A0A5K4EYG2_SCHMA Loading...

Tubulin tyrosine ligase-related

AlphaFold DB , UniProt , Accession A0A5K4EYG2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 660 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
1M48.5Very low63.4Low191 Ų19181.1 Ų81.194%0.94144%0.441SS*.  0146.10-92.4172.1177.400107.9Q8M1-Q8 WeakPolarHBondContact O-CB 3.38Å; M1-Q8 PolarHBondContact O-N 2.92Å; M1-Q8 VanDerWaalsContact O-N 3.13Å
2Q49.7Very low65.8Low151 Ų15188.3 Ų88.371%0.70646%0.464SS*.EExtended strand (participates in β ladder)trans-83.9128.9164.3-78.1176.6-13.500108.1A6Q2-A6 CarbonylContact C-O 3.53Å; Q2-A6 VanDerWaalsContact CA-O 3.24Å; Q2-A6 WeakPolarHBondContact CA-O 3.39Å
3V55Low67.8Low39 Ų3988.8 Ų88.824%0.23646%0.463CS..EExtended strand (participates in β ladder)trans-113.9122168.5177.90000105.6G5 A6V3-G5 PolarHBondContact O-N 2.89Å; V3-G5 VanDerWaalsContact O-N 3.17Å; V3-A6 PolarHBondContact N-O 3.13Å; V3-A6 PolarHBondContact O-N 3.24Å
4N55.3Low69.7Low92 Ų9282.4 Ų82.449%0.49243%0.43SS..THydrogen-bonded Turntrans48.741.5-177.5-62.64.9000114A6 E42 R204N4-A6 VanDerWaalsContact C-N 3.28Å; N4-A6 PolarHBondContact O-N 2.87Å; N4-E42 WeakPolarHBondContact CB-OE2 3.2Å; N4-E42 PolarHBondContact ND2-OE2 3.01Å; N4-R204 PolarHBondContact O-NH1 2.71Å
5G56.5Low71.5Confident56 Ų5679.1 Ų79.158%0.57741%0.412SS*.THydrogen-bonded Turntrans81.9-10.417800000116V3V3-G5 PolarHBondContact O-N 2.89Å; V3-G5 VanDerWaalsContact O-N 3.17Å
6A57Low72.8Confident0 Ų085.5 Ų85.50%044%0.436CS..EExtended strand (participates in β ladder)trans-95.4142.5175.200000111.7Q2 V3 N4 Q8 P203 R204Q2-A6 CarbonylContact C-O 3.53Å; Q2-A6 VanDerWaalsContact CA-O 3.24Å; Q2-A6 WeakPolarHBondContact CA-O 3.39Å; V3-A6 PolarHBondContact N-O 3.13Å; V3-A6 PolarHBondContact O-N 3.24Å; N4-A6 VanDerWaalsContact C-N 3.28Å; N4-A6 PolarHBondContact O-N 2.87Å; A6-Q8 PolarHBondContact O-N 3.1Å; A6-P203 HydrophobicContact CB-CB 4.15Å; A6-R204 HydrophobicContact CB-CG 3.74Å
7T61.7Low74Confident95 Ų9585.3 Ų85.358%0.58344%0.435SS*.EExtended strand (participates in β ladder)trans-59.6129.8164.9-26.70000108.4S9T7-S9 VanDerWaalsContact C-N 3.31Å; T7-S9 PolarHBondContact O-N 2.91Å
8Q64.6Low75.1Confident112 Ų11280.7 Ų80.752%0.52341%0.412SS..  trans-63.792.3177.4-165.1177.52100109.8M1 A6M1-Q8 WeakPolarHBondContact O-CB 3.38Å; M1-Q8 PolarHBondContact O-N 2.92Å; M1-Q8 VanDerWaalsContact O-N 3.13Å; A6-Q8 PolarHBondContact O-N 3.1Å
9S69.7Low76.2Confident6 Ų678.7 Ų78.74%0.04240%0.403CS..  trans-82.2131.9175.3127.10000108.1T7 E13 F14 H36T7-S9 VanDerWaalsContact C-N 3.31Å; T7-S9 PolarHBondContact O-N 2.91Å; S9-E13 WeakPolarHBondContact CA-OE2 3.4Å; S9-F14 PolarHBondContact OG-N 3.3Å; S9-H36 PolarHBondContact O-CE1 2.64Å; S9-H36 PolarHBondContact O-NE2 3.1Å; S9-H36 PolarHBondContact OG-NE2 3.23Å
10D86.4Confident77Confident93 Ų9381.8 Ų81.850%0.49742%0.42SS..  trans-73.1166.5168.879.915.2000110.4K12 E13 F14D10-K12 PolarHBondContact O-N 2.82Å; D10-K12 VanDerWaalsContact O-N 3.16Å; D10-K12 WeakPolarHBondContact OD1-CA 3.43Å; D10-K12 VanDerWaalsContact OD1-CB 3.32Å; D10-K12 WeakPolarHBondContact OD1-CB 3.38Å; D10-K12 PolarHBondContact OD1-N 3.41Å; D10-E13 PolarHBondContact O-N 3.04Å; D10-E13 VanDerWaalsContact O-N 3.16Å; D10-E13 PolarHBondContact OD1-N 3.46Å; D10-F14 PolarHBondContact O-N 3.49Å
11F92.4Very high77.7Confident57 Ų5780.2 Ų80.225%0.2541%0.411CS..Hα-helixtrans-59.8-28.9-179.1179.1-114.6000113.1F14 I15 W32 R33 H36F11-F14 HydrophobicContact CD2-CD1 4.17Å; F11-F14 HydrophobicContact CE2-CD1 4.14Å; F11-I15 HydrophobicContact CD2-CG1 4.35Å; F11-I15 HydrophobicContact CE1-CG1 4.07Å; F11-I15 HydrophobicContact CE2-CD1 3.81Å; F11-I15 HydrophobicContact CE2-CG1 3.85Å; F11-I15 HydrophobicContact CZ-CD1 3.79Å; F11-I15 HydrophobicContact CZ-CG1 3.71Å; F11-I15 WeakPolarHBondContact O-CG1 3.37Å; F11-I15 PolarHBondContact O-N 2.98Å; F11-I15 VanDerWaalsContact O-N 3.09Å; F11-W32 HydrophobicContact CE2-CB 4.2Å; F11-W32 HydrophobicContact CZ-CB 4.24Å; F11-R33 HydrophobicContact CD2-CB 4.4Å; F11-R33 VanDerWaalsContact CE2-CA 3.43Å; F11-R33 HydrophobicContact CE2-CB 3.96Å; F11-R33 HydrophobicContact CZ-CB 4.12Å; F11-H36 HydrophobicContact CD2-CB 4.09Å; F11-H36 AromaticContact CD2-ND1 3.96Å
12K92.3Very high80.1Confident167 Ų16771.1 Ų71.173%0.72637%0.366SS*.Hα-helixtrans-71.6-40.1178.7-66.3178.4177177.40110.9D10 I15 K16D10-K12 PolarHBondContact O-N 2.82Å; D10-K12 VanDerWaalsContact O-N 3.16Å; D10-K12 WeakPolarHBondContact OD1-CA 3.43Å; D10-K12 VanDerWaalsContact OD1-CB 3.32Å; D10-K12 WeakPolarHBondContact OD1-CB 3.38Å; D10-K12 PolarHBondContact OD1-N 3.41Å; K12-I15 PolarHBondContact O-N 3.05Å; K12-K16 WeakPolarHBondContact O-CB 3.48Å; K12-K16 PolarHBondContact O-N 3.02Å
13E92.1Very high82.3Confident95 Ų9571 Ų7144%0.44436%0.359SS..Hα-helixtrans-65.9-42.6174.7-172.5171.9-161.800111.4S9 D10 I15 K16 L17S9-E13 WeakPolarHBondContact CA-OE2 3.4Å; D10-E13 PolarHBondContact O-N 3.04Å; D10-E13 VanDerWaalsContact O-N 3.16Å; D10-E13 PolarHBondContact OD1-N 3.46Å; E13-I15 PolarHBondContact O-N 3.5Å; E13-K16 WeakPolarHBondContact O-CB 3.22Å; E13-K16 PolarHBondContact O-N 3.26Å; E13-L17 HydrophobicContact CG-CD1 4.16Å; E13-L17 WeakPolarHBondContact O-CG 3.47Å; E13-L17 PolarHBondContact O-N 3.49Å
14F94.7Very high84Confident0 Ų073.3 Ų73.30%038%0.382CS..Hα-helixtrans-54.1-50.9172.4172.4-101.2000111.9S9 D10 F11 K16 L17 H18 L22 H36 L39 F199 Y201S9-F14 PolarHBondContact OG-N 3.3Å; D10-F14 PolarHBondContact O-N 3.49Å; F11-F14 HydrophobicContact CD2-CD1 4.17Å; F11-F14 HydrophobicContact CE2-CD1 4.14Å; F14-K16 PolarHBondContact O-N 2.68Å; F14-L17 PolarHBondContact O-N 2.74Å; F14-H18 AromaticContact CD2-CE1 3.72Å; F14-H18 AromaticContact CD2-ND1 3.4Å; F14-H18 WeakPolarHBondContact CD2-ND1 3.41Å; F14-H18 HydrophobicContact CE2-CB 4.47Å; F14-H18 AromaticContact CE2-CE1 3.97Å; F14-H18 AromaticContact CE2-ND1 3.62Å; F14-H18 PolarHBondContact O-N 2.82Å; F14-H18 PolarHBondContact O-ND1 3.43Å; F14-L22 HydrophobicContact CE1-CD1 3.91Å; F14-L22 HydrophobicContact CZ-CD1 4.34Å; F14-L22 HydrophobicContact CZ-CD2 4.46Å; F14-H36 HydrophobicContact CB-CB 4.45Å; F14-H36 VanDerWaalsContact CB-CD2 3.47Å; F14-H36 WeakPolarHBondContact CB-CD2 3.24Å; F14-H36 HydrophobicContact CD1-CB 3.66Å; F14-H36 AromaticContact CD1-CG 3.98Å; F14-H36 HydrophobicContact CD2-CB 4.14Å; F14-H36 AromaticContact CD2-CD2 3.5Å; F14-H36 VanDerWaalsContact CD2-CD2 3.5Å; F14-H36 WeakPolarHBondContact CD2-CD2 3.46Å; F14-H36 HydrophobicContact CE1-CB 3.84Å; F14-H36 HydrophobicContact CE2-CB 4.31Å; F14-H36 HydrophobicContact CG-CB 3.81Å; F14-H36 AromaticContact CG-CD2 3.45Å; F14-H36 VanDerWaalsContact CG-CD2 3.45Å; F14-H36 WeakPolarHBondContact CG-CD2 3.42Å; F14-H36 AromaticContact CG-CG 3.67Å; F14-H36 HydrophobicContact CZ-CB 4.17Å; F14-L39 HydrophobicContact CE2-CD1 3.93Å; F14-L39 HydrophobicContact CZ-CD1 4.28Å; F14-F199 HydrophobicContact CE2-CE1 4.19Å; F14-F199 HydrophobicContact CE2-CZ 4.05Å; F14-F199 HydrophobicContact CZ-CE1 4.37Å; F14-F199 AromaticContact CZ-CZ 3.89Å; F14-F199 HydrophobicContact CZ-CZ 3.89Å; F14-Y201 AromaticContact CD2-CE2 3.99Å; F14-Y201 HydrophobicContact CD2-CE2 3.99Å; F14-Y201 HydrophobicContact CE2-CD2 4.24Å; F14-Y201 HydrophobicContact CE2-CE2 4.08Å
15I95.8Very high85.8Confident33 Ų3370 Ų7017%0.16937%0.366CS..Hα-helixtrans-61.8-44.9177.4-66.3-56.2000110.8F11 K12 E13 L17 H18 D19 L22 W32F11-I15 HydrophobicContact CD2-CG1 4.35Å; F11-I15 HydrophobicContact CE1-CG1 4.07Å; F11-I15 HydrophobicContact CE2-CD1 3.81Å; F11-I15 HydrophobicContact CE2-CG1 3.85Å; F11-I15 HydrophobicContact CZ-CD1 3.79Å; F11-I15 HydrophobicContact CZ-CG1 3.71Å; F11-I15 WeakPolarHBondContact O-CG1 3.37Å; F11-I15 PolarHBondContact O-N 2.98Å; F11-I15 VanDerWaalsContact O-N 3.09Å; K12-I15 PolarHBondContact O-N 3.05Å; E13-I15 PolarHBondContact O-N 3.5Å; I15-L17 PolarHBondContact O-N 2.96Å; I15-H18 PolarHBondContact O-N 2.87Å; I15-D19 HydrophobicContact CG2-CB 4.32Å; I15-D19 VanDerWaalsContact O-CB 3.28Å; I15-D19 WeakPolarHBondContact O-CB 3.29Å; I15-D19 PolarHBondContact O-N 3.08Å; I15-L22 HydrophobicContact CD1-CD1 3.78Å; I15-W32 HydrophobicContact CD1-CB 4.14Å; I15-W32 HydrophobicContact CD1-CD2 4.06Å; I15-W32 HydrophobicContact CD1-CE3 3.38Å; I15-W32 HydrophobicContact CD1-CG 4.43Å; I15-W32 HydrophobicContact CD1-CZ3 4.01Å
16K93.6Very high87.7Confident181 Ų18169 Ų6979%0.78736%0.356SS*.Hα-helixtrans-56.6-37.5178.7-175.3-174.9174.9-170.70112.7K12 E13 F14K12-K16 WeakPolarHBondContact O-CB 3.48Å; K12-K16 PolarHBondContact O-N 3.02Å; E13-K16 WeakPolarHBondContact O-CB 3.22Å; E13-K16 PolarHBondContact O-N 3.26Å; F14-K16 PolarHBondContact O-N 2.68Å
17L92Very high89.6Confident82 Ų8269.2 Ų69.243%0.42936%0.357SS..Hα-helixtrans-81.7-26.2-178.9-70.5173.3000113.7E13 F14 I15E13-L17 HydrophobicContact CG-CD1 4.16Å; E13-L17 WeakPolarHBondContact O-CG 3.47Å; E13-L17 PolarHBondContact O-N 3.49Å; F14-L17 PolarHBondContact O-N 2.74Å; I15-L17 PolarHBondContact O-N 2.96Å
18H95Very high91.3Very high2 Ų267.3 Ų67.31%0.00935%0.346CS..Hα-helixtrans-125.12.4-168.5-51.288.3000114.8F14 I15 D20 Q21 L22 F199 Y200 Y201 V202F14-H18 AromaticContact CD2-CE1 3.72Å; F14-H18 AromaticContact CD2-ND1 3.4Å; F14-H18 WeakPolarHBondContact CD2-ND1 3.41Å; F14-H18 HydrophobicContact CE2-CB 4.47Å; F14-H18 AromaticContact CE2-CE1 3.97Å; F14-H18 AromaticContact CE2-ND1 3.62Å; F14-H18 PolarHBondContact O-N 2.82Å; F14-H18 PolarHBondContact O-ND1 3.43Å; I15-H18 PolarHBondContact O-N 2.87Å; H18-D20 VanDerWaalsContact C-N 3.33Å; H18-D20 PolarHBondContact O-N 3.22Å; H18-Q21 PolarHBondContact O-N 2.76Å; H18-Q21 VanDerWaalsContact O-N 3.15Å; H18-L22 HydrophobicContact CB-CD1 4.12Å; H18-L22 HydrophobicContact CB-CG 4.25Å; H18-L22 WeakPolarHBondContact O-CB 3.46Å; H18-L22 VanDerWaalsContact O-CG 3.3Å; H18-L22 WeakPolarHBondContact O-CG 3.47Å; H18-L22 PolarHBondContact O-N 3.44Å; H18-F199 HydrophobicContact CB-CE2 4.49Å; H18-F199 HydrophobicContact CB-CZ 3.86Å; H18-F199 AromaticContact CD2-CE1 3.86Å; H18-F199 AromaticContact CD2-CZ 3.74Å; H18-F199 AromaticContact CG-CZ 3.91Å; H18-Y200 PolarHBondContact CD2-O 3.22Å; H18-Y201 AromaticContact CE1-CD2 3.87Å; H18-Y201 AromaticContact NE2-CD2 3.66Å; H18-V202 PolarHBondContact NE2-N 3.36Å; H18-V202 VanDerWaalsContact NE2-N 3.15Å
19D94.9Very high92.9Very high44 Ų4466.3 Ų66.324%0.23535%0.351CS..Hα-helixtrans-53.1-47.4-176.6-172.572.9000112.2I15 Q21 L22 R23I15-D19 HydrophobicContact CG2-CB 4.32Å; I15-D19 VanDerWaalsContact O-CB 3.28Å; I15-D19 WeakPolarHBondContact O-CB 3.29Å; I15-D19 PolarHBondContact O-N 3.08Å; D19-Q21 PolarHBondContact O-N 3.24Å; D19-L22 PolarHBondContact O-N 3.13Å; D19-R23 WeakPolarHBondContact O-CB 3.35Å; D19-R23 VanDerWaalsContact O-CG 3.31Å; D19-R23 WeakPolarHBondContact O-CG 3.4Å; D19-R23 PolarHBondContact O-N 3.36Å; D19-R23 IonicContact OD1-CZ 3.47Å; D19-R23 IonicContact OD1-NE 2.92Å; D19-R23 PolarHBondContact OD1-NE 3.16Å; D19-R23 IonicContact OD1-NH2 2.86Å; D19-R23 PolarHBondContact OD1-NH2 3.31Å; D19-R23 IonicContact OD2-CZ 2.61Å; D19-R23 IonicContact OD2-NE 2.83Å; D19-R23 PolarHBondContact OD2-NE 3.17Å; D19-R23 IonicContact OD2-NH2 3.14Å
20D92Very high94.2Very high139 Ų13970 Ų7074%0.74337%0.37SS*.Hα-helixtrans-59-47.2178.9-70-26000111.8H18 R23 A24H18-D20 VanDerWaalsContact C-N 3.33Å; H18-D20 PolarHBondContact O-N 3.22Å; D20-R23 PolarHBondContact O-N 2.85Å; D20-A24 WeakPolarHBondContact O-CB 3.29Å; D20-A24 PolarHBondContact O-N 2.94Å
21Q93.4Very high94.7Very high50 Ų5065.7 Ų65.723%0.23435%0.347CS..Hα-helixtrans-67.4-43.6178.6175.6173.9-14300111.9H18 D19 R23 A24 S25 F199 Y200H18-Q21 PolarHBondContact O-N 2.76Å; H18-Q21 VanDerWaalsContact O-N 3.15Å; D19-Q21 PolarHBondContact O-N 3.24Å; Q21-R23 VanDerWaalsContact C-N 3.27Å; Q21-R23 PolarHBondContact O-N 3.04Å; Q21-A24 PolarHBondContact O-N 3.27Å; Q21-S25 WeakPolarHBondContact O-CB 3.41Å; Q21-S25 PolarHBondContact O-N 3.22Å; Q21-S25 PolarHBondContact O-OG 3.18Å; Q21-S25 VanDerWaalsContact O-OG 3.1Å; Q21-F199 HydrophobicContact CG-CD2 4.01Å; Q21-F199 HydrophobicContact CG-CE2 4.02Å; Q21-Y200 PolarHBondContact NE2-O 3.48Å
22L97Very high95Very high0 Ų064 Ų640%034%0.339CS..Hα-helixtrans-58.5-42.2178.5-73.5164.6000111.1F14 I15 H18 D19 G26 I27 W32 L35 F199F14-L22 HydrophobicContact CE1-CD1 3.91Å; F14-L22 HydrophobicContact CZ-CD1 4.34Å; F14-L22 HydrophobicContact CZ-CD2 4.46Å; I15-L22 HydrophobicContact CD1-CD1 3.78Å; H18-L22 HydrophobicContact CB-CD1 4.12Å; H18-L22 HydrophobicContact CB-CG 4.25Å; H18-L22 WeakPolarHBondContact O-CB 3.46Å; H18-L22 VanDerWaalsContact O-CG 3.3Å; H18-L22 WeakPolarHBondContact O-CG 3.47Å; H18-L22 PolarHBondContact O-N 3.44Å; D19-L22 PolarHBondContact O-N 3.13Å; L22-G26 PolarHBondContact O-N 3.11Å; L22-I27 HydrophobicContact CD2-CB 4.37Å; L22-I27 HydrophobicContact CD2-CD1 3.98Å; L22-I27 HydrophobicContact CD2-CG2 4.41Å; L22-I27 PolarHBondContact O-N 3.27Å; L22-W32 HydrophobicContact CB-CD2 4.47Å; L22-W32 HydrophobicContact CB-CH2 4.43Å; L22-W32 HydrophobicContact CB-CZ2 3.76Å; L22-W32 HydrophobicContact CD1-CD2 3.92Å; L22-W32 HydrophobicContact CD1-CE3 4.27Å; L22-W32 HydrophobicContact CD1-CG 4.14Å; L22-W32 HydrophobicContact CD2-CG 4.25Å; L22-L35 HydrophobicContact CD2-CD2 3.93Å; L22-F199 HydrophobicContact CD2-CE2 3.55Å; L22-F199 HydrophobicContact CD2-CZ 4.07Å; L22-F199 HydrophobicContact CG-CE2 3.94Å; L22-F199 HydrophobicContact CG-CZ 4.37Å
23R96.2Very high95.2Very high149 Ų14963 Ų6356%0.56233%0.331SS*.Hα-helixtrans-73.9-46.8178.1-68.4179.9-168.9-69.9-12.2112.4D19 D20 Q21 S25 G26 W32D19-R23 WeakPolarHBondContact O-CB 3.35Å; D19-R23 VanDerWaalsContact O-CG 3.31Å; D19-R23 WeakPolarHBondContact O-CG 3.4Å; D19-R23 PolarHBondContact O-N 3.36Å; D19-R23 IonicContact OD1-CZ 3.47Å; D19-R23 IonicContact OD1-NE 2.92Å; D19-R23 PolarHBondContact OD1-NE 3.16Å; D19-R23 IonicContact OD1-NH2 2.86Å; D19-R23 PolarHBondContact OD1-NH2 3.31Å; D19-R23 IonicContact OD2-CZ 2.61Å; D19-R23 IonicContact OD2-NE 2.83Å; D19-R23 PolarHBondContact OD2-NE 3.17Å; D19-R23 IonicContact OD2-NH2 3.14Å; D20-R23 PolarHBondContact O-N 2.85Å; Q21-R23 VanDerWaalsContact C-N 3.27Å; Q21-R23 PolarHBondContact O-N 3.04Å; R23-S25 VanDerWaalsContact C-N 3.3Å; R23-S25 PolarHBondContact O-N 3.42Å; R23-G26 WeakPolarHBondContact O-CA 3.22Å; R23-G26 PolarHBondContact O-N 2.93Å; R23-W32 HydrophobicContact CG-CH2 4.16Å; R23-W32 HydrophobicContact CG-CZ2 4.23Å
24A92.2Very high95.4Very high87 Ų8761 Ų6172%0.71932%0.319SS*.Hα-helixtrans-62.1-40179.700000111.6D20 Q21 G26D20-A24 WeakPolarHBondContact O-CB 3.29Å; D20-A24 PolarHBondContact O-N 2.94Å; Q21-A24 PolarHBondContact O-N 3.27Å; A24-G26 PolarHBondContact O-N 3.16Å
25S93.2Very high95.6Very high22 Ų2261.1 Ų61.115%0.15432%0.319CS..THydrogen-bonded Turntrans-75.8-3.5173.9-60.10000113.2Q21 R23 I27 R195Q21-S25 WeakPolarHBondContact O-CB 3.41Å; Q21-S25 PolarHBondContact O-N 3.22Å; Q21-S25 PolarHBondContact O-OG 3.18Å; Q21-S25 VanDerWaalsContact O-OG 3.1Å; R23-S25 VanDerWaalsContact C-N 3.3Å; R23-S25 PolarHBondContact O-N 3.42Å; S25-I27 VanDerWaalsContact C-N 3.27Å; S25-I27 PolarHBondContact O-N 2.84Å; S25-R195 PolarHBondContact O-NH1 2.99Å
26G95.4Very high95.6Very high35 Ų3560.1 Ų60.136%0.36131%0.314SS..THydrogen-bonded Turntrans61.131.4177.700000114.1L22 R23 A24 P28L22-G26 PolarHBondContact O-N 3.11Å; R23-G26 WeakPolarHBondContact O-CA 3.22Å; R23-G26 PolarHBondContact O-N 2.93Å; A24-G26 PolarHBondContact O-N 3.16Å; G26-P28 VanDerWaalsContact O-CD 3.3Å; G26-P28 WeakPolarHBondContact O-CD 3.18Å
27I97.4Very high95.7Very high5 Ų554.9 Ų54.93%0.02629%0.293CS..  trans-73.5120.5175.6-62.6169.5000107.8L22 S25 S29 F31 W32 L35 I95 V197 F199 W212L22-I27 HydrophobicContact CD2-CB 4.37Å; L22-I27 HydrophobicContact CD2-CD1 3.98Å; L22-I27 HydrophobicContact CD2-CG2 4.41Å; L22-I27 PolarHBondContact O-N 3.27Å; S25-I27 VanDerWaalsContact C-N 3.27Å; S25-I27 PolarHBondContact O-N 2.84Å; I27-S29 PolarHBondContact O-N 2.96Å; I27-F31 HydrophobicContact CG2-CB 4.37Å; I27-W32 PolarHBondContact O-NE1 2.77Å; I27-L35 HydrophobicContact CD1-CD2 4.11Å; I27-L35 HydrophobicContact CG2-CD2 4.48Å; I27-I95 HydrophobicContact CG2-CD1 3.81Å; I27-V197 HydrophobicContact CD1-CG2 4.03Å; I27-V197 HydrophobicContact CG1-CG2 4.08Å; I27-F199 HydrophobicContact CD1-CD2 3.84Å; I27-F199 HydrophobicContact CD1-CE2 4.21Å; I27-W212 HydrophobicContact CB-CH2 4.34Å; I27-W212 HydrophobicContact CD1-CZ3 4.5Å; I27-W212 HydrophobicContact CG1-CH2 3.58Å; I27-W212 HydrophobicContact CG1-CZ2 4.35Å; I27-W212 HydrophobicContact CG1-CZ3 3.71Å
28P97.5Very high95.9Very high54 Ų5451 Ų5135%0.35127%0.272SS..  trans-57.9138179.3-27.734.7000113.3G26 L30 F31 W32G26-P28 VanDerWaalsContact O-CD 3.3Å; G26-P28 WeakPolarHBondContact O-CD 3.18Å; P28-L30 PolarHBondContact O-N 2.95Å; P28-L30 VanDerWaalsContact O-N 3.09Å; P28-F31 HydrophobicContact CB-CD2 3.73Å; P28-F31 HydrophobicContact CB-CE2 3.95Å; P28-F31 HydrophobicContact CG-CD2 3.87Å; P28-F31 HydrophobicContact CG-CE2 3.81Å; P28-F31 PolarHBondContact O-N 3.11Å; P28-W32 PolarHBondContact O-NE1 3.23Å
29S97Very high95.9Very high91 Ų9150.9 Ų50.964%0.63627%0.272SS*.G310 helixtrans-60.7-24.7-175.5600000114.4I27 F31 W32I27-S29 PolarHBondContact O-N 2.96Å; S29-F31 PolarHBondContact O-N 3.12Å; S29-W32 PolarHBondContact O-N 3.3Å
30L97.2Very high95.7Very high85 Ų8549.4 Ų49.445%0.44526%0.263SS..G310 helixtrans-55.9-35.2173.3177.768.3000112.1P28 S90 S92P28-L30 PolarHBondContact O-N 2.95Å; P28-L30 VanDerWaalsContact O-N 3.09Å; L30-S90 WeakPolarHBondContact CD2-O 3.45Å; L30-S92 WeakPolarHBondContact O-CB 3.31Å
31F98Very high95.8Very high1 Ų147 Ų470%0.00425%0.247CC..G310 helixtrans-86.7-16.6-175.3-63-55.1000114.1I27 P28 S29 R33 R34 L35 D91 N94 I95 W212I27-F31 HydrophobicContact CG2-CB 4.37Å; P28-F31 HydrophobicContact CB-CD2 3.73Å; P28-F31 HydrophobicContact CB-CE2 3.95Å; P28-F31 HydrophobicContact CG-CD2 3.87Å; P28-F31 HydrophobicContact CG-CE2 3.81Å; P28-F31 PolarHBondContact O-N 3.11Å; S29-F31 PolarHBondContact O-N 3.12Å; F31-R33 VanDerWaalsContact C-N 3.32Å; F31-R33 PolarHBondContact O-N 2.96Å; F31-R34 PolarHBondContact O-N 3.47Å; F31-R34 VanDerWaalsContact O-N 3.11Å; F31-L35 WeakPolarHBondContact O-CB 3.29Å; F31-L35 PolarHBondContact O-N 2.98Å; F31-D91 WeakPolarHBondContact CE1-O 3.14Å; F31-N94 HydrophobicContact CE1-CB 4.47Å; F31-I95 HydrophobicContact CB-CB 3.97Å; F31-I95 HydrophobicContact CB-CD1 3.45Å; F31-I95 VanDerWaalsContact CB-CD1 3.45Å; F31-I95 HydrophobicContact CB-CG1 4.32Å; F31-I95 HydrophobicContact CB-CG2 3.94Å; F31-I95 HydrophobicContact CD1-CB 3.81Å; F31-I95 HydrophobicContact CD1-CG2 4.03Å; F31-I95 HydrophobicContact CD2-CD1 4.29Å; F31-I95 HydrophobicContact CE1-CB 4.48Å; F31-I95 HydrophobicContact CG-CB 3.93Å; F31-I95 HydrophobicContact CG-CD1 3.95Å; F31-I95 HydrophobicContact CG-CG2 4.27Å; F31-W212 HydrophobicContact CD2-CB 4.36Å; F31-W212 HydrophobicContact CD2-CG 4.21Å; F31-W212 HydrophobicContact CE2-CB 3.92Å; F31-W212 AromaticContact CE2-CD1 3.56Å; F31-W212 AromaticContact CE2-CG 3.81Å; F31-W212 HydrophobicContact CE2-CG 3.81Å; F31-W212 HydrophobicContact CZ-CB 4.15Å; F31-W212 HydrophobicContact CZ-CG 4.48Å
32W97.8Very high95.7Very high23 Ų2347.8 Ų47.89%0.08725%0.251CS..Hα-helixtrans-59.1-40.1-168.2-66.40.2000113.6F11 I15 L22 R23 I27 P28 S29 H36F11-W32 HydrophobicContact CE2-CB 4.2Å; F11-W32 HydrophobicContact CZ-CB 4.24Å; I15-W32 HydrophobicContact CD1-CB 4.14Å; I15-W32 HydrophobicContact CD1-CD2 4.06Å; I15-W32 HydrophobicContact CD1-CE3 3.38Å; I15-W32 HydrophobicContact CD1-CG 4.43Å; I15-W32 HydrophobicContact CD1-CZ3 4.01Å; L22-W32 HydrophobicContact CB-CD2 4.47Å; L22-W32 HydrophobicContact CB-CH2 4.43Å; L22-W32 HydrophobicContact CB-CZ2 3.76Å; L22-W32 HydrophobicContact CD1-CD2 3.92Å; L22-W32 HydrophobicContact CD1-CE3 4.27Å; L22-W32 HydrophobicContact CD1-CG 4.14Å; L22-W32 HydrophobicContact CD2-CG 4.25Å; R23-W32 HydrophobicContact CG-CH2 4.16Å; R23-W32 HydrophobicContact CG-CZ2 4.23Å; I27-W32 PolarHBondContact O-NE1 2.77Å; P28-W32 PolarHBondContact O-NE1 3.23Å; S29-W32 PolarHBondContact O-N 3.3Å; W32-H36 PolarHBondContact O-N 3.34Å
33R96.6Very high95.6Very high146 Ų14650.2 Ų50.255%0.55126%0.264SS*.Hα-helixtrans-65.3-46.1178.3-179.9174.9-67.5-107.4-2111.3F11 F31 H36 E37F11-R33 HydrophobicContact CD2-CB 4.4Å; F11-R33 VanDerWaalsContact CE2-CA 3.43Å; F11-R33 HydrophobicContact CE2-CB 3.96Å; F11-R33 HydrophobicContact CZ-CB 4.12Å; F31-R33 VanDerWaalsContact C-N 3.32Å; F31-R33 PolarHBondContact O-N 2.96Å; R33-H36 WeakPolarHBondContact O-CB 3.46Å; R33-H36 PolarHBondContact O-N 3.13Å; R33-E37 WeakPolarHBondContact O-CG 3.45Å; R33-E37 PolarHBondContact O-N 3.16Å; R33-E37 VanDerWaalsContact O-N 3.15Å
34R97.3Very high95.5Very high53 Ų5347.5 Ų47.520%0.225%0.254CS..Hα-helixtrans-66.5-42.2179.1-172.169.1179.7144.82.4111.1F31 H36 E37 K38 D45 S92 N93 I95F31-R34 PolarHBondContact O-N 3.47Å; F31-R34 VanDerWaalsContact O-N 3.11Å; R34-H36 VanDerWaalsContact C-N 3.32Å; R34-H36 PolarHBondContact O-N 2.96Å; R34-E37 IonicContact CZ-OE2 3.63Å; R34-E37 IonicContact NH1-OE2 2.73Å; R34-E37 PolarHBondContact NH1-OE2 2.86Å; R34-E37 WeakPolarHBondContact O-CB 3.33Å; R34-E37 PolarHBondContact O-N 2.98Å; R34-E37 VanDerWaalsContact O-N 3.17Å; R34-K38 HydrophobicContact CG-CD 4.45Å; R34-K38 HydrophobicContact CG-CG 4.41Å; R34-K38 WeakPolarHBondContact O-CG 3.39Å; R34-K38 PolarHBondContact O-N 3.5Å; R34-D45 IonicContact NH2-OD2 3.38Å; R34-S92 VanDerWaalsContact CB-O 3.27Å; R34-S92 WeakPolarHBondContact CB-O 3.42Å; R34-N93 PolarHBondContact NE-OD1 3.07Å; R34-I95 HydrophobicContact CB-CG2 4.08Å; R34-I95 HydrophobicContact CG-CG2 4.09Å
35L97.5Very high95.6Very high1 Ų144.6 Ų44.61%0.00523%0.227CC..Hα-helixtrans-57.1-45.4175.4178.757.5000111.6L22 I27 F31 E37 K38 L39 I95 L97 F199 V210L22-L35 HydrophobicContact CD2-CD2 3.93Å; I27-L35 HydrophobicContact CD1-CD2 4.11Å; I27-L35 HydrophobicContact CG2-CD2 4.48Å; F31-L35 WeakPolarHBondContact O-CB 3.29Å; F31-L35 PolarHBondContact O-N 2.98Å; L35-E37 PolarHBondContact O-N 3.19Å; L35-K38 PolarHBondContact O-N 3.45Å; L35-L39 HydrophobicContact CD1-CD1 3.86Å; L35-L39 HydrophobicContact CD1-CG 3.99Å; L35-L39 HydrophobicContact CG-CD1 3.82Å; L35-L39 HydrophobicContact CG-CG 4.4Å; L35-L39 WeakPolarHBondContact O-CB 3.33Å; L35-L39 WeakPolarHBondContact O-CG 3.27Å; L35-L39 PolarHBondContact O-N 3.13Å; L35-I95 HydrophobicContact CB-CD1 4.22Å; L35-I95 HydrophobicContact CB-CG2 4.49Å; L35-I95 HydrophobicContact CD1-CD1 4.49Å; L35-I95 HydrophobicContact CD2-CD1 4.21Å; L35-L97 HydrophobicContact CD1-CD2 3.63Å; L35-F199 HydrophobicContact CD2-CD2 4.47Å; L35-F199 HydrophobicContact CD2-CE2 4.29Å; L35-F199 HydrophobicContact CD2-CZ 4.45Å; L35-V210 HydrophobicContact CD1-CG1 3.88Å; L35-V210 HydrophobicContact CD1-CG2 3.83Å; L35-V210 HydrophobicContact CD2-CG1 4.47Å
36H96.2Very high95.7Very high13 Ų1344 Ų446%0.0622%0.223CC..Hα-helixtrans-57.4-47.6174.7175.2-129.2000112.3S9 F11 F14 W32 R33 R34 K38 L39 L40S9-H36 PolarHBondContact O-CE1 2.64Å; S9-H36 PolarHBondContact O-NE2 3.1Å; S9-H36 PolarHBondContact OG-NE2 3.23Å; F11-H36 HydrophobicContact CD2-CB 4.09Å; F11-H36 AromaticContact CD2-ND1 3.96Å; F14-H36 HydrophobicContact CB-CB 4.45Å; F14-H36 VanDerWaalsContact CB-CD2 3.47Å; F14-H36 WeakPolarHBondContact CB-CD2 3.24Å; F14-H36 HydrophobicContact CD1-CB 3.66Å; F14-H36 AromaticContact CD1-CG 3.98Å; F14-H36 HydrophobicContact CD2-CB 4.14Å; F14-H36 AromaticContact CD2-CD2 3.5Å; F14-H36 VanDerWaalsContact CD2-CD2 3.5Å; F14-H36 WeakPolarHBondContact CD2-CD2 3.46Å; F14-H36 HydrophobicContact CE1-CB 3.84Å; F14-H36 HydrophobicContact CE2-CB 4.31Å; F14-H36 HydrophobicContact CG-CB 3.81Å; F14-H36 AromaticContact CG-CD2 3.45Å; F14-H36 VanDerWaalsContact CG-CD2 3.45Å; F14-H36 WeakPolarHBondContact CG-CD2 3.42Å; F14-H36 AromaticContact CG-CG 3.67Å; F14-H36 HydrophobicContact CZ-CB 4.17Å; W32-H36 PolarHBondContact O-N 3.34Å; R33-H36 WeakPolarHBondContact O-CB 3.46Å; R33-H36 PolarHBondContact O-N 3.13Å; R34-H36 VanDerWaalsContact C-N 3.32Å; R34-H36 PolarHBondContact O-N 2.96Å; H36-K38 VanDerWaalsContact C-N 3.35Å; H36-K38 PolarHBondContact O-N 3.33Å; H36-L39 PolarHBondContact O-N 3.46Å; H36-L40 VanDerWaalsContact O-CB 3.24Å; H36-L40 WeakPolarHBondContact O-CB 3.49Å; H36-L40 PolarHBondContact O-N 3.45Å
37E95.4Very high95.5Very high71 Ų7148.1 Ų48.133%0.33224%0.237SC..Hα-helixtrans-59.7-44.8177.1-69.3169-170.900111.7R33 R34 L35 L40 H41R33-E37 WeakPolarHBondContact O-CG 3.45Å; R33-E37 PolarHBondContact O-N 3.16Å; R33-E37 VanDerWaalsContact O-N 3.15Å; R34-E37 IonicContact CZ-OE2 3.63Å; R34-E37 IonicContact NH1-OE2 2.73Å; R34-E37 PolarHBondContact NH1-OE2 2.86Å; R34-E37 WeakPolarHBondContact O-CB 3.33Å; R34-E37 PolarHBondContact O-N 2.98Å; R34-E37 VanDerWaalsContact O-N 3.17Å; L35-E37 PolarHBondContact O-N 3.19Å; E37-L40 PolarHBondContact O-N 3.37Å; E37-H41 WeakPolarHBondContact O-CB 3.36Å; E37-H41 PolarHBondContact O-CD2 2.85Å; E37-H41 VanDerWaalsContact O-CD2 3.29Å; E37-H41 PolarHBondContact O-N 3.12Å
38K96.3Very high95.4Very high0 Ų052 Ų520%026%0.261CS..Hα-helixtrans-65.1-41.6179.2-64.8-167.9179.4-173.50112R34 L35 H36 E42 I43 D45 N93 I95 L97R34-K38 HydrophobicContact CG-CD 4.45Å; R34-K38 HydrophobicContact CG-CG 4.41Å; R34-K38 WeakPolarHBondContact O-CG 3.39Å; R34-K38 PolarHBondContact O-N 3.5Å; L35-K38 PolarHBondContact O-N 3.45Å; H36-K38 VanDerWaalsContact C-N 3.35Å; H36-K38 PolarHBondContact O-N 3.33Å; K38-E42 CarbonylContact O-C 3.45Å; K38-E42 WeakPolarHBondContact O-CA 3.19Å; K38-E42 PolarHBondContact O-N 3.02Å; K38-I43 HydrophobicContact CB-CB 4.15Å; K38-I43 HydrophobicContact CG-CB 4Å; K38-I43 HydrophobicContact CG-CG2 4.38Å; K38-I43 PolarHBondContact O-N 3.29Å; K38-D45 WeakPolarHBondContact CE-OD1 3.36Å; K38-D45 WeakPolarHBondContact CE-OD2 3.37Å; K38-D45 IonicContact NZ-OD1 2.81Å; K38-D45 PolarHBondContact NZ-OD1 2.8Å; K38-D45 IonicContact NZ-OD2 3.52Å; K38-D45 PolarHBondContact NZ-OD2 3.17Å; K38-N93 PolarHBondContact NZ-O 2.94Å; K38-I95 WeakPolarHBondContact CD-O 3.43Å; K38-I95 VanDerWaalsContact CE-O 3.31Å; K38-I95 WeakPolarHBondContact CE-O 3.35Å; K38-I95 PolarHBondContact NZ-O 3.19Å; K38-L97 HydrophobicContact CB-CD1 3.86Å; K38-L97 HydrophobicContact CB-CG 4.03Å; K38-L97 WeakPolarHBondContact O-CD1 3.3Å
39L94.9Very high95.3Very high0 Ų050 Ų500%025%0.248CC..Hα-helixtrans-68.8-40.4177-72.3168.1000112.5F14 L35 H36 H41 L97 F199 Y201 Y208F14-L39 HydrophobicContact CE2-CD1 3.93Å; F14-L39 HydrophobicContact CZ-CD1 4.28Å; L35-L39 HydrophobicContact CD1-CD1 3.86Å; L35-L39 HydrophobicContact CD1-CG 3.99Å; L35-L39 HydrophobicContact CG-CD1 3.82Å; L35-L39 HydrophobicContact CG-CG 4.4Å; L35-L39 WeakPolarHBondContact O-CB 3.33Å; L35-L39 WeakPolarHBondContact O-CG 3.27Å; L35-L39 PolarHBondContact O-N 3.13Å; H36-L39 PolarHBondContact O-N 3.46Å; L39-H41 VanDerWaalsContact C-N 3.34Å; L39-L97 HydrophobicContact CD2-CD1 4.02Å; L39-L97 HydrophobicContact CD2-CD2 3.69Å; L39-L97 HydrophobicContact CG-CD1 4.38Å; L39-L97 HydrophobicContact CG-CD2 4.06Å; L39-F199 HydrophobicContact CD1-CD1 3.78Å; L39-F199 HydrophobicContact CD1-CE1 3.46Å; L39-F199 VanDerWaalsContact CD1-CE1 3.46Å; L39-F199 HydrophobicContact CD1-CZ 4.33Å; L39-Y201 HydrophobicContact CB-CD1 4.25Å; L39-Y201 HydrophobicContact CB-CD2 4.14Å; L39-Y201 HydrophobicContact CB-CE1 4.17Å; L39-Y201 HydrophobicContact CB-CE2 4.07Å; L39-Y201 HydrophobicContact CB-CG 4.24Å; L39-Y201 HydrophobicContact CD1-CD2 3.86Å; L39-Y201 HydrophobicContact CD1-CE2 4.32Å; L39-Y201 HydrophobicContact CD1-CG 4.26Å; L39-Y201 HydrophobicContact CD2-CG 4.3Å; L39-Y201 HydrophobicContact CG-CD2 4.47Å; L39-Y208 HydrophobicContact CD2-CD2 3.57Å; L39-Y208 HydrophobicContact CD2-CE2 3.91Å; L39-Y208 HydrophobicContact CD2-CG 4.02Å
40L91.9Very high95.2Very high12 Ų1245.9 Ų45.96%0.06322%0.219CC..Hα-helixtrans-63.8-42.7178.8-177.162.1000110.9H36 E37 R204H36-L40 VanDerWaalsContact O-CB 3.24Å; H36-L40 WeakPolarHBondContact O-CB 3.49Å; H36-L40 PolarHBondContact O-N 3.45Å; E37-L40 PolarHBondContact O-N 3.37Å; L40-R204 PolarHBondContact O-NH2 3.43Å
41H93Very high95.1Very high88 Ų8845.6 Ų45.641%0.40722%0.217SC..Hα-helixtrans-104.13.5-173.1-61.2-56.3000115.2E37 L39 I43E37-H41 WeakPolarHBondContact O-CB 3.36Å; E37-H41 PolarHBondContact O-CD2 2.85Å; E37-H41 VanDerWaalsContact O-CD2 3.29Å; E37-H41 PolarHBondContact O-N 3.12Å; L39-H41 VanDerWaalsContact C-N 3.34Å; H41-I43 HydrophobicContact CB-CD1 3.93Å; H41-I43 HydrophobicContact CB-CG1 3.8Å; H41-I43 PolarHBondContact O-N 3.02Å
42E91.2Very high94.9Very high68 Ų6849.8 Ų49.832%0.31824%0.237SC..THydrogen-bonded Turntrans51.850.5-175.4-76163.212700113.6N4 K38 Y44 R204N4-E42 WeakPolarHBondContact CB-OE2 3.2Å; N4-E42 PolarHBondContact ND2-OE2 3.01Å; K38-E42 CarbonylContact O-C 3.45Å; K38-E42 WeakPolarHBondContact O-CA 3.19Å; K38-E42 PolarHBondContact O-N 3.02Å; E42-Y44 HydrophobicContact CB-CE2 4.03Å; E42-Y44 HydrophobicContact CG-CE2 4.43Å; E42-Y44 WeakPolarHBondContact O-CD2 3.49Å; E42-Y44 PolarHBondContact O-N 3.16Å; E42-R204 VanDerWaalsContact CD-CZ 3.41Å; E42-R204 VanDerWaalsContact CD-NH2 3.3Å; E42-R204 IonicContact OE1-CZ 2.93Å; E42-R204 IonicContact OE1-NH1 3.61Å; E42-R204 PolarHBondContact OE1-NH1 3.39Å; E42-R204 IonicContact OE2-CZ 3.94Å; E42-R204 VanDerWaalsContact OE2-CZ 3.26Å; E42-R204 IonicContact OE2-NH1 2.89Å; E42-R204 PolarHBondContact OE2-NH1 3.46Å; E42-R204 IonicContact OE2-NH2 2.8Å; E42-R204 PolarHBondContact OE2-NH2 2.89Å
43I95.6Very high94.7Very high51 Ų5152.7 Ų52.726%0.26225%0.252SS..  trans-85.7101-179.7-56.9172000108.6K38 H41 D45K38-I43 HydrophobicContact CB-CB 4.15Å; K38-I43 HydrophobicContact CG-CB 4Å; K38-I43 HydrophobicContact CG-CG2 4.38Å; K38-I43 PolarHBondContact O-N 3.29Å; H41-I43 HydrophobicContact CB-CD1 3.93Å; H41-I43 HydrophobicContact CB-CG1 3.8Å; H41-I43 PolarHBondContact O-N 3.02Å; I43-D45 HydrophobicContact CG2-CB 3.91Å
44Y94.2Very high94.4Very high91 Ų9149.3 Ų49.336%0.35724%0.242SC..  trans-95.886.7169.3-60.2-85.2000109.6E42 L97 D99 Y208E42-Y44 HydrophobicContact CB-CE2 4.03Å; E42-Y44 HydrophobicContact CG-CE2 4.43Å; E42-Y44 WeakPolarHBondContact O-CD2 3.49Å; E42-Y44 PolarHBondContact O-N 3.16Å; Y44-L97 HydrophobicContact CD1-CB 3.93Å; Y44-L97 HydrophobicContact CE1-CB 3.9Å; Y44-D99 HydrophobicContact CE1-CB 4.04Å; Y44-Y208 WeakPolarHBondContact OH-CE1 3.3Å
45D95.3Very high93.8Very high26 Ų2650.3 Ų50.314%0.13925%0.251CS..  trans-110.514.6-174.561.4-7.7000113.3R34 K38 I43 N47 T48R34-D45 IonicContact NH2-OD2 3.38Å; K38-D45 WeakPolarHBondContact CE-OD1 3.36Å; K38-D45 WeakPolarHBondContact CE-OD2 3.37Å; K38-D45 IonicContact NZ-OD1 2.81Å; K38-D45 PolarHBondContact NZ-OD1 2.8Å; K38-D45 IonicContact NZ-OD2 3.52Å; K38-D45 PolarHBondContact NZ-OD2 3.17Å; I43-D45 HydrophobicContact CG2-CB 3.91Å; D45-N47 PolarHBondContact O-N 2.8Å; D45-T48 HydrophobicContact CB-CG2 4.27Å; D45-T48 WeakPolarHBondContact O-CB 3.14Å; D45-T48 WeakPolarHBondContact O-CG2 2.93Å; D45-T48 PolarHBondContact O-N 2.97Å; D45-T48 PolarHBondContact O-OG1 2.89Å
46A94.5Very high93.1Very high9 Ų955.3 Ų55.37%0.07427%0.274CS..G310 helixtrans-54.8-38.4178.800000112.1T48 S49 V50 F96 F211A46-T48 PolarHBondContact O-N 2.94Å; A46-S49 PolarHBondContact O-N 2.91Å; A46-V50 HydrophobicContact CB-CG2 4.09Å; A46-V50 WeakPolarHBondContact O-CG2 3.36Å; A46-V50 PolarHBondContact O-N 3.02Å; A46-F96 HydrophobicContact CB-CB 4.2Å; A46-F96 HydrophobicContact CB-CD1 4.09Å; A46-F96 HydrophobicContact CB-CG 4.28Å; A46-F211 HydrophobicContact CB-CE1 4.47Å; A46-F211 HydrophobicContact CB-CZ 4.45Å
47N92Very high92.3Very high122 Ų12259.1 Ų59.165%0.65229%0.289SS*.G310 helixtrans-60.6-15.8178.268.5-28.2000115D45 S49 V50D45-N47 PolarHBondContact O-N 2.8Å; N47-S49 VanDerWaalsContact C-N 3.27Å; N47-V50 WeakPolarHBondContact CA-O 3.47Å
48T93.6Very high91.1Very high86 Ų8658.4 Ų58.453%0.52829%0.289SS..G310 helixtrans-76.2-20173.6670000112.6D45 A46D45-T48 HydrophobicContact CB-CG2 4.27Å; D45-T48 WeakPolarHBondContact O-CB 3.14Å; D45-T48 WeakPolarHBondContact O-CG2 2.93Å; D45-T48 PolarHBondContact O-N 2.97Å; D45-T48 PolarHBondContact O-OG1 2.89Å; A46-T48 PolarHBondContact O-N 2.94Å
49S95.4Very high89.6Confident13 Ų1363 Ų639%0.09131%0.314CS..THydrogen-bonded Turntrans-124.1-30.8-168.7-62.90000112.9A46 N47 V82 C83 S84A46-S49 PolarHBondContact O-N 2.91Å; N47-S49 VanDerWaalsContact C-N 3.27Å; S49-V82 CarbonylContact O-C 3.59Å; S49-V82 WeakPolarHBondContact O-CA 3.42Å; S49-C83 PolarHBondContact O-N 2.82Å; S49-C83 PolarHBondContact O-SG 2.8Å; S49-S84 PolarHBondContact O-N 2.99Å
50V95.9Very high87.6Confident5 Ų569.1 Ų69.13%0.0335%0.346CS..EExtended strand (participates in β ladder)trans-127.9156.4-179.9-53.10000111.9A46 N47 I80 L81 C83 V182 F211 I223A46-V50 HydrophobicContact CB-CG2 4.09Å; A46-V50 WeakPolarHBondContact O-CG2 3.36Å; A46-V50 PolarHBondContact O-N 3.02Å; N47-V50 WeakPolarHBondContact CA-O 3.47Å; V50-I80 HydrophobicContact CB-CG2 3.79Å; V50-I80 HydrophobicContact CG1-CG2 4.31Å; V50-I80 HydrophobicContact CG2-CG2 4.02Å; V50-L81 CarbonylContact C-O 3.54Å; V50-L81 WeakPolarHBondContact CA-O 3.36Å; V50-C83 PolarHBondContact N-SG 2.83Å; V50-V182 HydrophobicContact CG2-CG1 4.3Å; V50-F211 HydrophobicContact CG2-CZ 4.44Å; V50-I223 HydrophobicContact CG1-CD1 4.42Å; V50-I223 HydrophobicContact CG1-CG1 3.94Å
51M95.4Very high85.5Confident79 Ų7977.8 Ų77.839%0.38939%0.386SS..EExtended strand (participates in β ladder)trans-137.5151.8176.169.3-179.7-148.200111.4I80 L81 C83M51-I80 WeakPolarHBondContact O-CA 3.09Å; M51-L81 HydrophobicContact CE-CB 4.43Å; M51-L81 HydrophobicContact CE-CD1 4.1Å; M51-L81 HydrophobicContact CG-CB 4.24Å; M51-L81 PolarHBondContact N-O 3.14Å; M51-L81 PolarHBondContact O-N 3.24Å; M51-C83 HydrophobicContact CB-CB 4.07Å; M51-C83 HydrophobicContact CG-CB 3.96Å; M51-C83 HydrophobicContact SD-CB 3.93Å
52M93.7Very high83.1Confident89 Ų8976.5 Ų76.544%0.43840%0.397SS..EExtended strand (participates in β ladder)trans-87131.4172.9-63.9-176.1-72.700109.9W78 I80 E181 V182M52-W78 HydrophobicContact CB-CE3 4.16Å; M52-W78 HydrophobicContact CB-CZ3 4.06Å; M52-I80 HydrophobicContact CB-CD1 4.21Å; M52-I80 HydrophobicContact CG-CD1 3.48Å; M52-I80 VanDerWaalsContact CG-CD1 3.48Å; M52-E181 HydrophobicContact CE-CB 4.4Å; M52-E181 HydrophobicContact SD-CB 4.08Å; M52-V182 HydrophobicContact SD-CG2 4.41Å
53Q93.1Very high80.7Confident83 Ų8380 Ų8039%0.38842%0.418SS..EExtended strand (participates in β ladder)trans-120.5128.2170.2-178-178.952.600108.9W78 N79 L81Q53-W78 CarbonylContact O-C 3.54Å; Q53-W78 WeakPolarHBondContact O-CA 3.38Å; Q53-N79 PolarHBondContact N-O 3.11Å; Q53-N79 PolarHBondContact O-N 3.14Å; Q53-L81 HydrophobicContact CB-CD1 4.24Å
54Q89.3Confident78.1Confident75 Ų7585 Ų8535%0.3545%0.446SS..EExtended strand (participates in β ladder)trans-92.6132.7169.9-169.9170.631.300109.2E56 D77 W78Q54-E56 HydrophobicContact CG-CG 4.37Å; Q54-D77 CarbonylContact C-O 3.5Å; Q54-D77 WeakPolarHBondContact CA-O 3.38Å; Q54-W78 HydrophobicContact CB-CD2 4.1Å; Q54-W78 HydrophobicContact CB-CE3 3.95Å; Q54-W78 HydrophobicContact CB-CH2 3.89Å; Q54-W78 HydrophobicContact CB-CZ2 4.04Å; Q54-W78 HydrophobicContact CB-CZ3 3.84Å; Q54-W78 VanDerWaalsContact CD-CZ2 3.46Å; Q54-W78 HydrophobicContact CG-CD2 4.21Å; Q54-W78 HydrophobicContact CG-CH2 4.29Å; Q54-W78 HydrophobicContact CG-CZ2 3.93Å
55I85.5Confident75.6Confident74 Ų7487.2 Ų87.238%0.37946%0.463SS..EExtended strand (participates in β ladder)trans-109.6118.9175.9-56.8172.1000106.3Y57 R76 D77 N79I55-Y57 HydrophobicContact CG2-CD1 4.37Å; I55-R76 WeakPolarHBondContact O-CA 3.3Å; I55-D77 PolarHBondContact N-O 3.35Å; I55-D77 PolarHBondContact O-N 3.01Å; I55-N79 HydrophobicContact CD1-CB 4.29Å
56E83.1Confident73Confident106 Ų10694.3 Ų94.350%0.49550%0.496SS..EExtended strand (participates in β ladder)trans-106.7128.9175.6-56.8-164.9136.100109Q54 V74 N75 R76Q54-E56 HydrophobicContact CG-CG 4.37Å; E56-V74 HydrophobicContact CB-CG1 4.06Å; E56-N75 WeakPolarHBondContact CA-O 3.26Å; E56-R76 HydrophobicContact CG-CG 4.2Å; E56-R76 IonicContact OE1-CZ 3.39Å; E56-R76 IonicContact OE1-NE 3.21Å; E56-R76 PolarHBondContact OE1-NE 3.47Å; E56-R76 IonicContact OE1-NH2 3.46Å; E56-R76 PolarHBondContact OE1-NH2 3.44Å
57Y78.9Confident70.1Confident94 Ų94102.5 Ų102.537%0.36954%0.536SS..EExtended strand (participates in β ladder)trans-142.2152.8177.760.4-83.8000110.8I55 N75 D77I55-Y57 HydrophobicContact CG2-CD1 4.37Å; Y57-N75 HydrophobicContact CD1-CB 4.21Å; Y57-N75 HydrophobicContact CD2-CB 3.89Å; Y57-N75 HydrophobicContact CE1-CB 3.76Å; Y57-N75 HydrophobicContact CE2-CB 3.42Å; Y57-N75 VanDerWaalsContact CE2-CB 3.42Å; Y57-N75 HydrophobicContact CG-CB 4.27Å; Y57-N75 PolarHBondContact N-O 3.48Å; Y57-N75 PolarHBondContact O-N 2.9Å; Y57-D77 HydrophobicContact CE1-CB 4.22Å; Y57-D77 WeakPolarHBondContact CE1-OD2 3.49Å; Y57-D77 PolarHBondContact OH-OD2 2.86Å
58T71.5Confident67.6Low56 Ų5699.1 Ų99.134%0.34453%0.53SS..EExtended strand (participates in β ladder)trans-102.5142.2174.749.70000109.5D60 L72 V74T58-D60 VanDerWaalsContact C-N 3.35Å; T58-D60 PolarHBondContact O-N 2.63Å; T58-D60 PolarHBondContact OG1-OD1 3.13Å; T58-L72 HydrophobicContact CG2-CD2 3.74Å; T58-V74 HydrophobicContact CG2-CG2 4.34Å
59N63.7Low65Low96 Ų96101 Ų10151%0.51355%0.547SS..  trans-7392.3168-72.3-14.6000108.1E61 N75N59-E61 PolarHBondContact O-N 2.93Å; N59-N75 PolarHBondContact ND2-ND2 2.88Å; N59-N75 VanDerWaalsContact ND2-ND2 3.13Å; N59-N75 PolarHBondContact OD1-ND2 3.41Å
60D53Low62.6Low128 Ų128108.6 Ų108.668%0.68458%0.581SS**  trans-80.13.4177-81.62.1000112.8T58 G62T58-D60 VanDerWaalsContact C-N 3.35Å; T58-D60 PolarHBondContact O-N 2.63Å; T58-D60 PolarHBondContact OG1-OD1 3.13Å; D60-G62 VanDerWaalsContact C-N 3.29Å; D60-G62 PolarHBondContact O-N 3.39Å
61E47.6Very low60.1Low194 Ų194116.9 Ų116.991%0.90762%0.619SS**  trans-91.435.8-177-62.5-165.1172.500114.3N59 D63N59-E61 PolarHBondContact O-N 2.93Å; E61-D63 PolarHBondContact O-N 3.13Å
62G42.9Very low57.6Low61 Ų61118.9 Ų118.963%0.62963%0.631SS**  trans-73.9103.1160.100000109.1D60 D64D60-G62 VanDerWaalsContact C-N 3.29Å; D60-G62 PolarHBondContact O-N 3.39Å; G62-D64 PolarHBondContact O-N 2.94Å
63D41.4Very low55.5Low142 Ų142118.7 Ų118.776%0.75964%0.635SS**  trans-41.2126166.5-158.91.8000109.2E61 N65E61-D63 PolarHBondContact O-N 3.13Å; D63-N65 PolarHBondContact O-N 3.32Å
64D40.1Very low54Low157 Ų157118.4 Ų118.484%0.8464%0.638SS**THydrogen-bonded Turntrans-58.314.6-164.3-93.9-34.7000116.4G62G62-D64 PolarHBondContact O-N 2.94Å
65N41.7Very low53.1Low136 Ų136117.1 Ų117.173%0.72763%0.634SS**THydrogen-bonded Turntrans-119.22.6-167.9-72.2-51.6000117.3D63D63-N65 PolarHBondContact O-N 3.32Å
66E40Very low52.7Low175 Ų175119.5 Ų119.582%0.81864%0.638SS**  trans-116.195.1166.9-72.7-163.516400111.8G68E66-G68 PolarHBondContact O-N 3.41Å
67I34.8Very low52.7Low182 Ų182118.3 Ų118.393%0.93364%0.635SS**  trans-72.766.1168.5-53.2169.7000107.9
68G39.9Very low53.2Low50 Ų50116.2 Ų116.252%0.51563%0.627SS.*  trans-112.9136.5164.100000107.3E66 E70E66-G68 PolarHBondContact O-N 3.41Å; G68-E70 PolarHBondContact O-N 3.04Å
69S39.2Very low54.2Low127 Ų127115 Ų11589%0.88862%0.618SS**  trans-70.955.9178.355.80000111.8E71S69-E71 PolarHBondContact O-N 2.75Å; S69-E71 VanDerWaalsContact O-N 3.15Å
70E43.9Very low55.7Low171 Ų171110.4 Ų110.480%0.79959%0.593SS**  trans-64.3115.4170.2-68.1-168162.200106.8G68 L72G68-E70 PolarHBondContact O-N 3.04Å; E70-L72 PolarHBondContact O-N 3.29Å; E70-L72 VanDerWaalsContact O-N 3.09Å
71E43Very low57.8Low179 Ų179104.9 Ų104.984%0.83656%0.564SS**  trans-49.9120.7174.5-69.4179.2148.900108S69 T73S69-E71 PolarHBondContact O-N 2.75Å; S69-E71 VanDerWaalsContact O-N 3.15Å; E71-T73 PolarHBondContact O-N 2.96Å
72L42.6Very low60.2Low122 Ų12295.6 Ų95.664%0.63952%0.521SS*.  trans-47.1106.5171.1-91.5130.2000108.4T58 E70 V74T58-L72 HydrophobicContact CG2-CD2 3.74Å; E70-L72 PolarHBondContact O-N 3.29Å; E70-L72 VanDerWaalsContact O-N 3.09Å; L72-V74 PolarHBondContact O-N 2.98Å; L72-V74 VanDerWaalsContact O-N 3.08Å
73T51.5Low62.7Low85 Ų8594.4 Ų94.452%0.52150%0.502SS..  trans-74.3104179.141.60000107.6E71 N75E71-T73 PolarHBondContact O-N 2.96Å; T73-N75 PolarHBondContact O-N 2.87Å
74V60.3Low65.3Low76 Ų7688.9 Ų88.946%0.46148%0.475SS..EExtended strand (participates in β ladder)trans-75106.7172.3-177.70000107.6E56 T58 L72E56-V74 HydrophobicContact CB-CG1 4.06Å; T58-V74 HydrophobicContact CG2-CG2 4.34Å; L72-V74 PolarHBondContact O-N 2.98Å; L72-V74 VanDerWaalsContact O-N 3.08Å
75N70.5Confident67.9Low49 Ų4986.7 Ų86.726%0.26246%0.463SS..EExtended strand (participates in β ladder)trans-80.9143.4173-69.4-50.9000110.3E56 Y57 N59 T73E56-N75 WeakPolarHBondContact CA-O 3.26Å; Y57-N75 HydrophobicContact CD1-CB 4.21Å; Y57-N75 HydrophobicContact CD2-CB 3.89Å; Y57-N75 HydrophobicContact CE1-CB 3.76Å; Y57-N75 HydrophobicContact CE2-CB 3.42Å; Y57-N75 VanDerWaalsContact CE2-CB 3.42Å; Y57-N75 HydrophobicContact CG-CB 4.27Å; Y57-N75 PolarHBondContact N-O 3.48Å; Y57-N75 PolarHBondContact O-N 2.9Å; N59-N75 PolarHBondContact ND2-ND2 2.88Å; N59-N75 VanDerWaalsContact ND2-ND2 3.13Å; N59-N75 PolarHBondContact OD1-ND2 3.41Å; T73-N75 PolarHBondContact O-N 2.87Å
76R76.7Confident70.4Confident124 Ų12485.1 Ų85.147%0.46845%0.451SS..EExtended strand (participates in β ladder)trans-130.1101.7-172.3-74.4176.1160168.15.3110.3I55 E56 N128I55-R76 WeakPolarHBondContact O-CA 3.3Å; E56-R76 HydrophobicContact CG-CG 4.2Å; E56-R76 IonicContact OE1-CZ 3.39Å; E56-R76 IonicContact OE1-NE 3.21Å; E56-R76 PolarHBondContact OE1-NE 3.47Å; E56-R76 IonicContact OE1-NH2 3.46Å; E56-R76 PolarHBondContact OE1-NH2 3.44Å; R76-N128 PolarHBondContact O-ND2 2.93Å
77D82.9Confident73.1Confident80 Ų8076.9 Ų76.943%0.42841%0.413SS..EExtended strand (participates in β ladder)trans-100.8161.5171.3-75.5-22.4000111.3Q54 I55 Y57Q54-D77 CarbonylContact C-O 3.5Å; Q54-D77 WeakPolarHBondContact CA-O 3.38Å; I55-D77 PolarHBondContact N-O 3.35Å; I55-D77 PolarHBondContact O-N 3.01Å; Y57-D77 HydrophobicContact CE1-CB 4.22Å; Y57-D77 WeakPolarHBondContact CE1-OD2 3.49Å; Y57-D77 PolarHBondContact OH-OD2 2.86Å
78W90.1Very high76.1Confident51 Ų5170.1 Ų70.119%0.19338%0.378CS..EExtended strand (participates in β ladder)trans-129.1140.9-179.6-70.983.6000109.9M52 Q53 Q54 R185 Q187M52-W78 HydrophobicContact CB-CE3 4.16Å; M52-W78 HydrophobicContact CB-CZ3 4.06Å; Q53-W78 CarbonylContact O-C 3.54Å; Q53-W78 WeakPolarHBondContact O-CA 3.38Å; Q54-W78 HydrophobicContact CB-CD2 4.1Å; Q54-W78 HydrophobicContact CB-CE3 3.95Å; Q54-W78 HydrophobicContact CB-CH2 3.89Å; Q54-W78 HydrophobicContact CB-CZ2 4.04Å; Q54-W78 HydrophobicContact CB-CZ3 3.84Å; Q54-W78 VanDerWaalsContact CD-CZ2 3.46Å; Q54-W78 HydrophobicContact CG-CD2 4.21Å; Q54-W78 HydrophobicContact CG-CH2 4.29Å; Q54-W78 HydrophobicContact CG-CZ2 3.93Å; W78-R185 HydrophobicContact CB-CB 3.98Å; W78-R185 HydrophobicContact CB-CG 3.99Å; W78-R185 VanDerWaalsContact CD1-NH1 3.25Å; W78-R185 HydrophobicContact CD2-CG 4.42Å; W78-R185 HydrophobicContact CG-CG 4.16Å; W78-Q187 VanDerWaalsContact O-CG 3.31Å; W78-Q187 WeakPolarHBondContact O-CG 3.44Å; W78-Q187 PolarHBondContact O-NE2 2.95Å
79N91.8Very high78.8Confident29 Ų2970 Ų7016%0.15537%0.368CS..EExtended strand (participates in β ladder)trans-128.7143.4175.7-158.9-10.5000109.3Q53 I55 L81 S222Q53-N79 PolarHBondContact N-O 3.11Å; Q53-N79 PolarHBondContact O-N 3.14Å; I55-N79 HydrophobicContact CD1-CB 4.29Å; N79-L81 HydrophobicContact CB-CD2 4.42Å; N79-S222 PolarHBondContact ND2-OG 3.31Å; N79-S222 PolarHBondContact OD1-OG 3.03Å
80I96.2Very high81.6Confident0 Ų068.1 Ų68.10%035%0.354CS..EExtended strand (participates in β ladder)trans-101.4119.6171.1-61.1-55.9000107.5V50 M51 M52 R185 I186 S222 I223V50-I80 HydrophobicContact CB-CG2 3.79Å; V50-I80 HydrophobicContact CG1-CG2 4.31Å; V50-I80 HydrophobicContact CG2-CG2 4.02Å; M51-I80 WeakPolarHBondContact O-CA 3.09Å; M52-I80 HydrophobicContact CB-CD1 4.21Å; M52-I80 HydrophobicContact CG-CD1 3.48Å; M52-I80 VanDerWaalsContact CG-CD1 3.48Å; I80-R185 HydrophobicContact CD1-CB 3.86Å; I80-R185 HydrophobicContact CG1-CB 4.16Å; I80-I186 HydrophobicContact CB-CG1 4.16Å; I80-I186 HydrophobicContact CG1-CG1 3.69Å; I80-I186 HydrophobicContact CG2-CG1 4.39Å; I80-S222 CarbonylContact O-C 3.58Å; I80-S222 WeakPolarHBondContact O-CA 3.37Å; I80-I223 HydrophobicContact CB-CB 4.04Å; I80-I223 HydrophobicContact CG2-CB 3.75Å; I80-I223 HydrophobicContact CG2-CG1 3.86Å; I80-I223 HydrophobicContact CG2-CG2 4.43Å; I80-I223 PolarHBondContact O-N 2.96Å
81L97.1Very high84.2Confident12 Ų1262.9 Ų62.96%0.06333%0.332CS..EExtended strand (participates in β ladder)trans-114.1149-178-58.6-175.4000111.2V50 M51 Q53 N79 C83 D221 S222V50-L81 CarbonylContact C-O 3.54Å; V50-L81 WeakPolarHBondContact CA-O 3.36Å; M51-L81 HydrophobicContact CE-CB 4.43Å; M51-L81 HydrophobicContact CE-CD1 4.1Å; M51-L81 HydrophobicContact CG-CB 4.24Å; M51-L81 PolarHBondContact N-O 3.14Å; M51-L81 PolarHBondContact O-N 3.24Å; Q53-L81 HydrophobicContact CB-CD1 4.24Å; N79-L81 HydrophobicContact CB-CD2 4.42Å; L81-C83 PolarHBondContact O-N 3.48Å; L81-D221 WeakPolarHBondContact CA-O 3.47Å; L81-S222 WeakPolarHBondContact CD2-OG 3.33Å
82V97.9Very high86.7Confident0 Ų056.5 Ų56.50%031%0.307CS..EExtended strand (participates in β ladder)trans-69122168.9179.50000109.6S49 S84 L87 L217 Q218 N220 D221 I223S49-V82 CarbonylContact O-C 3.59Å; S49-V82 WeakPolarHBondContact O-CA 3.42Å; V82-S84 WeakPolarHBondContact CG1-OG 3.48Å; V82-L87 HydrophobicContact CG1-CB 4.22Å; V82-L87 HydrophobicContact CG2-CB 4.33Å; V82-L87 HydrophobicContact CG2-CD2 4.46Å; V82-L217 HydrophobicContact CG2-CB 3.94Å; V82-L217 HydrophobicContact CG2-CD1 4.12Å; V82-Q218 WeakPolarHBondContact CB-O 3.33Å; V82-N220 PolarHBondContact O-N 3.35Å; V82-D221 PolarHBondContact N-O 2.89Å; V82-I223 HydrophobicContact CG2-CD1 3.78Å; V82-I223 HydrophobicContact CG2-CG1 4.31Å
83C96.3Very high89.3Confident35 Ų3554.2 Ų54.224%0.23630%0.295CS..  trans-100.9-23176.9690000113S49 V50 M51 L81 R219S49-C83 PolarHBondContact O-N 2.82Å; S49-C83 PolarHBondContact O-SG 2.8Å; V50-C83 PolarHBondContact N-SG 2.83Å; M51-C83 HydrophobicContact CB-CB 4.07Å; M51-C83 HydrophobicContact CG-CB 3.96Å; M51-C83 HydrophobicContact SD-CB 3.93Å; L81-C83 PolarHBondContact O-N 3.48Å; C83-R219 PolarHBondContact O-NE 3.1Å; C83-R219 PolarHBondContact O-NH2 2.85Å; C83-R219 VanDerWaalsContact O-NH2 3.08Å
84S94.3Very high91.4Very high27 Ų2750.7 Ų50.719%0.18927%0.273CS..SBendtrans-66.2166.7168.763.30000111.5S49 V82 Q86 R219S49-S84 PolarHBondContact O-N 2.99Å; V82-S84 WeakPolarHBondContact CG1-OG 3.48Å; S84-Q86 VanDerWaalsContact C-N 3.32Å; S84-Q86 PolarHBondContact OG-O 3.43Å; S84-R219 WeakPolarHBondContact O-CA 3.38Å; S84-R219 VanDerWaalsContact O-CB 3.25Å; S84-R219 WeakPolarHBondContact O-CB 3.27Å
85D95.1Very high93.2Very high110 Ų11047 Ų4759%0.58825%0.251SS*.SBendtrans-65.9-38.6179.1-67.2-19.6000111.5R219D85-R219 PolarHBondContact O-N 2.84Å; D85-R219 VanDerWaalsContact O-N 3.11Å; D85-R219 IonicContact OD1-CZ 3.16Å; D85-R219 IonicContact OD1-NH1 3.25Å; D85-R219 PolarHBondContact OD1-NH1 3.08Å; D85-R219 IonicContact OD1-NH2 2.68Å; D85-R219 PolarHBondContact OD1-NH2 2.96Å
86Q95.4Very high94.5Very high104 Ų10444.8 Ų44.849%0.48624%0.239SC..EExtended strand (participates in β ladder)trans-153146.8178.559.5-176.3-12.400111.5S84 L88 L217S84-Q86 VanDerWaalsContact C-N 3.32Å; S84-Q86 PolarHBondContact OG-O 3.43Å; Q86-L88 HydrophobicContact CB-CD2 4.34Å; Q86-L88 HydrophobicContact CB-CG 4.45Å; Q86-L88 HydrophobicContact CG-CD1 4.46Å; Q86-L88 HydrophobicContact CG-CD2 4.44Å; Q86-L88 HydrophobicContact CG-CG 4.13Å; Q86-L217 CarbonylContact C-O 3.6Å; Q86-L217 VanDerWaalsContact CA-O 3.3Å; Q86-L217 WeakPolarHBondContact CA-O 3.42Å
87L96Very high95.5Very high1 Ų139.1 Ų39.11%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-119.793.4172.6-162.376.6000108.8V82 N94 F96 P213 L217 I223V82-L87 HydrophobicContact CG1-CB 4.22Å; V82-L87 HydrophobicContact CG2-CB 4.33Å; V82-L87 HydrophobicContact CG2-CD2 4.46Å; L87-N94 HydrophobicContact CD1-CB 4.06Å; L87-N94 VanDerWaalsContact CD1-CG 3.46Å; L87-N94 WeakPolarHBondContact CD1-OD1 3.19Å; L87-N94 HydrophobicContact CG-CB 4.35Å; L87-F96 HydrophobicContact CD1-CE2 4.07Å; L87-F96 HydrophobicContact CD1-CZ 3.93Å; L87-F96 HydrophobicContact CD2-CE2 4.45Å; L87-P213 HydrophobicContact CD2-CB 3.98Å; L87-P213 HydrophobicContact CD2-CG 4.03Å; L87-P213 HydrophobicContact CG-CB 4.36Å; L87-P213 HydrophobicContact CG-CG 4.05Å; L87-L217 HydrophobicContact CB-CB 4.24Å; L87-L217 HydrophobicContact CD2-CD1 4.41Å; L87-L217 PolarHBondContact N-O 2.73Å; L87-L217 PolarHBondContact O-N 3.43Å; L87-I223 HydrophobicContact CD2-CD1 4.06Å
88L97.8Very high96.2Very high41 Ų4135.3 Ų35.322%0.21520%0.198CC..  trans-88.4138.7-174.8-58.5179.4000112Q86 S90 D91 N94 D216Q86-L88 HydrophobicContact CB-CD2 4.34Å; Q86-L88 HydrophobicContact CB-CG 4.45Å; Q86-L88 HydrophobicContact CG-CD1 4.46Å; Q86-L88 HydrophobicContact CG-CD2 4.44Å; Q86-L88 HydrophobicContact CG-CG 4.13Å; L88-S90 PolarHBondContact O-N 3.41Å; L88-D91 HydrophobicContact CB-CB 4.38Å; L88-D91 PolarHBondContact O-N 2.77Å; L88-N94 PolarHBondContact N-ND2 3.48Å; L88-N94 VanDerWaalsContact N-ND2 3.13Å; L88-N94 PolarHBondContact O-ND2 2.95Å; L88-D216 WeakPolarHBondContact CA-OD1 3.14Å; L88-D216 HydrophobicContact CD2-CB 3.95Å
89V97.4Very high96.5Very high47 Ų4735.8 Ų35.829%0.28520%0.204SC..THydrogen-bonded Turntrans-65.7-29.7174.5-176.90000111.2D91 P213 K215 D216V89-D91 VanDerWaalsContact C-N 3.28Å; V89-D91 PolarHBondContact O-N 3.06Å; V89-P213 HydrophobicContact CG2-CB 4.39Å; V89-P213 HydrophobicContact CG2-CG 4.49Å; V89-K215 VanDerWaalsContact CG2-CA 3.49Å; V89-D216 PolarHBondContact N-OD1 2.82Å
90S97.3Very high96.6Very high87 Ų8735.2 Ų35.261%0.60820%0.2SC*.THydrogen-bonded Turntrans-76.5-10179.560.70000114.4L30 L88L30-S90 WeakPolarHBondContact CD2-O 3.45Å; L88-S90 PolarHBondContact O-N 3.41Å
91D97.5Very high96.6Very high62 Ų6235.9 Ų35.933%0.33221%0.206SC..  trans-90.8112.3178.6-176.1-10000110.6F31 L88 V89 N93 N94F31-D91 WeakPolarHBondContact CE1-O 3.14Å; L88-D91 HydrophobicContact CB-CB 4.38Å; L88-D91 PolarHBondContact O-N 2.77Å; V89-D91 VanDerWaalsContact C-N 3.28Å; V89-D91 PolarHBondContact O-N 3.06Å; D91-N93 PolarHBondContact O-N 3.09Å; D91-N93 WeakPolarHBondContact OD1-CB 3.35Å; D91-N93 PolarHBondContact OD1-N 2.81Å; D91-N93 PolarHBondContact OD1-ND2 3.23Å; D91-N94 WeakPolarHBondContact O-CB 3.43Å; D91-N94 PolarHBondContact O-N 2.57Å
92S96.5Very high96.5Very high44 Ų4435.8 Ų35.831%0.30821%0.205SC..THydrogen-bonded Turntrans-56.9-15.2178.758.70000115.3L30 R34 N94L30-S92 WeakPolarHBondContact O-CB 3.31Å; R34-S92 VanDerWaalsContact CB-O 3.27Å; R34-S92 WeakPolarHBondContact CB-O 3.42Å; S92-N94 VanDerWaalsContact C-N 3.34Å
93N96.1Very high96.3Very high74 Ų7438.4 Ų38.440%0.39622%0.221SC..THydrogen-bonded Turntrans-78-19.4177.5-64.5-61.9000113.6R34 K38 D91 I95R34-N93 PolarHBondContact NE-OD1 3.07Å; K38-N93 PolarHBondContact NZ-O 2.94Å; D91-N93 PolarHBondContact O-N 3.09Å; D91-N93 WeakPolarHBondContact OD1-CB 3.35Å; D91-N93 PolarHBondContact OD1-N 2.81Å; D91-N93 PolarHBondContact OD1-ND2 3.23Å; N93-I95 PolarHBondContact O-N 3.32Å
94N97.2Very high96.1Very high11 Ų1136.9 Ų36.96%0.05921%0.21CC..  trans-8349.8-172.3-66.3-17.7000113F31 L87 L88 D91 S92 F96 W212 P213F31-N94 HydrophobicContact CE1-CB 4.47Å; L87-N94 HydrophobicContact CD1-CB 4.06Å; L87-N94 VanDerWaalsContact CD1-CG 3.46Å; L87-N94 WeakPolarHBondContact CD1-OD1 3.19Å; L87-N94 HydrophobicContact CG-CB 4.35Å; L88-N94 PolarHBondContact N-ND2 3.48Å; L88-N94 VanDerWaalsContact N-ND2 3.13Å; L88-N94 PolarHBondContact O-ND2 2.95Å; D91-N94 WeakPolarHBondContact O-CB 3.43Å; D91-N94 PolarHBondContact O-N 2.57Å; S92-N94 VanDerWaalsContact C-N 3.34Å; N94-F96 HydrophobicContact CB-CE2 4.4Å; N94-W212 WeakPolarHBondContact O-CB 3.39Å; N94-P213 HydrophobicContact CB-CG 4.08Å; N94-P213 WeakPolarHBondContact O-CD 3.29Å
95I98Very high95.8Very high0 Ų037.9 Ų37.90%021%0.214CC..  trans-128.6126.7169.6-173.6157.3000108.9I27 F31 R34 L35 K38 N93 V210 W212I27-I95 HydrophobicContact CG2-CD1 3.81Å; F31-I95 HydrophobicContact CB-CB 3.97Å; F31-I95 HydrophobicContact CB-CD1 3.45Å; F31-I95 VanDerWaalsContact CB-CD1 3.45Å; F31-I95 HydrophobicContact CB-CG1 4.32Å; F31-I95 HydrophobicContact CB-CG2 3.94Å; F31-I95 HydrophobicContact CD1-CB 3.81Å; F31-I95 HydrophobicContact CD1-CG2 4.03Å; F31-I95 HydrophobicContact CD2-CD1 4.29Å; F31-I95 HydrophobicContact CE1-CB 4.48Å; F31-I95 HydrophobicContact CG-CB 3.93Å; F31-I95 HydrophobicContact CG-CD1 3.95Å; F31-I95 HydrophobicContact CG-CG2 4.27Å; R34-I95 HydrophobicContact CB-CG2 4.08Å; R34-I95 HydrophobicContact CG-CG2 4.09Å; L35-I95 HydrophobicContact CB-CD1 4.22Å; L35-I95 HydrophobicContact CB-CG2 4.49Å; L35-I95 HydrophobicContact CD1-CD1 4.49Å; L35-I95 HydrophobicContact CD2-CD1 4.21Å; K38-I95 WeakPolarHBondContact CD-O 3.43Å; K38-I95 VanDerWaalsContact CE-O 3.31Å; K38-I95 WeakPolarHBondContact CE-O 3.35Å; K38-I95 PolarHBondContact NZ-O 3.19Å; N93-I95 PolarHBondContact O-N 3.32Å; I95-V210 HydrophobicContact CD1-CG1 3.49Å; I95-V210 VanDerWaalsContact CD1-CG1 3.49Å; I95-V210 HydrophobicContact CG1-CG1 3.31Å; I95-W212 HydrophobicContact CB-CB 4.41Å; I95-W212 HydrophobicContact CD1-CE3 4.3Å; I95-W212 HydrophobicContact CG1-CB 4.37Å
96F98.1Very high95.3Very high2 Ų234 Ų341%0.00919%0.194CC..EExtended strand (participates in β ladder)trans-122.9141.3-167.2-55.7-78000111.2A46 L87 N94 V210 F211A46-F96 HydrophobicContact CB-CB 4.2Å; A46-F96 HydrophobicContact CB-CD1 4.09Å; A46-F96 HydrophobicContact CB-CG 4.28Å; L87-F96 HydrophobicContact CD1-CE2 4.07Å; L87-F96 HydrophobicContact CD1-CZ 3.93Å; L87-F96 HydrophobicContact CD2-CE2 4.45Å; N94-F96 HydrophobicContact CB-CE2 4.4Å; F96-V210 WeakPolarHBondContact O-CA 3.17Å; F96-F211 HydrophobicContact CB-CD1 3.81Å; F96-F211 HydrophobicContact CB-CE1 3.37Å; F96-F211 HydrophobicContact CB-CE2 4.35Å; F96-F211 HydrophobicContact CB-CG 4.49Å; F96-F211 HydrophobicContact CB-CZ 3.67Å; F96-F211 HydrophobicContact CD2-CD2 4.15Å; F96-F211 HydrophobicContact CD2-CE1 4.15Å; F96-F211 AromaticContact CD2-CE2 3.56Å; F96-F211 HydrophobicContact CD2-CE2 3.56Å; F96-F211 AromaticContact CD2-CZ 3.56Å; F96-F211 HydrophobicContact CD2-CZ 3.56Å; F96-F211 HydrophobicContact CE2-CE2 4.27Å; F96-F211 HydrophobicContact CE2-CZ 4.46Å; F96-F211 HydrophobicContact CG-CE1 4.06Å; F96-F211 HydrophobicContact CG-CE2 4.27Å; F96-F211 AromaticContact CG-CZ 3.81Å; F96-F211 HydrophobicContact CG-CZ 3.81Å; F96-F211 PolarHBondContact N-O 3.21Å; F96-F211 PolarHBondContact O-N 3.12Å
97L97.7Very high94.6Very high4 Ų435.1 Ų35.12%0.02120%0.199CC..EExtended strand (participates in β ladder)trans-84.2140.4171.7-62.7-174.8000110L35 K38 L39 Y44 V210L35-L97 HydrophobicContact CD1-CD2 3.63Å; K38-L97 HydrophobicContact CB-CD1 3.86Å; K38-L97 HydrophobicContact CB-CG 4.03Å; K38-L97 WeakPolarHBondContact O-CD1 3.3Å; L39-L97 HydrophobicContact CD2-CD1 4.02Å; L39-L97 HydrophobicContact CD2-CD2 3.69Å; L39-L97 HydrophobicContact CG-CD1 4.38Å; L39-L97 HydrophobicContact CG-CD2 4.06Å; Y44-L97 HydrophobicContact CD1-CB 3.93Å; Y44-L97 HydrophobicContact CE1-CB 3.9Å; L97-V210 HydrophobicContact CD2-CG2 3.98Å
98V96.8Very high94Very high1 Ų136.7 Ų36.71%0.00621%0.21CC..EExtended strand (participates in β ladder)trans-127.9124.8174.1175.10000107L179 D180 M196 S209 F211V98-L179 HydrophobicContact CG1-CB 3.99Å; V98-L179 HydrophobicContact CG1-CD1 4.47Å; V98-L179 HydrophobicContact CG1-CD2 3.78Å; V98-L179 HydrophobicContact CG1-CG 4.3Å; V98-D180 WeakPolarHBondContact CG1-OD1 3.38Å; V98-M196 HydrophobicContact CG2-CE 4.3Å; V98-S209 PolarHBondContact N-O 2.76Å; V98-S209 PolarHBondContact O-N 3.41Å; V98-F211 HydrophobicContact CG2-CD1 3.45Å; V98-F211 VanDerWaalsContact CG2-CD1 3.45Å; V98-F211 HydrophobicContact CG2-CE1 3.69Å
99D95.3Very high93.6Very high60 Ų6035 Ų3532%0.32120%0.201SC..  trans-78.9157.8-177.3-165.823.7000111.3Y44 L179 D180Y44-D99 HydrophobicContact CE1-CB 4.04Å; D99-L179 CarbonylContact O-C 3.59Å; D99-L179 WeakPolarHBondContact O-CA 3.27Å; D99-D180 HydrophobicContact CB-CB 4.3Å; D99-D180 PolarHBondContact N-OD2 3.19Å; D99-D180 PolarHBondContact O-N 2.84Å
100H95.1Very high93.3Very high17 Ų1737.1 Ų37.18%0.07921%0.206CC..  trans-95.891.2173.9-68.6-169.2000107.9W102 Y154 Y177 V178 Y208 S209H100-W102 PolarHBondContact O-N 2.91Å; H100-W102 VanDerWaalsContact O-N 3.09Å; H100-Y154 AromaticContact CE1-CE1 3.96Å; H100-Y154 AromaticContact ND1-CE1 3.92Å; H100-Y177 HydrophobicContact CB-CD2 4.37Å; H100-Y177 AromaticContact CD2-CD2 3.62Å; H100-Y177 AromaticContact CD2-CE2 3.76Å; H100-Y177 AromaticContact CE1-CD2 3.42Å; H100-Y177 VanDerWaalsContact CE1-CD2 3.42Å; H100-Y177 WeakPolarHBondContact CE1-CD2 3.39Å; H100-Y177 AromaticContact CE1-CE2 3.41Å; H100-Y177 VanDerWaalsContact CE1-CE2 3.41Å; H100-Y177 WeakPolarHBondContact CE1-CE2 3.31Å; H100-Y177 AromaticContact CE1-CG 3.76Å; H100-Y177 AromaticContact CE1-CZ 3.75Å; H100-Y177 AromaticContact CG-CD2 3.59Å; H100-Y177 AromaticContact ND1-CD2 3.47Å; H100-Y177 WeakPolarHBondContact ND1-CD2 3.49Å; H100-Y177 AromaticContact ND1-CE2 3.96Å; H100-Y177 AromaticContact ND1-CG 3.6Å; H100-Y177 AromaticContact NE2-CD2 3.52Å; H100-Y177 AromaticContact NE2-CE2 3.27Å; H100-Y177 VanDerWaalsContact NE2-CE2 3.27Å; H100-Y177 WeakPolarHBondContact NE2-CE2 3.32Å; H100-Y177 AromaticContact NE2-CZ 3.89Å; H100-V178 CarbonylContact C-O 3.42Å; H100-Y208 PolarHBondContact NE2-O 3.33Å; H100-S209 PolarHBondContact NE2-N 3.39Å; H100-S209 VanDerWaalsContact NE2-N 3.2Å; H100-S209 PolarHBondContact NE2-OG 2.88Å
101A95.6Very high93Very high15 Ų1539.3 Ų39.312%0.12421%0.207CC..SBendtrans-53.6-32.1-178.300000113.5M123 V178 L179A101-M123 HydrophobicContact CB-CE 3.99Å; A101-V178 PolarHBondContact N-O 3.4Å; A101-L179 WeakPolarHBondContact CB-O 3.28Å
102W95.9Very high92.8Very high9 Ų937.6 Ų37.63%0.03420%0.2CC..EExtended strand (participates in β ladder)trans-148.6133.2175.6-173.824.6000110.3H100 F104 M109 L113 L119 M123 I143 V147 Y177 V178H100-W102 PolarHBondContact O-N 2.91Å; H100-W102 VanDerWaalsContact O-N 3.09Å; W102-F104 AromaticContact CD2-CD1 3.41Å; W102-F104 HydrophobicContact CD2-CD1 3.41Å; W102-F104 VanDerWaalsContact CD2-CD1 3.41Å; W102-F104 AromaticContact CD2-CE1 3.85Å; W102-F104 HydrophobicContact CD2-CE1 3.85Å; W102-F104 HydrophobicContact CD2-CG 4.33Å; W102-F104 AromaticContact CE2-CD1 3.43Å; W102-F104 VanDerWaalsContact CE2-CD1 3.43Å; W102-F104 AromaticContact CE2-CG 3.89Å; W102-F104 AromaticContact CE3-CD1 3.73Å; W102-F104 HydrophobicContact CE3-CD1 3.73Å; W102-F104 AromaticContact CE3-CE1 3.66Å; W102-F104 HydrophobicContact CE3-CE1 3.66Å; W102-F104 AromaticContact CG-CD1 3.88Å; W102-F104 HydrophobicContact CG-CD1 3.88Å; W102-F104 HydrophobicContact CH2-CD1 4.11Å; W102-F104 HydrophobicContact CH2-CE1 4.24Å; W102-F104 HydrophobicContact CH2-CG 4.46Å; W102-F104 HydrophobicContact CZ2-CB 4.14Å; W102-F104 AromaticContact CZ2-CD1 3.8Å; W102-F104 HydrophobicContact CZ2-CD1 3.8Å; W102-F104 HydrophobicContact CZ2-CE1 4.39Å; W102-F104 AromaticContact CZ2-CG 3.97Å; W102-F104 HydrophobicContact CZ2-CG 3.97Å; W102-F104 HydrophobicContact CZ3-CD1 4.06Å; W102-F104 AromaticContact CZ3-CE1 3.86Å; W102-F104 HydrophobicContact CZ3-CE1 3.86Å; W102-F104 HydrophobicContact CZ3-CZ 4.5Å; W102-F104 AromaticContact NE1-CD1 3.84Å; W102-M109 HydrophobicContact CH2-CB 4.47Å; W102-M109 HydrophobicContact CH2-CG 3.25Å; W102-M109 HydrophobicContact CH2-SD 4.15Å; W102-M109 HydrophobicContact CZ2-CB 4.44Å; W102-M109 HydrophobicContact CZ2-CG 3.62Å; W102-M109 HydrophobicContact CZ3-CG 4.27Å; W102-L113 HydrophobicContact CE3-CD2 4.48Å; W102-L113 HydrophobicContact CH2-CD1 3.65Å; W102-L113 HydrophobicContact CH2-CD2 3.63Å; W102-L113 HydrophobicContact CH2-CG 3.56Å; W102-L113 HydrophobicContact CZ2-CD1 4.3Å; W102-L113 HydrophobicContact CZ2-CD2 3.89Å; W102-L113 HydrophobicContact CZ2-CG 3.75Å; W102-L113 HydrophobicContact CZ3-CD1 4.35Å; W102-L113 HydrophobicContact CZ3-CD2 3.97Å; W102-L113 HydrophobicContact CZ3-CG 4.35Å; W102-L119 HydrophobicContact CB-CD1 3.92Å; W102-L119 HydrophobicContact CD2-CD1 4.45Å; W102-L119 HydrophobicContact CD2-CD2 4.26Å; W102-L119 HydrophobicContact CG-CD1 3.93Å; W102-L119 HydrophobicContact CG-CD2 4.03Å; W102-L119 HydrophobicContact CG-CG 4.48Å; W102-M123 HydrophobicContact CB-SD 4.07Å; W102-M123 HydrophobicContact CD2-CG 4.45Å; W102-M123 HydrophobicContact CD2-SD 4.46Å; W102-M123 HydrophobicContact CE3-CG 3.83Å; W102-M123 HydrophobicContact CE3-SD 3.77Å; W102-M123 HydrophobicContact CZ3-CG 4.27Å; W102-I143 HydrophobicContact CH2-CG2 4.41Å; W102-I143 HydrophobicContact CZ3-CG2 3.97Å; W102-V147 HydrophobicContact CZ3-CG2 4.11Å; W102-Y177 CarbonylContact O-C 3.55Å; W102-Y177 WeakPolarHBondContact O-CA 3.21Å; W102-Y177 WeakPolarHBondContact O-CB 3.4Å; W102-V178 HydrophobicContact CB-CB 4.34Å; W102-V178 HydrophobicContact CE3-CG2 4.19Å; W102-V178 PolarHBondContact N-O 3.23Å; W102-V178 PolarHBondContact O-N 3.08Å
103T94.1Very high92.8Very high55 Ų5535.5 Ų35.534%0.33719%0.185SC..EExtended strand (participates in β ladder)trans-124.4132.7170.7-61.80000108.3Y154 M175 W176T103-Y154 VanDerWaalsContact CG2-OH 3.26Å; T103-Y154 WeakPolarHBondContact CG2-OH 3.47Å; T103-M175 HydrophobicContact CG2-CB 4.46Å; T103-M175 HydrophobicContact CG2-CE 3.73Å; T103-W176 CarbonylContact C-O 3.56Å; T103-W176 WeakPolarHBondContact CA-O 3.1Å
104F91.8Very high92.8Very high4 Ų435 Ų352%0.01818%0.182CC..EExtended strand (participates in β ladder)trans-149.9157.3-17559-88.5000112.6W102 M109 V147 W176 V178W102-F104 AromaticContact CD2-CD1 3.41Å; W102-F104 HydrophobicContact CD2-CD1 3.41Å; W102-F104 VanDerWaalsContact CD2-CD1 3.41Å; W102-F104 AromaticContact CD2-CE1 3.85Å; W102-F104 HydrophobicContact CD2-CE1 3.85Å; W102-F104 HydrophobicContact CD2-CG 4.33Å; W102-F104 AromaticContact CE2-CD1 3.43Å; W102-F104 VanDerWaalsContact CE2-CD1 3.43Å; W102-F104 AromaticContact CE2-CG 3.89Å; W102-F104 AromaticContact CE3-CD1 3.73Å; W102-F104 HydrophobicContact CE3-CD1 3.73Å; W102-F104 AromaticContact CE3-CE1 3.66Å; W102-F104 HydrophobicContact CE3-CE1 3.66Å; W102-F104 AromaticContact CG-CD1 3.88Å; W102-F104 HydrophobicContact CG-CD1 3.88Å; W102-F104 HydrophobicContact CH2-CD1 4.11Å; W102-F104 HydrophobicContact CH2-CE1 4.24Å; W102-F104 HydrophobicContact CH2-CG 4.46Å; W102-F104 HydrophobicContact CZ2-CB 4.14Å; W102-F104 AromaticContact CZ2-CD1 3.8Å; W102-F104 HydrophobicContact CZ2-CD1 3.8Å; W102-F104 HydrophobicContact CZ2-CE1 4.39Å; W102-F104 AromaticContact CZ2-CG 3.97Å; W102-F104 HydrophobicContact CZ2-CG 3.97Å; W102-F104 HydrophobicContact CZ3-CD1 4.06Å; W102-F104 AromaticContact CZ3-CE1 3.86Å; W102-F104 HydrophobicContact CZ3-CE1 3.86Å; W102-F104 HydrophobicContact CZ3-CZ 4.5Å; W102-F104 AromaticContact NE1-CD1 3.84Å; F104-M109 HydrophobicContact CD2-CB 4.08Å; F104-M109 HydrophobicContact CD2-CE 3.82Å; F104-M109 HydrophobicContact CD2-CG 3.91Å; F104-M109 HydrophobicContact CD2-SD 4.48Å; F104-M109 HydrophobicContact CE2-CE 3.22Å; F104-M109 HydrophobicContact CE2-CG 4.06Å; F104-M109 HydrophobicContact CE2-SD 4.04Å; F104-M109 HydrophobicContact CG-CG 4.37Å; F104-M109 HydrophobicContact CZ-CE 3.99Å; F104-M109 HydrophobicContact CZ-SD 4.41Å; F104-V147 HydrophobicContact CE1-CG2 4.08Å; F104-V147 HydrophobicContact CZ-CG2 3.82Å; F104-W176 HydrophobicContact CD2-CB 3.94Å; F104-W176 HydrophobicContact CE1-CB 4.15Å; F104-W176 HydrophobicContact CE2-CB 3.44Å; F104-W176 VanDerWaalsContact CE2-CB 3.44Å; F104-W176 HydrophobicContact CE2-CG 4.07Å; F104-W176 HydrophobicContact CG-CB 4.46Å; F104-W176 HydrophobicContact CZ-CB 3.58Å; F104-W176 HydrophobicContact CZ-CG 4.5Å; F104-W176 PolarHBondContact N-O 3.4Å; F104-W176 PolarHBondContact O-N 3.3Å; F104-V178 HydrophobicContact CE1-CG2 4.23Å
105D86.5Confident92.8Very high48 Ų4839.8 Ų39.826%0.25720%0.204SC..  trans-93.2155.2154.773.987.5000109.1Q107 S108 M109D105-Q107 VanDerWaalsContact C-N 3.28Å; D105-Q107 PolarHBondContact O-N 3.17Å; D105-Q107 WeakPolarHBondContact OD1-CA 3.28Å; D105-Q107 WeakPolarHBondContact OD1-CB 3.46Å; D105-Q107 PolarHBondContact OD1-N 2.79Å; D105-S108 PolarHBondContact O-N 3.42Å; D105-S108 PolarHBondContact O-OG 3.06Å; D105-S108 PolarHBondContact OD1-N 2.81Å; D105-S108 VanDerWaalsContact OD2-CB 3.28Å; D105-S108 WeakPolarHBondContact OD2-CB 3.47Å; D105-S108 PolarHBondContact OD2-OG 3.41Å; D105-M109 PolarHBondContact O-N 2.82Å
106V84.6Confident92.7Very high28 Ų2845.6 Ų45.617%0.1723%0.227CC..THydrogen-bonded Turntrans-65.5-31.5-172.2-176.10000112.6M109 W148 W176V106-M109 HydrophobicContact CG1-CE 4.09Å; V106-M109 WeakPolarHBondContact O-CB 3.46Å; V106-M109 PolarHBondContact O-N 2.82Å; V106-W148 HydrophobicContact CG1-CH2 4.27Å; V106-W148 HydrophobicContact CG2-CH2 3.99Å; V106-W176 HydrophobicContact CG2-CG 4.48Å
107Q80.6Confident92.5Very high127 Ų12748.7 Ų48.759%0.59325%0.248SC*.THydrogen-bonded Turntrans-73.2-30.9-177.4-65171.110.400111.7D105D105-Q107 VanDerWaalsContact C-N 3.28Å; D105-Q107 PolarHBondContact O-N 3.17Å; D105-Q107 WeakPolarHBondContact OD1-CA 3.28Å; D105-Q107 WeakPolarHBondContact OD1-CB 3.46Å; D105-Q107 PolarHBondContact OD1-N 2.79Å
108S83.5Confident92.4Very high35 Ų3552.9 Ų52.925%0.24528%0.277CS..THydrogen-bonded Turntrans-91-6.5178.770.40000114.3D105 K110 Q111 C112D105-S108 PolarHBondContact O-N 3.42Å; D105-S108 PolarHBondContact O-OG 3.06Å; D105-S108 PolarHBondContact OD1-N 2.81Å; D105-S108 VanDerWaalsContact OD2-CB 3.28Å; D105-S108 WeakPolarHBondContact OD2-CB 3.47Å; D105-S108 PolarHBondContact OD2-OG 3.41Å; S108-K110 PolarHBondContact O-N 3.31Å; S108-Q111 PolarHBondContact O-N 3.49Å; S108-C112 VanDerWaalsContact O-CB 3.27Å; S108-C112 WeakPolarHBondContact O-CB 3.49Å; S108-C112 PolarHBondContact O-N 3.08Å
109M90Very high92.4Very high6 Ų653.9 Ų53.93%0.0328%0.282CS..Hα-helixtrans-50.9-60.7-171.2-169.2-169.2-48.700113.3W102 F104 D105 V106 Q111 C112 L113 C144 V147 W148W102-M109 HydrophobicContact CH2-CB 4.47Å; W102-M109 HydrophobicContact CH2-CG 3.25Å; W102-M109 HydrophobicContact CH2-SD 4.15Å; W102-M109 HydrophobicContact CZ2-CB 4.44Å; W102-M109 HydrophobicContact CZ2-CG 3.62Å; W102-M109 HydrophobicContact CZ3-CG 4.27Å; F104-M109 HydrophobicContact CD2-CB 4.08Å; F104-M109 HydrophobicContact CD2-CE 3.82Å; F104-M109 HydrophobicContact CD2-CG 3.91Å; F104-M109 HydrophobicContact CD2-SD 4.48Å; F104-M109 HydrophobicContact CE2-CE 3.22Å; F104-M109 HydrophobicContact CE2-CG 4.06Å; F104-M109 HydrophobicContact CE2-SD 4.04Å; F104-M109 HydrophobicContact CG-CG 4.37Å; F104-M109 HydrophobicContact CZ-CE 3.99Å; F104-M109 HydrophobicContact CZ-SD 4.41Å; D105-M109 PolarHBondContact O-N 2.82Å; V106-M109 HydrophobicContact CG1-CE 4.09Å; V106-M109 WeakPolarHBondContact O-CB 3.46Å; V106-M109 PolarHBondContact O-N 2.82Å; M109-Q111 PolarHBondContact O-N 3.32Å; M109-C112 PolarHBondContact O-N 3.29Å; M109-L113 PolarHBondContact O-N 3.11Å; M109-C144 HydrophobicContact SD-CB 3.83Å; M109-C144 PolarHBondContact SD-SG 2.95Å; M109-V147 HydrophobicContact CE-CG1 4.16Å; M109-V147 HydrophobicContact SD-CG1 3.82Å; M109-W148 HydrophobicContact CE-CH2 3.95Å; M109-W148 HydrophobicContact CE-CZ2 3.74Å
110K91.4Very high92.5Very high90 Ų9051.2 Ų51.239%0.39127%0.268SS..Hα-helixtrans-64.9-40.8-178.3-172.5169177.7170.70111.9S108 C112 L113 L114 A140 S141S108-K110 PolarHBondContact O-N 3.31Å; K110-C112 VanDerWaalsContact C-N 3.33Å; K110-C112 PolarHBondContact O-N 3Å; K110-L113 PolarHBondContact O-N 3.3Å; K110-L114 HydrophobicContact CG-CD1 4.21Å; K110-L114 WeakPolarHBondContact O-CG 3.48Å; K110-L114 PolarHBondContact O-N 3.25Å; K110-L114 VanDerWaalsContact O-N 3.13Å; K110-A140 HydrophobicContact CG-CB 4.22Å; K110-S141 WeakPolarHBondContact CE-OG 3.43Å; K110-S141 PolarHBondContact NZ-OG 2.93Å
111Q90.6Very high92.6Very high133 Ų13356.5 Ų56.562%0.62129%0.293SS*.Hα-helixtrans-62.6-40.6177.9-177-179.3-15.600111.7S108 M109 L114 Q115S108-Q111 PolarHBondContact O-N 3.49Å; M109-Q111 PolarHBondContact O-N 3.32Å; Q111-L114 PolarHBondContact O-N 2.78Å; Q111-Q115 VanDerWaalsContact O-CB 3.28Å; Q111-Q115 WeakPolarHBondContact O-CB 3.37Å; Q111-Q115 PolarHBondContact O-N 3.42Å
112C93.6Very high92.6Very high27 Ų2759.6 Ų59.618%0.18230%0.301CS..Hα-helixtrans-62.7-46.6178.3-173.40000111.3S108 M109 K110 L114 Q115 Y116S108-C112 VanDerWaalsContact O-CB 3.27Å; S108-C112 WeakPolarHBondContact O-CB 3.49Å; S108-C112 PolarHBondContact O-N 3.08Å; M109-C112 PolarHBondContact O-N 3.29Å; K110-C112 VanDerWaalsContact C-N 3.33Å; K110-C112 PolarHBondContact O-N 3Å; C112-L114 PolarHBondContact O-N 3.3Å; C112-Q115 PolarHBondContact O-N 3.28Å; C112-Y116 VanDerWaalsContact O-CD2 3.27Å; C112-Y116 WeakPolarHBondContact O-CD2 3.43Å; C112-Y116 PolarHBondContact O-N 3.47Å; C112-Y116 VanDerWaalsContact O-N 3.08Å
113L96.3Very high92.7Very high0 Ų059.2 Ų59.20%030%0.3CS..Hα-helixtrans-59-45.5176.7-68.1170.4000112W102 M109 K110 Q115 Y116 L119 L120 M123 A140 I143W102-L113 HydrophobicContact CE3-CD2 4.48Å; W102-L113 HydrophobicContact CH2-CD1 3.65Å; W102-L113 HydrophobicContact CH2-CD2 3.63Å; W102-L113 HydrophobicContact CH2-CG 3.56Å; W102-L113 HydrophobicContact CZ2-CD1 4.3Å; W102-L113 HydrophobicContact CZ2-CD2 3.89Å; W102-L113 HydrophobicContact CZ2-CG 3.75Å; W102-L113 HydrophobicContact CZ3-CD1 4.35Å; W102-L113 HydrophobicContact CZ3-CD2 3.97Å; W102-L113 HydrophobicContact CZ3-CG 4.35Å; M109-L113 PolarHBondContact O-N 3.11Å; K110-L113 PolarHBondContact O-N 3.3Å; L113-Q115 VanDerWaalsContact C-N 3.32Å; L113-Q115 PolarHBondContact O-N 3.4Å; L113-Y116 CarbonylContact O-C 3.46Å; L113-Y116 PolarHBondContact O-N 3.13Å; L113-L119 HydrophobicContact CD2-CD2 4.31Å; L113-L119 HydrophobicContact CD2-CG 4.15Å; L113-L120 HydrophobicContact CB-CD1 4.34Å; L113-M123 HydrophobicContact CD2-CB 4.37Å; L113-M123 HydrophobicContact CD2-CG 4.17Å; L113-A140 HydrophobicContact CB-CB 4.11Å; L113-A140 HydrophobicContact CD1-CB 4.14Å; L113-I143 HydrophobicContact CD1-CB 3.84Å; L113-I143 HydrophobicContact CD1-CD1 4.23Å; L113-I143 HydrophobicContact CD1-CG2 3.57Å; L113-I143 HydrophobicContact CD2-CD1 4.21Å; L113-I143 HydrophobicContact CD2-CG2 4.16Å
114L95.9Very high92.8Very high64 Ų6456.6 Ų56.634%0.33528%0.284SS..Hα-helixtrans-69.1-30.7179.8-66.5175.2000113K110 Q111 C112 L120 N136 E137 A140K110-L114 HydrophobicContact CG-CD1 4.21Å; K110-L114 WeakPolarHBondContact O-CG 3.48Å; K110-L114 PolarHBondContact O-N 3.25Å; K110-L114 VanDerWaalsContact O-N 3.13Å; Q111-L114 PolarHBondContact O-N 2.78Å; C112-L114 PolarHBondContact O-N 3.3Å; L114-L120 HydrophobicContact CD2-CD1 4.43Å; L114-N136 HydrophobicContact CD2-CB 4.05Å; L114-N136 WeakPolarHBondContact CD2-O 3.35Å; L114-E137 HydrophobicContact CD1-CG 4.48Å; L114-E137 HydrophobicContact CD2-CG 4.29Å; L114-A140 HydrophobicContact CD2-CB 3.95Å; L114-A140 HydrophobicContact CG-CB 4.2Å
115Q96.4Very high92.9Very high111 Ų11160.4 Ų60.452%0.51931%0.311SS..Hα-helixtrans-74.1-28.8177.4-176.5175-6.600112.7Q111 C112 L113 P117Q111-Q115 VanDerWaalsContact O-CB 3.28Å; Q111-Q115 WeakPolarHBondContact O-CB 3.37Å; Q111-Q115 PolarHBondContact O-N 3.42Å; C112-Q115 PolarHBondContact O-N 3.28Å; L113-Q115 VanDerWaalsContact C-N 3.32Å; L113-Q115 PolarHBondContact O-N 3.4Å; Q115-P117 WeakPolarHBondContact O-CD 3.24Å
116Y96.1Very high93.2Very high121 Ų12158.4 Ų58.448%0.47530%0.3SS..  trans-123.387.3-175.2-60.2-70.7000111.5C112 L113 S118 L119 L120C112-Y116 VanDerWaalsContact O-CD2 3.27Å; C112-Y116 WeakPolarHBondContact O-CD2 3.43Å; C112-Y116 PolarHBondContact O-N 3.47Å; C112-Y116 VanDerWaalsContact O-N 3.08Å; L113-Y116 CarbonylContact O-C 3.46Å; L113-Y116 PolarHBondContact O-N 3.13Å; Y116-S118 VanDerWaalsContact C-N 3.27Å; Y116-S118 PolarHBondContact O-N 3.32Å; Y116-L119 WeakPolarHBondContact O-CA 3.19Å; Y116-L119 WeakPolarHBondContact O-CB 3.28Å; Y116-L119 PolarHBondContact O-N 3.31Å; Y116-L120 PolarHBondContact O-N 3.31Å; Y116-L120 VanDerWaalsContact O-N 3.11Å
117P94.3Very high93.7Very high68 Ų6857.6 Ų57.644%0.44229%0.294SS..Hα-helixtrans-55.2-36.8-177.4-28.835.5000114.7Q115 L119 L120 E121Q115-P117 WeakPolarHBondContact O-CD 3.24Å; P117-L119 VanDerWaalsContact C-N 3.28Å; P117-L119 PolarHBondContact O-N 3.37Å; P117-L120 WeakPolarHBondContact O-CB 3.43Å; P117-L120 PolarHBondContact O-N 3.44Å; P117-E121 WeakPolarHBondContact O-CG 3.3Å; P117-E121 PolarHBondContact O-N 3.14Å
118S95.8Very high94.1Very high91 Ų9155 Ų5564%0.63629%0.285SS*.Hα-helixtrans-65.5-31.517755.80000113.1Y116 R122Y116-S118 VanDerWaalsContact C-N 3.27Å; Y116-S118 PolarHBondContact O-N 3.32Å; S118-R122 VanDerWaalsContact O-CB 3.29Å; S118-R122 WeakPolarHBondContact O-CB 3.47Å; S118-R122 PolarHBondContact O-N 2.88Å; S118-R122 VanDerWaalsContact O-N 3.1Å
119L97.1Very high94.5Very high23 Ų2354.5 Ų54.512%0.1228%0.279CS..Hα-helixtrans-72.1-43.2173.317665.6000110.4W102 L113 Y116 P117 R122 M123W102-L119 HydrophobicContact CB-CD1 3.92Å; W102-L119 HydrophobicContact CD2-CD1 4.45Å; W102-L119 HydrophobicContact CD2-CD2 4.26Å; W102-L119 HydrophobicContact CG-CD1 3.93Å; W102-L119 HydrophobicContact CG-CD2 4.03Å; W102-L119 HydrophobicContact CG-CG 4.48Å; L113-L119 HydrophobicContact CD2-CD2 4.31Å; L113-L119 HydrophobicContact CD2-CG 4.15Å; Y116-L119 WeakPolarHBondContact O-CA 3.19Å; Y116-L119 WeakPolarHBondContact O-CB 3.28Å; Y116-L119 PolarHBondContact O-N 3.31Å; P117-L119 VanDerWaalsContact C-N 3.28Å; P117-L119 PolarHBondContact O-N 3.37Å; L119-R122 PolarHBondContact O-N 3.07Å; L119-M123 HydrophobicContact CD1-CE 4.26Å; L119-M123 HydrophobicContact CD1-CG 3.88Å; L119-M123 HydrophobicContact CD1-SD 4.44Å; L119-M123 HydrophobicContact CG-CG 4.27Å; L119-M123 WeakPolarHBondContact O-CB 3.43Å; L119-M123 VanDerWaalsContact O-CG 3.31Å; L119-M123 WeakPolarHBondContact O-CG 3.21Å; L119-M123 PolarHBondContact O-N 2.87Å
120L97.7Very high94.5Very high4 Ų458.9 Ų58.92%0.02130%0.303CS..Hα-helixtrans-57.4-48.7175.9180144.8000111.5L113 L114 Y116 P117 R122 M123 A124 N136 I139 A140 I143L113-L120 HydrophobicContact CB-CD1 4.34Å; L114-L120 HydrophobicContact CD2-CD1 4.43Å; Y116-L120 PolarHBondContact O-N 3.31Å; Y116-L120 VanDerWaalsContact O-N 3.11Å; P117-L120 WeakPolarHBondContact O-CB 3.43Å; P117-L120 PolarHBondContact O-N 3.44Å; L120-R122 PolarHBondContact O-N 3.21Å; L120-M123 PolarHBondContact O-N 3.09Å; L120-A124 VanDerWaalsContact O-CB 3.3Å; L120-A124 WeakPolarHBondContact O-CB 3.24Å; L120-A124 PolarHBondContact O-N 2.83Å; L120-N136 HydrophobicContact CD1-CB 4.1Å; L120-I139 HydrophobicContact CD2-CB 4.29Å; L120-I139 HydrophobicContact CD2-CD1 4.38Å; L120-I139 HydrophobicContact CD2-CG2 3.74Å; L120-I139 HydrophobicContact CG-CG2 4.04Å; L120-A140 HydrophobicContact CD1-CB 4.05Å; L120-I143 HydrophobicContact CG-CD1 4.16Å; L120-I143 WeakPolarHBondContact O-CD1 3.24Å
121E96Very high94.4Very high127 Ų12757.7 Ų57.759%0.59330%0.303SS*.Hα-helixtrans-61.1-44.1175.9-71.8173.2-171.900112.1P117 A124 S125P117-E121 WeakPolarHBondContact O-CG 3.3Å; P117-E121 PolarHBondContact O-N 3.14Å; E121-A124 PolarHBondContact O-N 2.99Å; E121-S125 WeakPolarHBondContact O-CB 3.32Å; E121-S125 PolarHBondContact O-N 2.88Å
122R96.5Very high94.4Very high81 Ų8157.2 Ų57.231%0.30630%0.304SS..Hα-helixtrans-63.1-45.8178.7-171.6-177.9-176.7-169.32111.8S118 L119 L120 S125 L126 E181S118-R122 VanDerWaalsContact O-CB 3.29Å; S118-R122 WeakPolarHBondContact O-CB 3.47Å; S118-R122 PolarHBondContact O-N 2.88Å; S118-R122 VanDerWaalsContact O-N 3.1Å; L119-R122 PolarHBondContact O-N 3.07Å; L120-R122 PolarHBondContact O-N 3.21Å; R122-S125 PolarHBondContact O-N 2.97Å; R122-L126 VanDerWaalsContact O-CB 3.3Å; R122-L126 WeakPolarHBondContact O-CB 3.27Å; R122-L126 PolarHBondContact O-N 2.95Å; R122-E181 IonicContact CZ-OE1 2.81Å; R122-E181 IonicContact CZ-OE2 2.84Å; R122-E181 IonicContact NE-OE1 3.77Å; R122-E181 PolarHBondContact NE-OE1 3.29Å; R122-E181 IonicContact NE-OE2 2.83Å; R122-E181 IonicContact NH2-OE1 3.26Å; R122-E181 PolarHBondContact NH2-OE1 2.86Å; R122-E181 VanDerWaalsContact NH2-OE1 3.15Å; R122-E181 IonicContact NH2-OE2 2.66Å; R122-E181 PolarHBondContact NH2-OE2 3.38Å
123M97.6Very high94.2Very high0 Ų064 Ų640%034%0.338CS..Hα-helixtrans-69.3-40.2179.3-66.9-58.195.500111.6A101 W102 L113 L119 L120 S125 L126 M127 I143 V178A101-M123 HydrophobicContact CB-CE 3.99Å; W102-M123 HydrophobicContact CB-SD 4.07Å; W102-M123 HydrophobicContact CD2-CG 4.45Å; W102-M123 HydrophobicContact CD2-SD 4.46Å; W102-M123 HydrophobicContact CE3-CG 3.83Å; W102-M123 HydrophobicContact CE3-SD 3.77Å; W102-M123 HydrophobicContact CZ3-CG 4.27Å; L113-M123 HydrophobicContact CD2-CB 4.37Å; L113-M123 HydrophobicContact CD2-CG 4.17Å; L119-M123 HydrophobicContact CD1-CE 4.26Å; L119-M123 HydrophobicContact CD1-CG 3.88Å; L119-M123 HydrophobicContact CD1-SD 4.44Å; L119-M123 HydrophobicContact CG-CG 4.27Å; L119-M123 WeakPolarHBondContact O-CB 3.43Å; L119-M123 VanDerWaalsContact O-CG 3.31Å; L119-M123 WeakPolarHBondContact O-CG 3.21Å; L119-M123 PolarHBondContact O-N 2.87Å; L120-M123 PolarHBondContact O-N 3.09Å; M123-S125 PolarHBondContact O-N 3.13Å; M123-L126 HydrophobicContact CE-CD1 4.32Å; M123-L126 PolarHBondContact O-N 3.24Å; M123-M127 HydrophobicContact CB-CE 4.33Å; M123-M127 WeakPolarHBondContact O-CB 3.29Å; M123-M127 VanDerWaalsContact O-CG 3.24Å; M123-M127 WeakPolarHBondContact O-CG 3.33Å; M123-M127 PolarHBondContact O-N 3.41Å; M123-M127 HydrophobicContact SD-CE 4.23Å; M123-I143 HydrophobicContact CB-CD1 3.95Å; M123-I143 HydrophobicContact CB-CG1 4.3Å; M123-I143 HydrophobicContact CB-CG2 3.98Å; M123-V178 HydrophobicContact SD-CB 4.21Å; M123-V178 HydrophobicContact SD-CG1 3.99Å; M123-V178 HydrophobicContact SD-CG2 4.42Å
124A96.5Very high94Very high0 Ų068.4 Ų68.40%036%0.359CS..Hα-helixtrans-59.3-47174.100000111.3L120 E121 M127 N128 I129 T131 I139 I143L120-A124 VanDerWaalsContact O-CB 3.3Å; L120-A124 WeakPolarHBondContact O-CB 3.24Å; L120-A124 PolarHBondContact O-N 2.83Å; E121-A124 PolarHBondContact O-N 2.99Å; A124-M127 CarbonylContact O-C 3.57Å; A124-M127 PolarHBondContact O-N 2.87Å; A124-N128 PolarHBondContact O-N 2.86Å; A124-I129 HydrophobicContact CB-CB 4.18Å; A124-I129 PolarHBondContact O-N 3.47Å; A124-T131 HydrophobicContact CB-CG2 3.47Å; A124-T131 VanDerWaalsContact CB-CG2 3.47Å; A124-I139 HydrophobicContact CB-CG2 3.96Å; A124-I143 HydrophobicContact CB-CD1 4.22Å
125S93.3Very high93.9Very high85 Ų8568.4 Ų68.459%0.59436%0.363SS*.Hα-helixtrans-62.7-43.7176.8-179.60000112.6E121 R122 M123 M127 N128E121-S125 WeakPolarHBondContact O-CB 3.32Å; E121-S125 PolarHBondContact O-N 2.88Å; R122-S125 PolarHBondContact O-N 2.97Å; M123-S125 PolarHBondContact O-N 3.13Å; S125-M127 VanDerWaalsContact C-N 3.29Å; S125-M127 PolarHBondContact O-N 3.37Å; S125-N128 PolarHBondContact O-N 3.45Å
126L93.9Very high93.9Very high5 Ų567 Ų673%0.02636%0.359CS..Hα-helixtrans-62.2-38178.3-174146.9000111.8R122 M123 Y150 V178 R185R122-L126 VanDerWaalsContact O-CB 3.3Å; R122-L126 WeakPolarHBondContact O-CB 3.27Å; R122-L126 PolarHBondContact O-N 2.95Å; M123-L126 HydrophobicContact CE-CD1 4.32Å; M123-L126 PolarHBondContact O-N 3.24Å; L126-Y150 HydrophobicContact CD2-CD1 3.56Å; L126-Y150 HydrophobicContact CD2-CE1 3.94Å; L126-Y150 HydrophobicContact CD2-CG 3.92Å; L126-V178 HydrophobicContact CD1-CG1 4.27Å; L126-V178 HydrophobicContact CD2-CG1 4.08Å; L126-R185 PolarHBondContact O-NH1 3.26Å; L126-R185 PolarHBondContact O-NH2 2.75Å
127M93.8Very high93.7Very high11 Ų1167.1 Ų67.15%0.05436%0.364CS..THydrogen-bonded Turntrans-92.49.1-178.4-57.6-179.3-167.700113.6M123 A124 S125 I129 I143 N146 V147 Y150 V178M123-M127 HydrophobicContact CB-CE 4.33Å; M123-M127 WeakPolarHBondContact O-CB 3.29Å; M123-M127 VanDerWaalsContact O-CG 3.24Å; M123-M127 WeakPolarHBondContact O-CG 3.33Å; M123-M127 PolarHBondContact O-N 3.41Å; M123-M127 HydrophobicContact SD-CE 4.23Å; A124-M127 CarbonylContact O-C 3.57Å; A124-M127 PolarHBondContact O-N 2.87Å; S125-M127 VanDerWaalsContact C-N 3.29Å; S125-M127 PolarHBondContact O-N 3.37Å; M127-I129 HydrophobicContact CB-CD1 3.84Å; M127-I129 HydrophobicContact CB-CG1 4.01Å; M127-I129 PolarHBondContact O-N 3.06Å; M127-I129 HydrophobicContact SD-CD1 4.37Å; M127-I143 HydrophobicContact CE-CG2 4.01Å; M127-I143 HydrophobicContact SD-CB 4.44Å; M127-I143 HydrophobicContact SD-CG2 3.91Å; M127-N146 HydrophobicContact SD-CB 4.33Å; M127-V147 HydrophobicContact CE-CB 3.84Å; M127-V147 HydrophobicContact CE-CG2 3.71Å; M127-V147 HydrophobicContact SD-CB 4.33Å; M127-Y150 HydrophobicContact CB-CD2 4.49Å; M127-Y150 HydrophobicContact CB-CE2 3.94Å; M127-Y150 HydrophobicContact CE-CD2 4.21Å; M127-Y150 HydrophobicContact CG-CD2 3.64Å; M127-Y150 HydrophobicContact CG-CE2 3.57Å; M127-Y150 HydrophobicContact CG-CG 4.31Å; M127-Y150 HydrophobicContact SD-CD2 4.1Å; M127-Y150 HydrophobicContact SD-CE2 4.4Å; M127-V178 HydrophobicContact CE-CG2 4.37Å
128N90.3Very high93.7Very high74 Ų7467.7 Ų67.740%0.39636%0.363SS..THydrogen-bonded Turntrans54.731.9-177.1-58.5-39.2000113.9R76 A124 S125R76-N128 PolarHBondContact O-ND2 2.93Å; A124-N128 PolarHBondContact O-N 2.86Å; S125-N128 PolarHBondContact O-N 3.45Å
129I91.8Very high93.7Very high23 Ų2363.6 Ų63.612%0.11833%0.334CS..  trans-82.5130.8178-64.8167.1000109.1A124 M127 T131 I139 D142 I143 N146A124-I129 HydrophobicContact CB-CB 4.18Å; A124-I129 PolarHBondContact O-N 3.47Å; M127-I129 HydrophobicContact CB-CD1 3.84Å; M127-I129 HydrophobicContact CB-CG1 4.01Å; M127-I129 PolarHBondContact O-N 3.06Å; M127-I129 HydrophobicContact SD-CD1 4.37Å; I129-T131 PolarHBondContact O-N 3.44Å; I129-I139 HydrophobicContact CG2-CG2 4.46Å; I129-D142 HydrophobicContact CD1-CB 4.05Å; I129-D142 HydrophobicContact CG2-CB 4.03Å; I129-I143 HydrophobicContact CD1-CB 4.21Å; I129-I143 HydrophobicContact CD1-CG1 3.56Å; I129-N146 HydrophobicContact CD1-CB 4.48Å
130N88.7Confident93.6Very high98 Ų9862.5 Ų62.552%0.52433%0.328SS..  trans-71.8126.7176-174.212.5000110.4L132N130-L132 WeakPolarHBondContact OD1-CB 3.13Å; N130-L132 PolarHBondContact OD1-N 3.29Å
131T90Very high93.4Very high66 Ų6664.1 Ų64.141%0.40534%0.34SS..  trans-108.2-1.6178.964.50000112.8A124 I129 N133 I139A124-T131 HydrophobicContact CB-CG2 3.47Å; A124-T131 VanDerWaalsContact CB-CG2 3.47Å; I129-T131 PolarHBondContact O-N 3.44Å; T131-N133 PolarHBondContact O-N 2.9Å; T131-I139 HydrophobicContact CG2-CD1 4.03Å; T131-I139 HydrophobicContact CG2-CG1 4.49Å; T131-I139 HydrophobicContact CG2-CG2 4.16Å
132L91Very high93.3Very high123 Ų12361.4 Ų61.464%0.64433%0.33SS*.THydrogen-bonded Turntrans-70114.8-175.2-74.4161.1000110.8N130 E134N130-L132 WeakPolarHBondContact OD1-CB 3.13Å; N130-L132 PolarHBondContact OD1-N 3.29Å; L132-E134 PolarHBondContact O-N 2.67Å
133N89.3Confident93.3Very high168 Ų16857.6 Ų57.690%0.89832%0.315SS*.THydrogen-bonded Turntrans63.99.3179.1-50-52.8000115.6T131T131-N133 PolarHBondContact O-N 2.9Å
134E91.4Very high93.2Very high93 Ų9358.9 Ų58.944%0.43532%0.324SS..  trans-88.8140.1175.9-65.1-56.714800110.7L132 I139L132-E134 PolarHBondContact O-N 2.67Å; E134-I139 HydrophobicContact CB-CD1 4.08Å; E134-I139 HydrophobicContact CB-CG1 3.77Å
135P95Very high93Very high65 Ų6565.3 Ų65.342%0.42235%0.352SS..  trans-70.2148.117531.4-34.2000110.5E137 D138 I139P135-E137 PolarHBondContact O-N 2.86Å; P135-D138 HydrophobicContact CG-CB 3.92Å; P135-D138 WeakPolarHBondContact CG-OD2 3.41Å; P135-D138 PolarHBondContact O-N 3.15Å; P135-I139 PolarHBondContact O-N 2.91Å; P135-I139 VanDerWaalsContact O-N 3.13Å
136N94.9Very high93Very high80 Ų8064 Ų6443%0.42834%0.338SS..Hα-helixtrans-56.5-28.6-179-72.5-0.8000113.7L114 L120 A140L114-N136 HydrophobicContact CD2-CB 4.05Å; L114-N136 WeakPolarHBondContact CD2-O 3.35Å; L120-N136 HydrophobicContact CD1-CB 4.1Å; N136-A140 WeakPolarHBondContact O-CB 3.48Å; N136-A140 PolarHBondContact O-N 3.24Å
137E93.5Very high93.1Very high125 Ų12563.7 Ų63.758%0.58434%0.337SS*.Hα-helixtrans-65.8-37.8176.9-68.4-171.8179.100112.8L114 P135 S141L114-E137 HydrophobicContact CD1-CG 4.48Å; L114-E137 HydrophobicContact CD2-CG 4.29Å; P135-E137 PolarHBondContact O-N 2.86Å; E137-S141 WeakPolarHBondContact O-CB 3.35Å; E137-S141 PolarHBondContact O-N 3.08Å; E137-S141 VanDerWaalsContact O-N 3.09Å; E137-S141 PolarHBondContact O-OG 3.48Å
138D93.5Very high93.2Very high79 Ų7963.4 Ų63.442%0.42234%0.335SS..Hα-helixtrans-77-44.8179.4-65.6-17.3000109.7P135 A140 S141 D142P135-D138 HydrophobicContact CG-CB 3.92Å; P135-D138 WeakPolarHBondContact CG-OD2 3.41Å; P135-D138 PolarHBondContact O-N 3.15Å; D138-A140 VanDerWaalsContact C-N 3.29Å; D138-A140 PolarHBondContact O-N 3.08Å; D138-S141 CarbonylContact O-C 3.42Å; D138-S141 WeakPolarHBondContact O-CA 3.31Å; D138-S141 WeakPolarHBondContact O-CB 3.4Å; D138-S141 PolarHBondContact O-N 2.83Å; D138-D142 PolarHBondContact O-N 3.47Å
139I96.3Very high93.3Very high5 Ų563.6 Ų63.63%0.02633%0.332CS..Hα-helixtrans-55.3-45.7172.7-59.5167.4000110.8L120 A124 I129 T131 E134 P135 S141 D142 I143L120-I139 HydrophobicContact CD2-CB 4.29Å; L120-I139 HydrophobicContact CD2-CD1 4.38Å; L120-I139 HydrophobicContact CD2-CG2 3.74Å; L120-I139 HydrophobicContact CG-CG2 4.04Å; A124-I139 HydrophobicContact CB-CG2 3.96Å; I129-I139 HydrophobicContact CG2-CG2 4.46Å; T131-I139 HydrophobicContact CG2-CD1 4.03Å; T131-I139 HydrophobicContact CG2-CG1 4.49Å; T131-I139 HydrophobicContact CG2-CG2 4.16Å; E134-I139 HydrophobicContact CB-CD1 4.08Å; E134-I139 HydrophobicContact CB-CG1 3.77Å; P135-I139 PolarHBondContact O-N 2.91Å; P135-I139 VanDerWaalsContact O-N 3.13Å; I139-S141 VanDerWaalsContact C-N 3.3Å; I139-S141 PolarHBondContact O-N 3Å; I139-D142 PolarHBondContact O-N 3.15Å; I139-I143 HydrophobicContact CG2-CD1 3.96Å; I139-I143 VanDerWaalsContact O-CG1 3.28Å; I139-I143 WeakPolarHBondContact O-CG1 3.24Å; I139-I143 PolarHBondContact O-N 3.04Å
140A95.2Very high93.5Very high0 Ų064.8 Ų64.80%034%0.336CS..Hα-helixtrans-64-36.3177.400000112.1K110 L113 L114 L120 N136 D138 I143 C144K110-A140 HydrophobicContact CG-CB 4.22Å; L113-A140 HydrophobicContact CB-CB 4.11Å; L113-A140 HydrophobicContact CD1-CB 4.14Å; L114-A140 HydrophobicContact CD2-CB 3.95Å; L114-A140 HydrophobicContact CG-CB 4.2Å; L120-A140 HydrophobicContact CD1-CB 4.05Å; N136-A140 WeakPolarHBondContact O-CB 3.48Å; N136-A140 PolarHBondContact O-N 3.24Å; D138-A140 VanDerWaalsContact C-N 3.29Å; D138-A140 PolarHBondContact O-N 3.08Å; A140-I143 PolarHBondContact O-N 3.11Å; A140-C144 WeakPolarHBondContact O-CB 3.5Å; A140-C144 PolarHBondContact O-N 3.43Å; A140-C144 PolarHBondContact O-SG 2.83Å
141S92.7Very high93.6Very high38 Ų3860.2 Ų60.227%0.26631%0.311SS..Hα-helixtrans-67.5-41.4177-56.30000111.4K110 E137 D138 I139 C144 K145K110-S141 WeakPolarHBondContact CE-OG 3.43Å; K110-S141 PolarHBondContact NZ-OG 2.93Å; E137-S141 WeakPolarHBondContact O-CB 3.35Å; E137-S141 PolarHBondContact O-N 3.08Å; E137-S141 VanDerWaalsContact O-N 3.09Å; E137-S141 PolarHBondContact O-OG 3.48Å; D138-S141 CarbonylContact O-C 3.42Å; D138-S141 WeakPolarHBondContact O-CA 3.31Å; D138-S141 WeakPolarHBondContact O-CB 3.4Å; D138-S141 PolarHBondContact O-N 2.83Å; I139-S141 VanDerWaalsContact C-N 3.3Å; I139-S141 PolarHBondContact O-N 3Å; S141-C144 PolarHBondContact O-N 3.34Å; S141-K145 WeakPolarHBondContact O-CB 3.1Å; S141-K145 PolarHBondContact O-N 2.83Å
142D94.3Very high93.7Very high71 Ų7159.6 Ų59.638%0.3830%0.301SS..Hα-helixtrans-64.9-40.4175.1-75.8-18.1000112I129 D138 I139 K145 N146I129-D142 HydrophobicContact CD1-CB 4.05Å; I129-D142 HydrophobicContact CG2-CB 4.03Å; D138-D142 PolarHBondContact O-N 3.47Å; I139-D142 PolarHBondContact O-N 3.15Å; D142-K145 PolarHBondContact O-N 2.99Å; D142-N146 WeakPolarHBondContact O-CB 3.26Å; D142-N146 PolarHBondContact O-N 3.17Å; D142-N146 PolarHBondContact O-ND2 3.39Å
143I97Very high93.8Very high0 Ų056.8 Ų56.80%028%0.283CS..Hα-helixtrans-60.1-50.7172.4-68.3162.5000109.6W102 L113 L120 M123 A124 M127 I129 I139 A140 K145 N146 V147W102-I143 HydrophobicContact CH2-CG2 4.41Å; W102-I143 HydrophobicContact CZ3-CG2 3.97Å; L113-I143 HydrophobicContact CD1-CB 3.84Å; L113-I143 HydrophobicContact CD1-CD1 4.23Å; L113-I143 HydrophobicContact CD1-CG2 3.57Å; L113-I143 HydrophobicContact CD2-CD1 4.21Å; L113-I143 HydrophobicContact CD2-CG2 4.16Å; L120-I143 HydrophobicContact CG-CD1 4.16Å; L120-I143 WeakPolarHBondContact O-CD1 3.24Å; M123-I143 HydrophobicContact CB-CD1 3.95Å; M123-I143 HydrophobicContact CB-CG1 4.3Å; M123-I143 HydrophobicContact CB-CG2 3.98Å; A124-I143 HydrophobicContact CB-CD1 4.22Å; M127-I143 HydrophobicContact CE-CG2 4.01Å; M127-I143 HydrophobicContact SD-CB 4.44Å; M127-I143 HydrophobicContact SD-CG2 3.91Å; I129-I143 HydrophobicContact CD1-CB 4.21Å; I129-I143 HydrophobicContact CD1-CG1 3.56Å; I139-I143 HydrophobicContact CG2-CD1 3.96Å; I139-I143 VanDerWaalsContact O-CG1 3.28Å; I139-I143 WeakPolarHBondContact O-CG1 3.24Å; I139-I143 PolarHBondContact O-N 3.04Å; A140-I143 PolarHBondContact O-N 3.11Å; I143-K145 PolarHBondContact O-N 2.73Å; I143-N146 PolarHBondContact O-N 2.91Å; I143-N146 VanDerWaalsContact O-N 3.12Å; I143-V147 VanDerWaalsContact O-CB 3.28Å; I143-V147 WeakPolarHBondContact O-CB 3.28Å; I143-V147 PolarHBondContact O-N 3.4Å
144C94.1Very high93.7Very high27 Ų2750.4 Ų50.418%0.18225%0.247CC..Hα-helixtrans-59.2-28.9179-69.70000113.3M109 A140 S141 W148M109-C144 HydrophobicContact SD-CB 3.83Å; M109-C144 PolarHBondContact SD-SG 2.95Å; A140-C144 WeakPolarHBondContact O-CB 3.5Å; A140-C144 PolarHBondContact O-N 3.43Å; A140-C144 PolarHBondContact O-SG 2.83Å; S141-C144 PolarHBondContact O-N 3.34Å; C144-W148 PolarHBondContact O-NE1 2.97Å
145K92.6Very high93.4Very high136 Ų13649 Ų4959%0.59124%0.239SC*.Hα-helixtrans-77.8-39.3175.8-173.9177.9177.1-177.40112.5S141 D142 I143 N445S141-K145 WeakPolarHBondContact O-CB 3.1Å; S141-K145 PolarHBondContact O-N 2.83Å; D142-K145 PolarHBondContact O-N 2.99Å; I143-K145 PolarHBondContact O-N 2.73Å; K145-N445 PolarHBondContact O-ND2 2.97Å
146N94.5Very high92.6Very high56 Ų5648.8 Ų48.830%0.29923%0.234SC..Hα-helixtrans-93.3-16.3-174.2-71.9-77.8000114.4M127 I129 D142 I143 W148 K149M127-N146 HydrophobicContact SD-CB 4.33Å; I129-N146 HydrophobicContact CD1-CB 4.48Å; D142-N146 WeakPolarHBondContact O-CB 3.26Å; D142-N146 PolarHBondContact O-N 3.17Å; D142-N146 PolarHBondContact O-ND2 3.39Å; I143-N146 PolarHBondContact O-N 2.91Å; I143-N146 VanDerWaalsContact O-N 3.12Å; N146-W148 PolarHBondContact O-N 3.37Å; N146-K149 PolarHBondContact O-N 3.21Å
147V96Very high91.5Very high0 Ų047.8 Ų47.80%023%0.233CC..G310 helixtrans-57.6-24.8-175.469.30000113.7W102 F104 M109 M127 I143 K149 Y150 C151 V178W102-V147 HydrophobicContact CZ3-CG2 4.11Å; F104-V147 HydrophobicContact CE1-CG2 4.08Å; F104-V147 HydrophobicContact CZ-CG2 3.82Å; M109-V147 HydrophobicContact CE-CG1 4.16Å; M109-V147 HydrophobicContact SD-CG1 3.82Å; M127-V147 HydrophobicContact CE-CB 3.84Å; M127-V147 HydrophobicContact CE-CG2 3.71Å; M127-V147 HydrophobicContact SD-CB 4.33Å; I143-V147 VanDerWaalsContact O-CB 3.28Å; I143-V147 WeakPolarHBondContact O-CB 3.28Å; I143-V147 PolarHBondContact O-N 3.4Å; V147-K149 PolarHBondContact O-N 3.17Å; V147-K149 VanDerWaalsContact O-N 3.17Å; V147-Y150 CarbonylContact O-C 3.03Å; V147-Y150 WeakPolarHBondContact O-CA 3.32Å; V147-Y150 PolarHBondContact O-N 3.22Å; V147-C151 HydrophobicContact CG2-CB 4.32Å; V147-C151 WeakPolarHBondContact O-CB 3.43Å; V147-C151 PolarHBondContact O-N 3.46Å; V147-V178 HydrophobicContact CG2-CG2 3.65Å
148W94.9Very high90.1Very high4 Ų444.3 Ų44.32%0.01522%0.221CC..G310 helixtrans-63.1-25.2-174.9-55.3103.8000113.4V106 M109 C144 N146 Y150 C151 W176 D447 R448 K451V106-W148 HydrophobicContact CG1-CH2 4.27Å; V106-W148 HydrophobicContact CG2-CH2 3.99Å; M109-W148 HydrophobicContact CE-CH2 3.95Å; M109-W148 HydrophobicContact CE-CZ2 3.74Å; C144-W148 PolarHBondContact O-NE1 2.97Å; N146-W148 PolarHBondContact O-N 3.37Å; W148-Y150 VanDerWaalsContact C-N 3.32Å; W148-C151 PolarHBondContact O-SG 3.31Å; W148-W176 HydrophobicContact CZ3-CD2 4.14Å; W148-W176 HydrophobicContact CZ3-CE3 4.23Å; W148-W176 HydrophobicContact CZ3-CH2 4.3Å; W148-W176 HydrophobicContact CZ3-CZ2 4.21Å; W148-W176 HydrophobicContact CZ3-CZ3 4.31Å; W148-D447 HydrophobicContact CB-CB 3.87Å; W148-R448 HydrophobicContact CD2-CB 3.71Å; W148-R448 HydrophobicContact CD2-CG 3.8Å; W148-R448 VanDerWaalsContact CE2-CG 3.46Å; W148-R448 HydrophobicContact CE3-CB 4.36Å; W148-R448 HydrophobicContact CE3-CG 4.14Å; W148-R448 HydrophobicContact CG-CB 3.84Å; W148-R448 HydrophobicContact CG-CG 4.45Å; W148-R448 HydrophobicContact CH2-CG 3.88Å; W148-R448 HydrophobicContact CZ2-CB 4.24Å; W148-R448 HydrophobicContact CZ2-CG 3.52Å; W148-R448 HydrophobicContact CZ3-CG 4.18Å; W148-K451 HydrophobicContact CB-CG 4.19Å; W148-K451 HydrophobicContact CE3-CB 4.22Å; W148-K451 WeakPolarHBondContact O-CG 3.39Å
149K93.1Very high88.6Confident78 Ų7849.6 Ų49.634%0.33924%0.243SC..G310 helixtrans-74.5-20.5172.4-49.8-167.4174.4-163.80113.3N146 V147 P243 W244 D447N146-K149 PolarHBondContact O-N 3.21Å; V147-K149 PolarHBondContact O-N 3.17Å; V147-K149 VanDerWaalsContact O-N 3.17Å; K149-P243 WeakPolarHBondContact CD-O 3.4Å; K149-P243 WeakPolarHBondContact CE-O 3.37Å; K149-P243 WeakPolarHBondContact CG-O 3.3Å; K149-W244 PolarHBondContact O-NE1 3.06Å; K149-D447 WeakPolarHBondContact CE-OD2 3.47Å
150Y94.8Very high86.9Confident49 Ų4957.5 Ų57.519%0.19228%0.28CS..THydrogen-bonded Turntrans-110.1-14.6-175.3-59.2-82.8000112.5L126 M127 V147 W148L126-Y150 HydrophobicContact CD2-CD1 3.56Å; L126-Y150 HydrophobicContact CD2-CE1 3.94Å; L126-Y150 HydrophobicContact CD2-CG 3.92Å; M127-Y150 HydrophobicContact CB-CD2 4.49Å; M127-Y150 HydrophobicContact CB-CE2 3.94Å; M127-Y150 HydrophobicContact CE-CD2 4.21Å; M127-Y150 HydrophobicContact CG-CD2 3.64Å; M127-Y150 HydrophobicContact CG-CE2 3.57Å; M127-Y150 HydrophobicContact CG-CG 4.31Å; M127-Y150 HydrophobicContact SD-CD2 4.1Å; M127-Y150 HydrophobicContact SD-CE2 4.4Å; V147-Y150 CarbonylContact O-C 3.03Å; V147-Y150 WeakPolarHBondContact O-CA 3.32Å; V147-Y150 PolarHBondContact O-N 3.22Å; W148-Y150 VanDerWaalsContact C-N 3.32Å
151C91.2Very high85.2Confident1 Ų159.5 Ų59.51%0.00729%0.29CS..EExtended strand (participates in β ladder)trans-84.3140.8-173.777.50000112.5V147 W148 W176 Y177V147-C151 HydrophobicContact CG2-CB 4.32Å; V147-C151 WeakPolarHBondContact O-CB 3.43Å; V147-C151 PolarHBondContact O-N 3.46Å; W148-C151 PolarHBondContact O-SG 3.31Å; C151-W176 HydrophobicContact CB-CE3 4.1Å; C151-W176 VanDerWaalsContact SG-CE3 3.5Å; C151-Y177 VanDerWaalsContact CA-O 3.31Å; C151-Y177 WeakPolarHBondContact CA-O 3.33Å
152R93.3Very high83.6Confident53 Ų5363 Ų6320%0.230%0.304CS..EExtended strand (participates in β ladder)trans-117.9175.7162.9-63.8-178.9-177-145.31.1107.7W176 Y177 M196R152-W176 WeakPolarHBondContact O-CA 3.23Å; R152-Y177 HydrophobicContact CB-CD1 4.18Å; R152-Y177 HydrophobicContact CB-CD2 4.4Å; R152-Y177 HydrophobicContact CB-CE1 3.51Å; R152-Y177 HydrophobicContact CB-CE2 3.79Å; R152-Y177 WeakPolarHBondContact CB-OH 3.03Å; R152-Y177 HydrophobicContact CG-CE2 4.49Å; R152-Y177 PolarHBondContact N-O 3.29Å; R152-Y177 WeakPolarHBondContact O-CD1 3.05Å; R152-Y177 PolarHBondContact O-N 2.89Å; R152-M196 PolarHBondContact NH1-SD 3.47Å
153Y91.8Very high81.9Confident65 Ų6564 Ų6426%0.25532%0.316SS..EExtended strand (participates in β ladder)trans-139.5157.4178.372.1-79.7000112.1T174 M175 W176 D454Y153-T174 HydrophobicContact CD2-CG2 4.16Å; Y153-T174 HydrophobicContact CG-CG2 4.42Å; Y153-M175 CarbonylContact C-O 3.55Å; Y153-M175 WeakPolarHBondContact CA-O 3.21Å; Y153-M175 WeakPolarHBondContact CB-O 3.39Å; Y153-W176 HydrophobicContact CD1-CH2 4.45Å; Y153-W176 HydrophobicContact CD1-CZ3 4.16Å; Y153-W176 HydrophobicContact CG-CZ3 4.4Å; Y153-D454 HydrophobicContact CE1-CB 3.65Å; Y153-D454 VanDerWaalsContact OH-C 3.28Å; Y153-D454 PolarHBondContact OH-O 3.18Å
154Y88Confident80.2Confident34 Ų3467.9 Ų67.913%0.13334%0.337CS..EExtended strand (participates in β ladder)trans-139159.6162.455.5-102.1000109H100 T103 L156 M175 Y177 C207H100-Y154 AromaticContact CE1-CE1 3.96Å; H100-Y154 AromaticContact ND1-CE1 3.92Å; T103-Y154 VanDerWaalsContact CG2-OH 3.26Å; T103-Y154 WeakPolarHBondContact CG2-OH 3.47Å; Y154-L156 HydrophobicContact CD2-CD1 4.45Å; Y154-L156 HydrophobicContact CD2-CD2 3.75Å; Y154-L156 HydrophobicContact CD2-CG 3.77Å; Y154-L156 HydrophobicContact CE2-CD1 3.78Å; Y154-L156 HydrophobicContact CE2-CD2 3.75Å; Y154-L156 HydrophobicContact CE2-CG 3.6Å; Y154-M175 HydrophobicContact CD2-CB 3.93Å; Y154-M175 HydrophobicContact CD2-CG 4.45Å; Y154-M175 HydrophobicContact CE1-CB 4.47Å; Y154-M175 HydrophobicContact CE2-CB 3.43Å; Y154-M175 VanDerWaalsContact CE2-CB 3.43Å; Y154-M175 HydrophobicContact CE2-CG 3.8Å; Y154-M175 PolarHBondContact N-O 2.85Å; Y154-M175 PolarHBondContact O-N 2.82Å; Y154-Y177 AromaticContact CD1-CD1 3.48Å; Y154-Y177 HydrophobicContact CD1-CD1 3.48Å; Y154-Y177 VanDerWaalsContact CD1-CD1 3.48Å; Y154-Y177 AromaticContact CD1-CE1 3.52Å; Y154-Y177 HydrophobicContact CD1-CE1 3.52Å; Y154-Y177 HydrophobicContact CD1-CG 4.46Å; Y154-Y177 AromaticContact CE1-CD1 3.59Å; Y154-Y177 HydrophobicContact CE1-CD1 3.59Å; Y154-Y177 HydrophobicContact CE1-CE1 4.06Å; Y154-Y177 HydrophobicContact CE1-CG 4.19Å; Y154-C207 HydrophobicContact CD1-CB 4.38Å; Y154-C207 HydrophobicContact CE1-CB 3.74Å
155K84.9Confident78.5Confident62 Ų6267.8 Ų67.827%0.2733%0.334SS..EExtended strand (participates in β ladder)trans-107.8126.7179.1-70.4-169.7-174.8-177.10110.1Q172 Q173 G455 N456K155-Q172 HydrophobicContact CB-CB 3.88Å; K155-Q172 HydrophobicContact CB-CG 4.5Å; K155-Q172 HydrophobicContact CD-CB 4.24Å; K155-Q172 HydrophobicContact CG-CB 4.47Å; K155-Q173 CarbonylContact C-O 3.56Å; K155-Q173 WeakPolarHBondContact CA-O 3.38Å; K155-G455 VanDerWaalsContact CE-O 3.22Å; K155-G455 WeakPolarHBondContact CE-O 3.49Å; K155-G455 PolarHBondContact NZ-O 2.89Å; K155-N456 PolarHBondContact NZ-OD1 2.85Å
156L78.6Confident76.8Confident62 Ų6266.2 Ų66.233%0.32534%0.34SS..EExtended strand (participates in β ladder)trans-105.3134.1176.3-64.1-177.2000111Y154 Q172 Q173 M175Y154-L156 HydrophobicContact CD2-CD1 4.45Å; Y154-L156 HydrophobicContact CD2-CD2 3.75Å; Y154-L156 HydrophobicContact CD2-CG 3.77Å; Y154-L156 HydrophobicContact CE2-CD1 3.78Å; Y154-L156 HydrophobicContact CE2-CD2 3.75Å; Y154-L156 HydrophobicContact CE2-CG 3.6Å; L156-Q172 CarbonylContact O-C 3.56Å; L156-Q172 WeakPolarHBondContact O-CA 3.19Å; L156-Q173 PolarHBondContact N-O 3.48Å; L156-Q173 PolarHBondContact O-N 2.83Å; L156-M175 HydrophobicContact CD1-CG 3.92Å; L156-M175 HydrophobicContact CG-CG 4.23Å
157S71.1Confident74.9Confident58 Ų5870.7 Ų70.741%0.40636%0.359SS..  trans-91.2121.9167.248.80000110.3
158T64.8Low73.3Confident53 Ų5373 Ų7333%0.32537%0.373SS..  trans-78150167.955.80000110E160 N161 M162T158-E160 PolarHBondContact O-N 2.8Å; T158-N161 PolarHBondContact O-N 2.77Å; T158-N161 VanDerWaalsContact O-N 3.14Å; T158-N161 PolarHBondContact OG1-ND2 3.47Å; T158-M162 PolarHBondContact O-N 3.14Å
159Q62.5Low71.5Confident189 Ų18976 Ų7688%0.88339%0.393SS*.G310 helixtrans-56.5-33.9178.8-73.3-172.4-3.400112.6N161 M162Q159-N161 VanDerWaalsContact C-N 3.28Å; Q159-N161 PolarHBondContact O-N 3.48Å; Q159-M162 PolarHBondContact O-N 2.99Å
160E59.8Low70.1Confident172 Ų17274.2 Ų74.280%0.80439%0.386SS*.G310 helixtrans-61.5-34.4-179.5-63.2-179.9171.400112.8T158T158-E160 PolarHBondContact O-N 2.8Å
161N60.1Low68.7Low41 Ų4174.8 Ų74.822%0.21939%0.392CS..G310 helixtrans-95.9-6.9-175-68.5-21.7000113.4T158 Q159 S163 L164 L165 L171T158-N161 PolarHBondContact O-N 2.77Å; T158-N161 VanDerWaalsContact O-N 3.14Å; T158-N161 PolarHBondContact OG1-ND2 3.47Å; Q159-N161 VanDerWaalsContact C-N 3.28Å; Q159-N161 PolarHBondContact O-N 3.48Å; N161-S163 PolarHBondContact O-N 3.21Å; N161-S163 VanDerWaalsContact O-N 3.09Å; N161-L164 PolarHBondContact O-N 2.87Å; N161-L165 HydrophobicContact CB-CG 4.46Å; N161-L165 WeakPolarHBondContact O-CG 3.36Å; N161-L165 PolarHBondContact O-N 2.81Å; N161-L171 HydrophobicContact CB-CB 4.31Å; N161-L171 HydrophobicContact CB-CD1 4.48Å
162M59.2Low67.8Low113 Ų11377.7 Ų77.756%0.55741%0.406SS*.THydrogen-bonded Turntrans-52.8-38.1-171.9-77.1-70.3-74.200113.9T158 Q159 L164 L165T158-M162 PolarHBondContact O-N 3.14Å; Q159-M162 PolarHBondContact O-N 2.99Å; M162-L164 VanDerWaalsContact C-N 3.33Å; M162-L164 PolarHBondContact O-N 2.75Å; M162-L165 HydrophobicContact SD-CD1 3.94Å
163S58.7Low67Low92 Ų9279.6 Ų79.664%0.64342%0.417SS*.THydrogen-bonded Turntrans-69-30178.556.60000113.3N161N161-S163 PolarHBondContact O-N 3.21Å; N161-S163 VanDerWaalsContact O-N 3.09Å
164L59.4Low66.7Low81 Ų8178.1 Ų78.142%0.42442%0.415SS..THydrogen-bonded Turntrans-92.8-18.3-176.6-62.4176.4000113N161 M162 S166 Q167 V168 L171N161-L164 PolarHBondContact O-N 2.87Å; M162-L164 VanDerWaalsContact C-N 3.33Å; M162-L164 PolarHBondContact O-N 2.75Å; L164-S166 VanDerWaalsContact C-N 3.26Å; L164-S166 PolarHBondContact O-N 2.64Å; L164-Q167 WeakPolarHBondContact O-CA 3.29Å; L164-Q167 PolarHBondContact O-N 3.02Å; L164-V168 PolarHBondContact O-N 3.18Å; L164-L171 HydrophobicContact CB-CD1 3.71Å; L164-L171 HydrophobicContact CD1-CD1 4.24Å
165L58.4Low66.7Low24 Ų2477.7 Ų77.713%0.12641%0.414CS..THydrogen-bonded Turntrans-60.3-31.3-175.9-77.3174.4000114.5N161 M162 Q167 V168 P169 L171 Q172N161-L165 HydrophobicContact CB-CG 4.46Å; N161-L165 WeakPolarHBondContact O-CG 3.36Å; N161-L165 PolarHBondContact O-N 2.81Å; M162-L165 HydrophobicContact SD-CD1 3.94Å; L165-Q167 PolarHBondContact O-N 3.28Å; L165-V168 CarbonylContact O-C 3.54Å; L165-P169 WeakPolarHBondContact O-CD 3.4Å; L165-L171 HydrophobicContact CD2-CB 4.05Å; L165-Q172 HydrophobicContact CD2-CG 3.56Å
166S57.6Low67.1Low103 Ų10375.5 Ų75.572%0.7240%0.404SS*.THydrogen-bonded Turntrans-62.1-24.3174.663.60000113L164L164-S166 VanDerWaalsContact C-N 3.26Å; L164-S166 PolarHBondContact O-N 2.64Å
167Q53.8Low67.9Low150 Ų15072.7 Ų72.770%0.70139%0.39SS*.THydrogen-bonded Turntrans-102.5-33.2-179.1-60.4177.117.600111.9L164 L165L164-Q167 WeakPolarHBondContact O-CA 3.29Å; L164-Q167 PolarHBondContact O-N 3.02Å; L165-Q167 PolarHBondContact O-N 3.28Å
168V62.6Low69.2Low48 Ų4870 Ų7029%0.29137%0.37SS..  trans-136.476.9-177.8-165.70000109.7L164 L165 E170 L171L164-V168 PolarHBondContact O-N 3.18Å; L165-V168 CarbonylContact O-C 3.54Å; V168-E170 HydrophobicContact CG1-CB 4.32Å; V168-E170 WeakPolarHBondContact CG1-OE2 3.32Å; V168-E170 PolarHBondContact O-N 3.45Å; V168-E170 VanDerWaalsContact O-N 3.09Å; V168-L171 HydrophobicContact CB-CD1 3.96Å; V168-L171 HydrophobicContact CB-CG 3.93Å; V168-L171 HydrophobicContact CG1-CD1 4.35Å; V168-L171 HydrophobicContact CG1-CD2 4.47Å; V168-L171 HydrophobicContact CG1-CG 3.8Å; V168-L171 WeakPolarHBondContact O-CB 3.46Å; V168-L171 PolarHBondContact O-N 3.41Å; V168-L171 VanDerWaalsContact O-N 3.09Å
169P58.5Low70.7Confident68 Ų6867.6 Ų67.644%0.44236%0.355SS..G310 helixtrans-54.3-25.4175.1-25.334.1000113.3L165 L171 Q172L165-P169 WeakPolarHBondContact O-CD 3.4Å; P169-L171 PolarHBondContact O-N 3.24Å; P169-L171 VanDerWaalsContact O-N 3.16Å; P169-Q172 VanDerWaalsContact O-CG 3.3Å; P169-Q172 WeakPolarHBondContact O-CG 3.34Å; P169-Q172 PolarHBondContact O-N 2.76Å; P169-Q172 VanDerWaalsContact O-N 3.14Å
170E62.5Low72.3Confident40 Ų4059.5 Ų59.519%0.18732%0.318CS..G310 helixtrans-67.9-8.4179.3-54.691.9152.700113.7V168 Q172 N433 L434V168-E170 HydrophobicContact CG1-CB 4.32Å; V168-E170 WeakPolarHBondContact CG1-OE2 3.32Å; V168-E170 PolarHBondContact O-N 3.45Å; V168-E170 VanDerWaalsContact O-N 3.09Å; E170-Q172 PolarHBondContact O-N 3.17Å; E170-N433 PolarHBondContact OE1-ND2 2.85Å; E170-L434 HydrophobicContact CB-CD1 4.08Å; E170-L434 HydrophobicContact CB-CD2 3.62Å; E170-L434 HydrophobicContact CB-CG 3.84Å
171L65.1Low73.9Confident61 Ų6154.7 Ų54.732%0.31930%0.296SS..G310 helixtrans-72.6-8.9170.1-68.1175.2000113.2N161 L164 L165 V168 P169N161-L171 HydrophobicContact CB-CB 4.31Å; N161-L171 HydrophobicContact CB-CD1 4.48Å; L164-L171 HydrophobicContact CB-CD1 3.71Å; L164-L171 HydrophobicContact CD1-CD1 4.24Å; L165-L171 HydrophobicContact CD2-CB 4.05Å; V168-L171 HydrophobicContact CB-CD1 3.96Å; V168-L171 HydrophobicContact CB-CG 3.93Å; V168-L171 HydrophobicContact CG1-CD1 4.35Å; V168-L171 HydrophobicContact CG1-CD2 4.47Å; V168-L171 HydrophobicContact CG1-CG 3.8Å; V168-L171 WeakPolarHBondContact O-CB 3.46Å; V168-L171 PolarHBondContact O-N 3.41Å; V168-L171 VanDerWaalsContact O-N 3.09Å; P169-L171 PolarHBondContact O-N 3.24Å; P169-L171 VanDerWaalsContact O-N 3.16Å
172Q73.8Confident75.5Confident62 Ų6254.3 Ų54.329%0.2930%0.295SS..SBendtrans-66.1135.4173-66.1179.1-45.600110.8K155 L156 L165 P169 E170 T174K155-Q172 HydrophobicContact CB-CB 3.88Å; K155-Q172 HydrophobicContact CB-CG 4.5Å; K155-Q172 HydrophobicContact CD-CB 4.24Å; K155-Q172 HydrophobicContact CG-CB 4.47Å; L156-Q172 CarbonylContact O-C 3.56Å; L156-Q172 WeakPolarHBondContact O-CA 3.19Å; L165-Q172 HydrophobicContact CD2-CG 3.56Å; P169-Q172 VanDerWaalsContact O-CG 3.3Å; P169-Q172 WeakPolarHBondContact O-CG 3.34Å; P169-Q172 PolarHBondContact O-N 2.76Å; P169-Q172 VanDerWaalsContact O-N 3.14Å; E170-Q172 PolarHBondContact O-N 3.17Å; Q172-T174 PolarHBondContact O-N 3.17Å
173Q76.8Confident77.2Confident93 Ų9349 Ų4944%0.43527%0.27SS..EExtended strand (participates in β ladder)trans-75.2124.7173.7-175.7174.1-2.200109.2K155 L156 M175K155-Q173 CarbonylContact C-O 3.56Å; K155-Q173 WeakPolarHBondContact CA-O 3.38Å; L156-Q173 PolarHBondContact N-O 3.48Å; L156-Q173 PolarHBondContact O-N 2.83Å; Q173-M175 HydrophobicContact CG-SD 4.03Å
174T84.2Confident78.9Confident34 Ų3445.2 Ų45.221%0.20924%0.243CC..EExtended strand (participates in β ladder)trans-81.3123171.8-57.60000108.7Y153 Q172 W176Y153-T174 HydrophobicContact CD2-CG2 4.16Å; Y153-T174 HydrophobicContact CG-CG2 4.42Å; Q172-T174 PolarHBondContact O-N 3.17Å; T174-W176 HydrophobicContact CG2-CZ2 4.25Å
175M88.3Confident80.6Confident26 Ų2642.3 Ų42.313%0.12823%0.226CC..EExtended strand (participates in β ladder)trans-108.8132.5173-65.3-56.1-60.200108.7T103 Y153 Y154 L156 Q173T103-M175 HydrophobicContact CG2-CB 4.46Å; T103-M175 HydrophobicContact CG2-CE 3.73Å; Y153-M175 CarbonylContact C-O 3.55Å; Y153-M175 WeakPolarHBondContact CA-O 3.21Å; Y153-M175 WeakPolarHBondContact CB-O 3.39Å; Y154-M175 HydrophobicContact CD2-CB 3.93Å; Y154-M175 HydrophobicContact CD2-CG 4.45Å; Y154-M175 HydrophobicContact CE1-CB 4.47Å; Y154-M175 HydrophobicContact CE2-CB 3.43Å; Y154-M175 VanDerWaalsContact CE2-CB 3.43Å; Y154-M175 HydrophobicContact CE2-CG 3.8Å; Y154-M175 PolarHBondContact N-O 2.85Å; Y154-M175 PolarHBondContact O-N 2.82Å; L156-M175 HydrophobicContact CD1-CG 3.92Å; L156-M175 HydrophobicContact CG-CG 4.23Å; Q173-M175 HydrophobicContact CG-SD 4.03Å
176W93.7Very high82.4Confident16 Ų1641.2 Ų41.26%0.06122%0.22CC..EExtended strand (participates in β ladder)trans-99.8147.6175.2-62.390.8000109.3T103 F104 V106 W148 C151 R152 Y153 T174 K451T103-W176 CarbonylContact C-O 3.56Å; T103-W176 WeakPolarHBondContact CA-O 3.1Å; F104-W176 HydrophobicContact CD2-CB 3.94Å; F104-W176 HydrophobicContact CE1-CB 4.15Å; F104-W176 HydrophobicContact CE2-CB 3.44Å; F104-W176 VanDerWaalsContact CE2-CB 3.44Å; F104-W176 HydrophobicContact CE2-CG 4.07Å; F104-W176 HydrophobicContact CG-CB 4.46Å; F104-W176 HydrophobicContact CZ-CB 3.58Å; F104-W176 HydrophobicContact CZ-CG 4.5Å; F104-W176 PolarHBondContact N-O 3.4Å; F104-W176 PolarHBondContact O-N 3.3Å; V106-W176 HydrophobicContact CG2-CG 4.48Å; W148-W176 HydrophobicContact CZ3-CD2 4.14Å; W148-W176 HydrophobicContact CZ3-CE3 4.23Å; W148-W176 HydrophobicContact CZ3-CH2 4.3Å; W148-W176 HydrophobicContact CZ3-CZ2 4.21Å; W148-W176 HydrophobicContact CZ3-CZ3 4.31Å; C151-W176 HydrophobicContact CB-CE3 4.1Å; C151-W176 VanDerWaalsContact SG-CE3 3.5Å; R152-W176 WeakPolarHBondContact O-CA 3.23Å; Y153-W176 HydrophobicContact CD1-CH2 4.45Å; Y153-W176 HydrophobicContact CD1-CZ3 4.16Å; Y153-W176 HydrophobicContact CG-CZ3 4.4Å; T174-W176 HydrophobicContact CG2-CZ2 4.25Å; W176-K451 HydrophobicContact CH2-CB 4.09Å; W176-K451 WeakPolarHBondContact CH2-O 3.38Å; W176-K451 HydrophobicContact CZ3-CB 4.13Å
177Y95.5Very high84.1Confident3 Ų339.5 Ų39.51%0.01220%0.201CC..EExtended strand (participates in β ladder)trans-147.9148.2178.468.8-84.6000112.3H100 W102 C151 R152 Y154 L179H100-Y177 HydrophobicContact CB-CD2 4.37Å; H100-Y177 AromaticContact CD2-CD2 3.62Å; H100-Y177 AromaticContact CD2-CE2 3.76Å; H100-Y177 AromaticContact CE1-CD2 3.42Å; H100-Y177 VanDerWaalsContact CE1-CD2 3.42Å; H100-Y177 WeakPolarHBondContact CE1-CD2 3.39Å; H100-Y177 AromaticContact CE1-CE2 3.41Å; H100-Y177 VanDerWaalsContact CE1-CE2 3.41Å; H100-Y177 WeakPolarHBondContact CE1-CE2 3.31Å; H100-Y177 AromaticContact CE1-CG 3.76Å; H100-Y177 AromaticContact CE1-CZ 3.75Å; H100-Y177 AromaticContact CG-CD2 3.59Å; H100-Y177 AromaticContact ND1-CD2 3.47Å; H100-Y177 WeakPolarHBondContact ND1-CD2 3.49Å; H100-Y177 AromaticContact ND1-CE2 3.96Å; H100-Y177 AromaticContact ND1-CG 3.6Å; H100-Y177 AromaticContact NE2-CD2 3.52Å; H100-Y177 AromaticContact NE2-CE2 3.27Å; H100-Y177 VanDerWaalsContact NE2-CE2 3.27Å; H100-Y177 WeakPolarHBondContact NE2-CE2 3.32Å; H100-Y177 AromaticContact NE2-CZ 3.89Å; W102-Y177 CarbonylContact O-C 3.55Å; W102-Y177 WeakPolarHBondContact O-CA 3.21Å; W102-Y177 WeakPolarHBondContact O-CB 3.4Å; C151-Y177 VanDerWaalsContact CA-O 3.31Å; C151-Y177 WeakPolarHBondContact CA-O 3.33Å; R152-Y177 HydrophobicContact CB-CD1 4.18Å; R152-Y177 HydrophobicContact CB-CD2 4.4Å; R152-Y177 HydrophobicContact CB-CE1 3.51Å; R152-Y177 HydrophobicContact CB-CE2 3.79Å; R152-Y177 WeakPolarHBondContact CB-OH 3.03Å; R152-Y177 HydrophobicContact CG-CE2 4.49Å; R152-Y177 PolarHBondContact N-O 3.29Å; R152-Y177 WeakPolarHBondContact O-CD1 3.05Å; R152-Y177 PolarHBondContact O-N 2.89Å; Y154-Y177 AromaticContact CD1-CD1 3.48Å; Y154-Y177 HydrophobicContact CD1-CD1 3.48Å; Y154-Y177 VanDerWaalsContact CD1-CD1 3.48Å; Y154-Y177 AromaticContact CD1-CE1 3.52Å; Y154-Y177 HydrophobicContact CD1-CE1 3.52Å; Y154-Y177 HydrophobicContact CD1-CG 4.46Å; Y154-Y177 AromaticContact CE1-CD1 3.59Å; Y154-Y177 HydrophobicContact CE1-CD1 3.59Å; Y154-Y177 HydrophobicContact CE1-CE1 4.06Å; Y154-Y177 HydrophobicContact CE1-CG 4.19Å; Y177-L179 HydrophobicContact CD2-CD2 4.11Å; Y177-L179 HydrophobicContact CE2-CD2 3.59Å; Y177-L179 HydrophobicContact CE2-CG 4.32Å
178V97.7Very high86.1Confident0 Ų033.5 Ų33.50%017%0.173CC..EExtended strand (participates in β ladder)trans-107.3133171.5178.20000107.5H100 A101 W102 F104 M123 L126 M127 V147H100-V178 CarbonylContact C-O 3.42Å; A101-V178 PolarHBondContact N-O 3.4Å; W102-V178 HydrophobicContact CB-CB 4.34Å; W102-V178 HydrophobicContact CE3-CG2 4.19Å; W102-V178 PolarHBondContact N-O 3.23Å; W102-V178 PolarHBondContact O-N 3.08Å; F104-V178 HydrophobicContact CE1-CG2 4.23Å; M123-V178 HydrophobicContact SD-CB 4.21Å; M123-V178 HydrophobicContact SD-CG1 3.99Å; M123-V178 HydrophobicContact SD-CG2 4.42Å; L126-V178 HydrophobicContact CD1-CG1 4.27Å; L126-V178 HydrophobicContact CD2-CG1 4.08Å; M127-V178 HydrophobicContact CE-CG2 4.37Å; V147-V178 HydrophobicContact CG2-CG2 3.65Å
179L97Very high87.8Confident3 Ų332.9 Ų32.92%0.01617%0.171CC..  trans-71.7163.2177.6-60.6171.4000110.8V98 D99 A101 Y177 G183 S184 M196 S209V98-L179 HydrophobicContact CG1-CB 3.99Å; V98-L179 HydrophobicContact CG1-CD1 4.47Å; V98-L179 HydrophobicContact CG1-CD2 3.78Å; V98-L179 HydrophobicContact CG1-CG 4.3Å; D99-L179 CarbonylContact O-C 3.59Å; D99-L179 WeakPolarHBondContact O-CA 3.27Å; A101-L179 WeakPolarHBondContact CB-O 3.28Å; Y177-L179 HydrophobicContact CD2-CD2 4.11Å; Y177-L179 HydrophobicContact CE2-CD2 3.59Å; Y177-L179 HydrophobicContact CE2-CG 4.32Å; L179-G183 VanDerWaalsContact CD1-C 3.5Å; L179-G183 WeakPolarHBondContact CD1-O 3.35Å; L179-S184 PolarHBondContact O-OG 3.27Å; L179-M196 HydrophobicContact CD1-CE 4.2Å; L179-M196 HydrophobicContact CD1-SD 3.48Å; L179-M196 WeakPolarHBondContact CD1-SD 3.48Å; L179-M196 HydrophobicContact CD2-SD 4.32Å; L179-S209 WeakPolarHBondContact CD2-OG 3.25Å
180D95.3Very high89.5Confident19 Ų1934.4 Ų34.410%0.10218%0.175CC..  trans-57.9177.2165.770.628.3000113.4V98 D99 V182 G183 S184V98-D180 WeakPolarHBondContact CG1-OD1 3.38Å; D99-D180 HydrophobicContact CB-CB 4.3Å; D99-D180 PolarHBondContact N-OD2 3.19Å; D99-D180 PolarHBondContact O-N 2.84Å; D180-V182 PolarHBondContact O-N 2.67Å; D180-V182 PolarHBondContact OD1-N 3.32Å; D180-G183 PolarHBondContact O-N 3.28Å; D180-G183 PolarHBondContact OD1-N 3.21Å; D180-S184 VanDerWaalsContact O-CB 3.28Å; D180-S184 WeakPolarHBondContact O-CB 3.49Å; D180-S184 PolarHBondContact O-N 2.82Å; D180-S184 PolarHBondContact O-OG 3.47Å
181E93.6Very high91.1Very high72 Ų7239.9 Ų39.934%0.33620%0.201SC..THydrogen-bonded Turntrans-59.6-30.9-177.1-66.674.9-168.800112.6M52 R122 R185M52-E181 HydrophobicContact CE-CB 4.4Å; M52-E181 HydrophobicContact SD-CB 4.08Å; R122-E181 IonicContact CZ-OE1 2.81Å; R122-E181 IonicContact CZ-OE2 2.84Å; R122-E181 IonicContact NE-OE1 3.77Å; R122-E181 PolarHBondContact NE-OE1 3.29Å; R122-E181 IonicContact NE-OE2 2.83Å; R122-E181 IonicContact NH2-OE1 3.26Å; R122-E181 PolarHBondContact NH2-OE1 2.86Å; R122-E181 VanDerWaalsContact NH2-OE1 3.15Å; R122-E181 IonicContact NH2-OE2 2.66Å; R122-E181 PolarHBondContact NH2-OE2 3.38Å; E181-R185 WeakPolarHBondContact O-CG 3.4Å
182V93.6Very high92.7Very high33 Ų3338.3 Ų38.320%0.219%0.194CC..THydrogen-bonded Turntrans-76.7-49.7177.4177.10000109.4V50 M52 D180 S184 R185 I186V50-V182 HydrophobicContact CG2-CG1 4.3Å; M52-V182 HydrophobicContact SD-CG2 4.41Å; D180-V182 PolarHBondContact O-N 2.67Å; D180-V182 PolarHBondContact OD1-N 3.32Å; V182-S184 PolarHBondContact O-N 3.15Å; V182-R185 PolarHBondContact O-N 3.14Å; V182-I186 PolarHBondContact O-N 3.06Å
183G95.1Very high93.9Very high2 Ų236 Ų362%0.02118%0.184CC..G310 helixtrans-63.7-41.9-177.100000113.6L179 D180 R185 I186L179-G183 VanDerWaalsContact CD1-C 3.5Å; L179-G183 WeakPolarHBondContact CD1-O 3.35Å; D180-G183 PolarHBondContact O-N 3.28Å; D180-G183 PolarHBondContact OD1-N 3.21Å; G183-R185 PolarHBondContact O-N 3.15Å; G183-I186 PolarHBondContact O-N 3.38Å
184S95Very high94.9Very high12 Ų1231.7 Ų31.78%0.08417%0.165CC..G310 helixtrans-70-11.2-178.8-70.30000113.7L179 D180 V182L179-S184 PolarHBondContact O-OG 3.27Å; D180-S184 VanDerWaalsContact O-CB 3.28Å; D180-S184 WeakPolarHBondContact O-CB 3.49Å; D180-S184 PolarHBondContact O-N 2.82Å; D180-S184 PolarHBondContact O-OG 3.47Å; V182-S184 PolarHBondContact O-N 3.15Å
185R94Very high95.5Very high20 Ų2032.9 Ų32.98%0.07517%0.165CC..G310 helixtrans-107.7-4.5-179.5-58.2-57.3-162.8-173.6-2.9113.4W78 I80 L126 E181 V182 G183 Q187W78-R185 HydrophobicContact CB-CB 3.98Å; W78-R185 HydrophobicContact CB-CG 3.99Å; W78-R185 VanDerWaalsContact CD1-NH1 3.25Å; W78-R185 HydrophobicContact CD2-CG 4.42Å; W78-R185 HydrophobicContact CG-CG 4.16Å; I80-R185 HydrophobicContact CD1-CB 3.86Å; I80-R185 HydrophobicContact CG1-CB 4.16Å; L126-R185 PolarHBondContact O-NH1 3.26Å; L126-R185 PolarHBondContact O-NH2 2.75Å; E181-R185 WeakPolarHBondContact O-CG 3.4Å; V182-R185 PolarHBondContact O-N 3.14Å; G183-R185 PolarHBondContact O-N 3.15Å; R185-Q187 PolarHBondContact O-N 3.32Å
186I95.6Very high96Very high0 Ų032.2 Ų32.20%016%0.162CC..  trans-68.9113.5169.6-70.2173.5000107.7I80 V182 G183 M196 F211 I223 T225 Y227I80-I186 HydrophobicContact CB-CG1 4.16Å; I80-I186 HydrophobicContact CG1-CG1 3.69Å; I80-I186 HydrophobicContact CG2-CG1 4.39Å; V182-I186 PolarHBondContact O-N 3.06Å; G183-I186 PolarHBondContact O-N 3.38Å; I186-M196 HydrophobicContact CB-CE 4.49Å; I186-M196 HydrophobicContact CD1-CE 3.44Å; I186-M196 VanDerWaalsContact CD1-CE 3.44Å; I186-M196 HydrophobicContact CG1-CE 4.45Å; I186-F211 HydrophobicContact CD1-CD1 4.24Å; I186-F211 HydrophobicContact CD1-CD2 4.31Å; I186-F211 HydrophobicContact CD1-CE1 4.28Å; I186-F211 HydrophobicContact CD1-CE2 4.38Å; I186-F211 HydrophobicContact CD1-CG 4.24Å; I186-F211 HydrophobicContact CD1-CZ 4.36Å; I186-I223 HydrophobicContact CD1-CG2 4.03Å; I186-I223 HydrophobicContact CG1-CG2 4.12Å; I186-I223 HydrophobicContact CG2-CG2 4.2Å; I186-T225 HydrophobicContact CG2-CG2 3.65Å; I186-Y227 WeakPolarHBondContact O-CE1 3.26Å; I186-Y227 PolarHBondContact O-OH 3.15Å
187Q95Very high96.1Very high67 Ų6732 Ų3231%0.31316%0.162SC..EExtended strand (participates in β ladder)trans-77.9164.2-171.2-66.2-61-22.600113.7W78 R185 T224 T225 Y227W78-Q187 VanDerWaalsContact O-CG 3.31Å; W78-Q187 WeakPolarHBondContact O-CG 3.44Å; W78-Q187 PolarHBondContact O-NE2 2.95Å; R185-Q187 PolarHBondContact O-N 3.32Å; Q187-T224 HydrophobicContact CB-CG2 4.45Å; Q187-T224 CarbonylContact O-C 3.46Å; Q187-T224 VanDerWaalsContact O-CA 3.28Å; Q187-T224 WeakPolarHBondContact O-CA 3.47Å; Q187-T224 WeakPolarHBondContact O-CB 3.44Å; Q187-T225 PolarHBondContact O-N 2.92Å; Q187-Y227 WeakPolarHBondContact CA-OH 3.27Å
188H95.8Very high96Very high24 Ų2434 Ų3411%0.11118%0.176CC..EExtended strand (participates in β ladder)trans-66.5149.3169.2-173.443.4000111.8D190 T225 D226 Y227 L241 E245H188-D190 IonicContact NE2-OD1 3.95Å; H188-T225 CarbonylContact C-O 3.53Å; H188-T225 VanDerWaalsContact CA-O 3.26Å; H188-T225 WeakPolarHBondContact CA-O 3.28Å; H188-T225 PolarHBondContact ND1-O 3.45Å; H188-D226 IonicContact CE1-OD1 3.33Å; H188-D226 PolarHBondContact CE1-OD1 3.01Å; H188-D226 VanDerWaalsContact CE1-OD1 3.28Å; H188-D226 IonicContact ND1-OD1 2.97Å; H188-Y227 HydrophobicContact CB-CD1 4.43Å; H188-Y227 HydrophobicContact CB-CD2 3.53Å; H188-Y227 HydrophobicContact CB-CE2 3.63Å; H188-Y227 HydrophobicContact CB-CG 3.97Å; H188-Y227 PolarHBondContact N-OH 3.06Å; H188-Y227 AromaticContact ND1-CG 3.85Å; H188-Y227 PolarHBondContact ND1-N 2.87Å; H188-Y227 VanDerWaalsContact ND1-N 3.12Å; H188-L241 VanDerWaalsContact CD2-CD2 3.49Å; H188-L241 WeakPolarHBondContact CD2-CD2 3.36Å; H188-L241 WeakPolarHBondContact NE2-CD2 3.35Å; H188-E245 IonicContact CD2-OE1 2.76Å; H188-E245 PolarHBondContact CD2-OE1 3.31Å
189S96.8Very high95.9Very high35 Ų3534 Ų3425%0.24518%0.176CC..  trans-157.7141.6156.7-177.50000110E191 P192 T224 T225S189-E191 PolarHBondContact O-N 3.24Å; S189-E191 PolarHBondContact OG-N 3.36Å; S189-E191 VanDerWaalsContact OG-N 3.07Å; S189-E191 PolarHBondContact OG-O 3.23Å; S189-P192 WeakPolarHBondContact O-CD 3.34Å; S189-T224 WeakPolarHBondContact CB-OG1 3.28Å; S189-T225 PolarHBondContact N-O 3.38Å; S189-T225 VanDerWaalsContact N-O 3.08Å
190D95.3Very high95.7Very high100 Ų10037.1 Ų37.154%0.53519%0.188SC..SBendtrans-66-20.5166-76.7-37.7000112.7H188 P192 R237H188-D190 IonicContact NE2-OD1 3.95Å; D190-P192 WeakPolarHBondContact O-CD 3.37Å; D190-R237 IonicContact OD1-CZ 3.85Å; D190-R237 VanDerWaalsContact OD1-CZ 3.28Å; D190-R237 IonicContact OD1-NE 2.7Å; D190-R237 PolarHBondContact OD1-NE 3.37Å; D190-R237 VanDerWaalsContact OD1-NE 3.13Å; D190-R237 IonicContact OD1-NH2 3.59Å; D190-R237 PolarHBondContact OD1-NH2 3.38Å
191E96.7Very high95.6Very high155 Ų15536.2 Ų36.272%0.72418%0.183SC*.SBendtrans-115.264173.9-64-169.1172.800111S189S189-E191 PolarHBondContact O-N 3.24Å; S189-E191 PolarHBondContact OG-N 3.36Å; S189-E191 VanDerWaalsContact OG-N 3.07Å; S189-E191 PolarHBondContact OG-O 3.23Å
192P98Very high95.4Very high29 Ų2935.8 Ų35.819%0.18819%0.185CC..  trans-59.7149.6-169.626.5-36.1000112.6S189 D190 I214 D226S189-P192 WeakPolarHBondContact O-CD 3.34Å; D190-P192 WeakPolarHBondContact O-CD 3.37Å; P192-I214 HydrophobicContact CB-CD1 4.36Å; P192-I214 HydrophobicContact CG-CD1 4.05Å; P192-I214 WeakPolarHBondContact O-CD1 3.18Å; P192-D226 HydrophobicContact CB-CB 4.46Å; P192-D226 HydrophobicContact CG-CB 4.08Å
193T98.5Very high95.1Very high13 Ų1335.7 Ų35.78%0.0819%0.185CC..SBendtrans-100.3-20.3176.468.60000112.6I214 L217 S222 I223 T224T193-I214 WeakPolarHBondContact O-CG1 3.08Å; T193-I214 PolarHBondContact O-N 3.41Å; T193-L217 HydrophobicContact CG2-CD2 4.17Å; T193-S222 WeakPolarHBondContact CB-O 3.5Å; T193-S222 VanDerWaalsContact CG2-O 3.26Å; T193-S222 WeakPolarHBondContact CG2-O 3.34Å; T193-S222 PolarHBondContact OG1-O 3Å; T193-I223 VanDerWaalsContact OG1-CA 3.26Å; T193-I223 WeakPolarHBondContact OG1-CA 3.31Å; T193-T224 PolarHBondContact N-O 2.95Å; T193-T224 VanDerWaalsContact N-O 3.11Å; T193-T224 PolarHBondContact N-OG1 3.42Å; T193-T224 PolarHBondContact OG1-N 3.32Å
194A98.2Very high94.7Very high2 Ų237.3 Ų37.32%0.01719%0.191CC..EExtended strand (participates in β ladder)trans-134.3165.4175.700000111F211 W212 I223 T224 T225A194-F211 HydrophobicContact CB-CD2 4.38Å; A194-W212 VanDerWaalsContact CA-O 3.23Å; A194-W212 WeakPolarHBondContact CA-O 3.42Å; A194-W212 VanDerWaalsContact CB-O 3.29Å; A194-W212 WeakPolarHBondContact CB-O 3.38Å; A194-I223 HydrophobicContact CB-CG2 3.81Å; A194-T224 PolarHBondContact N-O 2.84Å; A194-T225 HydrophobicContact CB-CG2 4.42Å
195R97.6Very high94.3Very high60 Ų6042.3 Ų42.323%0.22622%0.216CC..EExtended strand (participates in β ladder)trans-121.2143.2169.5-167.6172.5-177.7-130.10.3109.1S25 F211 W212 I214 E229S25-R195 PolarHBondContact O-NH1 2.99Å; R195-F211 WeakPolarHBondContact O-CA 3.05Å; R195-F211 WeakPolarHBondContact O-CB 3.46Å; R195-W212 HydrophobicContact CB-CH2 4.46Å; R195-W212 HydrophobicContact CB-CZ2 4.01Å; R195-W212 HydrophobicContact CG-CH2 4.38Å; R195-W212 HydrophobicContact CG-CZ2 4.18Å; R195-W212 PolarHBondContact N-O 2.85Å; R195-W212 PolarHBondContact O-N 3.4Å; R195-W212 VanDerWaalsContact O-N 3.16Å; R195-I214 HydrophobicContact CB-CG2 3.87Å; R195-E229 IonicContact CZ-OE1 3.15Å; R195-E229 IonicContact CZ-OE2 2.78Å; R195-E229 VanDerWaalsContact NE-CD 3.3Å; R195-E229 IonicContact NE-OE1 3.36Å; R195-E229 PolarHBondContact NE-OE1 3.25Å; R195-E229 IonicContact NE-OE2 3.75Å; R195-E229 PolarHBondContact NE-OE2 3.27Å; R195-E229 IonicContact NH2-OE1 3.88Å; R195-E229 PolarHBondContact NH2-OE1 3.02Å; R195-E229 IonicContact NH2-OE2 3.01Å
196M97.3Very high94.1Very high12 Ų1245.3 Ų45.36%0.05923%0.234CC..EExtended strand (participates in β ladder)trans-133.7131.5178.6-176.1-171.7-63.100111V98 R152 L179 I186 V210 F211 T225V98-M196 HydrophobicContact CG2-CE 4.3Å; R152-M196 PolarHBondContact NH1-SD 3.47Å; L179-M196 HydrophobicContact CD1-CE 4.2Å; L179-M196 HydrophobicContact CD1-SD 3.48Å; L179-M196 WeakPolarHBondContact CD1-SD 3.48Å; L179-M196 HydrophobicContact CD2-SD 4.32Å; I186-M196 HydrophobicContact CB-CE 4.49Å; I186-M196 HydrophobicContact CD1-CE 3.44Å; I186-M196 VanDerWaalsContact CD1-CE 3.44Å; I186-M196 HydrophobicContact CG1-CE 4.45Å; M196-V210 VanDerWaalsContact CA-O 3.27Å; M196-V210 WeakPolarHBondContact CA-O 3.12Å; M196-F211 HydrophobicContact CB-CB 3.83Å; M196-F211 HydrophobicContact CE-CB 4.02Å; M196-F211 HydrophobicContact CE-CD1 4.28Å; M196-F211 HydrophobicContact CE-CG 4.35Å; M196-F211 HydrophobicContact CG-CB 4.01Å; M196-T225 HydrophobicContact CB-CG2 4.02Å
197V95.6Very high93.9Very high11 Ų1146 Ų467%0.06724%0.239CC..EExtended strand (participates in β ladder)trans-134.6148.8-178.1-58.90000111.1I27 S209 V210 W212I27-V197 HydrophobicContact CD1-CG2 4.03Å; I27-V197 HydrophobicContact CG1-CG2 4.08Å; V197-S209 WeakPolarHBondContact O-CA 3.49Å; V197-V210 PolarHBondContact N-O 3.3Å; V197-V210 PolarHBondContact O-N 3.14Å; V197-W212 HydrophobicContact CG1-CH2 4Å; V197-W212 HydrophobicContact CG1-CZ3 4.5Å; V197-W212 HydrophobicContact CG2-CH2 3.82Å; V197-W212 HydrophobicContact CG2-CZ3 3.71Å
198P94.4Very high93.9Very high46 Ų4643 Ų4330%0.29923%0.225SC..EExtended strand (participates in β ladder)trans-65.8147.8167.228.6-33.2000110.5Y208P198-Y208 CarbonylContact C-O 3.59Å; P198-Y208 WeakPolarHBondContact CA-O 3.37Å
199F95.3Very high94Very high0 Ų041.9 Ų41.90%022%0.219CC..EExtended strand (participates in β ladder)trans-141.8113.4177.5-167.4-89.4000110.8F14 H18 Q21 L22 I27 L35 L39 Y201 Y208 V210F14-F199 HydrophobicContact CE2-CE1 4.19Å; F14-F199 HydrophobicContact CE2-CZ 4.05Å; F14-F199 HydrophobicContact CZ-CE1 4.37Å; F14-F199 AromaticContact CZ-CZ 3.89Å; F14-F199 HydrophobicContact CZ-CZ 3.89Å; H18-F199 HydrophobicContact CB-CE2 4.49Å; H18-F199 HydrophobicContact CB-CZ 3.86Å; H18-F199 AromaticContact CD2-CE1 3.86Å; H18-F199 AromaticContact CD2-CZ 3.74Å; H18-F199 AromaticContact CG-CZ 3.91Å; Q21-F199 HydrophobicContact CG-CD2 4.01Å; Q21-F199 HydrophobicContact CG-CE2 4.02Å; L22-F199 HydrophobicContact CD2-CE2 3.55Å; L22-F199 HydrophobicContact CD2-CZ 4.07Å; L22-F199 HydrophobicContact CG-CE2 3.94Å; L22-F199 HydrophobicContact CG-CZ 4.37Å; I27-F199 HydrophobicContact CD1-CD2 3.84Å; I27-F199 HydrophobicContact CD1-CE2 4.21Å; L35-F199 HydrophobicContact CD2-CD2 4.47Å; L35-F199 HydrophobicContact CD2-CE2 4.29Å; L35-F199 HydrophobicContact CD2-CZ 4.45Å; L39-F199 HydrophobicContact CD1-CD1 3.78Å; L39-F199 HydrophobicContact CD1-CE1 3.46Å; L39-F199 VanDerWaalsContact CD1-CE1 3.46Å; L39-F199 HydrophobicContact CD1-CZ 4.33Å; F199-Y201 HydrophobicContact CE1-CD2 4.45Å; F199-Y208 PolarHBondContact N-O 3.2Å; F199-Y208 PolarHBondContact O-N 3.24Å; F199-V210 HydrophobicContact CB-CG2 3.69Å; F199-V210 HydrophobicContact CG-CG2 4.27Å
200Y92.9Very high94Very high67 Ų6740.2 Ų40.226%0.26321%0.208SC..EExtended strand (participates in β ladder)trans-83.8117174-174.2-112.6000110.9H18 Q21 V202 N205 C207H18-Y200 PolarHBondContact CD2-O 3.22Å; Q21-Y200 PolarHBondContact NE2-O 3.48Å; Y200-V202 HydrophobicContact CD1-CG2 4Å; Y200-V202 HydrophobicContact CE1-CG2 4.08Å; Y200-N205 WeakPolarHBondContact OH-CA 3.25Å; Y200-N205 PolarHBondContact OH-OD1 2.7Å; Y200-C207 VanDerWaalsContact CD2-SG 3.53Å
201Y93.1Very high94.1Very high0 Ų035.5 Ų35.50%018%0.182CC..EExtended strand (participates in β ladder)trans-97.8101.1178.9-174.5-127.2000110.9F14 H18 L39 F199 P203 R204 N205 L206 Y208F14-Y201 AromaticContact CD2-CE2 3.99Å; F14-Y201 HydrophobicContact CD2-CE2 3.99Å; F14-Y201 HydrophobicContact CE2-CD2 4.24Å; F14-Y201 HydrophobicContact CE2-CE2 4.08Å; H18-Y201 AromaticContact CE1-CD2 3.87Å; H18-Y201 AromaticContact NE2-CD2 3.66Å; L39-Y201 HydrophobicContact CB-CD1 4.25Å; L39-Y201 HydrophobicContact CB-CD2 4.14Å; L39-Y201 HydrophobicContact CB-CE1 4.17Å; L39-Y201 HydrophobicContact CB-CE2 4.07Å; L39-Y201 HydrophobicContact CB-CG 4.24Å; L39-Y201 HydrophobicContact CD1-CD2 3.86Å; L39-Y201 HydrophobicContact CD1-CE2 4.32Å; L39-Y201 HydrophobicContact CD1-CG 4.26Å; L39-Y201 HydrophobicContact CD2-CG 4.3Å; L39-Y201 HydrophobicContact CG-CD2 4.47Å; F199-Y201 HydrophobicContact CE1-CD2 4.45Å; Y201-P203 HydrophobicContact CD2-CG 4.33Å; Y201-P203 HydrophobicContact CE1-CB 4.09Å; Y201-P203 HydrophobicContact CE1-CG 4.22Å; Y201-P203 HydrophobicContact CE2-CB 4.49Å; Y201-P203 HydrophobicContact CE2-CG 3.74Å; Y201-R204 HydrophobicContact CD1-CB 3.92Å; Y201-R204 HydrophobicContact CD1-CG 3.71Å; Y201-R204 HydrophobicContact CE1-CB 4.41Å; Y201-R204 HydrophobicContact CE1-CG 3.73Å; Y201-R204 PolarHBondContact O-N 3.32Å; Y201-N205 PolarHBondContact O-N 3Å; Y201-N205 VanDerWaalsContact O-N 3.07Å; Y201-L206 PolarHBondContact N-O 3.05Å; Y201-Y208 HydrophobicContact CD1-CE2 4.39Å
202V88.7Confident94.2Very high64 Ų6428.4 Ų28.439%0.38815%0.149SC..G310 helixtrans-54.5-45.8-171.81770000113.6H18 Y200 R204 N205H18-V202 PolarHBondContact NE2-N 3.36Å; H18-V202 VanDerWaalsContact NE2-N 3.15Å; Y200-V202 HydrophobicContact CD1-CG2 4Å; Y200-V202 HydrophobicContact CE1-CG2 4.08Å; V202-R204 PolarHBondContact O-N 3.34Å; V202-R204 VanDerWaalsContact O-N 3.07Å; V202-N205 PolarHBondContact O-N 3.01Å; V202-N205 VanDerWaalsContact O-N 3.11Å
203P88.4Confident94.2Very high30 Ų3027.1 Ų27.120%0.19514%0.14CC..G310 helixtrans-61.6-21.2-176.4-26.137.2000115A6 Y201A6-P203 HydrophobicContact CB-CB 4.15Å; Y201-P203 HydrophobicContact CD2-CG 4.33Å; Y201-P203 HydrophobicContact CE1-CB 4.09Å; Y201-P203 HydrophobicContact CE1-CG 4.22Å; Y201-P203 HydrophobicContact CE2-CB 4.49Å; Y201-P203 HydrophobicContact CE2-CG 3.74Å
204R86.1Confident94.1Very high36 Ų3630.2 Ų30.214%0.13616%0.156CC..G310 helixtrans-108.5-10.4177.4-67.4-179.1178.5-127.58.9113.5N4 A6 L40 E42 Y201 V202 L206N4-R204 PolarHBondContact O-NH1 2.71Å; A6-R204 HydrophobicContact CB-CG 3.74Å; L40-R204 PolarHBondContact O-NH2 3.43Å; E42-R204 VanDerWaalsContact CD-CZ 3.41Å; E42-R204 VanDerWaalsContact CD-NH2 3.3Å; E42-R204 IonicContact OE1-CZ 2.93Å; E42-R204 IonicContact OE1-NH1 3.61Å; E42-R204 PolarHBondContact OE1-NH1 3.39Å; E42-R204 IonicContact OE2-CZ 3.94Å; E42-R204 VanDerWaalsContact OE2-CZ 3.26Å; E42-R204 IonicContact OE2-NH1 2.89Å; E42-R204 PolarHBondContact OE2-NH1 3.46Å; E42-R204 IonicContact OE2-NH2 2.8Å; E42-R204 PolarHBondContact OE2-NH2 2.89Å; Y201-R204 HydrophobicContact CD1-CB 3.92Å; Y201-R204 HydrophobicContact CD1-CG 3.71Å; Y201-R204 HydrophobicContact CE1-CB 4.41Å; Y201-R204 HydrophobicContact CE1-CG 3.73Å; Y201-R204 PolarHBondContact O-N 3.32Å; V202-R204 PolarHBondContact O-N 3.34Å; V202-R204 VanDerWaalsContact O-N 3.07Å; R204-L206 HydrophobicContact CB-CB 4.27Å; R204-L206 HydrophobicContact CB-CD1 4.12Å; R204-L206 HydrophobicContact CB-CG 4.19Å; R204-L206 PolarHBondContact O-N 3.15Å
205N86.7Confident94.1Very high117 Ų11734.4 Ų34.463%0.62617%0.173SC*.THydrogen-bonded Turntrans5641.5-173.7-162.790.6000111.7Y200 Y201 V202Y200-N205 WeakPolarHBondContact OH-CA 3.25Å; Y200-N205 PolarHBondContact OH-OD1 2.7Å; Y201-N205 PolarHBondContact O-N 3Å; Y201-N205 VanDerWaalsContact O-N 3.07Å; V202-N205 PolarHBondContact O-N 3.01Å; V202-N205 VanDerWaalsContact O-N 3.11Å
206L89.3Confident94.2Very high83 Ų8335.9 Ų35.944%0.43519%0.186SC..EExtended strand (participates in β ladder)trans-127.6144.5-177.9-71.5175.6000111.4Y201 R204 Y208Y201-L206 PolarHBondContact N-O 3.05Å; R204-L206 HydrophobicContact CB-CB 4.27Å; R204-L206 HydrophobicContact CB-CD1 4.12Å; R204-L206 HydrophobicContact CB-CG 4.19Å; R204-L206 PolarHBondContact O-N 3.15Å; L206-Y208 HydrophobicContact CB-CE2 3.86Å; L206-Y208 WeakPolarHBondContact CD1-OH 3.24Å
207C92.6Very high94.2Very high16 Ų1635.5 Ų35.511%0.10818%0.184CC..EExtended strand (participates in β ladder)trans-92.4137.2168.1-74.50000109.9Y154 Y200Y154-C207 HydrophobicContact CD1-CB 4.38Å; Y154-C207 HydrophobicContact CE1-CB 3.74Å; Y200-C207 VanDerWaalsContact CD2-SG 3.53Å
208Y94.8Very high94.3Very high4 Ų439.9 Ų39.92%0.01620%0.204CC..EExtended strand (participates in β ladder)trans-121.3169.5167.7-60.2-86000108.6L39 Y44 H100 P198 F199 Y201 L206L39-Y208 HydrophobicContact CD2-CD2 3.57Å; L39-Y208 HydrophobicContact CD2-CE2 3.91Å; L39-Y208 HydrophobicContact CD2-CG 4.02Å; Y44-Y208 WeakPolarHBondContact OH-CE1 3.3Å; H100-Y208 PolarHBondContact NE2-O 3.33Å; P198-Y208 CarbonylContact C-O 3.59Å; P198-Y208 WeakPolarHBondContact CA-O 3.37Å; F199-Y208 PolarHBondContact N-O 3.2Å; F199-Y208 PolarHBondContact O-N 3.24Å; Y201-Y208 HydrophobicContact CD1-CE2 4.39Å; L206-Y208 HydrophobicContact CB-CE2 3.86Å; L206-Y208 WeakPolarHBondContact CD1-OH 3.24Å
209S96.7Very high94.5Very high0 Ų043.6 Ų43.60%021%0.212CC..EExtended strand (participates in β ladder)trans-109.6149.3158.3-670000109.2V98 H100 L179 V197V98-S209 PolarHBondContact N-O 2.76Å; V98-S209 PolarHBondContact O-N 3.41Å; H100-S209 PolarHBondContact NE2-N 3.39Å; H100-S209 VanDerWaalsContact NE2-N 3.2Å; H100-S209 PolarHBondContact NE2-OG 2.88Å; L179-S209 WeakPolarHBondContact CD2-OG 3.25Å; V197-S209 WeakPolarHBondContact O-CA 3.49Å
210V97.6Very high94.5Very high0 Ų048.5 Ų48.50%024%0.238CC..EExtended strand (participates in β ladder)trans-129.3130.8-178.8-174.20000108.2L35 I95 F96 L97 M196 V197 F199 W212L35-V210 HydrophobicContact CD1-CG1 3.88Å; L35-V210 HydrophobicContact CD1-CG2 3.83Å; L35-V210 HydrophobicContact CD2-CG1 4.47Å; I95-V210 HydrophobicContact CD1-CG1 3.49Å; I95-V210 VanDerWaalsContact CD1-CG1 3.49Å; I95-V210 HydrophobicContact CG1-CG1 3.31Å; F96-V210 WeakPolarHBondContact O-CA 3.17Å; L97-V210 HydrophobicContact CD2-CG2 3.98Å; M196-V210 VanDerWaalsContact CA-O 3.27Å; M196-V210 WeakPolarHBondContact CA-O 3.12Å; V197-V210 PolarHBondContact N-O 3.3Å; V197-V210 PolarHBondContact O-N 3.14Å; F199-V210 HydrophobicContact CB-CG2 3.69Å; F199-V210 HydrophobicContact CG-CG2 4.27Å; V210-W212 HydrophobicContact CG1-CE3 4.33Å
211F97.7Very high94.8Very high1 Ų148.4 Ų48.40%0.00424%0.242CC..EExtended strand (participates in β ladder)trans-127.1152.9173.482.6-86000113A46 V50 F96 V98 I186 A194 R195 M196 I223A46-F211 HydrophobicContact CB-CE1 4.47Å; A46-F211 HydrophobicContact CB-CZ 4.45Å; V50-F211 HydrophobicContact CG2-CZ 4.44Å; F96-F211 HydrophobicContact CB-CD1 3.81Å; F96-F211 HydrophobicContact CB-CE1 3.37Å; F96-F211 HydrophobicContact CB-CE2 4.35Å; F96-F211 HydrophobicContact CB-CG 4.49Å; F96-F211 HydrophobicContact CB-CZ 3.67Å; F96-F211 HydrophobicContact CD2-CD2 4.15Å; F96-F211 HydrophobicContact CD2-CE1 4.15Å; F96-F211 AromaticContact CD2-CE2 3.56Å; F96-F211 HydrophobicContact CD2-CE2 3.56Å; F96-F211 AromaticContact CD2-CZ 3.56Å; F96-F211 HydrophobicContact CD2-CZ 3.56Å; F96-F211 HydrophobicContact CE2-CE2 4.27Å; F96-F211 HydrophobicContact CE2-CZ 4.46Å; F96-F211 HydrophobicContact CG-CE1 4.06Å; F96-F211 HydrophobicContact CG-CE2 4.27Å; F96-F211 AromaticContact CG-CZ 3.81Å; F96-F211 HydrophobicContact CG-CZ 3.81Å; F96-F211 PolarHBondContact N-O 3.21Å; F96-F211 PolarHBondContact O-N 3.12Å; V98-F211 HydrophobicContact CG2-CD1 3.45Å; V98-F211 VanDerWaalsContact CG2-CD1 3.45Å; V98-F211 HydrophobicContact CG2-CE1 3.69Å; I186-F211 HydrophobicContact CD1-CD1 4.24Å; I186-F211 HydrophobicContact CD1-CD2 4.31Å; I186-F211 HydrophobicContact CD1-CE1 4.28Å; I186-F211 HydrophobicContact CD1-CE2 4.38Å; I186-F211 HydrophobicContact CD1-CG 4.24Å; I186-F211 HydrophobicContact CD1-CZ 4.36Å; A194-F211 HydrophobicContact CB-CD2 4.38Å; R195-F211 WeakPolarHBondContact O-CA 3.05Å; R195-F211 WeakPolarHBondContact O-CB 3.46Å; M196-F211 HydrophobicContact CB-CB 3.83Å; M196-F211 HydrophobicContact CE-CB 4.02Å; M196-F211 HydrophobicContact CE-CD1 4.28Å; M196-F211 HydrophobicContact CE-CG 4.35Å; M196-F211 HydrophobicContact CG-CB 4.01Å; F211-I223 HydrophobicContact CD2-CG2 4.43Å; F211-I223 HydrophobicContact CE2-CG2 4.26Å
212W98Very high94.9Very high6 Ų650.2 Ų50.22%0.02326%0.255CS..EExtended strand (participates in β ladder)trans-152155.217963.693.5000110I27 F31 N94 I95 A194 R195 V197 V210I27-W212 HydrophobicContact CB-CH2 4.34Å; I27-W212 HydrophobicContact CD1-CZ3 4.5Å; I27-W212 HydrophobicContact CG1-CH2 3.58Å; I27-W212 HydrophobicContact CG1-CZ2 4.35Å; I27-W212 HydrophobicContact CG1-CZ3 3.71Å; F31-W212 HydrophobicContact CD2-CB 4.36Å; F31-W212 HydrophobicContact CD2-CG 4.21Å; F31-W212 HydrophobicContact CE2-CB 3.92Å; F31-W212 AromaticContact CE2-CD1 3.56Å; F31-W212 AromaticContact CE2-CG 3.81Å; F31-W212 HydrophobicContact CE2-CG 3.81Å; F31-W212 HydrophobicContact CZ-CB 4.15Å; F31-W212 HydrophobicContact CZ-CG 4.48Å; N94-W212 WeakPolarHBondContact O-CB 3.39Å; I95-W212 HydrophobicContact CB-CB 4.41Å; I95-W212 HydrophobicContact CD1-CE3 4.3Å; I95-W212 HydrophobicContact CG1-CB 4.37Å; A194-W212 VanDerWaalsContact CA-O 3.23Å; A194-W212 WeakPolarHBondContact CA-O 3.42Å; A194-W212 VanDerWaalsContact CB-O 3.29Å; A194-W212 WeakPolarHBondContact CB-O 3.38Å; R195-W212 HydrophobicContact CB-CH2 4.46Å; R195-W212 HydrophobicContact CB-CZ2 4.01Å; R195-W212 HydrophobicContact CG-CH2 4.38Å; R195-W212 HydrophobicContact CG-CZ2 4.18Å; R195-W212 PolarHBondContact N-O 2.85Å; R195-W212 PolarHBondContact O-N 3.4Å; R195-W212 VanDerWaalsContact O-N 3.16Å; V197-W212 HydrophobicContact CG1-CH2 4Å; V197-W212 HydrophobicContact CG1-CZ3 4.5Å; V197-W212 HydrophobicContact CG2-CH2 3.82Å; V197-W212 HydrophobicContact CG2-CZ3 3.71Å; V210-W212 HydrophobicContact CG1-CE3 4.33Å
213P98.1Very high95.4Very high1 Ų147.2 Ų47.21%0.00624%0.237CC..EExtended strand (participates in β ladder)trans-70.8144.8176.731.9-35.6000111L87 V89 N94L87-P213 HydrophobicContact CD2-CB 3.98Å; L87-P213 HydrophobicContact CD2-CG 4.03Å; L87-P213 HydrophobicContact CG-CB 4.36Å; L87-P213 HydrophobicContact CG-CG 4.05Å; V89-P213 HydrophobicContact CG2-CB 4.39Å; V89-P213 HydrophobicContact CG2-CG 4.49Å; N94-P213 HydrophobicContact CB-CG 4.08Å; N94-P213 WeakPolarHBondContact O-CD 3.29Å
214I98Very high95.8Very high79 Ų7946.5 Ų46.541%0.40523%0.232SC..SBendtrans-109.9-5.517459.1169000113.1P192 T193 R195P192-I214 HydrophobicContact CB-CD1 4.36Å; P192-I214 HydrophobicContact CG-CD1 4.05Å; P192-I214 WeakPolarHBondContact O-CD1 3.18Å; T193-I214 WeakPolarHBondContact O-CG1 3.08Å; T193-I214 PolarHBondContact O-N 3.41Å; R195-I214 HydrophobicContact CB-CG2 3.87Å
215K98Very high96.4Very high89 Ų8945 Ų4539%0.38723%0.227SC..SBendtrans-141.8157.7168.363.9-170.9-176-164.80109.1V89 L217V89-K215 VanDerWaalsContact CG2-CA 3.49Å; K215-L217 HydrophobicContact CG-CD2 3.88Å
216D98.4Very high96.8Very high92 Ų9240.9 Ų40.949%0.49220%0.204SC..  trans-69.1132.4177.6-66.1-24.4000109.6L88 V89L88-D216 WeakPolarHBondContact CA-OD1 3.14Å; L88-D216 HydrophobicContact CD2-CB 3.95Å; V89-D216 PolarHBondContact N-OD1 2.82Å
217L98.3Very high97.1Very high4 Ų438.7 Ų38.72%0.02119%0.191CC..EExtended strand (participates in β ladder)trans-121.5148.5-177.8-56.6173.5000110.8V82 Q86 L87 T193 K215 D221 I223V82-L217 HydrophobicContact CG2-CB 3.94Å; V82-L217 HydrophobicContact CG2-CD1 4.12Å; Q86-L217 CarbonylContact C-O 3.6Å; Q86-L217 VanDerWaalsContact CA-O 3.3Å; Q86-L217 WeakPolarHBondContact CA-O 3.42Å; L87-L217 HydrophobicContact CB-CB 4.24Å; L87-L217 HydrophobicContact CD2-CD1 4.41Å; L87-L217 PolarHBondContact N-O 2.73Å; L87-L217 PolarHBondContact O-N 3.43Å; T193-L217 HydrophobicContact CG2-CD2 4.17Å; K215-L217 HydrophobicContact CG-CD2 3.88Å; L217-D221 WeakPolarHBondContact CA-OD2 3.37Å; L217-D221 HydrophobicContact CB-CB 4.04Å; L217-D221 HydrophobicContact CD2-CB 4.13Å; L217-I223 HydrophobicContact CD1-CD1 3.35Å
218Q98.1Very high97.2Very high102 Ų10238 Ų3848%0.47719%0.186SC..EExtended strand (participates in β ladder)trans-103.2165.9175.3-59.3-59.4-5400110.6V82 N220 D221V82-Q218 WeakPolarHBondContact CB-O 3.33Å; Q218-N220 PolarHBondContact O-N 3.33Å; Q218-D221 PolarHBondContact N-OD2 2.96Å; Q218-D221 VanDerWaalsContact O-CB 3.31Å; Q218-D221 WeakPolarHBondContact O-CB 3.38Å; Q218-D221 PolarHBondContact O-N 2.89Å
219R97.4Very high97.2Very high125 Ų12541 Ų4147%0.47220%0.2SC..THydrogen-bonded Turntrans-48.1135.2170.6-177.9174.4-83.3146.97.9111C83 S84 D85 D221C83-R219 PolarHBondContact O-NE 3.1Å; C83-R219 PolarHBondContact O-NH2 2.85Å; C83-R219 VanDerWaalsContact O-NH2 3.08Å; S84-R219 WeakPolarHBondContact O-CA 3.38Å; S84-R219 VanDerWaalsContact O-CB 3.25Å; S84-R219 WeakPolarHBondContact O-CB 3.27Å; D85-R219 PolarHBondContact O-N 2.84Å; D85-R219 VanDerWaalsContact O-N 3.11Å; D85-R219 IonicContact OD1-CZ 3.16Å; D85-R219 IonicContact OD1-NH1 3.25Å; D85-R219 PolarHBondContact OD1-NH1 3.08Å; D85-R219 IonicContact OD1-NH2 2.68Å; D85-R219 PolarHBondContact OD1-NH2 2.96Å; R219-D221 VanDerWaalsContact C-N 3.27Å; R219-D221 PolarHBondContact O-N 3.37Å
220N96.3Very high96.9Very high102 Ų10245.3 Ų45.355%0.54522%0.22SC..THydrogen-bonded Turntrans72.51.9-177.8-51.9-39.7000116V82 Q218V82-N220 PolarHBondContact O-N 3.35Å; Q218-N220 PolarHBondContact O-N 3.33Å
221D97.8Very high96.7Very high65 Ų6546 Ų4635%0.34822%0.224SC..  trans-67.7144.5168-71.9-12.4000110.3L81 V82 L217 Q218 R219L81-D221 WeakPolarHBondContact CA-O 3.47Å; V82-D221 PolarHBondContact N-O 2.89Å; L217-D221 WeakPolarHBondContact CA-OD2 3.37Å; L217-D221 HydrophobicContact CB-CB 4.04Å; L217-D221 HydrophobicContact CD2-CB 4.13Å; Q218-D221 PolarHBondContact N-OD2 2.96Å; Q218-D221 VanDerWaalsContact O-CB 3.31Å; Q218-D221 WeakPolarHBondContact O-CB 3.38Å; Q218-D221 PolarHBondContact O-N 2.89Å; R219-D221 VanDerWaalsContact C-N 3.27Å; R219-D221 PolarHBondContact O-N 3.37Å
222S96.7Very high96.4Very high39 Ų3953.6 Ų53.627%0.27326%0.257SS..BIsolated β-bridgetrans-77.3139.1177.7-72.50000112.8N79 I80 L81 T193N79-S222 PolarHBondContact ND2-OG 3.31Å; N79-S222 PolarHBondContact OD1-OG 3.03Å; I80-S222 CarbonylContact O-C 3.58Å; I80-S222 WeakPolarHBondContact O-CA 3.37Å; L81-S222 WeakPolarHBondContact CD2-OG 3.33Å; T193-S222 WeakPolarHBondContact CB-O 3.5Å; T193-S222 VanDerWaalsContact CG2-O 3.26Å; T193-S222 WeakPolarHBondContact CG2-O 3.34Å; T193-S222 PolarHBondContact OG1-O 3Å
223I97.8Very high96.3Very high0 Ų056.5 Ų56.50%027%0.273CS..  trans-91.2114.5167.9-55.8-62.7000108.6V50 I80 V82 L87 I186 T193 A194 F211 L217V50-I223 HydrophobicContact CG1-CD1 4.42Å; V50-I223 HydrophobicContact CG1-CG1 3.94Å; I80-I223 HydrophobicContact CB-CB 4.04Å; I80-I223 HydrophobicContact CG2-CB 3.75Å; I80-I223 HydrophobicContact CG2-CG1 3.86Å; I80-I223 HydrophobicContact CG2-CG2 4.43Å; I80-I223 PolarHBondContact O-N 2.96Å; V82-I223 HydrophobicContact CG2-CD1 3.78Å; V82-I223 HydrophobicContact CG2-CG1 4.31Å; L87-I223 HydrophobicContact CD2-CD1 4.06Å; I186-I223 HydrophobicContact CD1-CG2 4.03Å; I186-I223 HydrophobicContact CG1-CG2 4.12Å; I186-I223 HydrophobicContact CG2-CG2 4.2Å; T193-I223 VanDerWaalsContact OG1-CA 3.26Å; T193-I223 WeakPolarHBondContact OG1-CA 3.31Å; A194-I223 HydrophobicContact CB-CG2 3.81Å; F211-I223 HydrophobicContact CD2-CG2 4.43Å; F211-I223 HydrophobicContact CE2-CG2 4.26Å; L217-I223 HydrophobicContact CD1-CD1 3.35Å
224T98.1Very high96.1Very high16 Ų1661 Ų6110%0.09830%0.302CS..EExtended strand (participates in β ladder)trans-132.5154.3-179.760.40000110.7Q187 S189 T193 A194Q187-T224 HydrophobicContact CB-CG2 4.45Å; Q187-T224 CarbonylContact O-C 3.46Å; Q187-T224 VanDerWaalsContact O-CA 3.28Å; Q187-T224 WeakPolarHBondContact O-CA 3.47Å; Q187-T224 WeakPolarHBondContact O-CB 3.44Å; S189-T224 WeakPolarHBondContact CB-OG1 3.28Å; T193-T224 PolarHBondContact N-O 2.95Å; T193-T224 VanDerWaalsContact N-O 3.11Å; T193-T224 PolarHBondContact N-OG1 3.42Å; T193-T224 PolarHBondContact OG1-N 3.32Å; A194-T224 PolarHBondContact N-O 2.84Å
225T97.5Very high96Very high4 Ų464.5 Ų64.53%0.02532%0.317CS..EExtended strand (participates in β ladder)trans-131.5152.8176.756.90000111I186 Q187 H188 S189 A194 M196 Y227I186-T225 HydrophobicContact CG2-CG2 3.65Å; Q187-T225 PolarHBondContact O-N 2.92Å; H188-T225 CarbonylContact C-O 3.53Å; H188-T225 VanDerWaalsContact CA-O 3.26Å; H188-T225 WeakPolarHBondContact CA-O 3.28Å; H188-T225 PolarHBondContact ND1-O 3.45Å; S189-T225 PolarHBondContact N-O 3.38Å; S189-T225 VanDerWaalsContact N-O 3.08Å; A194-T225 HydrophobicContact CB-CG2 4.42Å; M196-T225 HydrophobicContact CB-CG2 4.02Å; T225-Y227 PolarHBondContact O-N 2.85Å; T225-Y227 WeakPolarHBondContact OG1-CE1 3.38Å
226D96.8Very high95.8Very high30 Ų3062.3 Ų62.316%0.1631%0.309CS..  trans-78.2115.2168.9-175.5-1000108.7H188 P192 V228 E229 R237H188-D226 IonicContact CE1-OD1 3.33Å; H188-D226 PolarHBondContact CE1-OD1 3.01Å; H188-D226 VanDerWaalsContact CE1-OD1 3.28Å; H188-D226 IonicContact ND1-OD1 2.97Å; P192-D226 HydrophobicContact CB-CB 4.46Å; P192-D226 HydrophobicContact CG-CB 4.08Å; D226-V228 VanDerWaalsContact C-N 3.26Å; D226-V228 WeakPolarHBondContact OD1-CG2 3.34Å; D226-V228 PolarHBondContact OD1-N 2.98Å; D226-E229 HydrophobicContact CB-CB 4.15Å; D226-E229 PolarHBondContact OD1-N 2.74Å; D226-E229 VanDerWaalsContact OD2-CA 3.29Å; D226-E229 WeakPolarHBondContact OD2-CA 3.49Å; D226-E229 PolarHBondContact OD2-N 3.26Å; D226-R237 IonicContact OD1-CZ 3.39Å; D226-R237 IonicContact OD1-NH1 3.59Å; D226-R237 IonicContact OD1-NH2 2.83Å; D226-R237 PolarHBondContact OD1-NH2 3.36Å; D226-R237 IonicContact OD2-CZ 3.8Å; D226-R237 IonicContact OD2-NH1 2.78Å; D226-R237 PolarHBondContact OD2-NH1 3.03Å; D226-R237 IonicContact OD2-NH2 2.73Å; D226-R237 PolarHBondContact OD2-NH2 3.48Å; D226-R237 VanDerWaalsContact OD2-NH2 3.11Å
227Y95.2Very high95.7Very high38 Ų3859.7 Ų59.715%0.14929%0.293CS..THydrogen-bonded Turntrans-75-21.5-179.6-72-10.2000112.1I186 Q187 H188 T225 W244I186-Y227 WeakPolarHBondContact O-CE1 3.26Å; I186-Y227 PolarHBondContact O-OH 3.15Å; Q187-Y227 WeakPolarHBondContact CA-OH 3.27Å; H188-Y227 HydrophobicContact CB-CD1 4.43Å; H188-Y227 HydrophobicContact CB-CD2 3.53Å; H188-Y227 HydrophobicContact CB-CE2 3.63Å; H188-Y227 HydrophobicContact CB-CG 3.97Å; H188-Y227 PolarHBondContact N-OH 3.06Å; H188-Y227 AromaticContact ND1-CG 3.85Å; H188-Y227 PolarHBondContact ND1-N 2.87Å; H188-Y227 VanDerWaalsContact ND1-N 3.12Å; T225-Y227 PolarHBondContact O-N 2.85Å; T225-Y227 WeakPolarHBondContact OG1-CE1 3.38Å; Y227-W244 HydrophobicContact CD2-CB 4.46Å; Y227-W244 AromaticContact CD2-CD1 3.79Å; Y227-W244 AromaticContact CD2-CD2 3.41Å; Y227-W244 HydrophobicContact CD2-CD2 3.41Å; Y227-W244 VanDerWaalsContact CD2-CD2 3.41Å; Y227-W244 AromaticContact CD2-CE2 3.4Å; Y227-W244 VanDerWaalsContact CD2-CE2 3.4Å; Y227-W244 AromaticContact CD2-CE3 3.93Å; Y227-W244 HydrophobicContact CD2-CE3 3.93Å; Y227-W244 AromaticContact CD2-CG 3.65Å; Y227-W244 HydrophobicContact CD2-CG 3.65Å; Y227-W244 HydrophobicContact CD2-CH2 4.34Å; Y227-W244 AromaticContact CD2-CZ2 3.91Å; Y227-W244 HydrophobicContact CD2-CZ2 3.91Å; Y227-W244 HydrophobicContact CD2-CZ3 4.36Å; Y227-W244 AromaticContact CD2-NE1 3.62Å; Y227-W244 HydrophobicContact CE2-CB 4.49Å; Y227-W244 AromaticContact CE2-CD1 3.4Å; Y227-W244 AromaticContact CE2-CD2 3.89Å; Y227-W244 HydrophobicContact CE2-CD2 3.89Å; Y227-W244 AromaticContact CE2-CE2 3.7Å; Y227-W244 AromaticContact CE2-CG 3.69Å; Y227-W244 HydrophobicContact CE2-CG 3.69Å; Y227-W244 HydrophobicContact CE2-CZ2 4.45Å; Y227-W244 AromaticContact CE2-NE1 3.37Å; Y227-W244 HydrophobicContact CG-CD2 4.45Å; Y227-W244 HydrophobicContact CG-CZ2 4.37Å
228V94.7Very high95.7Very high1 Ų161.6 Ų61.61%0.00631%0.305CS..THydrogen-bonded Turntrans-121.136.1-176.5-62.10000110.2D226 H230 V231 R237 L241 W244D226-V228 VanDerWaalsContact C-N 3.26Å; D226-V228 WeakPolarHBondContact OD1-CG2 3.34Å; D226-V228 PolarHBondContact OD1-N 2.98Å; V228-H230 PolarHBondContact O-N 3.26Å; V228-V231 HydrophobicContact CB-CB 4.26Å; V228-V231 HydrophobicContact CB-CG2 3.88Å; V228-V231 WeakPolarHBondContact O-CB 3.33Å; V228-V231 PolarHBondContact O-N 3.29Å; V228-R237 PolarHBondContact O-NH1 2.97Å; V228-L241 HydrophobicContact CG1-CD2 3.93Å; V228-L241 HydrophobicContact CG1-CG 4.24Å; V228-L241 HydrophobicContact CG2-CD1 4.32Å; V228-L241 HydrophobicContact CG2-CD2 3.82Å; V228-L241 HydrophobicContact CG2-CG 3.9Å; V228-W244 HydrophobicContact CG1-CZ3 4.47Å
229E93.5Very high95.6Very high67 Ų6758 Ų5831%0.31329%0.287SS..THydrogen-bonded Turntrans-52.7-29.1179.8-164.6-162139.300112.6R195 D226 K232R195-E229 IonicContact CZ-OE1 3.15Å; R195-E229 IonicContact CZ-OE2 2.78Å; R195-E229 VanDerWaalsContact NE-CD 3.3Å; R195-E229 IonicContact NE-OE1 3.36Å; R195-E229 PolarHBondContact NE-OE1 3.25Å; R195-E229 IonicContact NE-OE2 3.75Å; R195-E229 PolarHBondContact NE-OE2 3.27Å; R195-E229 IonicContact NH2-OE1 3.88Å; R195-E229 PolarHBondContact NH2-OE1 3.02Å; R195-E229 IonicContact NH2-OE2 3.01Å; D226-E229 HydrophobicContact CB-CB 4.15Å; D226-E229 PolarHBondContact OD1-N 2.74Å; D226-E229 VanDerWaalsContact OD2-CA 3.29Å; D226-E229 WeakPolarHBondContact OD2-CA 3.49Å; D226-E229 PolarHBondContact OD2-N 3.26Å; E229-K232 PolarHBondContact O-NZ 2.8Å
230H91Very high95.5Very high91 Ų9153.6 Ų53.642%0.42127%0.271SS..THydrogen-bonded Turntrans-74-21.9177.360.4-68.6000113.7V228 K232 D454V228-H230 PolarHBondContact O-N 3.26Å; H230-K232 PolarHBondContact O-N 3Å; H230-D454 IonicContact CD2-OD1 3.58Å; H230-D454 IonicContact CE1-OD1 3.58Å; H230-D454 PolarHBondContact CE1-OD1 3.23Å; H230-D454 IonicContact NE2-OD1 3.61Å; H230-D454 PolarHBondContact NE2-OD1 3.44Å; H230-D454 IonicContact NE2-OD2 2.7Å
231V93.5Very high95.6Very high13 Ų1348.9 Ų48.98%0.07925%0.246CC..  trans-80.8101.5-178.1-176.30000109.7V228 L236 R237 Y240V228-V231 HydrophobicContact CB-CB 4.26Å; V228-V231 HydrophobicContact CB-CG2 3.88Å; V228-V231 WeakPolarHBondContact O-CB 3.33Å; V228-V231 PolarHBondContact O-N 3.29Å; V231-L236 HydrophobicContact CG1-CB 4Å; V231-R237 HydrophobicContact CB-CG 4.36Å; V231-R237 HydrophobicContact CG1-CG 3.95Å; V231-Y240 HydrophobicContact CB-CD2 4.41Å; V231-Y240 HydrophobicContact CG1-CD2 3.87Å; V231-Y240 HydrophobicContact CG1-CE2 4.23Å; V231-Y240 HydrophobicContact CG2-CD1 4.07Å; V231-Y240 HydrophobicContact CG2-CD2 3.61Å; V231-Y240 HydrophobicContact CG2-CE1 4.45Å; V231-Y240 HydrophobicContact CG2-CE2 4.02Å; V231-Y240 HydrophobicContact CG2-CG 3.64Å
232K92.1Very high95.5Very high161 Ų16146.4 Ų46.470%0.723%0.232SC*.  trans-85.3-23.6-175.4-56.6-49.8-178.6-1680114.6E229 H230 P234E229-K232 PolarHBondContact O-NZ 2.8Å; H230-K232 PolarHBondContact O-N 3Å; K232-P234 WeakPolarHBondContact O-CD 3.5Å
233N94.2Very high95.4Very high68 Ų6844.5 Ų44.536%0.36422%0.219SC..  trans-83114.2175.2-175.8-3.9000109.2E235 L236N233-E235 PolarHBondContact O-N 2.77Å; N233-E235 PolarHBondContact OD1-N 2.84Å; N233-E235 VanDerWaalsContact OD1-N 3.09Å; N233-L236 HydrophobicContact CB-CB 4.33Å; N233-L236 HydrophobicContact CB-CD1 4.07Å; N233-L236 HydrophobicContact CB-CG 4.09Å; N233-L236 PolarHBondContact O-N 2.81Å; N233-L236 VanDerWaalsContact O-N 3.09Å
234P95.6Very high95.3Very high95 Ų9547.7 Ų47.762%0.61723%0.231SC*.G310 helixtrans-57.7-34179.6-23.835.2000113.3K232 L236 R237K232-P234 WeakPolarHBondContact O-CD 3.5Å; P234-L236 PolarHBondContact O-N 3.47Å; P234-R237 PolarHBondContact O-N 3.14Å
235E94.9Very high95.1Very high153 Ų15351 Ų5172%0.71525%0.246SC*.G310 helixtrans-67.1-22.8-179.5-61.7176.7171.200112.7N233 Y239N233-E235 PolarHBondContact O-N 2.77Å; N233-E235 PolarHBondContact OD1-N 2.84Å; N233-E235 VanDerWaalsContact OD1-N 3.09Å; E235-Y239 WeakPolarHBondContact O-CE2 3.19Å
236L95Very high94.7Very high42 Ų4257 Ų5722%0.2229%0.288CS..G310 helixtrans-89.8-17.6178.2-65.5-179.3000113V231 N233 P234 Y239 Y240 P398V231-L236 HydrophobicContact CG1-CB 4Å; N233-L236 HydrophobicContact CB-CB 4.33Å; N233-L236 HydrophobicContact CB-CD1 4.07Å; N233-L236 HydrophobicContact CB-CG 4.09Å; N233-L236 PolarHBondContact O-N 2.81Å; N233-L236 VanDerWaalsContact O-N 3.09Å; P234-L236 PolarHBondContact O-N 3.47Å; L236-Y239 PolarHBondContact O-N 2.85Å; L236-Y240 HydrophobicContact CB-CD2 4.25Å; L236-Y240 HydrophobicContact CB-CE2 4.23Å; L236-Y240 WeakPolarHBondContact O-CD2 3.34Å; L236-Y240 PolarHBondContact O-N 3.43Å; L236-P398 HydrophobicContact CD2-CG 3.6Å
237R96.2Very high94.7Very high38 Ų3859.7 Ų59.714%0.14330%0.3CS..Hα-helixtrans-56.2-46.7-173.9-67.7178.86680.53.2113D190 D226 V228 V231 P234 Y239 Y240 L241D190-R237 IonicContact OD1-CZ 3.85Å; D190-R237 VanDerWaalsContact OD1-CZ 3.28Å; D190-R237 IonicContact OD1-NE 2.7Å; D190-R237 PolarHBondContact OD1-NE 3.37Å; D190-R237 VanDerWaalsContact OD1-NE 3.13Å; D190-R237 IonicContact OD1-NH2 3.59Å; D190-R237 PolarHBondContact OD1-NH2 3.38Å; D226-R237 IonicContact OD1-CZ 3.39Å; D226-R237 IonicContact OD1-NH1 3.59Å; D226-R237 IonicContact OD1-NH2 2.83Å; D226-R237 PolarHBondContact OD1-NH2 3.36Å; D226-R237 IonicContact OD2-CZ 3.8Å; D226-R237 IonicContact OD2-NH1 2.78Å; D226-R237 PolarHBondContact OD2-NH1 3.03Å; D226-R237 IonicContact OD2-NH2 2.73Å; D226-R237 PolarHBondContact OD2-NH2 3.48Å; D226-R237 VanDerWaalsContact OD2-NH2 3.11Å; V228-R237 PolarHBondContact O-NH1 2.97Å; V231-R237 HydrophobicContact CB-CG 4.36Å; V231-R237 HydrophobicContact CG1-CG 3.95Å; P234-R237 PolarHBondContact O-N 3.14Å; R237-Y239 VanDerWaalsContact C-N 3.28Å; R237-Y239 PolarHBondContact O-N 2.97Å; R237-Y240 PolarHBondContact O-N 3.33Å; R237-L241 WeakPolarHBondContact O-CG 3.48Å; R237-L241 PolarHBondContact O-N 3.16Å
238P97.4Very high94.7Very high44 Ų4462.4 Ų62.429%0.28632%0.316SS..Hα-helixtrans-56.5-40.4-179.4-26.936.9000113.2Y240 L241 L242 F249P238-Y240 PolarHBondContact O-N 3.42Å; P238-L241 PolarHBondContact O-N 2.95Å; P238-L241 VanDerWaalsContact O-N 3.16Å; P238-L242 PolarHBondContact O-N 2.87Å; P238-F249 HydrophobicContact CB-CE1 4.38Å; P238-F249 HydrophobicContact CB-CZ 3.67Å
239Y96.7Very high94.9Very high25 Ų2562.7 Ų62.710%0.09832%0.318CS..Hα-helixtrans-66.1-37.9177.5-55.8-80.8000113.1E235 L236 R237 L241 F249 P398 C401 I450E235-Y239 WeakPolarHBondContact O-CE2 3.19Å; L236-Y239 PolarHBondContact O-N 2.85Å; R237-Y239 VanDerWaalsContact C-N 3.28Å; R237-Y239 PolarHBondContact O-N 2.97Å; Y239-L241 VanDerWaalsContact C-N 3.27Å; Y239-F249 HydrophobicContact CD1-CD1 4.4Å; Y239-F249 AromaticContact CD1-CD2 3.73Å; Y239-F249 HydrophobicContact CD1-CD2 3.73Å; Y239-F249 HydrophobicContact CD1-CE1 4.44Å; Y239-F249 AromaticContact CD1-CE2 3.76Å; Y239-F249 HydrophobicContact CD1-CE2 3.76Å; Y239-F249 HydrophobicContact CD1-CG 4.05Å; Y239-F249 HydrophobicContact CD1-CZ 4.13Å; Y239-F249 HydrophobicContact CE1-CB 4.04Å; Y239-F249 AromaticContact CE1-CD1 3.58Å; Y239-F249 HydrophobicContact CE1-CD1 3.58Å; Y239-F249 AromaticContact CE1-CD2 3.67Å; Y239-F249 HydrophobicContact CE1-CD2 3.67Å; Y239-F249 AromaticContact CE1-CE1 3.87Å; Y239-F249 HydrophobicContact CE1-CE1 3.87Å; Y239-F249 AromaticContact CE1-CE2 3.93Å; Y239-F249 HydrophobicContact CE1-CE2 3.93Å; Y239-F249 AromaticContact CE1-CG 3.47Å; Y239-F249 HydrophobicContact CE1-CG 3.47Å; Y239-F249 VanDerWaalsContact CE1-CG 3.47Å; Y239-F249 HydrophobicContact CE1-CZ 4.02Å; Y239-F249 HydrophobicContact CG-CE2 4.45Å; Y239-F249 AromaticContact CZ-CD1 3.94Å; Y239-P398 HydrophobicContact CD1-CB 4.38Å; Y239-P398 HydrophobicContact CD2-CB 4.35Å; Y239-P398 HydrophobicContact CD2-CG 3.96Å; Y239-P398 HydrophobicContact CE1-CB 3.84Å; Y239-P398 HydrophobicContact CE1-CG 4.47Å; Y239-P398 HydrophobicContact CE2-CB 3.8Å; Y239-P398 HydrophobicContact CE2-CG 3.71Å; Y239-P398 HydrophobicContact CG-CG 4.44Å; Y239-C401 HydrophobicContact CD1-CB 3.8Å; Y239-C401 HydrophobicContact CE1-CB 4.27Å; Y239-I450 WeakPolarHBondContact O-CD1 3.34Å
240Y95.8Very high94.9Very high33 Ų3360.3 Ų60.313%0.12931%0.309CS..Hα-helixtrans-74.1-20.3175.5-79.7-84.2000112.9V231 L236 R237 P238 P243 L397 I450 D454V231-Y240 HydrophobicContact CB-CD2 4.41Å; V231-Y240 HydrophobicContact CG1-CD2 3.87Å; V231-Y240 HydrophobicContact CG1-CE2 4.23Å; V231-Y240 HydrophobicContact CG2-CD1 4.07Å; V231-Y240 HydrophobicContact CG2-CD2 3.61Å; V231-Y240 HydrophobicContact CG2-CE1 4.45Å; V231-Y240 HydrophobicContact CG2-CE2 4.02Å; V231-Y240 HydrophobicContact CG2-CG 3.64Å; L236-Y240 HydrophobicContact CB-CD2 4.25Å; L236-Y240 HydrophobicContact CB-CE2 4.23Å; L236-Y240 WeakPolarHBondContact O-CD2 3.34Å; L236-Y240 PolarHBondContact O-N 3.43Å; R237-Y240 PolarHBondContact O-N 3.33Å; P238-Y240 PolarHBondContact O-N 3.42Å; Y240-P243 WeakPolarHBondContact O-CD 3.41Å; Y240-L397 HydrophobicContact CD1-CD2 4.4Å; Y240-L397 HydrophobicContact CD2-CD2 3.8Å; Y240-L397 HydrophobicContact CE1-CD2 4.13Å; Y240-L397 HydrophobicContact CE2-CD2 3.49Å; Y240-L397 VanDerWaalsContact CE2-CD2 3.49Å; Y240-L397 HydrophobicContact CG-CD2 4.25Å; Y240-I450 HydrophobicContact CD1-CG2 4.12Å; Y240-D454 VanDerWaalsContact CD1-OD1 3.28Å; Y240-D454 WeakPolarHBondContact CD1-OD1 3.33Å; Y240-D454 VanDerWaalsContact CE1-OD1 3.25Å; Y240-D454 WeakPolarHBondContact CE1-OD1 3.39Å
241L96.8Very high95.1Very high4 Ų463.2 Ų63.22%0.02133%0.325CS..Hα-helixtrans-85.5-13178.3-74.6170.4000114H188 V228 R237 P238 Y239 P243 W244 E245H188-L241 VanDerWaalsContact CD2-CD2 3.49Å; H188-L241 WeakPolarHBondContact CD2-CD2 3.36Å; H188-L241 WeakPolarHBondContact NE2-CD2 3.35Å; V228-L241 HydrophobicContact CG1-CD2 3.93Å; V228-L241 HydrophobicContact CG1-CG 4.24Å; V228-L241 HydrophobicContact CG2-CD1 4.32Å; V228-L241 HydrophobicContact CG2-CD2 3.82Å; V228-L241 HydrophobicContact CG2-CG 3.9Å; R237-L241 WeakPolarHBondContact O-CG 3.48Å; R237-L241 PolarHBondContact O-N 3.16Å; P238-L241 PolarHBondContact O-N 2.95Å; P238-L241 VanDerWaalsContact O-N 3.16Å; Y239-L241 VanDerWaalsContact C-N 3.27Å; L241-P243 VanDerWaalsContact C-N 3.27Å; L241-P243 WeakPolarHBondContact O-CD 3.3Å; L241-W244 HydrophobicContact CD2-CE3 4.42Å; L241-W244 PolarHBondContact O-N 2.76Å; L241-E245 HydrophobicContact CB-CB 4.35Å; L241-E245 PolarHBondContact O-N 3.45Å
242L96.4Very high95.1Very high12 Ų1266.4 Ų66.46%0.06334%0.339CS..THydrogen-bonded Turntrans-43.7-36.4177.7-79.4171.1000116.5P238 W244 E245 E247 F249 C401 L446 I450P238-L242 PolarHBondContact O-N 2.87Å; L242-W244 PolarHBondContact O-N 3.21Å; L242-E245 VanDerWaalsContact CA-O 3.32Å; L242-E245 WeakPolarHBondContact CA-O 3.48Å; L242-E247 HydrophobicContact CD2-CB 4.28Å; L242-E247 VanDerWaalsContact CD2-O 3.28Å; L242-E247 WeakPolarHBondContact CD2-O 3.29Å; L242-F249 HydrophobicContact CD1-CD2 4.12Å; L242-F249 HydrophobicContact CD1-CE2 4.04Å; L242-F249 HydrophobicContact CD2-CD2 4.13Å; L242-F249 HydrophobicContact CD2-CE2 3.76Å; L242-F249 HydrophobicContact CG-CD2 4.45Å; L242-F249 HydrophobicContact CG-CE2 3.97Å; L242-C401 HydrophobicContact CD1-CB 4.26Å; L242-L446 HydrophobicContact CD1-CD2 4.09Å; L242-I450 HydrophobicContact CB-CD1 3.57Å; L242-I450 HydrophobicContact CD1-CD1 3.71Å; L242-I450 HydrophobicContact CG-CD1 4.27Å
243P95.1Very high95.2Very high0 Ų062.9 Ų62.90%033%0.333CS..THydrogen-bonded Turntrans-58.4-28.5174.3-24.533.9000114K149 Y240 L241 D447 I450 K451K149-P243 WeakPolarHBondContact CD-O 3.4Å; K149-P243 WeakPolarHBondContact CE-O 3.37Å; K149-P243 WeakPolarHBondContact CG-O 3.3Å; Y240-P243 WeakPolarHBondContact O-CD 3.41Å; L241-P243 VanDerWaalsContact C-N 3.27Å; L241-P243 WeakPolarHBondContact O-CD 3.3Å; P243-D447 HydrophobicContact CB-CB 3.99Å; P243-D447 HydrophobicContact CG-CB 4.2Å; P243-I450 HydrophobicContact CG-CB 4.34Å; P243-I450 HydrophobicContact CG-CG2 4.15Å; P243-K451 HydrophobicContact CG-CD 4.23Å; P243-K451 HydrophobicContact CG-CG 4.45Å
244W94.5Very high95.2Very high66 Ų6660.7 Ų60.725%0.2532%0.321CS..THydrogen-bonded Turntrans-110.9-36.1-176.5-59.4-81000113.2K149 Y227 V228 L241 L242 K451K149-W244 PolarHBondContact O-NE1 3.06Å; Y227-W244 HydrophobicContact CD2-CB 4.46Å; Y227-W244 AromaticContact CD2-CD1 3.79Å; Y227-W244 AromaticContact CD2-CD2 3.41Å; Y227-W244 HydrophobicContact CD2-CD2 3.41Å; Y227-W244 VanDerWaalsContact CD2-CD2 3.41Å; Y227-W244 AromaticContact CD2-CE2 3.4Å; Y227-W244 VanDerWaalsContact CD2-CE2 3.4Å; Y227-W244 AromaticContact CD2-CE3 3.93Å; Y227-W244 HydrophobicContact CD2-CE3 3.93Å; Y227-W244 AromaticContact CD2-CG 3.65Å; Y227-W244 HydrophobicContact CD2-CG 3.65Å; Y227-W244 HydrophobicContact CD2-CH2 4.34Å; Y227-W244 AromaticContact CD2-CZ2 3.91Å; Y227-W244 HydrophobicContact CD2-CZ2 3.91Å; Y227-W244 HydrophobicContact CD2-CZ3 4.36Å; Y227-W244 AromaticContact CD2-NE1 3.62Å; Y227-W244 HydrophobicContact CE2-CB 4.49Å; Y227-W244 AromaticContact CE2-CD1 3.4Å; Y227-W244 AromaticContact CE2-CD2 3.89Å; Y227-W244 HydrophobicContact CE2-CD2 3.89Å; Y227-W244 AromaticContact CE2-CE2 3.7Å; Y227-W244 AromaticContact CE2-CG 3.69Å; Y227-W244 HydrophobicContact CE2-CG 3.69Å; Y227-W244 HydrophobicContact CE2-CZ2 4.45Å; Y227-W244 AromaticContact CE2-NE1 3.37Å; Y227-W244 HydrophobicContact CG-CD2 4.45Å; Y227-W244 HydrophobicContact CG-CZ2 4.37Å; V228-W244 HydrophobicContact CG1-CZ3 4.47Å; L241-W244 HydrophobicContact CD2-CE3 4.42Å; L241-W244 PolarHBondContact O-N 2.76Å; L242-W244 PolarHBondContact O-N 3.21Å; W244-K451 HydrophobicContact CH2-CD 3.8Å; W244-K451 HydrophobicContact CZ2-CD 4.44Å; W244-K451 HydrophobicContact CZ3-CD 4.41Å
245E93.5Very high95.1Very high87 Ų8759.6 Ų59.641%0.40731%0.308SS..SBendtrans-114.9108.2-177-63.4-17417500109.4H188 L241 L242 E247H188-E245 IonicContact CD2-OE1 2.76Å; H188-E245 PolarHBondContact CD2-OE1 3.31Å; L241-E245 HydrophobicContact CB-CB 4.35Å; L241-E245 PolarHBondContact O-N 3.45Å; L242-E245 VanDerWaalsContact CA-O 3.32Å; L242-E245 WeakPolarHBondContact CA-O 3.48Å; E245-E247 PolarHBondContact O-N 3.42Å
246S90.5Very high95.1Very high130 Ų13052.7 Ų52.791%0.90928%0.275SS*.  trans-72114.9178.9-176.60000110.1
247E95.3Very high95Very high86 Ų8653.6 Ų53.640%0.40228%0.283SS..  trans-132.5140.4173.5-170.2170.8173.100109.7L242 E245 F249 Q405L242-E247 HydrophobicContact CD2-CB 4.28Å; L242-E247 VanDerWaalsContact CD2-O 3.28Å; L242-E247 WeakPolarHBondContact CD2-O 3.29Å; E245-E247 PolarHBondContact O-N 3.42Å; E247-F249 HydrophobicContact CB-CE2 3.83Å; E247-F249 HydrophobicContact CB-CZ 3.83Å; E247-F249 VanDerWaalsContact CD-CE1 3.43Å; E247-F249 HydrophobicContact CG-CE1 3.84Å; E247-F249 HydrophobicContact CG-CE2 3.97Å; E247-F249 HydrophobicContact CG-CZ 3.54Å; E247-F249 VanDerWaalsContact OE1-CE1 3.3Å; E247-F249 WeakPolarHBondContact OE1-CE1 3.47Å; E247-F249 VanDerWaalsContact OE2-CZ 3.32Å; E247-F249 WeakPolarHBondContact OE2-CZ 3.43Å; E247-Q405 PolarHBondContact O-NE2 3.3Å
248D96.4Very high94.9Very high94 Ų9454.6 Ų54.650%0.50329%0.287SS..  trans-98.3109.8179.5-176.615.4000110.9S250D248-S250 VanDerWaalsContact CG-OG 3.27Å; D248-S250 WeakPolarHBondContact OD1-CA 3.47Å; D248-S250 WeakPolarHBondContact OD1-CB 3.39Å; D248-S250 PolarHBondContact OD1-N 2.87Å; D248-S250 PolarHBondContact OD1-OG 3.43Å; D248-S250 PolarHBondContact OD2-OG 2.9Å
249F97.8Very high94.7Very high8 Ų852.7 Ų52.74%0.03527%0.274CS..  trans-101.612.5174.1-56.3-72.1000112.4P238 Y239 L242 E247 I251 E252 A402 Q405P238-F249 HydrophobicContact CB-CE1 4.38Å; P238-F249 HydrophobicContact CB-CZ 3.67Å; Y239-F249 HydrophobicContact CD1-CD1 4.4Å; Y239-F249 AromaticContact CD1-CD2 3.73Å; Y239-F249 HydrophobicContact CD1-CD2 3.73Å; Y239-F249 HydrophobicContact CD1-CE1 4.44Å; Y239-F249 AromaticContact CD1-CE2 3.76Å; Y239-F249 HydrophobicContact CD1-CE2 3.76Å; Y239-F249 HydrophobicContact CD1-CG 4.05Å; Y239-F249 HydrophobicContact CD1-CZ 4.13Å; Y239-F249 HydrophobicContact CE1-CB 4.04Å; Y239-F249 AromaticContact CE1-CD1 3.58Å; Y239-F249 HydrophobicContact CE1-CD1 3.58Å; Y239-F249 AromaticContact CE1-CD2 3.67Å; Y239-F249 HydrophobicContact CE1-CD2 3.67Å; Y239-F249 AromaticContact CE1-CE1 3.87Å; Y239-F249 HydrophobicContact CE1-CE1 3.87Å; Y239-F249 AromaticContact CE1-CE2 3.93Å; Y239-F249 HydrophobicContact CE1-CE2 3.93Å; Y239-F249 AromaticContact CE1-CG 3.47Å; Y239-F249 HydrophobicContact CE1-CG 3.47Å; Y239-F249 VanDerWaalsContact CE1-CG 3.47Å; Y239-F249 HydrophobicContact CE1-CZ 4.02Å; Y239-F249 HydrophobicContact CG-CE2 4.45Å; Y239-F249 AromaticContact CZ-CD1 3.94Å; L242-F249 HydrophobicContact CD1-CD2 4.12Å; L242-F249 HydrophobicContact CD1-CE2 4.04Å; L242-F249 HydrophobicContact CD2-CD2 4.13Å; L242-F249 HydrophobicContact CD2-CE2 3.76Å; L242-F249 HydrophobicContact CG-CD2 4.45Å; L242-F249 HydrophobicContact CG-CE2 3.97Å; E247-F249 HydrophobicContact CB-CE2 3.83Å; E247-F249 HydrophobicContact CB-CZ 3.83Å; E247-F249 VanDerWaalsContact CD-CE1 3.43Å; E247-F249 HydrophobicContact CG-CE1 3.84Å; E247-F249 HydrophobicContact CG-CE2 3.97Å; E247-F249 HydrophobicContact CG-CZ 3.54Å; E247-F249 VanDerWaalsContact OE1-CE1 3.3Å; E247-F249 WeakPolarHBondContact OE1-CE1 3.47Å; E247-F249 VanDerWaalsContact OE2-CZ 3.32Å; E247-F249 WeakPolarHBondContact OE2-CZ 3.43Å; F249-I251 PolarHBondContact O-N 2.94Å; F249-E252 HydrophobicContact CB-CB 4.45Å; F249-E252 HydrophobicContact CB-CG 3.87Å; F249-E252 HydrophobicContact CD1-CG 4.04Å; F249-E252 HydrophobicContact CG-CG 4.46Å; F249-E252 VanDerWaalsContact O-CB 3.3Å; F249-E252 WeakPolarHBondContact O-CB 3.43Å; F249-E252 PolarHBondContact O-N 3.24Å; F249-A402 VanDerWaalsContact O-CA 3.26Å; F249-A402 WeakPolarHBondContact O-CA 3.35Å; F249-A402 VanDerWaalsContact O-CB 3.28Å; F249-A402 WeakPolarHBondContact O-CB 3.31Å; F249-Q405 VanDerWaalsContact CA-OE1 3.29Å; F249-Q405 VanDerWaalsContact CB-OE1 3.24Å
250S95.3Very high94.5Very high17 Ų1752.4 Ų52.412%0.11928%0.275CS..THydrogen-bonded Turntrans-60.5-17.6-175.266.20000115D248 N409D248-S250 VanDerWaalsContact CG-OG 3.27Å; D248-S250 WeakPolarHBondContact OD1-CA 3.47Å; D248-S250 WeakPolarHBondContact OD1-CB 3.39Å; D248-S250 PolarHBondContact OD1-N 2.87Å; D248-S250 PolarHBondContact OD1-OG 3.43Å; D248-S250 PolarHBondContact OD2-OG 2.9Å; S250-N409 WeakPolarHBondContact CB-ND2 3.42Å; S250-N409 PolarHBondContact OG-ND2 3.04Å
251I94.4Very high94.4Very high151 Ų15153.3 Ų53.377%0.77428%0.283SS*.THydrogen-bonded Turntrans-95.5-7177.363.7169.1000113.8F249F249-I251 PolarHBondContact O-N 2.94Å
252E94.4Very high94.2Very high80 Ų8057.2 Ų57.237%0.37431%0.305SS..SBendtrans-67.4154.9-179.3-71-60.5145.500111.7F249 I254 A402F249-E252 HydrophobicContact CB-CB 4.45Å; F249-E252 HydrophobicContact CB-CG 3.87Å; F249-E252 HydrophobicContact CD1-CG 4.04Å; F249-E252 HydrophobicContact CG-CG 4.46Å; F249-E252 VanDerWaalsContact O-CB 3.3Å; F249-E252 WeakPolarHBondContact O-CB 3.43Å; F249-E252 PolarHBondContact O-N 3.24Å; E252-I254 PolarHBondContact O-N 2.8Å; E252-A402 HydrophobicContact CB-CB 3.75Å
253P93.1Very high94.1Very high88 Ų8862.6 Ų62.657%0.57133%0.329SS*.  trans-62123.3-178.3-2333.8000113.1
254I94.4Very high94Very high21 Ų2162.8 Ų62.811%0.10833%0.33CS..  trans-102.794.4175.6-59.8161.9000108.9E252 I378 L382 F391 A402 Y403E252-I254 PolarHBondContact O-N 2.8Å; I254-I378 HydrophobicContact CB-CD1 3.72Å; I254-I378 HydrophobicContact CD1-CD1 3.72Å; I254-I378 HydrophobicContact CG1-CD1 4.34Å; I254-I378 HydrophobicContact CG2-CD1 3.64Å; I254-I378 HydrophobicContact CG2-CG1 4.31Å; I254-L382 HydrophobicContact CG2-CD1 3.87Å; I254-L382 HydrophobicContact CG2-CD2 4.2Å; I254-F391 HydrophobicContact CG2-CZ 4.23Å; I254-A402 HydrophobicContact CD1-CB 4.41Å; I254-A402 HydrophobicContact CG1-CB 3.74Å; I254-Y403 HydrophobicContact CG2-CD2 3.86Å; I254-Y403 HydrophobicContact CG2-CG 4.48Å
255E93.3Very high93.8Very high73 Ų7359.8 Ų59.834%0.34132%0.319SS..  trans-157.9144.9171.958.2179.6-170.300114.5T257 K381E255-T257 HydrophobicContact CG-CG2 4.03Å; E255-T257 PolarHBondContact O-N 3.3Å; E255-K381 IonicContact OE2-NZ 3.48Å; E255-K381 PolarHBondContact OE2-NZ 3.1Å
256H95.6Very high93.6Very high7 Ų758.5 Ų58.53%0.03232%0.317CS..  trans-69.8124.6170.9-59.9-56.6000111I259 L260 A359 K363 L382 T390 F391 E396H256-I259 HydrophobicContact CB-CD1 4.15Å; H256-I259 HydrophobicContact CB-CG1 4.09Å; H256-L260 HydrophobicContact CB-CD1 3.86Å; H256-L260 HydrophobicContact CB-CD2 4.1Å; H256-L260 HydrophobicContact CB-CG 3.97Å; H256-L260 VanDerWaalsContact O-CD1 3.3Å; H256-L260 WeakPolarHBondContact O-CD1 3.37Å; H256-A359 VanDerWaalsContact CD2-CB 3.48Å; H256-A359 WeakPolarHBondContact CD2-CB 2.98Å; H256-K363 PolarHBondContact O-NZ 3.03Å; H256-K363 VanDerWaalsContact O-NZ 3.1Å; H256-L382 PolarHBondContact CD2-O 3.24Å; H256-L382 PolarHBondContact NE2-O 3.28Å; H256-L382 VanDerWaalsContact NE2-O 3.16Å; H256-T390 PolarHBondContact CE1-O 3.33Å; H256-T390 VanDerWaalsContact CE1-O 3.29Å; H256-F391 AromaticContact CE1-CD1 3.84Å; H256-F391 AromaticContact CE1-CE1 3.91Å; H256-E396 WeakPolarHBondContact CA-OE1 3.5Å; H256-E396 IonicContact CE1-OE1 2.72Å; H256-E396 IonicContact CE1-OE2 3.13Å; H256-E396 IonicContact CG-OE1 3.54Å; H256-E396 IonicContact ND1-OE1 3.78Å; H256-E396 PolarHBondContact ND1-OE1 3.09Å; H256-E396 IonicContact ND1-OE2 3.7Å; H256-E396 PolarHBondContact ND1-OE2 3.25Å
257T91.7Very high93.3Very high62 Ų6253.5 Ų53.538%0.3828%0.282SS..  trans-123.4-82-179.257.60000111.4E255 I259 L260E255-T257 HydrophobicContact CG-CG2 4.03Å; E255-T257 PolarHBondContact O-N 3.3Å; T257-I259 VanDerWaalsContact C-N 3.35Å; T257-I259 PolarHBondContact O-N 2.94Å; T257-L260 PolarHBondContact O-N 3.37Å
258Y94Very high92.3Very high59 Ų5956.9 Ų56.923%0.23130%0.298CS..G310 helixtrans-60.5-39.5-172.6-179.5-109.2000113.1L260 T261 E263 Y264 Y395Y258-L260 PolarHBondContact O-N 3.4Å; Y258-T261 WeakPolarHBondContact O-CB 3.48Å; Y258-T261 WeakPolarHBondContact O-CG2 3.19Å; Y258-T261 PolarHBondContact O-N 2.8Å; Y258-T261 PolarHBondContact O-OG1 3.41Å; Y258-E263 HydrophobicContact CE2-CB 4.34Å; Y258-E263 HydrophobicContact CE2-CG 4.19Å; Y258-Y264 HydrophobicContact CD1-CD2 4.14Å; Y258-Y264 AromaticContact CE1-CD2 3.89Å; Y258-Y264 HydrophobicContact CE1-CD2 3.89Å; Y258-Y264 HydrophobicContact CE1-CG 4.47Å; Y258-Y264 WeakPolarHBondContact O-CB 3.45Å; Y258-Y395 AromaticContact CD1-CD1 3.57Å; Y258-Y395 HydrophobicContact CD1-CD1 3.57Å; Y258-Y395 HydrophobicContact CD1-CD2 4.24Å; Y258-Y395 HydrophobicContact CD1-CE1 4.1Å; Y258-Y395 AromaticContact CD1-CG 3.65Å; Y258-Y395 HydrophobicContact CD1-CG 3.65Å; Y258-Y395 AromaticContact CE1-CD1 3.48Å; Y258-Y395 HydrophobicContact CE1-CD1 3.48Å; Y258-Y395 VanDerWaalsContact CE1-CD1 3.48Å; Y258-Y395 HydrophobicContact CE1-CD2 4.26Å; Y258-Y395 AromaticContact CE1-CE1 3.49Å; Y258-Y395 HydrophobicContact CE1-CE1 3.49Å; Y258-Y395 VanDerWaalsContact CE1-CE1 3.49Å; Y258-Y395 HydrophobicContact CE1-CE2 4.27Å; Y258-Y395 AromaticContact CE1-CG 3.88Å; Y258-Y395 HydrophobicContact CE1-CG 3.88Å; Y258-Y395 AromaticContact CE1-CZ 3.9Å
259I93.3Very high91.4Very high3 Ų356.1 Ų56.12%0.01529%0.287CS..G310 helixtrans-65.4-11.6-177.669.4161.5000114.1H256 T257 Y264 F265 A359 N392 E396H256-I259 HydrophobicContact CB-CD1 4.15Å; H256-I259 HydrophobicContact CB-CG1 4.09Å; T257-I259 VanDerWaalsContact C-N 3.35Å; T257-I259 PolarHBondContact O-N 2.94Å; I259-Y264 HydrophobicContact CB-CD1 4.18Å; I259-Y264 HydrophobicContact CB-CE1 4.09Å; I259-Y264 HydrophobicContact CB-CE2 4.48Å; I259-Y264 HydrophobicContact CB-CG 4.39Å; I259-Y264 HydrophobicContact CG2-CD2 4.32Å; I259-Y264 HydrophobicContact CG2-CE2 4.07Å; I259-Y264 WeakPolarHBondContact O-CD1 3.16Å; I259-F265 WeakPolarHBondContact O-CE2 3.39Å; I259-A359 HydrophobicContact CD1-CB 4.5Å; I259-N392 HydrophobicContact CG2-CB 4.02Å; I259-E396 WeakPolarHBondContact CD1-OE1 3.48Å; I259-E396 WeakPolarHBondContact CD1-OE2 3.43Å; I259-E396 WeakPolarHBondContact CG1-OE1 3.5Å; I259-E396 HydrophobicContact CG2-CG 3.99Å
260L93.6Very high90.6Very high20 Ų2060.6 Ų60.611%0.10532%0.315CS..G310 helixtrans-93.9-3.8179.5-50.5-177.1000112.8H256 T257 Y258 A359 S360 K363 R581H256-L260 HydrophobicContact CB-CD1 3.86Å; H256-L260 HydrophobicContact CB-CD2 4.1Å; H256-L260 HydrophobicContact CB-CG 3.97Å; H256-L260 VanDerWaalsContact O-CD1 3.3Å; H256-L260 WeakPolarHBondContact O-CD1 3.37Å; T257-L260 PolarHBondContact O-N 3.37Å; Y258-L260 PolarHBondContact O-N 3.4Å; L260-A359 HydrophobicContact CD2-CB 3.99Å; L260-S360 WeakPolarHBondContact CD2-OG 3.42Å; L260-K363 HydrophobicContact CD1-CD 3.39Å; L260-R581 PolarHBondContact O-NH1 3.47Å; L260-R581 VanDerWaalsContact O-NH1 3.11Å
261T93.9Very high90.2Very high51 Ų5163.4 Ų63.431%0.31333%0.327SS..SBendtrans-90.6152.4-174.169.50000112.3Y258 E263 Y264 F265Y258-T261 WeakPolarHBondContact O-CB 3.48Å; Y258-T261 WeakPolarHBondContact O-CG2 3.19Å; Y258-T261 PolarHBondContact O-N 2.8Å; Y258-T261 PolarHBondContact O-OG1 3.41Å; T261-E263 PolarHBondContact O-N 2.95Å; T261-Y264 PolarHBondContact O-N 2.79Å; T261-Y264 PolarHBondContact OG1-N 3.04Å; T261-F265 WeakPolarHBondContact O-CD2 3.32Å
262D92.1Very high90.1Very high87 Ų8757.1 Ų57.147%0.46529%0.294SS..Hα-helixtrans-61.3-29.2173.7-68.6-10.7000112.4Y264 F265 T266 P580 R581D262-Y264 VanDerWaalsContact C-N 3.34Å; D262-Y264 PolarHBondContact O-N 3.44Å; D262-F265 PolarHBondContact O-N 2.96Å; D262-T266 WeakPolarHBondContact O-CG2 3.37Å; D262-T266 PolarHBondContact O-N 3.02Å; D262-T266 PolarHBondContact O-OG1 3.46Å; D262-P580 HydrophobicContact CB-CG 3.99Å; D262-R581 WeakPolarHBondContact OD1-CD 3.36Å; D262-R581 VanDerWaalsContact OD1-CG 3.26Å; D262-R581 WeakPolarHBondContact OD1-CG 3.36Å; D262-R581 IonicContact OD1-NE 2.68Å; D262-R581 PolarHBondContact OD1-NE 2.8Å
263E94Very high90.1Very high125 Ų12558.3 Ų58.358%0.58430%0.298SS*.Hα-helixtrans-60.7-42.7176.6-172.2174.1-17100111.5Y258 T261 F265 T266 S267Y258-E263 HydrophobicContact CE2-CB 4.34Å; Y258-E263 HydrophobicContact CE2-CG 4.19Å; T261-E263 PolarHBondContact O-N 2.95Å; E263-F265 VanDerWaalsContact C-N 3.35Å; E263-F265 PolarHBondContact O-N 3.03Å; E263-T266 WeakPolarHBondContact CA-OG1 3.25Å; E263-T266 PolarHBondContact O-N 2.72Å; E263-T266 VanDerWaalsContact O-N 3.15Å; E263-T266 PolarHBondContact O-OG1 3.07Å; E263-S267 VanDerWaalsContact O-CB 3.23Å; E263-S267 WeakPolarHBondContact O-CB 3.23Å; E263-S267 PolarHBondContact O-N 3.33Å; E263-S267 PolarHBondContact O-OG 2.84Å
264Y92.7Very high90.1Very high4 Ų457.4 Ų57.42%0.01629%0.288CS..Hα-helixtrans-60.6-42.2175.8172.9-107.2000112.8Y258 I259 T261 D262 T266 S267 D352 Y353 S356 N392 Y395Y258-Y264 HydrophobicContact CD1-CD2 4.14Å; Y258-Y264 AromaticContact CE1-CD2 3.89Å; Y258-Y264 HydrophobicContact CE1-CD2 3.89Å; Y258-Y264 HydrophobicContact CE1-CG 4.47Å; Y258-Y264 WeakPolarHBondContact O-CB 3.45Å; I259-Y264 HydrophobicContact CB-CD1 4.18Å; I259-Y264 HydrophobicContact CB-CE1 4.09Å; I259-Y264 HydrophobicContact CB-CE2 4.48Å; I259-Y264 HydrophobicContact CB-CG 4.39Å; I259-Y264 HydrophobicContact CG2-CD2 4.32Å; I259-Y264 HydrophobicContact CG2-CE2 4.07Å; I259-Y264 WeakPolarHBondContact O-CD1 3.16Å; T261-Y264 PolarHBondContact O-N 2.79Å; T261-Y264 PolarHBondContact OG1-N 3.04Å; D262-Y264 VanDerWaalsContact C-N 3.34Å; D262-Y264 PolarHBondContact O-N 3.44Å; Y264-T266 VanDerWaalsContact C-N 3.26Å; Y264-T266 PolarHBondContact O-N 3.09Å; Y264-S267 PolarHBondContact O-OG 2.73Å; Y264-D352 WeakPolarHBondContact OH-CB 3.47Å; Y264-D352 PolarHBondContact OH-OD2 3.16Å; Y264-Y353 HydrophobicContact CD1-CD1 4.28Å; Y264-Y353 AromaticContact CD1-CE1 3.95Å; Y264-Y353 HydrophobicContact CD1-CE1 3.95Å; Y264-Y353 AromaticContact CE1-CD1 3.52Å; Y264-Y353 HydrophobicContact CE1-CD1 3.52Å; Y264-Y353 AromaticContact CE1-CE1 3.48Å; Y264-Y353 HydrophobicContact CE1-CE1 3.48Å; Y264-Y353 VanDerWaalsContact CE1-CE1 3.48Å; Y264-Y353 AromaticContact CZ-CE1 3.92Å; Y264-Y353 PolarHBondContact O-OH 3.39Å; Y264-S356 VanDerWaalsContact CE1-OG 3.26Å; Y264-S356 WeakPolarHBondContact CE1-OG 3.08Å; Y264-N392 PolarHBondContact OH-ND2 2.99Å; Y264-Y395 AromaticContact CD2-CD2 3.98Å; Y264-Y395 HydrophobicContact CD2-CD2 3.98Å; Y264-Y395 AromaticContact CD2-CE2 3.81Å; Y264-Y395 HydrophobicContact CD2-CE2 3.81Å; Y264-Y395 AromaticContact CE2-CD2 3.64Å; Y264-Y395 HydrophobicContact CE2-CD2 3.64Å; Y264-Y395 AromaticContact CE2-CE2 3.54Å; Y264-Y395 HydrophobicContact CE2-CE2 3.54Å
265F90.6Very high90Very high3 Ų357.8 Ų57.81%0.01329%0.292CS..Hα-helixtrans-73.7-15.5178.4-71.8-94.2000113.6I259 T261 D262 E263 V347 Y353 P580 R581I259-F265 WeakPolarHBondContact O-CE2 3.39Å; T261-F265 WeakPolarHBondContact O-CD2 3.32Å; D262-F265 PolarHBondContact O-N 2.96Å; E263-F265 VanDerWaalsContact C-N 3.35Å; E263-F265 PolarHBondContact O-N 3.03Å; F265-V347 HydrophobicContact CE1-CG2 4.01Å; F265-Y353 AromaticContact CD1-CD1 3.88Å; F265-Y353 HydrophobicContact CD1-CD1 3.88Å; F265-Y353 HydrophobicContact CD1-CD2 4.17Å; F265-Y353 AromaticContact CD1-CE1 3.92Å; F265-Y353 HydrophobicContact CD1-CE1 3.92Å; F265-Y353 HydrophobicContact CD1-CE2 4.19Å; F265-Y353 AromaticContact CD1-CG 3.99Å; F265-Y353 HydrophobicContact CD1-CG 3.99Å; F265-Y353 AromaticContact CE1-CD1 3.75Å; F265-Y353 HydrophobicContact CE1-CD1 3.75Å; F265-Y353 HydrophobicContact CE1-CD2 4.34Å; F265-Y353 HydrophobicContact CE1-CE1 4.25Å; F265-Y353 AromaticContact CE1-CG 3.78Å; F265-Y353 HydrophobicContact CE1-CG 3.78Å; F265-Y353 HydrophobicContact CG-CE1 4.37Å; F265-Y353 HydrophobicContact CZ-CD1 4.44Å; F265-Y353 PolarHBondContact O-OH 3.41Å; F265-P580 HydrophobicContact CB-CB 3.92Å; F265-P580 HydrophobicContact CB-CG 3.94Å; F265-R581 HydrophobicContact CD2-CG 3.65Å; F265-R581 HydrophobicContact CE2-CB 4.5Å; F265-R581 HydrophobicContact CE2-CG 3.92Å; F265-R581 HydrophobicContact CG-CG 4.03Å
266T89.3Confident89.8Confident60 Ų6058.2 Ų58.237%0.36830%0.296SS..Hα-helixtrans-104.6-27.4-179.550.30000113.8D262 E263 Y264 Q271 P580D262-T266 WeakPolarHBondContact O-CG2 3.37Å; D262-T266 PolarHBondContact O-N 3.02Å; D262-T266 PolarHBondContact O-OG1 3.46Å; E263-T266 WeakPolarHBondContact CA-OG1 3.25Å; E263-T266 PolarHBondContact O-N 2.72Å; E263-T266 VanDerWaalsContact O-N 3.15Å; E263-T266 PolarHBondContact O-OG1 3.07Å; Y264-T266 VanDerWaalsContact C-N 3.26Å; Y264-T266 PolarHBondContact O-N 3.09Å; T266-Q271 PolarHBondContact O-NE2 3.35Å; T266-Q271 VanDerWaalsContact O-NE2 3.08Å; T266-P580 HydrophobicContact CG2-CB 3.87Å; T266-P580 HydrophobicContact CG2-CG 3.79Å
267S84.5Confident88.5Confident24 Ų2464.3 Ų64.317%0.16834%0.337CS..THydrogen-bonded Turntrans-68.1148.2179.776.20000112.1E263 Y264 R269E263-S267 VanDerWaalsContact O-CB 3.23Å; E263-S267 WeakPolarHBondContact O-CB 3.23Å; E263-S267 PolarHBondContact O-N 3.33Å; E263-S267 PolarHBondContact O-OG 2.84Å; Y264-S267 PolarHBondContact O-OG 2.73Å; S267-R269 PolarHBondContact O-N 3.09Å
268H73.7Confident87Confident158 Ų15865.1 Ų65.173%0.73134%0.337SS*.THydrogen-bonded Turntrans57.912.5171.6-51.894.1000116.6Y395H268-Y395 PolarHBondContact CE1-OH 3.43Å; H268-Y395 PolarHBondContact ND1-OH 3.32Å
269R78.2Confident85.1Confident77 Ų7770.7 Ų70.729%0.29137%0.369SS..SBendtrans-136.4151.5-179.4-57.5-161.1-165.5-947.9112.5S267 Q271 D352 Y353S267-R269 PolarHBondContact O-N 3.09Å; R269-Q271 PolarHBondContact O-N 3.03Å; R269-Q271 PolarHBondContact O-NE2 3.41Å; R269-D352 IonicContact CZ-OD2 3.94Å; R269-D352 VanDerWaalsContact NH2-CG 3.28Å; R269-D352 IonicContact NH2-OD1 2.65Å; R269-D352 PolarHBondContact NH2-OD1 3.3Å; R269-D352 IonicContact NH2-OD2 3.89Å; R269-D352 PolarHBondContact NH2-OD2 3.16Å; R269-Y353 WeakPolarHBondContact CD-OH 3.11Å; R269-Y353 VanDerWaalsContact NE-CZ 3.28Å; R269-Y353 PolarHBondContact NE-OH 2.95Å
270V81.4Confident83.6Confident102 Ų10272.5 Ų72.562%0.61838%0.378SS*.PPolyproline II helixtrans-75.9118.6176.2-178.40000108.9K325V270-K325 HydrophobicContact CB-CD 4.38Å; V270-K325 HydrophobicContact CG1-CD 3.82Å
271Q85.1Confident82.5Confident77 Ų7779.6 Ų79.636%0.3641%0.411SS..PPolyproline II helixtrans-73.5141.1-179.4-60.2-54.9-54.200111.8T266 R269T266-Q271 PolarHBondContact O-NE2 3.35Å; T266-Q271 VanDerWaalsContact O-NE2 3.08Å; R269-Q271 PolarHBondContact O-N 3.03Å; R269-Q271 PolarHBondContact O-NE2 3.41Å
272E93Very high81.3Confident19 Ų1980.8 Ų80.89%0.08942%0.42CS..PPolyproline II helixtrans-77.9147171-62.4173.5-176.600110.1H323 K325 F327 P343 G344 Y346E272-H323 IonicContact OE1-CE1 2.85Å; E272-H323 PolarHBondContact OE1-CE1 3.48Å; E272-H323 IonicContact OE1-NE2 3.73Å; E272-H323 PolarHBondContact OE1-NE2 3.28Å; E272-K325 CarbonylContact C-O 3.51Å; E272-K325 WeakPolarHBondContact CA-O 3.38Å; E272-F327 HydrophobicContact CB-CD2 4.48Å; E272-F327 HydrophobicContact CG-CE2 4.39Å; E272-P343 WeakPolarHBondContact OE2-CA 3.16Å; E272-G344 PolarHBondContact OE2-N 2.92Å; E272-Y346 HydrophobicContact CG-CE1 4.19Å; E272-Y346 VanDerWaalsContact OE1-CD1 3.29Å; E272-Y346 WeakPolarHBondContact OE1-CD1 3.44Å; E272-Y346 WeakPolarHBondContact OE1-CE1 3.19Å
273K94.4Very high80.7Confident104 Ų10477.7 Ų77.745%0.45240%0.403SS..BIsolated β-bridgetrans-91.3119.8167.5-62.1178.4-172.3166.20108.8K325 D326 F327 E328K273-K325 PolarHBondContact N-O 3.39Å; K273-D326 WeakPolarHBondContact CD-OD1 3.39Å; K273-D326 IonicContact NZ-OD1 3.05Å; K273-D326 IonicContact NZ-OD2 3.26Å; K273-D326 PolarHBondContact NZ-OD2 2.97Å; K273-F327 WeakPolarHBondContact O-CA 3.48Å; K273-F327 VanDerWaalsContact O-CB 3.27Å; K273-F327 WeakPolarHBondContact O-CB 3.44Å; K273-F327 PolarHBondContact O-N 2.84Å; K273-E328 HydrophobicContact CB-CB 3.8Å; K273-E328 HydrophobicContact CD-CB 4.46Å; K273-E328 PolarHBondContact O-N 2.94Å; K273-E328 VanDerWaalsContact O-N 3.16Å
274L93.9Very high79.9Confident69 Ų6979.8 Ų79.836%0.36141%0.41SS..PPolyproline II helixtrans-72.2150.6-177.4-60.3-180000111.7E328 P343 I584L274-E328 WeakPolarHBondContact O-CA 3.35Å; L274-E328 WeakPolarHBondContact O-CB 3.26Å; L274-E328 PolarHBondContact O-N 2.78Å; L274-P343 HydrophobicContact CD2-CB 3.84Å; L274-I584 HydrophobicContact CD2-CG1 4.25Å
275P91.9Very high79.6Confident29 Ų2984.8 Ų84.819%0.18843%0.429CS..PPolyproline II helixtrans-65.5146.6179.128.8-35.1000111.9F327 P343 N586P275-F327 HydrophobicContact CB-CB 4.27Å; P275-F327 HydrophobicContact CG-CB 4.43Å; P275-P343 HydrophobicContact CG-CG 4.45Å; P275-N586 HydrophobicContact CG-CB 4.28Å
276I89.2Confident79.4Confident83 Ų8391.1 Ų91.143%0.42646%0.459SS..PPolyproline II helixtrans-77.4126.8170.3-63.6174000107.8Q278 E328 S331 I332I276-Q278 PolarHBondContact O-N 3.29Å; I276-E328 HydrophobicContact CD1-CG 4.08Å; I276-E328 HydrophobicContact CG1-CG 4.09Å; I276-S331 PolarHBondContact N-OG 3.16Å; I276-I332 HydrophobicContact CD1-CD1 3.69Å; I276-I332 HydrophobicContact CD1-CG1 3.93Å
277C67.6Low79.7Confident134 Ų13494.8 Ų94.891%0.90547%0.467SS*.  trans-56.3104.2-178.6-71.60000112
278Q60.1Low80.3Confident79 Ų7993.8 Ų93.837%0.36946%0.459SS..  trans-111.7126.1162.8-64.4-178.615.500107.5I276 N280 S331 P335I276-Q278 PolarHBondContact O-N 3.29Å; Q278-N280 PolarHBondContact O-N 3.36Å; Q278-S331 PolarHBondContact NE2-O 2.77Å; Q278-P335 VanDerWaalsContact OE1-CB 3.3Å
279I55.7Low81.4Confident176 Ų17688.1 Ų88.190%0.90344%0.436SS*.  trans-69.490172.8-59.2166.7000106.5
280N60.9Low82.4Confident41 Ų4184.4 Ų84.422%0.21942%0.422CS..  trans-108.4121.1171.4-63.8-17.2000107.8Q278 P335 V587Q278-N280 PolarHBondContact O-N 3.36Å; N280-P335 PolarHBondContact ND2-O 2.79Å; N280-V587 HydrophobicContact CB-CG2 4.06Å
281E69.8Low83.2Confident169 Ų16982.1 Ų82.179%0.7940%0.402SS*.  trans-57.8153.7162.5-68.4-171.9169.800109.2I283E281-I283 PolarHBondContact O-N 2.77Å; E281-I283 VanDerWaalsContact O-N 3.13Å
282P70.2Confident83.8Confident76 Ų7678.5 Ų78.549%0.49439%0.385SS..  trans-50.1124.8173.2-25.233.1000110.6K284P282-K284 PolarHBondContact O-N 3.47Å; P282-K284 VanDerWaalsContact O-N 3.1Å
283I77.7Confident83.8Confident22 Ų2280.3 Ų80.311%0.11340%0.396CS..  trans-63.6112.8178.7-56.8139.7000107.9E281 R285 N336 Y338E281-I283 PolarHBondContact O-N 2.77Å; E281-I283 VanDerWaalsContact O-N 3.13Å; I283-R285 HydrophobicContact CG2-CG 4.12Å; I283-N336 WeakPolarHBondContact CD1-O 3.5Å; I283-N336 HydrophobicContact CG1-CB 4.44Å; I283-Y338 HydrophobicContact CB-CE2 3.79Å; I283-Y338 HydrophobicContact CD1-CD1 4.35Å; I283-Y338 HydrophobicContact CD1-CD2 4.33Å; I283-Y338 HydrophobicContact CD1-CE1 4.03Å; I283-Y338 HydrophobicContact CD1-CE2 4.05Å; I283-Y338 HydrophobicContact CD1-CG 4.48Å; I283-Y338 HydrophobicContact CG2-CE2 4.45Å; I283-Y338 PolarHBondContact N-OH 3.46Å; I283-Y338 PolarHBondContact O-OH 2.7Å
284K78.1Confident83.7Confident169 Ų16977.1 Ų77.174%0.73538%0.384SS*.  trans-103.3124175.2-68.3-176.8-178.9179.70109.6P282P282-K284 PolarHBondContact O-N 3.47Å; P282-K284 VanDerWaalsContact O-N 3.1Å
285R86.1Confident83.6Confident110 Ų11079.6 Ų79.642%0.41540%0.397SS..  trans-139.3153.9174.7-62.1-174.9177-153.412109.9I283 Y287 F288 D316I283-R285 HydrophobicContact CG2-CG 4.12Å; R285-Y287 WeakPolarHBondContact CB-O 3.22Å; R285-F288 HydrophobicContact CB-CD1 4.49Å; R285-F288 HydrophobicContact CB-CD2 4.28Å; R285-F288 HydrophobicContact CB-CE1 4.05Å; R285-F288 HydrophobicContact CB-CE2 3.82Å; R285-F288 HydrophobicContact CB-CZ 3.71Å; R285-F288 HydrophobicContact CG-CE1 4.22Å; R285-F288 HydrophobicContact CG-CZ 4.23Å; R285-F288 WeakPolarHBondContact O-CE2 3.03Å; R285-D316 IonicContact CZ-OD1 3.37Å; R285-D316 IonicContact NE-OD1 3.28Å; R285-D316 VanDerWaalsContact NH1-CG 3.33Å; R285-D316 IonicContact NH1-OD1 3.74Å; R285-D316 PolarHBondContact NH1-OD1 2.89Å; R285-D316 IonicContact NH1-OD2 3.78Å; R285-D316 PolarHBondContact NH1-OD2 2.7Å; R285-D316 IonicContact NH2-OD1 3.52Å; R285-D316 PolarHBondContact NH2-OD1 2.9Å
286E87.1Confident83.6Confident136 Ų13680.8 Ų80.864%0.63640%0.4SS*.SBendtrans-79.4-30.6173-166.4177.3-17600111.4Q305E286-Q305 WeakPolarHBondContact O-CG 3.34Å; E286-Q305 PolarHBondContact O-NE2 3.47Å
287Y94.5Very high83.9Confident137 Ų13776.9 Ų76.954%0.53738%0.38SS..SBendtrans-134.1143.6178-60.8-89.2000110.2R285 Q305R285-Y287 WeakPolarHBondContact CB-O 3.22Å; Y287-Q305 CarbonylContact C-O 3.55Å; Y287-Q305 WeakPolarHBondContact CA-O 3.36Å; Y287-Q305 HydrophobicContact CE1-CG 4.48Å
288F97.1Very high85.2Confident2 Ų275.5 Ų75.51%0.00936%0.359CS..EExtended strand (participates in β ladder)trans-125135.9179.2-72.7-90.7000111.1R285 Q305 F306 T307 D316 I317 Y338 F646 L647R285-F288 HydrophobicContact CB-CD1 4.49Å; R285-F288 HydrophobicContact CB-CD2 4.28Å; R285-F288 HydrophobicContact CB-CE1 4.05Å; R285-F288 HydrophobicContact CB-CE2 3.82Å; R285-F288 HydrophobicContact CB-CZ 3.71Å; R285-F288 HydrophobicContact CG-CE1 4.22Å; R285-F288 HydrophobicContact CG-CZ 4.23Å; R285-F288 WeakPolarHBondContact O-CE2 3.03Å; F288-Q305 PolarHBondContact N-O 2.64Å; F288-F306 HydrophobicContact CB-CD1 3.77Å; F288-F306 HydrophobicContact CB-CE1 3.96Å; F288-F306 HydrophobicContact CD2-CE1 4.13Å; F288-F306 HydrophobicContact CG-CE1 4.29Å; F288-F306 WeakPolarHBondContact O-CA 3.5Å; F288-T307 PolarHBondContact O-N 3.25Å; F288-D316 HydrophobicContact CB-CB 4.43Å; F288-D316 HydrophobicContact CD1-CB 3.75Å; F288-I317 HydrophobicContact CB-CD1 3.74Å; F288-I317 HydrophobicContact CB-CG1 4.36Å; F288-I317 HydrophobicContact CD1-CD1 3.84Å; F288-I317 HydrophobicContact CD1-CG1 3.94Å; F288-I317 HydrophobicContact CG-CD1 3.85Å; F288-I317 HydrophobicContact CG-CG1 4.41Å; F288-Y338 HydrophobicContact CE1-CD2 4.09Å; F288-Y338 AromaticContact CE1-CE2 3.91Å; F288-Y338 HydrophobicContact CE1-CE2 3.91Å; F288-Y338 HydrophobicContact CZ-CE2 4.34Å; F288-F646 HydrophobicContact CE2-CB 4.41Å; F288-L647 HydrophobicContact CD2-CD2 3.88Å; F288-L647 HydrophobicContact CE2-CD2 3.79Å
289T97.8Very high86.9Confident39 Ų3977.8 Ų77.824%0.23937%0.369CS..EExtended strand (participates in β ladder)trans-87.6135.8165.756.30000110.8T307 V309 K314 D316 I317T289-T307 CarbonylContact C-O 3.29Å; T289-T307 VanDerWaalsContact CA-O 3.24Å; T289-T307 WeakPolarHBondContact CA-O 3.43Å; T289-V309 HydrophobicContact CG2-CG1 4.01Å; T289-K314 PolarHBondContact OG1-O 3.29Å; T289-D316 PolarHBondContact N-OD2 2.97Å; T289-D316 WeakPolarHBondContact O-CA 3.47Å; T289-D316 PolarHBondContact O-N 3.42Å; T289-D316 PolarHBondContact OG1-N 3.23Å; T289-D316 PolarHBondContact OG1-OD2 2.86Å; T289-I317 PolarHBondContact O-N 3.14Å
290V98.5Very high88.9Confident0 Ų071.6 Ų71.60%034%0.335CS..EExtended strand (participates in β ladder)trans-122.2126.6-173-174.10000110.2L301 F306 T307 F308 V309 I317 F642V290-L301 HydrophobicContact CG1-CD2 4.4Å; V290-L301 HydrophobicContact CG2-CD2 4.22Å; V290-F306 HydrophobicContact CG2-CB 4.02Å; V290-F306 HydrophobicContact CG2-CD1 3.84Å; V290-F306 HydrophobicContact CG2-CG 4.36Å; V290-T307 PolarHBondContact N-O 3.05Å; V290-F308 HydrophobicContact CB-CD1 4.08Å; V290-F308 HydrophobicContact CB-CE1 4.21Å; V290-F308 HydrophobicContact CG1-CD1 4.3Å; V290-F308 HydrophobicContact CG1-CE1 4.08Å; V290-F308 CarbonylContact O-C 3.53Å; V290-F308 VanDerWaalsContact O-CA 3.29Å; V290-F308 WeakPolarHBondContact O-CA 3.44Å; V290-V309 PolarHBondContact O-N 3.49Å; V290-I317 WeakPolarHBondContact CA-O 3.41Å; V290-I317 HydrophobicContact CG2-CB 4.3Å; V290-I317 HydrophobicContact CG2-CD1 4.25Å; V290-F642 HydrophobicContact CG1-CE1 3.99Å; V290-F642 HydrophobicContact CG1-CZ 4.43Å; V290-F642 HydrophobicContact CG2-CE1 4.17Å
291Y98.1Very high90.6Very high53 Ų5370 Ų7021%0.20833%0.327CS..EExtended strand (participates in β ladder)trans-102.5136.3163.5171.3-92.4000109.4P312 I317 I318 W319 M320Y291-P312 HydrophobicContact CD1-CB 4.15Å; Y291-P312 HydrophobicContact CD1-CG 3.73Å; Y291-P312 HydrophobicContact CD2-CG 4.26Å; Y291-P312 HydrophobicContact CE1-CB 4.47Å; Y291-P312 HydrophobicContact CE1-CG 3.6Å; Y291-P312 HydrophobicContact CE2-CG 4.12Å; Y291-P312 HydrophobicContact CG-CB 4.37Å; Y291-P312 HydrophobicContact CG-CG 4.06Å; Y291-I317 PolarHBondContact N-O 2.85Å; Y291-I318 HydrophobicContact CD1-CG2 4.31Å; Y291-W319 PolarHBondContact O-N 2.83Å; Y291-M320 HydrophobicContact CD1-CG 4.4Å; Y291-M320 HydrophobicContact CD1-SD 4.49Å; Y291-M320 HydrophobicContact CE1-CG 4.1Å; Y291-M320 HydrophobicContact CE1-SD 3.94Å
292T97.2Very high91.8Very high1 Ų166.7 Ų66.71%0.00632%0.318CS..EExtended strand (participates in β ladder)trans-150.6144.4173.1-171.10000113.3L294 V297 K298 F308 W319T292-L294 PolarHBondContact OG1-N 2.86Å; T292-L294 VanDerWaalsContact OG1-N 3.14Å; T292-V297 HydrophobicContact CG2-CB 3.96Å; T292-V297 HydrophobicContact CG2-CG1 3.97Å; T292-K298 HydrophobicContact CG2-CD 4.41Å; T292-K298 HydrophobicContact CG2-CG 3.61Å; T292-K298 WeakPolarHBondContact O-CE 3.39Å; T292-K298 PolarHBondContact O-NZ 2.83Å; T292-F308 HydrophobicContact CG2-CD1 4.29Å; T292-F308 HydrophobicContact CG2-CE1 3.89Å; T292-W319 WeakPolarHBondContact CA-O 3.46Å; T292-W319 WeakPolarHBondContact CB-O 3.31Å; T292-W319 PolarHBondContact OG1-O 3.09Å
293D93.8Very high93Very high57 Ų5765 Ų6531%0.30530%0.304SS..SBendtrans-89.6-6.217063.40.1000112.7M320 Y321D293-M320 VanDerWaalsContact OD1-CA 3.25Å; D293-M320 WeakPolarHBondContact OD1-CA 3.18Å; D293-Y321 PolarHBondContact OD1-N 2.94Å; D293-Y321 PolarHBondContact OD2-N 2.95Å
294L93Very high93.9Very high38 Ų3868.6 Ų68.620%0.19933%0.33CS..  trans-93.3115-178-76.2166.9000111.8T292 Q296 V297 K298 Y321T292-L294 PolarHBondContact OG1-N 2.86Å; T292-L294 VanDerWaalsContact OG1-N 3.14Å; L294-Q296 PolarHBondContact O-N 2.91Å; L294-V297 HydrophobicContact CB-CB 4.24Å; L294-V297 HydrophobicContact CB-CG2 3.77Å; L294-V297 HydrophobicContact CD1-CG2 4.19Å; L294-V297 PolarHBondContact O-N 2.79Å; L294-V297 VanDerWaalsContact O-N 3.15Å; L294-K298 PolarHBondContact O-N 3.08Å; L294-Y321 HydrophobicContact CD2-CD2 4.15Å; L294-Y321 HydrophobicContact CD2-CG 4.28Å
295N92Very high94.7Very high121 Ų12162.6 Ų62.665%0.64731%0.305SS*.Hα-helixtrans-59.2-34.9175.5-74.5-21.2000112.9V297 K298 Q299N295-V297 VanDerWaalsContact C-N 3.31Å; N295-V297 PolarHBondContact O-N 2.57Å; N295-K298 PolarHBondContact O-N 2.86Å; N295-Q299 WeakPolarHBondContact O-CB 3.44Å; N295-Q299 PolarHBondContact O-N 3.02Å
296Q92.1Very high95.2Very high54 Ų5458.1 Ų58.125%0.25229%0.289SS..Hα-helixtrans-61.6-40.9177.6-63.6-177.435.800111.4L294 Q299 Y300 E628 F638L294-Q296 PolarHBondContact O-N 2.91Å; Q296-Q299 PolarHBondContact O-N 3.33Å; Q296-Y300 WeakPolarHBondContact O-CB 3.38Å; Q296-Y300 WeakPolarHBondContact O-CD2 3.17Å; Q296-Y300 PolarHBondContact O-N 3.48Å; Q296-E628 VanDerWaalsContact OE1-N 3.11Å; Q296-F638 HydrophobicContact CB-CE2 4.09Å
297V95.3Very high95.7Very high0 Ų055.8 Ų55.80%028%0.283CS..Hα-helixtrans-65.2-45.5176.5-179.50000110T292 L294 N295 Q299 Y300 L301 F308 W319 F638 F642T292-V297 HydrophobicContact CG2-CB 3.96Å; T292-V297 HydrophobicContact CG2-CG1 3.97Å; L294-V297 HydrophobicContact CB-CB 4.24Å; L294-V297 HydrophobicContact CB-CG2 3.77Å; L294-V297 HydrophobicContact CD1-CG2 4.19Å; L294-V297 PolarHBondContact O-N 2.79Å; L294-V297 VanDerWaalsContact O-N 3.15Å; N295-V297 VanDerWaalsContact C-N 3.31Å; N295-V297 PolarHBondContact O-N 2.57Å; V297-Q299 PolarHBondContact O-N 2.76Å; V297-Y300 PolarHBondContact O-N 2.81Å; V297-L301 HydrophobicContact CG1-CB 4.18Å; V297-L301 HydrophobicContact CG1-CD2 4.2Å; V297-L301 VanDerWaalsContact O-CB 3.24Å; V297-L301 WeakPolarHBondContact O-CB 3.43Å; V297-L301 PolarHBondContact O-N 2.61Å; V297-F308 HydrophobicContact CG1-CE1 4.36Å; V297-W319 HydrophobicContact CG2-CG 4.48Å; V297-F638 HydrophobicContact CG2-CD1 4.16Å; V297-F638 HydrophobicContact CG2-CD2 4.5Å; V297-F638 HydrophobicContact CG2-CE1 3.7Å; V297-F638 HydrophobicContact CG2-CE2 4.04Å; V297-F638 HydrophobicContact CG2-CZ 3.63Å; V297-F642 HydrophobicContact CG1-CE2 4.25Å; V297-F642 HydrophobicContact CG1-CZ 4.01Å
298K95.1Very high95.9Very high106 Ų10652.9 Ų52.946%0.46127%0.274SS..Hα-helixtrans-56.8-35.9176.6-68.3-178.9-178.7172.30113.3T292 L294 N295 F308T292-K298 HydrophobicContact CG2-CD 4.41Å; T292-K298 HydrophobicContact CG2-CG 3.61Å; T292-K298 WeakPolarHBondContact O-CE 3.39Å; T292-K298 PolarHBondContact O-NZ 2.83Å; L294-K298 PolarHBondContact O-N 3.08Å; N295-K298 PolarHBondContact O-N 2.86Å; K298-F308 HydrophobicContact CB-CZ 4.49Å; K298-F308 HydrophobicContact CG-CE1 4.3Å; K298-F308 HydrophobicContact CG-CZ 4.48Å
299Q95.2Very high96Very high126 Ų12654.3 Ų54.359%0.58928%0.283SS*.Hα-helixtrans-81.5-37.7-177-177.7177.9-14.900113N295 Q296 V297N295-Q299 WeakPolarHBondContact O-CB 3.44Å; N295-Q299 PolarHBondContact O-N 3.02Å; Q296-Q299 PolarHBondContact O-N 3.33Å; V297-Q299 PolarHBondContact O-N 2.76Å
300Y96.6Very high95.8Very high47 Ų4760 Ų6018%0.18431%0.311CS..Hα-helixtrans-110.3-15.3-167.7-72.9-87.2000114.8Q296 V297 T302 C631 P635 N639Q296-Y300 WeakPolarHBondContact O-CB 3.38Å; Q296-Y300 WeakPolarHBondContact O-CD2 3.17Å; Q296-Y300 PolarHBondContact O-N 3.48Å; V297-Y300 PolarHBondContact O-N 2.81Å; Y300-T302 PolarHBondContact O-N 2.95Å; Y300-T302 VanDerWaalsContact O-N 3.15Å; Y300-C631 HydrophobicContact CD1-CB 3.81Å; Y300-C631 HydrophobicContact CD2-CB 3.64Å; Y300-C631 HydrophobicContact CE1-CB 3.81Å; Y300-C631 WeakPolarHBondContact CE1-O 3.21Å; Y300-C631 HydrophobicContact CE2-CB 3.66Å; Y300-C631 HydrophobicContact CG-CB 3.72Å; Y300-P635 HydrophobicContact CD1-CB 4.36Å; Y300-P635 HydrophobicContact CE1-CB 4.36Å; Y300-N639 PolarHBondContact O-OD1 3.07Å
301L97Very high95.7Very high8 Ų861.2 Ų61.24%0.04232%0.32CS..  trans-80.892.8167.6179.764.9000109V290 V297 F306 F308 F638 N639 F642V290-L301 HydrophobicContact CG1-CD2 4.4Å; V290-L301 HydrophobicContact CG2-CD2 4.22Å; V297-L301 HydrophobicContact CG1-CB 4.18Å; V297-L301 HydrophobicContact CG1-CD2 4.2Å; V297-L301 VanDerWaalsContact O-CB 3.24Å; V297-L301 WeakPolarHBondContact O-CB 3.43Å; V297-L301 PolarHBondContact O-N 2.61Å; L301-F306 HydrophobicContact CD1-CB 4.42Å; L301-F306 HydrophobicContact CD1-CD2 3.88Å; L301-F306 HydrophobicContact CD1-CE2 4.4Å; L301-F306 HydrophobicContact CD1-CG 4.2Å; L301-F306 HydrophobicContact CD2-CB 4.01Å; L301-F306 HydrophobicContact CD2-CG 4.25Å; L301-F306 HydrophobicContact CG-CB 4.19Å; L301-F306 HydrophobicContact CG-CG 4.45Å; L301-F308 HydrophobicContact CB-CZ 4.03Å; L301-F308 HydrophobicContact CD2-CE1 4.28Å; L301-F308 HydrophobicContact CD2-CZ 4.07Å; L301-F308 HydrophobicContact CG-CZ 4.37Å; L301-F638 HydrophobicContact CB-CB 4.25Å; L301-N639 WeakPolarHBondContact CA-OD1 3.3Å; L301-F642 HydrophobicContact CD1-CB 3.75Å; L301-F642 HydrophobicContact CD1-CD1 3.99Å; L301-F642 HydrophobicContact CD1-CD2 4.04Å; L301-F642 HydrophobicContact CD1-CG 3.66Å; L301-F642 HydrophobicContact CD2-CD1 3.54Å; L301-F642 HydrophobicContact CD2-CD2 4.28Å; L301-F642 HydrophobicContact CD2-CE1 3.43Å; L301-F642 VanDerWaalsContact CD2-CE1 3.43Å; L301-F642 HydrophobicContact CD2-CE2 4.19Å; L301-F642 HydrophobicContact CD2-CG 3.98Å; L301-F642 HydrophobicContact CD2-CZ 3.77Å; L301-F642 HydrophobicContact CG-CD1 4.43Å; L301-F642 HydrophobicContact CG-CG 4.46Å
302T96.1Very high95.4Very high99 Ų9960.7 Ų60.761%0.60732%0.324SS*.  trans-112.2-1.5-175.555.20000113.1Y300 S304 N639Y300-T302 PolarHBondContact O-N 2.95Å; Y300-T302 VanDerWaalsContact O-N 3.15Å; T302-S304 PolarHBondContact O-N 2.85Å; T302-N639 PolarHBondContact N-OD1 3.42Å; T302-N639 PolarHBondContact OG1-ND2 3.3Å
303H95Very high95.2Very high41 Ų4167.1 Ų67.119%0.1936%0.358CS..  trans-62.4130.5-179.5-172.7-42.5000111.2Q305 F306 N639 S643H303-Q305 PolarHBondContact CE1-OE1 3.06Å; H303-Q305 PolarHBondContact ND1-N 3.02Å; H303-Q305 PolarHBondContact O-N 2.72Å; H303-F306 HydrophobicContact CB-CD2 3.88Å; H303-F306 HydrophobicContact CB-CE2 4.24Å; H303-F306 PolarHBondContact O-N 3.45Å; H303-N639 HydrophobicContact CB-CB 4.17Å; H303-N639 WeakPolarHBondContact CB-OD1 3.41Å; H303-N639 PolarHBondContact N-OD1 3.45Å; H303-S643 PolarHBondContact CD2-OG 2.81Å
304S95.2Very high95.2Very high97 Ų9771.4 Ų71.468%0.67837%0.374SS*.THydrogen-bonded Turntrans-62.1-9.6-171.357.30000116.5T302T302-S304 PolarHBondContact O-N 2.85Å
305Q95.8Very high95.3Very high42 Ų4269.8 Ų69.820%0.19637%0.365CS..THydrogen-bonded Turntrans-91.6-3.8178.9-70.3-177.8-102.400111.7E286 Y287 F288 H303 L647E286-Q305 WeakPolarHBondContact O-CG 3.34Å; E286-Q305 PolarHBondContact O-NE2 3.47Å; Y287-Q305 CarbonylContact C-O 3.55Å; Y287-Q305 WeakPolarHBondContact CA-O 3.36Å; Y287-Q305 HydrophobicContact CE1-CG 4.48Å; F288-Q305 PolarHBondContact N-O 2.64Å; H303-Q305 PolarHBondContact CE1-OE1 3.06Å; H303-Q305 PolarHBondContact ND1-N 3.02Å; H303-Q305 PolarHBondContact O-N 2.72Å; Q305-L647 HydrophobicContact CB-CD1 4.15Å; Q305-L647 HydrophobicContact CB-CD2 4.37Å
306F97.3Very high95.5Very high17 Ų1765 Ų658%0.07534%0.34CS..EExtended strand (participates in β ladder)trans-117.8135179.4-57.2-80000110.4F288 V290 L301 H303 I317 F642 F646 L647F288-F306 HydrophobicContact CB-CD1 3.77Å; F288-F306 HydrophobicContact CB-CE1 3.96Å; F288-F306 HydrophobicContact CD2-CE1 4.13Å; F288-F306 HydrophobicContact CG-CE1 4.29Å; F288-F306 WeakPolarHBondContact O-CA 3.5Å; V290-F306 HydrophobicContact CG2-CB 4.02Å; V290-F306 HydrophobicContact CG2-CD1 3.84Å; V290-F306 HydrophobicContact CG2-CG 4.36Å; L301-F306 HydrophobicContact CD1-CB 4.42Å; L301-F306 HydrophobicContact CD1-CD2 3.88Å; L301-F306 HydrophobicContact CD1-CE2 4.4Å; L301-F306 HydrophobicContact CD1-CG 4.2Å; L301-F306 HydrophobicContact CD2-CB 4.01Å; L301-F306 HydrophobicContact CD2-CG 4.25Å; L301-F306 HydrophobicContact CG-CB 4.19Å; L301-F306 HydrophobicContact CG-CG 4.45Å; H303-F306 HydrophobicContact CB-CD2 3.88Å; H303-F306 HydrophobicContact CB-CE2 4.24Å; H303-F306 PolarHBondContact O-N 3.45Å; F306-I317 HydrophobicContact CD1-CD1 4.09Å; F306-I317 HydrophobicContact CE1-CD1 3.8Å; F306-F642 AromaticContact CD1-CD1 3.95Å; F306-F642 HydrophobicContact CD1-CD1 3.95Å; F306-F642 HydrophobicContact CD2-CB 4.44Å; F306-F642 HydrophobicContact CE1-CB 4.17Å; F306-F642 AromaticContact CE1-CD1 3.84Å; F306-F642 HydrophobicContact CE1-CD1 3.84Å; F306-F642 HydrophobicContact CE2-CB 3.79Å; F306-F642 HydrophobicContact CG-CD1 4.41Å; F306-F642 HydrophobicContact CZ-CB 3.63Å; F306-F642 HydrophobicContact CZ-CD1 4.19Å; F306-F642 HydrophobicContact CZ-CG 4.44Å; F306-F646 HydrophobicContact CE1-CB 4.24Å; F306-F646 HydrophobicContact CE1-CD2 4.37Å; F306-F646 HydrophobicContact CZ-CB 4.42Å; F306-L647 HydrophobicContact CE1-CD2 4.46Å; F306-L647 HydrophobicContact CE2-CD1 3.75Å; F306-L647 HydrophobicContact CE2-CG 4.17Å; F306-L647 HydrophobicContact CZ-CD1 3.81Å; F306-L647 HydrophobicContact CZ-CD2 3.93Å; F306-L647 HydrophobicContact CZ-CG 3.68Å
307T97.9Very high95.8Very high86 Ų8662.4 Ų62.453%0.52833%0.328SS..EExtended strand (participates in β ladder)trans-134.1136.1177.1-60.60000110.1F288 T289 V290F288-T307 PolarHBondContact O-N 3.25Å; T289-T307 CarbonylContact C-O 3.29Å; T289-T307 VanDerWaalsContact CA-O 3.24Å; T289-T307 WeakPolarHBondContact CA-O 3.43Å; V290-T307 PolarHBondContact N-O 3.05Å
308F98.2Very high95.9Very high76 Ų7662.9 Ų62.933%0.33333%0.33SS..EExtended strand (participates in β ladder)trans-78.7147.1-176.9-67.6-70.1000113.4V290 T292 V297 K298 L301V290-F308 HydrophobicContact CB-CD1 4.08Å; V290-F308 HydrophobicContact CB-CE1 4.21Å; V290-F308 HydrophobicContact CG1-CD1 4.3Å; V290-F308 HydrophobicContact CG1-CE1 4.08Å; V290-F308 CarbonylContact O-C 3.53Å; V290-F308 VanDerWaalsContact O-CA 3.29Å; V290-F308 WeakPolarHBondContact O-CA 3.44Å; T292-F308 HydrophobicContact CG2-CD1 4.29Å; T292-F308 HydrophobicContact CG2-CE1 3.89Å; V297-F308 HydrophobicContact CG1-CE1 4.36Å; K298-F308 HydrophobicContact CB-CZ 4.49Å; K298-F308 HydrophobicContact CG-CE1 4.3Å; K298-F308 HydrophobicContact CG-CZ 4.48Å; L301-F308 HydrophobicContact CB-CZ 4.03Å; L301-F308 HydrophobicContact CD2-CE1 4.28Å; L301-F308 HydrophobicContact CD2-CZ 4.07Å; L301-F308 HydrophobicContact CG-CZ 4.37Å
309V98Very high96Very high33 Ų3358.2 Ų58.220%0.231%0.31CS..  trans-129.7155.7171.5-64.50000110.8T289 V290 K314 A315T289-V309 HydrophobicContact CG2-CG1 4.01Å; V290-V309 PolarHBondContact O-N 3.49Å; V309-K314 HydrophobicContact CB-CB 4.31Å; V309-K314 HydrophobicContact CG2-CB 4.26Å; V309-A315 HydrophobicContact CG2-CB 3.69Å
310D95.1Very high95.9Very high157 Ų15753.2 Ų53.284%0.8429%0.287SS*.SBendtrans-86.1-7.8-171.6-57.2-46.5000114.8
311S94.7Very high95.7Very high27 Ų2757.1 Ų57.119%0.18930%0.302CS..SBendtrans-139.7140.8-17762.10000112.4D313 K314S311-D313 VanDerWaalsContact C-N 3.25Å; S311-D313 PolarHBondContact O-N 3.09Å; S311-K314 PolarHBondContact O-N 3.43Å; S311-K314 VanDerWaalsContact O-N 3.13Å; S311-K314 VanDerWaalsContact OG-CD 3.3Å; S311-K314 WeakPolarHBondContact OG-CD 3.49Å; S311-K314 VanDerWaalsContact OG-CG 3.28Å; S311-K314 WeakPolarHBondContact OG-CG 3.45Å
312P93.4Very high95.3Very high42 Ų4260.5 Ų60.527%0.27332%0.323SS..G310 helixtrans-54.6-38.4177.1-22.129.4000113.7Y291 K314 A315 I318Y291-P312 HydrophobicContact CD1-CB 4.15Å; Y291-P312 HydrophobicContact CD1-CG 3.73Å; Y291-P312 HydrophobicContact CD2-CG 4.26Å; Y291-P312 HydrophobicContact CE1-CB 4.47Å; Y291-P312 HydrophobicContact CE1-CG 3.6Å; Y291-P312 HydrophobicContact CE2-CG 4.12Å; Y291-P312 HydrophobicContact CG-CB 4.37Å; Y291-P312 HydrophobicContact CG-CG 4.06Å; P312-K314 PolarHBondContact O-N 3.43Å; P312-K314 VanDerWaalsContact O-N 3.09Å; P312-A315 WeakPolarHBondContact O-CB 3.22Å; P312-A315 PolarHBondContact O-N 2.89Å; P312-I318 HydrophobicContact CB-CD1 3.96Å; P312-I318 HydrophobicContact CB-CG1 4.22Å
313D92Very high95Very high135 Ų13559.4 Ų59.472%0.72231%0.311SS*.G310 helixtrans-65.2-15.6-177.4-54.7-33000114.1S311S311-D313 VanDerWaalsContact C-N 3.25Å; S311-D313 PolarHBondContact O-N 3.09Å
314K93.5Very high94.9Very high148 Ų14859.4 Ų59.464%0.64331%0.31SS*.G310 helixtrans-101.7-1.5178.1-66.3177.4-170.3170.70112.7T289 V309 S311 P312T289-K314 PolarHBondContact OG1-O 3.29Å; V309-K314 HydrophobicContact CB-CB 4.31Å; V309-K314 HydrophobicContact CG2-CB 4.26Å; S311-K314 PolarHBondContact O-N 3.43Å; S311-K314 VanDerWaalsContact O-N 3.13Å; S311-K314 VanDerWaalsContact OG-CD 3.3Å; S311-K314 WeakPolarHBondContact OG-CD 3.49Å; S311-K314 VanDerWaalsContact OG-CG 3.28Å; S311-K314 WeakPolarHBondContact OG-CG 3.45Å; P312-K314 PolarHBondContact O-N 3.43Å; P312-K314 VanDerWaalsContact O-N 3.09Å
315A96.3Very high94.7Very high3 Ų358.9 Ų58.93%0.02530%0.296CS..  trans-97.6140.8-171.100000112.1V309 P312 I318 T337V309-A315 HydrophobicContact CG2-CB 3.69Å; P312-A315 WeakPolarHBondContact O-CB 3.22Å; P312-A315 PolarHBondContact O-N 2.89Å; A315-I318 HydrophobicContact CB-CG1 4.29Å; A315-T337 VanDerWaalsContact O-CG2 3.29Å; A315-T337 WeakPolarHBondContact O-CG2 3.3Å; A315-T337 PolarHBondContact O-OG1 2.88Å
316D95.7Very high94.7Very high21 Ų2159 Ų5911%0.11230%0.298CS..SBendtrans-80.5-24.4166.2-56.1-57.2000111.3R285 F288 T289 T337 Y338R285-D316 IonicContact CZ-OD1 3.37Å; R285-D316 IonicContact NE-OD1 3.28Å; R285-D316 VanDerWaalsContact NH1-CG 3.33Å; R285-D316 IonicContact NH1-OD1 3.74Å; R285-D316 PolarHBondContact NH1-OD1 2.89Å; R285-D316 IonicContact NH1-OD2 3.78Å; R285-D316 PolarHBondContact NH1-OD2 2.7Å; R285-D316 IonicContact NH2-OD1 3.52Å; R285-D316 PolarHBondContact NH2-OD1 2.9Å; F288-D316 HydrophobicContact CB-CB 4.43Å; F288-D316 HydrophobicContact CD1-CB 3.75Å; T289-D316 PolarHBondContact N-OD2 2.97Å; T289-D316 WeakPolarHBondContact O-CA 3.47Å; T289-D316 PolarHBondContact O-N 3.42Å; T289-D316 PolarHBondContact OG1-N 3.23Å; T289-D316 PolarHBondContact OG1-OD2 2.86Å; D316-T337 WeakPolarHBondContact O-CA 3.28Å; D316-Y338 PolarHBondContact O-N 3.4Å
317I97.5Very high94.6Very high0 Ų058.1 Ų58.10%029%0.294CS..EExtended strand (participates in β ladder)trans-131.6121.2176.2-58166.6000109.2F288 T289 V290 Y291 F306 Y338 F642 F646F288-I317 HydrophobicContact CB-CD1 3.74Å; F288-I317 HydrophobicContact CB-CG1 4.36Å; F288-I317 HydrophobicContact CD1-CD1 3.84Å; F288-I317 HydrophobicContact CD1-CG1 3.94Å; F288-I317 HydrophobicContact CG-CD1 3.85Å; F288-I317 HydrophobicContact CG-CG1 4.41Å; T289-I317 PolarHBondContact O-N 3.14Å; V290-I317 WeakPolarHBondContact CA-O 3.41Å; V290-I317 HydrophobicContact CG2-CB 4.3Å; V290-I317 HydrophobicContact CG2-CD1 4.25Å; Y291-I317 PolarHBondContact N-O 2.85Å; F306-I317 HydrophobicContact CD1-CD1 4.09Å; F306-I317 HydrophobicContact CE1-CD1 3.8Å; I317-Y338 HydrophobicContact CG1-CD2 4.32Å; I317-F642 HydrophobicContact CD1-CD1 4.37Å; I317-F642 HydrophobicContact CD1-CE1 4.46Å; I317-F642 HydrophobicContact CG2-CE1 4.22Å; I317-F646 HydrophobicContact CD1-CB 4.03Å; I317-F646 HydrophobicContact CD1-CD1 3.74Å; I317-F646 HydrophobicContact CD1-CD2 3.62Å; I317-F646 HydrophobicContact CD1-CE1 4.06Å; I317-F646 HydrophobicContact CD1-CE2 3.96Å; I317-F646 HydrophobicContact CD1-CG 3.51Å; I317-F646 HydrophobicContact CD1-CZ 4.17Å; I317-F646 HydrophobicContact CG1-CD1 4.04Å; I317-F646 HydrophobicContact CG1-CE1 4.05Å; I317-F646 HydrophobicContact CG1-CG 4.32Å; I317-F646 HydrophobicContact CG1-CZ 4.37Å; I317-F646 HydrophobicContact CG2-CE1 3.99Å; I317-F646 HydrophobicContact CG2-CE2 4.07Å; I317-F646 HydrophobicContact CG2-CZ 3.63Å
318I97.6Very high94.5Very high10 Ų1057.6 Ų57.65%0.05129%0.286CS..EExtended strand (participates in β ladder)trans-99.6110.8171.5-62.9170.6000107.9Y291 P312 A315 M320 L330 T337 Y338 I339 N340Y291-I318 HydrophobicContact CD1-CG2 4.31Å; P312-I318 HydrophobicContact CB-CD1 3.96Å; P312-I318 HydrophobicContact CB-CG1 4.22Å; A315-I318 HydrophobicContact CB-CG1 4.29Å; I318-M320 HydrophobicContact CG2-CE 3.7Å; I318-M320 HydrophobicContact CG2-CG 3.68Å; I318-M320 HydrophobicContact CG2-SD 3.69Å; I318-L330 HydrophobicContact CD1-CD1 4.11Å; I318-T337 HydrophobicContact CD1-CG2 3.71Å; I318-T337 HydrophobicContact CG1-CG2 3.81Å; I318-Y338 PolarHBondContact N-O 2.87Å; I318-I339 HydrophobicContact CG2-CG1 4.47Å; I318-I339 WeakPolarHBondContact O-CA 3.38Å; I318-N340 PolarHBondContact O-N 2.86Å; I318-N340 PolarHBondContact O-OD1 3.3Å
319W97.5Very high94.3Very high7 Ų761 Ų613%0.02730%0.296CS..EExtended strand (participates in β ladder)trans-114.4102.7178.4-170.6-72.3000110.4Y291 T292 V297 N340 L592 F638 I641 F642 L645 F646Y291-W319 PolarHBondContact O-N 2.83Å; T292-W319 WeakPolarHBondContact CA-O 3.46Å; T292-W319 WeakPolarHBondContact CB-O 3.31Å; T292-W319 PolarHBondContact OG1-O 3.09Å; V297-W319 HydrophobicContact CG2-CG 4.48Å; W319-N340 HydrophobicContact CB-CB 4.4Å; W319-N340 HydrophobicContact CD2-CB 3.61Å; W319-N340 HydrophobicContact CE3-CB 3.48Å; W319-N340 VanDerWaalsContact CE3-CB 3.48Å; W319-N340 HydrophobicContact CG-CB 4.05Å; W319-N340 HydrophobicContact CH2-CB 4.44Å; W319-N340 HydrophobicContact CZ3-CB 3.92Å; W319-L592 HydrophobicContact CH2-CB 3.94Å; W319-L592 HydrophobicContact CZ2-CB 4.25Å; W319-F638 HydrophobicContact CZ2-CE1 4.19Å; W319-I641 HydrophobicContact CH2-CG2 3.89Å; W319-I641 HydrophobicContact CZ3-CG2 4.36Å; W319-F642 HydrophobicContact CB-CZ 4.28Å; W319-F642 AromaticContact CD2-CE2 3.93Å; W319-F642 HydrophobicContact CD2-CE2 3.93Å; W319-F642 AromaticContact CD2-CZ 3.71Å; W319-F642 HydrophobicContact CD2-CZ 3.71Å; W319-F642 HydrophobicContact CE3-CE1 4.27Å; W319-F642 AromaticContact CE3-CE2 3.6Å; W319-F642 HydrophobicContact CE3-CE2 3.6Å; W319-F642 AromaticContact CE3-CZ 3.41Å; W319-F642 HydrophobicContact CE3-CZ 3.41Å; W319-F642 VanDerWaalsContact CE3-CZ 3.41Å; W319-F642 HydrophobicContact CG-CZ 4.09Å; W319-F642 HydrophobicContact CH2-CE2 4.2Å; W319-F642 HydrophobicContact CZ2-CE2 4.48Å; W319-F642 HydrophobicContact CZ3-CD2 4.42Å; W319-F642 AromaticContact CZ3-CE2 3.76Å; W319-F642 HydrophobicContact CZ3-CE2 3.76Å; W319-F642 HydrophobicContact CZ3-CZ 4.02Å; W319-L645 HydrophobicContact CH2-CD1 4.17Å; W319-L645 HydrophobicContact CZ3-CD1 3.9Å; W319-F646 HydrophobicContact CE3-CE2 4.4Å; W319-F646 HydrophobicContact CE3-CZ 4.38Å; W319-F646 HydrophobicContact CZ3-CE2 4.25Å; W319-F646 HydrophobicContact CZ3-CZ 4.32Å
320M94.5Very high94.1Very high22 Ų2260.1 Ų60.111%0.10829%0.29CS..  trans-123.5146.5-173.6-61.1-172.9-53.400112.9Y291 D293 I318 F324 N340 S624Y291-M320 HydrophobicContact CD1-CG 4.4Å; Y291-M320 HydrophobicContact CD1-SD 4.49Å; Y291-M320 HydrophobicContact CE1-CG 4.1Å; Y291-M320 HydrophobicContact CE1-SD 3.94Å; D293-M320 VanDerWaalsContact OD1-CA 3.25Å; D293-M320 WeakPolarHBondContact OD1-CA 3.18Å; I318-M320 HydrophobicContact CG2-CE 3.7Å; I318-M320 HydrophobicContact CG2-CG 3.68Å; I318-M320 HydrophobicContact CG2-SD 3.69Å; M320-F324 HydrophobicContact CE-CB 4.45Å; M320-F324 HydrophobicContact CE-CD2 3.74Å; M320-N340 VanDerWaalsContact N-CG 3.34Å; M320-N340 PolarHBondContact N-ND2 3.16Å; M320-N340 PolarHBondContact N-OD1 2.92Å; M320-N340 PolarHBondContact O-ND2 3.25Å; M320-N340 PolarHBondContact O-OD1 3.39Å; M320-S624 PolarHBondContact O-OG 2.97Å
321Y91.1Very high93.9Very high129 Ų12952.8 Ų52.851%0.50625%0.252SS..SBendtrans-76.5-32168.3-178.5-99.4000112D293 L294 F623D293-Y321 PolarHBondContact OD1-N 2.94Å; D293-Y321 PolarHBondContact OD2-N 2.95Å; L294-Y321 HydrophobicContact CD2-CD2 4.15Å; L294-Y321 HydrophobicContact CD2-CG 4.28Å; Y321-F623 WeakPolarHBondContact O-CE1 3.4Å; Y321-F623 WeakPolarHBondContact O-CZ 3.43Å
322T89Confident93.8Very high79 Ų7955.9 Ų55.949%0.48527%0.265SS..SBendtrans-73.9139.3-178.850.50000111.7F324 Q341T322-F324 PolarHBondContact O-N 2.84Å; T322-Q341 PolarHBondContact O-NE2 3.21Å
323H88.9Confident93.7Very high76 Ų7658.4 Ų58.435%0.35228%0.276SS..PPolyproline II helixtrans-65.9125-179.5-179.457.4000111.1E272 Q341E272-H323 IonicContact OE1-CE1 2.85Å; E272-H323 PolarHBondContact OE1-CE1 3.48Å; E272-H323 IonicContact OE1-NE2 3.73Å; E272-H323 PolarHBondContact OE1-NE2 3.28Å; H323-Q341 PolarHBondContact ND1-OE1 2.95Å
324F93.1Very high93.7Very high40 Ų4053.3 Ų53.318%0.17525%0.251CS..PPolyproline II helixtrans-93.5132.6-177.3-173.8-95.9000111.2M320 T322 D326 F327 L330 I339M320-F324 HydrophobicContact CE-CB 4.45Å; M320-F324 HydrophobicContact CE-CD2 3.74Å; T322-F324 PolarHBondContact O-N 2.84Å; F324-D326 VanDerWaalsContact CE1-O 3.24Å; F324-D326 WeakPolarHBondContact CE1-O 3.48Å; F324-D326 WeakPolarHBondContact CZ-O 3.47Å; F324-F327 AromaticContact CD1-CD1 3.86Å; F324-F327 HydrophobicContact CD1-CD1 3.86Å; F324-F327 HydrophobicContact CD1-CD2 4.14Å; F324-F327 AromaticContact CD1-CE1 3.75Å; F324-F327 HydrophobicContact CD1-CE1 3.75Å; F324-F327 HydrophobicContact CD1-CE2 4.03Å; F324-F327 HydrophobicContact CD1-CG 4.06Å; F324-F327 AromaticContact CD1-CZ 3.84Å; F324-F327 HydrophobicContact CD1-CZ 3.84Å; F324-F327 HydrophobicContact CE1-CB 4.48Å; F324-F327 AromaticContact CE1-CD1 3.94Å; F324-F327 HydrophobicContact CE1-CD1 3.94Å; F324-F327 HydrophobicContact CE1-CD2 4.41Å; F324-F327 HydrophobicContact CE1-CE1 4.3Å; F324-F327 HydrophobicContact CE1-CG 4.01Å; F324-F327 WeakPolarHBondContact O-CE2 3.22Å; F324-L330 HydrophobicContact CE1-CB 4.2Å; F324-L330 HydrophobicContact CE1-CD2 4.2Å; F324-L330 HydrophobicContact CZ-CB 3.97Å; F324-L330 HydrophobicContact CZ-CD2 4.3Å; F324-I339 HydrophobicContact CB-CD1 3.58Å; F324-I339 HydrophobicContact CD1-CD1 3.36Å; F324-I339 HydrophobicContact CD2-CD1 3.53Å; F324-I339 HydrophobicContact CE1-CD1 3.82Å; F324-I339 HydrophobicContact CE2-CD1 3.99Å; F324-I339 HydrophobicContact CG-CD1 3.18Å; F324-I339 HydrophobicContact CZ-CD1 4.12Å
325K92.7Very high93.5Very high86 Ų8647.8 Ų47.837%0.37423%0.23SC..  trans-118.9-22.6-170.4-63.7179.6179175.30115.5V270 E272 K273V270-K325 HydrophobicContact CB-CD 4.38Å; V270-K325 HydrophobicContact CG1-CD 3.82Å; E272-K325 CarbonylContact C-O 3.51Å; E272-K325 WeakPolarHBondContact CA-O 3.38Å; K273-K325 PolarHBondContact N-O 3.39Å
326D95.2Very high93.1Very high44 Ų4451.8 Ų51.824%0.23525%0.251CS..BIsolated β-bridgetrans-10867.2-170.2-157-28.8000111.5K273 F324 E328 R329 L330K273-D326 WeakPolarHBondContact CD-OD1 3.39Å; K273-D326 IonicContact NZ-OD1 3.05Å; K273-D326 IonicContact NZ-OD2 3.26Å; K273-D326 PolarHBondContact NZ-OD2 2.97Å; F324-D326 VanDerWaalsContact CE1-O 3.24Å; F324-D326 WeakPolarHBondContact CE1-O 3.48Å; F324-D326 WeakPolarHBondContact CZ-O 3.47Å; D326-E328 VanDerWaalsContact C-N 3.28Å; D326-R329 HydrophobicContact CB-CB 4.36Å; D326-R329 PolarHBondContact O-N 3.39Å; D326-R329 WeakPolarHBondContact OD1-CB 3.24Å; D326-R329 PolarHBondContact OD1-N 3.48Å; D326-L330 PolarHBondContact O-N 3.3Å
327F95Very high93Very high0 Ų051.4 Ų51.40%025%0.25CC..Hα-helixtrans-69.7-27.3178.4-60.6-91.3000112.3E272 K273 P275 F324 L330 S331 I339 Q341 P343E272-F327 HydrophobicContact CB-CD2 4.48Å; E272-F327 HydrophobicContact CG-CE2 4.39Å; K273-F327 WeakPolarHBondContact O-CA 3.48Å; K273-F327 VanDerWaalsContact O-CB 3.27Å; K273-F327 WeakPolarHBondContact O-CB 3.44Å; K273-F327 PolarHBondContact O-N 2.84Å; P275-F327 HydrophobicContact CB-CB 4.27Å; P275-F327 HydrophobicContact CG-CB 4.43Å; F324-F327 AromaticContact CD1-CD1 3.86Å; F324-F327 HydrophobicContact CD1-CD1 3.86Å; F324-F327 HydrophobicContact CD1-CD2 4.14Å; F324-F327 AromaticContact CD1-CE1 3.75Å; F324-F327 HydrophobicContact CD1-CE1 3.75Å; F324-F327 HydrophobicContact CD1-CE2 4.03Å; F324-F327 HydrophobicContact CD1-CG 4.06Å; F324-F327 AromaticContact CD1-CZ 3.84Å; F324-F327 HydrophobicContact CD1-CZ 3.84Å; F324-F327 HydrophobicContact CE1-CB 4.48Å; F324-F327 AromaticContact CE1-CD1 3.94Å; F324-F327 HydrophobicContact CE1-CD1 3.94Å; F324-F327 HydrophobicContact CE1-CD2 4.41Å; F324-F327 HydrophobicContact CE1-CE1 4.3Å; F324-F327 HydrophobicContact CE1-CG 4.01Å; F324-F327 WeakPolarHBondContact O-CE2 3.22Å; F327-L330 PolarHBondContact O-N 3.26Å; F327-S331 WeakPolarHBondContact O-CB 3.38Å; F327-S331 PolarHBondContact O-N 2.48Å; F327-S331 PolarHBondContact O-OG 2.9Å; F327-I339 HydrophobicContact CD1-CG2 4.5Å; F327-I339 HydrophobicContact CE1-CG2 4.16Å; F327-Q341 HydrophobicContact CZ-CB 4.44Å; F327-P343 HydrophobicContact CB-CG 4.32Å; F327-P343 HydrophobicContact CD1-CG 3.77Å; F327-P343 HydrophobicContact CD2-CB 3.84Å; F327-P343 HydrophobicContact CD2-CG 3.88Å; F327-P343 HydrophobicContact CE1-CG 3.93Å; F327-P343 HydrophobicContact CE2-CB 3.84Å; F327-P343 HydrophobicContact CE2-CG 4.05Å; F327-P343 HydrophobicContact CG-CB 4.22Å; F327-P343 HydrophobicContact CG-CG 3.74Å; F327-P343 HydrophobicContact CZ-CB 4.21Å; F327-P343 HydrophobicContact CZ-CG 4.07Å
328E95.4Very high92.9Very high75 Ų7551.7 Ų51.735%0.3525%0.251SS..Hα-helixtrans-54.3-57.7169.9-178.9173-121.400110.7K273 L274 I276 D326 L330 S331 I332K273-E328 HydrophobicContact CB-CB 3.8Å; K273-E328 HydrophobicContact CD-CB 4.46Å; K273-E328 PolarHBondContact O-N 2.94Å; K273-E328 VanDerWaalsContact O-N 3.16Å; L274-E328 WeakPolarHBondContact O-CA 3.35Å; L274-E328 WeakPolarHBondContact O-CB 3.26Å; L274-E328 PolarHBondContact O-N 2.78Å; I276-E328 HydrophobicContact CD1-CG 4.08Å; I276-E328 HydrophobicContact CG1-CG 4.09Å; D326-E328 VanDerWaalsContact C-N 3.28Å; E328-L330 VanDerWaalsContact C-N 3.33Å; E328-L330 PolarHBondContact O-N 3.44Å; E328-S331 PolarHBondContact O-N 2.84Å; E328-S331 VanDerWaalsContact O-N 3.1Å; E328-S331 PolarHBondContact O-OG 3.48Å; E328-I332 HydrophobicContact CG-CD1 4.05Å; E328-I332 WeakPolarHBondContact O-CG1 3.31Å; E328-I332 PolarHBondContact O-N 2.97Å
329R94.4Very high92.8Very high148 Ų14851.2 Ų51.256%0.55825%0.248SC*.Hα-helixtrans-61-41.9-178.8-176.5176.5174.2-164-6.7112.3D326 S331 I332 D333D326-R329 HydrophobicContact CB-CB 4.36Å; D326-R329 PolarHBondContact O-N 3.39Å; D326-R329 WeakPolarHBondContact OD1-CB 3.24Å; D326-R329 PolarHBondContact OD1-N 3.48Å; R329-S331 PolarHBondContact O-N 3.41Å; R329-I332 PolarHBondContact O-N 2.84Å; R329-I332 VanDerWaalsContact O-N 3.13Å; R329-D333 WeakPolarHBondContact CG-OD2 3.29Å; R329-D333 IonicContact CZ-OD2 3.01Å; R329-D333 IonicContact NE-OD2 3.66Å; R329-D333 PolarHBondContact NE-OD2 2.92Å; R329-D333 IonicContact NH2-OD2 2.82Å; R329-D333 WeakPolarHBondContact O-CB 3.42Å; R329-D333 PolarHBondContact O-N 3.43Å
330L93Very high92.8Very high13 Ų1351 Ų517%0.06825%0.248CC..Hα-helixtrans-58.9-39.1176.8-175.566.3000111.9I318 F324 D326 F327 E328 I332 S334 T337 I339 Q588I318-L330 HydrophobicContact CD1-CD1 4.11Å; F324-L330 HydrophobicContact CE1-CB 4.2Å; F324-L330 HydrophobicContact CE1-CD2 4.2Å; F324-L330 HydrophobicContact CZ-CB 3.97Å; F324-L330 HydrophobicContact CZ-CD2 4.3Å; D326-L330 PolarHBondContact O-N 3.3Å; F327-L330 PolarHBondContact O-N 3.26Å; E328-L330 VanDerWaalsContact C-N 3.33Å; E328-L330 PolarHBondContact O-N 3.44Å; L330-I332 VanDerWaalsContact C-N 3.3Å; L330-I332 PolarHBondContact O-N 3.04Å; L330-S334 CarbonylContact O-C 3.53Å; L330-S334 PolarHBondContact O-N 3.4Å; L330-S334 VanDerWaalsContact O-N 3.12Å; L330-T337 HydrophobicContact CD1-CG2 4.41Å; L330-I339 HydrophobicContact CD2-CB 3.92Å; L330-I339 HydrophobicContact CD2-CD1 4.24Å; L330-I339 HydrophobicContact CD2-CG2 3.73Å; L330-Q588 PolarHBondContact O-NE2 2.81Å
331S92.1Very high92.9Very high4 Ų450 Ų503%0.02824%0.243CC..Hα-helixtrans-69.8-25178.7740000113.7I276 Q278 F327 E328 R329 Q588I276-S331 PolarHBondContact N-OG 3.16Å; Q278-S331 PolarHBondContact NE2-O 2.77Å; F327-S331 WeakPolarHBondContact O-CB 3.38Å; F327-S331 PolarHBondContact O-N 2.48Å; F327-S331 PolarHBondContact O-OG 2.9Å; E328-S331 PolarHBondContact O-N 2.84Å; E328-S331 VanDerWaalsContact O-N 3.1Å; E328-S331 PolarHBondContact O-OG 3.48Å; R329-S331 PolarHBondContact O-N 3.41Å; S331-Q588 VanDerWaalsContact CA-OE1 3.3Å
332I92.3Very high93.2Very high91 Ų9143.8 Ų43.847%0.46722%0.219SC..Hα-helixtrans-88.7-53.7178.8-61.4167.3000110.8I276 E328 R329 L330I276-I332 HydrophobicContact CD1-CD1 3.69Å; I276-I332 HydrophobicContact CD1-CG1 3.93Å; E328-I332 HydrophobicContact CG-CD1 4.05Å; E328-I332 WeakPolarHBondContact O-CG1 3.31Å; E328-I332 PolarHBondContact O-N 2.97Å; R329-I332 PolarHBondContact O-N 2.84Å; R329-I332 VanDerWaalsContact O-N 3.13Å; L330-I332 VanDerWaalsContact C-N 3.3Å; L330-I332 PolarHBondContact O-N 3.04Å
333D92Very high93.5Very high95 Ų9540 Ų4051%0.50820%0.196SC..Hα-helixtrans-76.5-37.6-169.3-68.1-7.3000111.4R329R329-D333 WeakPolarHBondContact CG-OD2 3.29Å; R329-D333 IonicContact CZ-OD2 3.01Å; R329-D333 IonicContact NE-OD2 3.66Å; R329-D333 PolarHBondContact NE-OD2 2.92Å; R329-D333 IonicContact NH2-OD2 2.82Å; R329-D333 WeakPolarHBondContact O-CB 3.42Å; R329-D333 PolarHBondContact O-N 3.43Å
334S90.6Very high93.8Very high28 Ų2836.4 Ų36.420%0.19618%0.179CC..  trans-13962.9-172.2-60.10000112.2L330 N336 T337 Q588L330-S334 CarbonylContact O-C 3.53Å; L330-S334 PolarHBondContact O-N 3.4Å; L330-S334 VanDerWaalsContact O-N 3.12Å; S334-N336 PolarHBondContact O-N 3.36Å; S334-T337 WeakPolarHBondContact O-CB 3.4Å; S334-T337 PolarHBondContact O-N 3.42Å; S334-T337 VanDerWaalsContact O-N 3.08Å; S334-Q588 PolarHBondContact O-NE2 3.3Å
335P89.1Confident93.9Very high33 Ų3334.6 Ų34.621%0.21417%0.171CC..THydrogen-bonded Turntrans-63-17.1-172.825.1-35.9000114.8Q278 N280Q278-P335 VanDerWaalsContact OE1-CB 3.3Å; N280-P335 PolarHBondContact ND2-O 2.79Å
336N89.5Confident93.9Very high87 Ų8731.7 Ų31.747%0.46516%0.158SC..THydrogen-bonded Turntrans-104.118.8-179.7-65.5-53.6000113.5I283 S334I283-N336 WeakPolarHBondContact CD1-O 3.5Å; I283-N336 HydrophobicContact CG1-CB 4.44Å; S334-N336 PolarHBondContact O-N 3.36Å
337T93.3Very high93.9Very high13 Ų1329.6 Ų29.68%0.0815%0.146CC..  trans-108.1138177.5-65.10000110.3A315 D316 I318 L330 S334 Q588A315-T337 VanDerWaalsContact O-CG2 3.29Å; A315-T337 WeakPolarHBondContact O-CG2 3.3Å; A315-T337 PolarHBondContact O-OG1 2.88Å; D316-T337 WeakPolarHBondContact O-CA 3.28Å; I318-T337 HydrophobicContact CD1-CG2 3.71Å; I318-T337 HydrophobicContact CG1-CG2 3.81Å; L330-T337 HydrophobicContact CD1-CG2 4.41Å; S334-T337 WeakPolarHBondContact O-CB 3.4Å; S334-T337 PolarHBondContact O-N 3.42Å; S334-T337 VanDerWaalsContact O-N 3.08Å; T337-Q588 WeakPolarHBondContact O-CB 3.47Å; T337-Q588 WeakPolarHBondContact O-CG 3.32Å; T337-Q588 PolarHBondContact O-NE2 3.33Å
338Y95.3Very high93.9Very high5 Ų529.6 Ų29.62%0.0215%0.146CC..EExtended strand (participates in β ladder)trans-88.5153.1170.8-71.2-65000112.1I283 F288 D316 I317 I318 Q588 R590 F646I283-Y338 HydrophobicContact CB-CE2 3.79Å; I283-Y338 HydrophobicContact CD1-CD1 4.35Å; I283-Y338 HydrophobicContact CD1-CD2 4.33Å; I283-Y338 HydrophobicContact CD1-CE1 4.03Å; I283-Y338 HydrophobicContact CD1-CE2 4.05Å; I283-Y338 HydrophobicContact CD1-CG 4.48Å; I283-Y338 HydrophobicContact CG2-CE2 4.45Å; I283-Y338 PolarHBondContact N-OH 3.46Å; I283-Y338 PolarHBondContact O-OH 2.7Å; F288-Y338 HydrophobicContact CE1-CD2 4.09Å; F288-Y338 AromaticContact CE1-CE2 3.91Å; F288-Y338 HydrophobicContact CE1-CE2 3.91Å; F288-Y338 HydrophobicContact CZ-CE2 4.34Å; D316-Y338 PolarHBondContact O-N 3.4Å; I317-Y338 HydrophobicContact CG1-CD2 4.32Å; I318-Y338 PolarHBondContact N-O 2.87Å; Y338-Q588 CarbonylContact C-O 3.28Å; Y338-Q588 WeakPolarHBondContact CA-O 3.34Å; Y338-Q588 WeakPolarHBondContact CD1-O 3.28Å; Y338-R590 HydrophobicContact CD1-CG 4.25Å; Y338-R590 VanDerWaalsContact CE1-NH2 3.32Å; Y338-R590 PolarHBondContact OH-NH2 3.45Å; Y338-F646 AromaticContact CD2-CD1 3.74Å; Y338-F646 HydrophobicContact CD2-CD1 3.74Å; Y338-F646 HydrophobicContact CD2-CE1 4.12Å; Y338-F646 HydrophobicContact CE2-CD1 4.19Å; Y338-F646 HydrophobicContact CG-CD1 4.03Å; Y338-F646 AromaticContact CG-CE1 3.95Å; Y338-F646 HydrophobicContact CG-CE1 3.95Å
339I95.9Very high93.8Very high0 Ų027.4 Ų27.40%014%0.138CC..EExtended strand (participates in β ladder)trans-130.6146.1170.8-171.2164.1000111.2I318 F324 F327 L330 Q341 Q588 R590I318-I339 HydrophobicContact CG2-CG1 4.47Å; I318-I339 WeakPolarHBondContact O-CA 3.38Å; F324-I339 HydrophobicContact CB-CD1 3.58Å; F324-I339 HydrophobicContact CD1-CD1 3.36Å; F324-I339 HydrophobicContact CD2-CD1 3.53Å; F324-I339 HydrophobicContact CE1-CD1 3.82Å; F324-I339 HydrophobicContact CE2-CD1 3.99Å; F324-I339 HydrophobicContact CG-CD1 3.18Å; F324-I339 HydrophobicContact CZ-CD1 4.12Å; F327-I339 HydrophobicContact CD1-CG2 4.5Å; F327-I339 HydrophobicContact CE1-CG2 4.16Å; L330-I339 HydrophobicContact CD2-CB 3.92Å; L330-I339 HydrophobicContact CD2-CD1 4.24Å; L330-I339 HydrophobicContact CD2-CG2 3.73Å; I339-Q341 PolarHBondContact O-N 2.89Å; I339-Q341 VanDerWaalsContact O-N 3.13Å; I339-Q588 PolarHBondContact N-O 3.16Å; I339-R590 PolarHBondContact O-N 3.02Å
340N96.8Very high93.7Very high3 Ų322 Ų222%0.01612%0.122CC..SBendtrans-7922.6-176.976.6-47.9000115.4I318 W319 M320 R590I318-N340 PolarHBondContact O-N 2.86Å; I318-N340 PolarHBondContact O-OD1 3.3Å; W319-N340 HydrophobicContact CB-CB 4.4Å; W319-N340 HydrophobicContact CD2-CB 3.61Å; W319-N340 HydrophobicContact CE3-CB 3.48Å; W319-N340 VanDerWaalsContact CE3-CB 3.48Å; W319-N340 HydrophobicContact CG-CB 4.05Å; W319-N340 HydrophobicContact CH2-CB 4.44Å; W319-N340 HydrophobicContact CZ3-CB 3.92Å; M320-N340 VanDerWaalsContact N-CG 3.34Å; M320-N340 PolarHBondContact N-ND2 3.16Å; M320-N340 PolarHBondContact N-OD1 2.92Å; M320-N340 PolarHBondContact O-ND2 3.25Å; M320-N340 PolarHBondContact O-OD1 3.39Å; N340-R590 CarbonylContact C-O 3.57Å; N340-R590 WeakPolarHBondContact CA-O 3.5Å
341Q97.2Very high93.6Very high0 Ų023 Ų230%013%0.126CC..  trans-144.7150.3-174.7-69.8175.260.300111T322 H323 F327 I339 E345 S589 R590 F623T322-Q341 PolarHBondContact O-NE2 3.21Å; H323-Q341 PolarHBondContact ND1-OE1 2.95Å; F327-Q341 HydrophobicContact CZ-CB 4.44Å; I339-Q341 PolarHBondContact O-N 2.89Å; I339-Q341 VanDerWaalsContact O-N 3.13Å; Q341-E345 WeakPolarHBondContact CA-OE2 3.03Å; Q341-S589 WeakPolarHBondContact O-CB 3.35Å; Q341-S589 PolarHBondContact O-OG 3.22Å; Q341-R590 PolarHBondContact N-O 3.48Å; Q341-R590 VanDerWaalsContact N-O 3.13Å; Q341-F623 HydrophobicContact CG-CD2 3.91Å; Q341-F623 HydrophobicContact CG-CE2 3.34Å; Q341-F623 HydrophobicContact CG-CZ 4.08Å
342F96.3Very high93.6Very high0 Ų023 Ų230%013%0.125CC..  trans-104.4145.3171.2-78.1-97.4000111.5G344 E345 L489 V492 L583 I584 S589 A591F342-G344 PolarHBondContact O-N 2.93Å; F342-E345 HydrophobicContact CB-CB 4.35Å; F342-E345 PolarHBondContact N-OE2 2.89Å; F342-E345 WeakPolarHBondContact O-CB 3.41Å; F342-E345 VanDerWaalsContact O-CG 3.31Å; F342-E345 WeakPolarHBondContact O-CG 3.04Å; F342-E345 PolarHBondContact O-N 2.8Å; F342-L489 HydrophobicContact CD1-CD2 4.39Å; F342-L489 HydrophobicContact CD2-CD2 3.59Å; F342-L489 HydrophobicContact CD2-CG 4.15Å; F342-L489 HydrophobicContact CE1-CD2 4.33Å; F342-L489 HydrophobicContact CE2-CB 4.07Å; F342-L489 HydrophobicContact CE2-CD2 3.51Å; F342-L489 HydrophobicContact CE2-CG 3.54Å; F342-L489 HydrophobicContact CG-CD2 4.05Å; F342-L489 HydrophobicContact CZ-CD2 3.9Å; F342-L489 HydrophobicContact CZ-CG 3.78Å; F342-V492 HydrophobicContact CD1-CG2 3.83Å; F342-V492 HydrophobicContact CE1-CG2 3.62Å; F342-V492 HydrophobicContact CZ-CG2 4.38Å; F342-L583 HydrophobicContact CB-CD1 4.19Å; F342-L583 HydrophobicContact CB-CD2 3.67Å; F342-L583 HydrophobicContact CB-CG 3.81Å; F342-L583 HydrophobicContact CD1-CD2 3.78Å; F342-L583 HydrophobicContact CG-CD2 3.78Å; F342-L583 HydrophobicContact CG-CG 4.41Å; F342-I584 WeakPolarHBondContact CD1-O 3.46Å; F342-S589 WeakPolarHBondContact CZ-O 3.38Å; F342-A591 HydrophobicContact CD2-CB 3.67Å; F342-A591 HydrophobicContact CE2-CB 3.85Å
343P95.6Very high93.7Very high0 Ų018.7 Ų18.70%010%0.103CC..THydrogen-bonded Turntrans-61.1136.8169-920.1000110.2E272 L274 P275 F327 E345 I584 N586E272-P343 WeakPolarHBondContact OE2-CA 3.16Å; L274-P343 HydrophobicContact CD2-CB 3.84Å; P275-P343 HydrophobicContact CG-CG 4.45Å; F327-P343 HydrophobicContact CB-CG 4.32Å; F327-P343 HydrophobicContact CD1-CG 3.77Å; F327-P343 HydrophobicContact CD2-CB 3.84Å; F327-P343 HydrophobicContact CD2-CG 3.88Å; F327-P343 HydrophobicContact CE1-CG 3.93Å; F327-P343 HydrophobicContact CE2-CB 3.84Å; F327-P343 HydrophobicContact CE2-CG 4.05Å; F327-P343 HydrophobicContact CG-CB 4.22Å; F327-P343 HydrophobicContact CG-CG 3.74Å; F327-P343 HydrophobicContact CZ-CB 4.21Å; F327-P343 HydrophobicContact CZ-CG 4.07Å; P343-E345 VanDerWaalsContact C-N 3.3Å; P343-E345 PolarHBondContact O-N 2.93Å; P343-I584 HydrophobicContact CB-CB 4.17Å; P343-I584 HydrophobicContact CB-CG1 4.48Å; P343-I584 HydrophobicContact CG-CB 4.46Å; P343-I584 PolarHBondContact O-N 3Å; P343-N586 HydrophobicContact CG-CB 4.04Å
344G95Very high93.9Very high0 Ų014.2 Ų14.20%08%0.079CC..THydrogen-bonded Turntrans77.48.9-179.800000114.7E272 F342 Y346 V347E272-G344 PolarHBondContact OE2-N 2.92Å; F342-G344 PolarHBondContact O-N 2.93Å; G344-Y346 PolarHBondContact O-N 3.22Å; G344-Y346 VanDerWaalsContact O-N 3.08Å; G344-V347 WeakPolarHBondContact O-CB 3.33Å; G344-V347 VanDerWaalsContact O-CG1 3.32Å; G344-V347 WeakPolarHBondContact O-CG1 3.12Å; G344-V347 PolarHBondContact O-N 3.13Å; G344-V347 VanDerWaalsContact O-N 3.08Å
345E95.7Very high94.2Very high1 Ų113.2 Ų13.21%0.0057%0.072CC..THydrogen-bonded Turntrans-67-8.2179.975174-150.500113.8Q341 F342 P343 V347 F348 T349 L583 Y593 F623Q341-E345 WeakPolarHBondContact CA-OE2 3.03Å; F342-E345 HydrophobicContact CB-CB 4.35Å; F342-E345 PolarHBondContact N-OE2 2.89Å; F342-E345 WeakPolarHBondContact O-CB 3.41Å; F342-E345 VanDerWaalsContact O-CG 3.31Å; F342-E345 WeakPolarHBondContact O-CG 3.04Å; F342-E345 PolarHBondContact O-N 2.8Å; P343-E345 VanDerWaalsContact C-N 3.3Å; P343-E345 PolarHBondContact O-N 2.93Å; E345-V347 PolarHBondContact O-N 3.18Å; E345-F348 HydrophobicContact CB-CE1 3.99Å; E345-F348 WeakPolarHBondContact O-CD1 3.44Å; E345-F348 VanDerWaalsContact O-CE1 3.23Å; E345-F348 WeakPolarHBondContact O-CE1 3.31Å; E345-T349 WeakPolarHBondContact O-CB 3.3Å; E345-T349 WeakPolarHBondContact O-CG2 3.28Å; E345-T349 PolarHBondContact O-N 2.8Å; E345-T349 PolarHBondContact O-OG1 3.28Å; E345-L583 HydrophobicContact CB-CD1 4.07Å; E345-L583 HydrophobicContact CB-CG 4.48Å; E345-Y593 HydrophobicContact CB-CE1 4.39Å; E345-Y593 PolarHBondContact OE2-OH 3.23Å; E345-F623 WeakPolarHBondContact OE1-CD2 3.47Å; E345-F623 WeakPolarHBondContact OE1-CG 3.49Å
346Y92.8Very high94.5Very high25 Ų2511.7 Ų11.710%0.0986%0.063CC..Hα-helixtrans-63.1-24169.252.4-104.7000112.6E272 G344 F348 T349 V350 Y353 P580E272-Y346 HydrophobicContact CG-CE1 4.19Å; E272-Y346 VanDerWaalsContact OE1-CD1 3.29Å; E272-Y346 WeakPolarHBondContact OE1-CD1 3.44Å; E272-Y346 WeakPolarHBondContact OE1-CE1 3.19Å; G344-Y346 PolarHBondContact O-N 3.22Å; G344-Y346 VanDerWaalsContact O-N 3.08Å; Y346-F348 PolarHBondContact O-N 2.92Å; Y346-T349 WeakPolarHBondContact CA-OG1 3.4Å; Y346-T349 PolarHBondContact O-N 2.84Å; Y346-V350 VanDerWaalsContact O-CB 3.28Å; Y346-V350 WeakPolarHBondContact O-CB 3.35Å; Y346-V350 PolarHBondContact O-N 3.09Å; Y346-Y353 AromaticContact CD2-CD2 3.6Å; Y346-Y353 HydrophobicContact CD2-CD2 3.6Å; Y346-Y353 AromaticContact CD2-CE2 3.61Å; Y346-Y353 HydrophobicContact CD2-CE2 3.61Å; Y346-Y353 HydrophobicContact CE2-CD2 4.4Å; Y346-Y353 HydrophobicContact CE2-CE2 4.14Å; Y346-Y353 HydrophobicContact CG-CD2 4.42Å; Y346-Y353 HydrophobicContact CG-CE2 4.42Å; Y346-P580 WeakPolarHBondContact CE2-O 3.31Å; Y346-P580 PolarHBondContact OH-O 3.24Å
347V94.3Very high94.8Very high0 Ų07.7 Ų7.70%04%0.041CC..Hα-helixtrans-56.3-28.2-173.672.40000113.8F265 G344 E345 Y353 L354 L357 A574 R581 L583F265-V347 HydrophobicContact CE1-CG2 4.01Å; G344-V347 WeakPolarHBondContact O-CB 3.33Å; G344-V347 VanDerWaalsContact O-CG1 3.32Å; G344-V347 WeakPolarHBondContact O-CG1 3.12Å; G344-V347 PolarHBondContact O-N 3.13Å; G344-V347 VanDerWaalsContact O-N 3.08Å; E345-V347 PolarHBondContact O-N 3.18Å; V347-Y353 CarbonylContact O-C 3.58Å; V347-Y353 VanDerWaalsContact O-CB 3.28Å; V347-Y353 WeakPolarHBondContact O-CB 3.48Å; V347-L354 PolarHBondContact O-N 3.29Å; V347-L357 HydrophobicContact CG2-CD1 4.38Å; V347-A574 HydrophobicContact CG1-CB 3.98Å; V347-R581 VanDerWaalsContact CG2-O 3.28Å; V347-R581 WeakPolarHBondContact CG2-O 3.44Å; V347-L583 HydrophobicContact CG1-CB 4.29Å
348F95.2Very high95Very high0 Ų07 Ų70%04%0.037CC..Hα-helixtrans-124.4-14.1-179.371.3-24.8000113.5E345 Y346 L354 L357 I570 F571 A574 L583 Y593 V621E345-F348 HydrophobicContact CB-CE1 3.99Å; E345-F348 WeakPolarHBondContact O-CD1 3.44Å; E345-F348 VanDerWaalsContact O-CE1 3.23Å; E345-F348 WeakPolarHBondContact O-CE1 3.31Å; Y346-F348 PolarHBondContact O-N 2.92Å; F348-L354 HydrophobicContact CB-CD1 4.04Å; F348-L357 HydrophobicContact CB-CD2 4.06Å; F348-I570 HydrophobicContact CD2-CG2 3.81Å; F348-F571 AromaticContact CE2-CD1 3.82Å; F348-F571 HydrophobicContact CE2-CD1 3.82Å; F348-F571 HydrophobicContact CE2-CD2 4.26Å; F348-F571 AromaticContact CE2-CE1 3.51Å; F348-F571 HydrophobicContact CE2-CE1 3.51Å; F348-F571 HydrophobicContact CE2-CE2 4.01Å; F348-F571 HydrophobicContact CE2-CG 4.22Å; F348-F571 AromaticContact CE2-CZ 3.63Å; F348-F571 HydrophobicContact CE2-CZ 3.63Å; F348-F571 HydrophobicContact CZ-CD1 4.32Å; F348-F571 AromaticContact CZ-CE1 3.78Å; F348-F571 HydrophobicContact CZ-CE1 3.78Å; F348-F571 HydrophobicContact CZ-CZ 4.13Å; F348-A574 HydrophobicContact CB-CB 4.35Å; F348-A574 HydrophobicContact CD2-CB 3.85Å; F348-A574 HydrophobicContact CE2-CB 4.3Å; F348-A574 HydrophobicContact CG-CB 4.04Å; F348-L583 HydrophobicContact CE1-CD1 3.69Å; F348-L583 HydrophobicContact CE2-CD1 4.47Å; F348-L583 HydrophobicContact CZ-CD1 3.65Å; F348-Y593 HydrophobicContact CE1-CD1 4.33Å; F348-Y593 AromaticContact CE1-CE1 3.85Å; F348-Y593 HydrophobicContact CE1-CE1 3.85Å; F348-Y593 HydrophobicContact CZ-CD1 4.03Å; F348-Y593 HydrophobicContact CZ-CD2 4.19Å; F348-Y593 AromaticContact CZ-CE1 3.75Å; F348-Y593 HydrophobicContact CZ-CE1 3.75Å; F348-Y593 AromaticContact CZ-CE2 3.87Å; F348-Y593 HydrophobicContact CZ-CE2 3.87Å; F348-Y593 HydrophobicContact CZ-CG 4.25Å; F348-Y593 AromaticContact CZ-CZ 3.66Å; F348-V621 HydrophobicContact CD2-CG1 4.42Å; F348-V621 HydrophobicContact CE2-CG1 4.44Å; F348-V621 WeakPolarHBondContact O-CB 3.25Å
349T94Very high95.1Very high30 Ų306.9 Ų6.918%0.1844%0.037CC..Hα-helixtrans-90.6-16.7176.357.80000113.3E345 Y346 Y593 V621 F623E345-T349 WeakPolarHBondContact O-CB 3.3Å; E345-T349 WeakPolarHBondContact O-CG2 3.28Å; E345-T349 PolarHBondContact O-N 2.8Å; E345-T349 PolarHBondContact O-OG1 3.28Å; Y346-T349 WeakPolarHBondContact CA-OG1 3.4Å; Y346-T349 PolarHBondContact O-N 2.84Å; T349-Y593 HydrophobicContact CG2-CD1 3.92Å; T349-Y593 HydrophobicContact CG2-CE1 4Å; T349-V621 VanDerWaalsContact CA-O 3.26Å; T349-V621 WeakPolarHBondContact CA-O 3.49Å; T349-V621 HydrophobicContact CG2-CG1 4.26Å; T349-F623 HydrophobicContact CG2-CB 3.91Å
350V92.3Very high95Very high34 Ų347.2 Ų7.221%0.2064%0.039CC..SBendtrans-96.7128.4173.4174.30000108.9Y346 D352 Y353 L354Y346-V350 VanDerWaalsContact O-CB 3.28Å; Y346-V350 WeakPolarHBondContact O-CB 3.35Å; Y346-V350 PolarHBondContact O-N 3.09Å; V350-D352 WeakPolarHBondContact CG1-OD1 3.35Å; V350-D352 PolarHBondContact O-N 2.87Å; V350-Y353 HydrophobicContact CB-CD2 3.93Å; V350-Y353 HydrophobicContact CB-CG 4.28Å; V350-Y353 HydrophobicContact CG1-CD2 4.05Å; V350-Y353 HydrophobicContact CG1-CG 4.23Å; V350-Y353 HydrophobicContact CG2-CD2 4.5Å; V350-Y353 PolarHBondContact O-N 3.31Å; V350-Y353 VanDerWaalsContact O-N 3.07Å; V350-L354 PolarHBondContact O-N 2.9Å
351K91.4Very high94.9Very high35 Ų357.9 Ų7.915%0.1524%0.043CC..Hα-helixtrans-58.3-46.6-167-56-175.4-164.672.50113.1Y353 L354 A355 K430 W432 L434 I459K351-Y353 VanDerWaalsContact C-N 3.29Å; K351-Y353 PolarHBondContact O-N 3.22Å; K351-L354 PolarHBondContact O-N 2.86Å; K351-A355 PolarHBondContact O-N 2.75Å; K351-A355 VanDerWaalsContact O-N 3.09Å; K351-K430 HydrophobicContact CD-CB 4.35Å; K351-K430 HydrophobicContact CD-CD 4.38Å; K351-W432 PolarHBondContact NZ-O 3.35Å; K351-L434 PolarHBondContact NZ-O 3.43Å; K351-I459 HydrophobicContact CB-CD1 3.81Å
352D92Very high94.8Very high2 Ų28 Ų81%0.0114%0.044CC..Hα-helixtrans-69.8-27.6-179.458.6-71.6000112.3Y264 R269 V350 S356 I459Y264-D352 WeakPolarHBondContact OH-CB 3.47Å; Y264-D352 PolarHBondContact OH-OD2 3.16Å; R269-D352 IonicContact CZ-OD2 3.94Å; R269-D352 VanDerWaalsContact NH2-CG 3.28Å; R269-D352 IonicContact NH2-OD1 2.65Å; R269-D352 PolarHBondContact NH2-OD1 3.3Å; R269-D352 IonicContact NH2-OD2 3.89Å; R269-D352 PolarHBondContact NH2-OD2 3.16Å; V350-D352 WeakPolarHBondContact CG1-OD1 3.35Å; V350-D352 PolarHBondContact O-N 2.87Å; D352-S356 WeakPolarHBondContact O-CB 3.01Å; D352-S356 PolarHBondContact O-N 2.61Å; D352-S356 VanDerWaalsContact O-N 3.14Å; D352-S356 PolarHBondContact O-OG 3.11Å; D352-I459 HydrophobicContact CB-CG2 3.82Å
353Y94.2Very high94.6Very high2 Ų210.5 Ų10.51%0.0086%0.055CC..Hα-helixtrans-79.1-37.5173.3-67.6-15.2000112.8Y264 F265 R269 Y346 V347 V350 K351 A355 S356 L357Y264-Y353 HydrophobicContact CD1-CD1 4.28Å; Y264-Y353 AromaticContact CD1-CE1 3.95Å; Y264-Y353 HydrophobicContact CD1-CE1 3.95Å; Y264-Y353 AromaticContact CE1-CD1 3.52Å; Y264-Y353 HydrophobicContact CE1-CD1 3.52Å; Y264-Y353 AromaticContact CE1-CE1 3.48Å; Y264-Y353 HydrophobicContact CE1-CE1 3.48Å; Y264-Y353 VanDerWaalsContact CE1-CE1 3.48Å; Y264-Y353 AromaticContact CZ-CE1 3.92Å; Y264-Y353 PolarHBondContact O-OH 3.39Å; F265-Y353 AromaticContact CD1-CD1 3.88Å; F265-Y353 HydrophobicContact CD1-CD1 3.88Å; F265-Y353 HydrophobicContact CD1-CD2 4.17Å; F265-Y353 AromaticContact CD1-CE1 3.92Å; F265-Y353 HydrophobicContact CD1-CE1 3.92Å; F265-Y353 HydrophobicContact CD1-CE2 4.19Å; F265-Y353 AromaticContact CD1-CG 3.99Å; F265-Y353 HydrophobicContact CD1-CG 3.99Å; F265-Y353 AromaticContact CE1-CD1 3.75Å; F265-Y353 HydrophobicContact CE1-CD1 3.75Å; F265-Y353 HydrophobicContact CE1-CD2 4.34Å; F265-Y353 HydrophobicContact CE1-CE1 4.25Å; F265-Y353 AromaticContact CE1-CG 3.78Å; F265-Y353 HydrophobicContact CE1-CG 3.78Å; F265-Y353 HydrophobicContact CG-CE1 4.37Å; F265-Y353 HydrophobicContact CZ-CD1 4.44Å; F265-Y353 PolarHBondContact O-OH 3.41Å; R269-Y353 WeakPolarHBondContact CD-OH 3.11Å; R269-Y353 VanDerWaalsContact NE-CZ 3.28Å; R269-Y353 PolarHBondContact NE-OH 2.95Å; Y346-Y353 AromaticContact CD2-CD2 3.6Å; Y346-Y353 HydrophobicContact CD2-CD2 3.6Å; Y346-Y353 AromaticContact CD2-CE2 3.61Å; Y346-Y353 HydrophobicContact CD2-CE2 3.61Å; Y346-Y353 HydrophobicContact CE2-CD2 4.4Å; Y346-Y353 HydrophobicContact CE2-CE2 4.14Å; Y346-Y353 HydrophobicContact CG-CD2 4.42Å; Y346-Y353 HydrophobicContact CG-CE2 4.42Å; V347-Y353 CarbonylContact O-C 3.58Å; V347-Y353 VanDerWaalsContact O-CB 3.28Å; V347-Y353 WeakPolarHBondContact O-CB 3.48Å; V350-Y353 HydrophobicContact CB-CD2 3.93Å; V350-Y353 HydrophobicContact CB-CG 4.28Å; V350-Y353 HydrophobicContact CG1-CD2 4.05Å; V350-Y353 HydrophobicContact CG1-CG 4.23Å; V350-Y353 HydrophobicContact CG2-CD2 4.5Å; V350-Y353 PolarHBondContact O-N 3.31Å; V350-Y353 VanDerWaalsContact O-N 3.07Å; K351-Y353 VanDerWaalsContact C-N 3.29Å; K351-Y353 PolarHBondContact O-N 3.22Å; Y353-A355 VanDerWaalsContact C-N 3.29Å; Y353-A355 PolarHBondContact O-N 3.28Å; Y353-S356 CarbonylContact O-C 3.59Å; Y353-S356 PolarHBondContact O-N 3.34Å; Y353-S356 VanDerWaalsContact O-N 3.12Å; Y353-L357 WeakPolarHBondContact O-CB 3.34Å; Y353-L357 PolarHBondContact O-N 3.2Å
354L95.8Very high94.4Very high1 Ų113.2 Ų13.21%0.0057%0.068CC..Hα-helixtrans-60.2-42.2172.9179.359000111.1V347 F348 V350 K351 L357 A358 W386 Y387 V618 V621V347-L354 PolarHBondContact O-N 3.29Å; F348-L354 HydrophobicContact CB-CD1 4.04Å; V350-L354 PolarHBondContact O-N 2.9Å; K351-L354 PolarHBondContact O-N 2.86Å; L354-L357 PolarHBondContact O-N 3.01Å; L354-A358 PolarHBondContact O-N 3.26Å; L354-W386 HydrophobicContact CD1-CZ3 4.14Å; L354-Y387 HydrophobicContact CD2-CD2 4.16Å; L354-Y387 HydrophobicContact CD2-CE2 3.42Å; L354-Y387 VanDerWaalsContact CD2-CE2 3.42Å; L354-Y387 HydrophobicContact CG-CD2 4.06Å; L354-Y387 HydrophobicContact CG-CE2 3.55Å; L354-V618 HydrophobicContact CD2-CG1 4.03Å; L354-V621 HydrophobicContact CD2-CG2 4.17Å
355A96.1Very high94.1Very high7 Ų716.3 Ų16.36%0.0589%0.087CC..Hα-helixtrans-59.4-47.217200000111.9K351 Y353 L357 A358 A359 Y387 T390K351-A355 PolarHBondContact O-N 2.75Å; K351-A355 VanDerWaalsContact O-N 3.09Å; Y353-A355 VanDerWaalsContact C-N 3.29Å; Y353-A355 PolarHBondContact O-N 3.28Å; A355-L357 VanDerWaalsContact C-N 3.31Å; A355-L357 PolarHBondContact O-N 3.44Å; A355-A358 PolarHBondContact O-N 3.16Å; A355-A359 WeakPolarHBondContact O-CB 3.49Å; A355-A359 PolarHBondContact O-N 2.92Å; A355-Y387 VanDerWaalsContact CA-CE1 3.48Å; A355-Y387 HydrophobicContact CB-CD1 4.5Å; A355-Y387 HydrophobicContact CB-CE1 3.71Å; A355-T390 HydrophobicContact CB-CG2 3.6Å
356S95.8Very high93.7Very high1 Ų118.6 Ų18.61%0.00710%0.095CC..Hα-helixtrans-65.3-34.1179.4-560000112.7Y264 D352 Y353 S360Y264-S356 VanDerWaalsContact CE1-OG 3.26Å; Y264-S356 WeakPolarHBondContact CE1-OG 3.08Å; D352-S356 WeakPolarHBondContact O-CB 3.01Å; D352-S356 PolarHBondContact O-N 2.61Å; D352-S356 VanDerWaalsContact O-N 3.14Å; D352-S356 PolarHBondContact O-OG 3.11Å; Y353-S356 CarbonylContact O-C 3.59Å; Y353-S356 PolarHBondContact O-N 3.34Å; Y353-S356 VanDerWaalsContact O-N 3.12Å; S356-S360 WeakPolarHBondContact O-CB 3.45Å; S356-S360 PolarHBondContact O-N 2.93Å; S356-S360 PolarHBondContact O-OG 2.92Å
357L96.2Very high93.3Very high2 Ų223.7 Ų23.71%0.0112%0.122CC..Hα-helixtrans-66.6-46.8175.4179.664.1000111V347 F348 Y353 L354 A355 S360 L361 A573 A574 Y577V347-L357 HydrophobicContact CG2-CD1 4.38Å; F348-L357 HydrophobicContact CB-CD2 4.06Å; Y353-L357 WeakPolarHBondContact O-CB 3.34Å; Y353-L357 PolarHBondContact O-N 3.2Å; L354-L357 PolarHBondContact O-N 3.01Å; A355-L357 VanDerWaalsContact C-N 3.31Å; A355-L357 PolarHBondContact O-N 3.44Å; L357-S360 PolarHBondContact O-N 2.91Å; L357-L361 PolarHBondContact O-N 3.17Å; L357-A573 HydrophobicContact CD1-CB 4.22Å; L357-A573 HydrophobicContact CD2-CB 3.99Å; L357-A573 HydrophobicContact CG-CB 4.07Å; L357-A574 HydrophobicContact CD2-CB 4.14Å; L357-Y577 HydrophobicContact CD1-CD2 4.36Å; L357-Y577 HydrophobicContact CD1-CE2 4.16Å
358A97.4Very high92.9Very high0 Ų031.2 Ų31.20%016%0.157CC..Hα-helixtrans-60.2-48.3174.100000111.1L354 A355 S360 L361 A362 T384 W386 Y387L354-A358 PolarHBondContact O-N 3.26Å; A355-A358 PolarHBondContact O-N 3.16Å; A358-S360 VanDerWaalsContact C-N 3.32Å; A358-S360 PolarHBondContact O-N 2.87Å; A358-L361 PolarHBondContact O-N 3.1Å; A358-A362 WeakPolarHBondContact O-CB 3.37Å; A358-A362 PolarHBondContact O-N 2.79Å; A358-T384 HydrophobicContact CB-CG2 4.37Å; A358-T384 WeakPolarHBondContact O-CG2 3.16Å; A358-W386 HydrophobicContact CB-CH2 3.79Å; A358-W386 HydrophobicContact CB-CZ2 4.43Å; A358-W386 HydrophobicContact CB-CZ3 4.08Å; A358-Y387 HydrophobicContact CB-CD1 3.94Å; A358-Y387 HydrophobicContact CB-CG 3.93Å
359A97Very high91.9Very high2 Ų236 Ų362%0.01718%0.179CC..Hα-helixtrans-58.9-41.1176.700000113H256 I259 L260 A355 L361 A362 K363 L382H256-A359 VanDerWaalsContact CD2-CB 3.48Å; H256-A359 WeakPolarHBondContact CD2-CB 2.98Å; I259-A359 HydrophobicContact CD1-CB 4.5Å; L260-A359 HydrophobicContact CD2-CB 3.99Å; A355-A359 WeakPolarHBondContact O-CB 3.49Å; A355-A359 PolarHBondContact O-N 2.92Å; A359-L361 PolarHBondContact O-N 2.76Å; A359-A362 PolarHBondContact O-N 3.08Å; A359-K363 WeakPolarHBondContact O-CB 3.34Å; A359-K363 PolarHBondContact O-N 2.91Å; A359-L382 VanDerWaalsContact CA-O 3.29Å; A359-L382 WeakPolarHBondContact CA-O 3.39Å; A359-L382 WeakPolarHBondContact CB-O 3.43Å
360S95Very high90.3Very high7 Ų739.8 Ų39.85%0.04921%0.207CC..Hα-helixtrans-59.7-45.8177.1-63.30000111.6L260 S356 L357 A358 E364L260-S360 WeakPolarHBondContact CD2-OG 3.42Å; S356-S360 WeakPolarHBondContact O-CB 3.45Å; S356-S360 PolarHBondContact O-N 2.93Å; S356-S360 PolarHBondContact O-OG 2.92Å; L357-S360 PolarHBondContact O-N 2.91Å; A358-S360 VanDerWaalsContact C-N 3.32Å; A358-S360 PolarHBondContact O-N 2.87Å; S360-E364 WeakPolarHBondContact O-CG 3.42Å; S360-E364 PolarHBondContact O-N 3.18Å; S360-E364 VanDerWaalsContact O-N 3.17Å
361L94.3Very high88.7Confident16 Ų1642.9 Ų42.98%0.08422%0.222CC..Hα-helixtrans-68.3-39.8178-72.4-175.7000113.2L357 A358 A359 E364 T365 T384 W386 A573 K576L357-L361 PolarHBondContact O-N 3.17Å; A358-L361 PolarHBondContact O-N 3.1Å; A359-L361 PolarHBondContact O-N 2.76Å; L361-E364 PolarHBondContact O-N 2.83Å; L361-T365 WeakPolarHBondContact O-CB 3.42Å; L361-T365 PolarHBondContact O-N 2.95Å; L361-T365 PolarHBondContact O-OG1 3.21Å; L361-T384 HydrophobicContact CB-CG2 3.81Å; L361-T384 HydrophobicContact CD1-CG2 4.33Å; L361-W386 HydrophobicContact CD1-CZ2 4.2Å; L361-A573 HydrophobicContact CD1-CB 3.24Å; L361-A573 HydrophobicContact CG-CB 4.25Å; L361-K576 HydrophobicContact CD2-CD 3.57Å
362A94.3Very high86.9Confident4 Ų448.3 Ų48.33%0.03325%0.253CS..Hα-helixtrans-59.9-49.3177.600000110.7A358 A359 E364 T365 Y366 S383A358-A362 WeakPolarHBondContact O-CB 3.37Å; A358-A362 PolarHBondContact O-N 2.79Å; A359-A362 PolarHBondContact O-N 3.08Å; A362-E364 PolarHBondContact O-N 2.89Å; A362-T365 PolarHBondContact O-N 2.99Å; A362-Y366 VanDerWaalsContact O-CB 3.28Å; A362-Y366 WeakPolarHBondContact O-CB 3.28Å; A362-Y366 PolarHBondContact O-N 3.32Å; A362-S383 WeakPolarHBondContact CB-O 3.46Å
363K92Very high85Confident51 Ų5156.1 Ų56.122%0.22229%0.294CS..Hα-helixtrans-58-45.2177.3-173.4173.1-172.1167.30112.4H256 L260 A359 Y366 M367H256-K363 PolarHBondContact O-NZ 3.03Å; H256-K363 VanDerWaalsContact O-NZ 3.1Å; L260-K363 HydrophobicContact CD1-CD 3.39Å; A359-K363 WeakPolarHBondContact O-CB 3.34Å; A359-K363 PolarHBondContact O-N 2.91Å; K363-Y366 PolarHBondContact O-N 2.9Å; K363-M367 HydrophobicContact CD-CE 4.23Å; K363-M367 HydrophobicContact CG-CE 3.87Å; K363-M367 HydrophobicContact CG-SD 4.31Å; K363-M367 WeakPolarHBondContact O-CB 3.41Å; K363-M367 VanDerWaalsContact O-CG 3.27Å; K363-M367 WeakPolarHBondContact O-CG 3.18Å; K363-M367 PolarHBondContact O-N 2.68Å
364E91.3Very high82.9Confident58 Ų5858.7 Ų58.727%0.27131%0.307SS..Hα-helixtrans-65.8-43.1178.1-73-178.7169.200112.6S360 L361 A362 Y366 M367 Q368 K576 Y577S360-E364 WeakPolarHBondContact O-CG 3.42Å; S360-E364 PolarHBondContact O-N 3.18Å; S360-E364 VanDerWaalsContact O-N 3.17Å; L361-E364 PolarHBondContact O-N 2.83Å; A362-E364 PolarHBondContact O-N 2.89Å; E364-Y366 VanDerWaalsContact C-N 3.31Å; E364-Y366 PolarHBondContact O-N 2.88Å; E364-M367 PolarHBondContact O-N 3.29Å; E364-Q368 VanDerWaalsContact O-CG 3.31Å; E364-Q368 WeakPolarHBondContact O-CG 3.41Å; E364-Q368 PolarHBondContact O-N 3.31Å; E364-Q368 VanDerWaalsContact O-N 3.11Å; E364-K576 VanDerWaalsContact OE2-CE 3.3Å; E364-K576 WeakPolarHBondContact OE2-CE 3.5Å; E364-K576 IonicContact OE2-NZ 3.99Å; E364-K576 PolarHBondContact OE2-NZ 2.83Å; E364-Y577 WeakPolarHBondContact OE1-CE1 3.48Å; E364-Y577 PolarHBondContact OE1-OH 3.21Å; E364-Y577 PolarHBondContact OE2-OH 2.89Å; E364-Y577 VanDerWaalsContact OE2-OH 3.14Å
365T89.7Confident80.8Confident65 Ų6567.5 Ų67.540%0.39934%0.341SS..Hα-helixtrans-62.7-43.2177.9-56.40000110.4L361 A362 Q368 Q369L361-T365 WeakPolarHBondContact O-CB 3.42Å; L361-T365 PolarHBondContact O-N 2.95Å; L361-T365 PolarHBondContact O-OG1 3.21Å; A362-T365 PolarHBondContact O-N 2.99Å; T365-Q368 PolarHBondContact O-N 3.36Å; T365-Q369 WeakPolarHBondContact O-CG 3.46Å; T365-Q369 PolarHBondContact O-N 3.13Å
366Y86.1Confident79.2Confident48 Ų4874.7 Ų74.719%0.18838%0.379CS..Hα-helixtrans-61.3-44.5175.8-174.1-93.8000111.8A362 K363 E364 Q368 Q369 M374 K381A362-Y366 VanDerWaalsContact O-CB 3.28Å; A362-Y366 WeakPolarHBondContact O-CB 3.28Å; A362-Y366 PolarHBondContact O-N 3.32Å; K363-Y366 PolarHBondContact O-N 2.9Å; E364-Y366 VanDerWaalsContact C-N 3.31Å; E364-Y366 PolarHBondContact O-N 2.88Å; Y366-Q368 VanDerWaalsContact C-N 3.27Å; Y366-Q368 PolarHBondContact O-N 3.19Å; Y366-Q369 PolarHBondContact O-N 2.88Å; Y366-M374 HydrophobicContact CE2-CB 4.24Å; Y366-K381 HydrophobicContact CD1-CB 4.33Å; Y366-K381 HydrophobicContact CD1-CD 4.33Å; Y366-K381 HydrophobicContact CD1-CG 4.02Å; Y366-K381 HydrophobicContact CD2-CB 3.99Å; Y366-K381 HydrophobicContact CE1-CD 4.17Å; Y366-K381 HydrophobicContact CE1-CG 4.32Å; Y366-K381 HydrophobicContact CE2-CB 4.25Å; Y366-K381 HydrophobicContact CG-CB 4.03Å; Y366-K381 HydrophobicContact CG-CG 4.15Å
367M85.8Confident78.4Confident133 Ų13378.6 Ų78.666%0.65540%0.399SS*.Hα-helixtrans-65.4-26177.7-75.1177.2174.300114.1K363 E364K363-M367 HydrophobicContact CD-CE 4.23Å; K363-M367 HydrophobicContact CG-CE 3.87Å; K363-M367 HydrophobicContact CG-SD 4.31Å; K363-M367 WeakPolarHBondContact O-CB 3.41Å; K363-M367 VanDerWaalsContact O-CG 3.27Å; K363-M367 WeakPolarHBondContact O-CG 3.18Å; K363-M367 PolarHBondContact O-N 2.68Å; E364-M367 PolarHBondContact O-N 3.29Å
368Q84.2Confident78Confident158 Ų15880.6 Ų80.674%0.73841%0.41SS*.Hα-helixtrans-82.6-23.3179.1-72.1173.310.800113E364 T365 Y366E364-Q368 VanDerWaalsContact O-CG 3.31Å; E364-Q368 WeakPolarHBondContact O-CG 3.41Å; E364-Q368 PolarHBondContact O-N 3.31Å; E364-Q368 VanDerWaalsContact O-N 3.11Å; T365-Q368 PolarHBondContact O-N 3.36Å; Y366-Q368 VanDerWaalsContact C-N 3.27Å; Y366-Q368 PolarHBondContact O-N 3.19Å
369Q75.3Confident77.7Confident100 Ų10082.5 Ų82.547%0.46742%0.42SS..SBendtrans-85.5127.6177.3-6617815.700109T365 Y366 N371T365-Q369 WeakPolarHBondContact O-CG 3.46Å; T365-Q369 PolarHBondContact O-N 3.13Å; Y366-Q369 PolarHBondContact O-N 2.88Å; Q369-N371 PolarHBondContact O-N 3.42Å
370S60.7Low77.4Confident109 Ų10984.1 Ų84.176%0.76243%0.433SS*.  trans-61.6128-177.262.30000111.5D372S370-D372 PolarHBondContact O-N 3.09Å
371N57.6Low77.2Confident99 Ų9986.1 Ų86.153%0.52944%0.441SS..G310 helixtrans-49.9-13.5-168.8-78.8-14.8000118.9Q369 L373Q369-N371 PolarHBondContact O-N 3.42Å; N371-L373 VanDerWaalsContact C-N 3.34Å; N371-L373 PolarHBondContact O-N 3.01Å
372D54.5Low77.3Confident149 Ų14985.4 Ų85.480%0.79744%0.437SS*.G310 helixtrans-75.5-10.2-161.4-79.3-18.5000116S370S370-D372 PolarHBondContact O-N 3.09Å
373L50.9Low77.3Confident166 Ų16685.7 Ų85.787%0.86944%0.439SS*.G310 helixtrans-127.52.9-171.8-74.7167.5000116.2N371N371-L373 VanDerWaalsContact C-N 3.34Å; N371-L373 PolarHBondContact O-N 3.01Å
374M51.8Low77.5Confident56 Ų5684.1 Ų84.128%0.27643%0.434SS..  trans-125.918.7-170.6-77.1-155.275.800115.9Y366 D376 N377 A380Y366-M374 HydrophobicContact CE2-CB 4.24Å; M374-D376 PolarHBondContact O-N 3.03Å; M374-N377 HydrophobicContact CE-CB 3.81Å; M374-N377 PolarHBondContact O-N 2.97Å; M374-A380 HydrophobicContact CE-CB 3.66Å
375Y50.9Low77.6Confident187 Ų18785.8 Ų85.873%0.73344%0.444SS*.THydrogen-bonded Turntrans-54-21.3172.1-89.6-85.3000113.1
376D62.7Low77.8Confident158 Ų15882.8 Ų82.885%0.84543%0.426SS*.THydrogen-bonded Turntrans-90.2-18.9-172.8-67.3-19000115.8M374M374-D376 PolarHBondContact O-N 3.03Å
377N79.6Confident78.4Confident83 Ų8380.7 Ų80.744%0.44442%0.418SS..  trans-11278.3-176.2-167.8-4.6000112.5M374 D379 A380M374-N377 HydrophobicContact CE-CB 3.81Å; M374-N377 PolarHBondContact O-N 2.97Å; N377-D379 PolarHBondContact O-N 3.49Å; N377-D379 WeakPolarHBondContact OD1-CB 3.31Å; N377-D379 PolarHBondContact OD1-N 3.1Å; N377-A380 HydrophobicContact CB-CB 4.44Å; N377-A380 WeakPolarHBondContact O-CB 3.45Å; N377-A380 PolarHBondContact O-N 3.46Å; N377-A380 PolarHBondContact OD1-N 2.88Å
378I87.4Confident78.9Confident44 Ų4475 Ų7523%0.22639%0.391CS..THydrogen-bonded Turntrans-58.7-33177.6-165.7162.6000113I254 A380 K381 L382 Y403I254-I378 HydrophobicContact CB-CD1 3.72Å; I254-I378 HydrophobicContact CD1-CD1 3.72Å; I254-I378 HydrophobicContact CG1-CD1 4.34Å; I254-I378 HydrophobicContact CG2-CD1 3.64Å; I254-I378 HydrophobicContact CG2-CG1 4.31Å; I378-A380 PolarHBondContact O-N 3.38Å; I378-K381 WeakPolarHBondContact O-CB 3.26Å; I378-K381 PolarHBondContact O-N 3.23Å; I378-L382 HydrophobicContact CG1-CD1 4.11Å; I378-L382 HydrophobicContact CG1-CG 4.47Å; I378-L382 WeakPolarHBondContact O-CG 3.43Å; I378-L382 PolarHBondContact O-N 3.04Å; I378-Y403 HydrophobicContact CG2-CE2 3.94Å
379D91.1Very high79.5Confident40 Ų4067.7 Ų67.721%0.21436%0.357CS..Hα-helixtrans-60.1-36.2-179.9-75.619.2000111.7N377 K381 L382 S383 V389 Y403 R462N377-D379 PolarHBondContact O-N 3.49Å; N377-D379 WeakPolarHBondContact OD1-CB 3.31Å; N377-D379 PolarHBondContact OD1-N 3.1Å; D379-K381 PolarHBondContact O-N 2.91Å; D379-L382 PolarHBondContact O-N 2.87Å; D379-S383 PolarHBondContact O-N 3.24Å; D379-V389 HydrophobicContact CB-CG2 3.86Å; D379-Y403 WeakPolarHBondContact OD1-CE2 3.21Å; D379-Y403 PolarHBondContact OD1-OH 3.24Å; D379-Y403 PolarHBondContact OD2-OH 2.72Å; D379-R462 IonicContact OD2-NE 3.54Å
380A89.9Confident80.5Confident35 Ų3563.2 Ų63.229%0.28934%0.336SS..Hα-helixtrans-66.7-20.4178.600000113.5M374 N377 I378M374-A380 HydrophobicContact CE-CB 3.66Å; N377-A380 HydrophobicContact CB-CB 4.44Å; N377-A380 WeakPolarHBondContact O-CB 3.45Å; N377-A380 PolarHBondContact O-N 3.46Å; N377-A380 PolarHBondContact OD1-N 2.88Å; I378-A380 PolarHBondContact O-N 3.38Å
381K91.3Very high82.3Confident49 Ų4958 Ų5821%0.21330%0.3CS..Hα-helixtrans-83-26.1171.5-176.3-174.8172.8-167.70111.8E255 Y366 I378 D379E255-K381 IonicContact OE2-NZ 3.48Å; E255-K381 PolarHBondContact OE2-NZ 3.1Å; Y366-K381 HydrophobicContact CD1-CB 4.33Å; Y366-K381 HydrophobicContact CD1-CD 4.33Å; Y366-K381 HydrophobicContact CD1-CG 4.02Å; Y366-K381 HydrophobicContact CD2-CB 3.99Å; Y366-K381 HydrophobicContact CE1-CD 4.17Å; Y366-K381 HydrophobicContact CE1-CG 4.32Å; Y366-K381 HydrophobicContact CE2-CB 4.25Å; Y366-K381 HydrophobicContact CG-CB 4.03Å; Y366-K381 HydrophobicContact CG-CG 4.15Å; I378-K381 WeakPolarHBondContact O-CB 3.26Å; I378-K381 PolarHBondContact O-N 3.23Å; D379-K381 PolarHBondContact O-N 2.91Å
382L95.4Very high84.1Confident2 Ų253.5 Ų53.51%0.0128%0.276CS..Hα-helixtrans-96.1-32.5-169.5-62.8174.4000113.4I254 H256 A359 I378 D379 V389 F391 Y403I254-L382 HydrophobicContact CG2-CD1 3.87Å; I254-L382 HydrophobicContact CG2-CD2 4.2Å; H256-L382 PolarHBondContact CD2-O 3.24Å; H256-L382 PolarHBondContact NE2-O 3.28Å; H256-L382 VanDerWaalsContact NE2-O 3.16Å; A359-L382 VanDerWaalsContact CA-O 3.29Å; A359-L382 WeakPolarHBondContact CA-O 3.39Å; A359-L382 WeakPolarHBondContact CB-O 3.43Å; I378-L382 HydrophobicContact CG1-CD1 4.11Å; I378-L382 HydrophobicContact CG1-CG 4.47Å; I378-L382 WeakPolarHBondContact O-CG 3.43Å; I378-L382 PolarHBondContact O-N 3.04Å; D379-L382 PolarHBondContact O-N 2.87Å; L382-V389 HydrophobicContact CB-CG1 4.09Å; L382-V389 HydrophobicContact CB-CG2 4.3Å; L382-V389 HydrophobicContact CD1-CG1 3.96Å; L382-F391 HydrophobicContact CD1-CZ 3.9Å; L382-Y403 HydrophobicContact CD1-CD2 3.64Å; L382-Y403 HydrophobicContact CD1-CE2 3.63Å
383S96.1Very high86.1Confident10 Ų1046.5 Ų46.57%0.0724%0.238CC..  trans-151.9160.3-180-169.20000113.1A362 D379 Y387 P388A362-S383 WeakPolarHBondContact CB-O 3.46Å; D379-S383 PolarHBondContact O-N 3.24Å; S383-Y387 PolarHBondContact OG-O 2.93Å; S383-P388 PolarHBondContact OG-O 3.39Å
384T95.4Very high88.1Confident18 Ų1841.5 Ų41.511%0.1121%0.214CC..  trans-69.7163.9171.953.80000110.9A358 L361 W386 Y387A358-T384 HydrophobicContact CB-CG2 4.37Å; A358-T384 WeakPolarHBondContact O-CG2 3.16Å; L361-T384 HydrophobicContact CB-CG2 3.81Å; L361-T384 HydrophobicContact CD1-CG2 4.33Å; T384-W386 HydrophobicContact CG2-CZ2 3.74Å; T384-W386 PolarHBondContact O-N 3.46Å; T384-W386 WeakPolarHBondContact OG1-CZ2 3.22Å; T384-W386 PolarHBondContact OG1-NE1 3.41Å; T384-Y387 PolarHBondContact O-N 2.97Å
385N92.2Very high90.1Very high92 Ų9241.5 Ų41.549%0.49221%0.212SC..THydrogen-bonded Turntrans-64.6-25.3177.663.4-2.7000113.2R602N385-R602 VanDerWaalsContact O-CZ 3.31Å; N385-R602 PolarHBondContact O-NH1 2.94Å; N385-R602 PolarHBondContact O-NH2 3.48Å
386W95.6Very high92.2Very high3 Ų332.6 Ų32.61%0.01118%0.177CC..THydrogen-bonded Turntrans-92.1-5.5-177.150.8-103.2000114L354 A358 L361 T384 L566 E569 I570 A573 V618L354-W386 HydrophobicContact CD1-CZ3 4.14Å; A358-W386 HydrophobicContact CB-CH2 3.79Å; A358-W386 HydrophobicContact CB-CZ2 4.43Å; A358-W386 HydrophobicContact CB-CZ3 4.08Å; L361-W386 HydrophobicContact CD1-CZ2 4.2Å; T384-W386 HydrophobicContact CG2-CZ2 3.74Å; T384-W386 PolarHBondContact O-N 3.46Å; T384-W386 WeakPolarHBondContact OG1-CZ2 3.22Å; T384-W386 PolarHBondContact OG1-NE1 3.41Å; W386-L566 HydrophobicContact CB-CD1 3.39Å; W386-L566 HydrophobicContact CB-CG 3.81Å; W386-L566 HydrophobicContact CG-CD1 4.42Å; W386-L566 HydrophobicContact CG-CG 4.38Å; W386-E569 VanDerWaalsContact CD1-CD 3.41Å; W386-E569 VanDerWaalsContact CD1-OE1 3.26Å; W386-E569 PolarHBondContact NE1-OE1 3.47Å; W386-I570 HydrophobicContact CD2-CG1 4.29Å; W386-I570 HydrophobicContact CE3-CG1 4.06Å; W386-I570 HydrophobicContact CH2-CG1 4.46Å; W386-I570 HydrophobicContact CZ3-CG1 4.17Å; W386-A573 HydrophobicContact CZ2-CB 4.46Å; W386-V618 HydrophobicContact CE3-CG2 4.07Å; W386-V618 PolarHBondContact O-N 3.1Å
387Y97.5Very high93.8Very high4 Ų425.2 Ų25.22%0.01614%0.137CC..SBendtrans-127.5137.7177.8-154.9-104.4000111.2L354 A355 A358 S383 T384 V618L354-Y387 HydrophobicContact CD2-CD2 4.16Å; L354-Y387 HydrophobicContact CD2-CE2 3.42Å; L354-Y387 VanDerWaalsContact CD2-CE2 3.42Å; L354-Y387 HydrophobicContact CG-CD2 4.06Å; L354-Y387 HydrophobicContact CG-CE2 3.55Å; A355-Y387 VanDerWaalsContact CA-CE1 3.48Å; A355-Y387 HydrophobicContact CB-CD1 4.5Å; A355-Y387 HydrophobicContact CB-CE1 3.71Å; A358-Y387 HydrophobicContact CB-CD1 3.94Å; A358-Y387 HydrophobicContact CB-CG 3.93Å; S383-Y387 PolarHBondContact OG-O 2.93Å; T384-Y387 PolarHBondContact O-N 2.97Å; Y387-V618 HydrophobicContact CD2-CB 4.03Å; Y387-V618 HydrophobicContact CD2-CG1 4.33Å; Y387-V618 HydrophobicContact CE2-CB 4.44Å; Y387-V618 HydrophobicContact CE2-CG1 4.33Å
388P96.3Very high94.7Very high14 Ų1422.4 Ų22.49%0.09112%0.124CC..  trans-64.7145.1177.328.1-35.2000111.2S383 T390 R462S383-P388 PolarHBondContact OG-O 3.39Å; P388-T390 PolarHBondContact O-N 2.7Å; P388-T390 VanDerWaalsContact O-N 3.14Å; P388-T390 PolarHBondContact O-OG1 3.48Å; P388-R462 HydrophobicContact CB-CB 4.45Å; P388-R462 WeakPolarHBondContact CB-O 3.27Å
389V96.5Very high95.2Very high4 Ų421.8 Ų21.82%0.02412%0.12CC..  trans-49.9124.1166.7174.70000108.3D379 L382 F391 Y403 W427 S461 R462D379-V389 HydrophobicContact CB-CG2 3.86Å; L382-V389 HydrophobicContact CB-CG1 4.09Å; L382-V389 HydrophobicContact CB-CG2 4.3Å; L382-V389 HydrophobicContact CD1-CG1 3.96Å; V389-F391 HydrophobicContact CG1-CD2 4.35Å; V389-F391 HydrophobicContact CG1-CE2 3.68Å; V389-F391 HydrophobicContact CG1-CZ 4.24Å; V389-Y403 HydrophobicContact CG1-CE2 4.36Å; V389-W427 HydrophobicContact CG1-CH2 4.32Å; V389-S461 CarbonylContact O-C 3.59Å; V389-S461 WeakPolarHBondContact O-CA 3.45Å; V389-R462 PolarHBondContact O-N 3.39Å
390T98Very high95.5Very high6 Ų619.9 Ų19.94%0.03711%0.11CC..EExtended strand (participates in β ladder)trans-140.4131.4-171.1-61.80000110.3H256 A355 P388 I459 A460 S461H256-T390 PolarHBondContact CE1-O 3.33Å; H256-T390 VanDerWaalsContact CE1-O 3.29Å; A355-T390 HydrophobicContact CB-CG2 3.6Å; P388-T390 PolarHBondContact O-N 2.7Å; P388-T390 VanDerWaalsContact O-N 3.14Å; P388-T390 PolarHBondContact O-OG1 3.48Å; T390-I459 HydrophobicContact CG2-CB 3.92Å; T390-I459 HydrophobicContact CG2-CD1 4.07Å; T390-I459 HydrophobicContact CG2-CG1 4.38Å; T390-A460 CarbonylContact C-O 3.57Å; T390-A460 WeakPolarHBondContact CA-O 2.87Å; T390-S461 VanDerWaalsContact CG2-OG 3.28Å; T390-S461 WeakPolarHBondContact CG2-OG 3.2Å; T390-S461 VanDerWaalsContact OG1-CB 3.3Å; T390-S461 WeakPolarHBondContact OG1-CB 3.44Å; T390-S461 PolarHBondContact OG1-OG 3.21Å
391F98.1Very high95.9Very high0 Ų018.2 Ų18.20%010%0.096CC..EExtended strand (participates in β ladder)trans-112.4139.9175.7-65.4-87.3000110.4I254 H256 L382 V389 L393 E396 Q399 F400 Y403 W427 I459 A460I254-F391 HydrophobicContact CG2-CZ 4.23Å; H256-F391 AromaticContact CE1-CD1 3.84Å; H256-F391 AromaticContact CE1-CE1 3.91Å; L382-F391 HydrophobicContact CD1-CZ 3.9Å; V389-F391 HydrophobicContact CG1-CD2 4.35Å; V389-F391 HydrophobicContact CG1-CE2 3.68Å; V389-F391 HydrophobicContact CG1-CZ 4.24Å; F391-L393 HydrophobicContact CB-CD2 4.32Å; F391-L393 PolarHBondContact O-N 3.16Å; F391-E396 HydrophobicContact CB-CB 4.45Å; F391-E396 HydrophobicContact CD1-CB 4.32Å; F391-Q399 HydrophobicContact CD1-CB 4.18Å; F391-Q399 HydrophobicContact CE1-CB 4Å; F391-F400 HydrophobicContact CB-CB 3.98Å; F391-F400 HydrophobicContact CB-CD2 4.14Å; F391-F400 HydrophobicContact CB-CG 4.47Å; F391-F400 HydrophobicContact CD1-CB 4.45Å; F391-F400 HydrophobicContact CD2-CB 4.39Å; F391-F400 AromaticContact CD2-CD2 3.74Å; F391-F400 HydrophobicContact CD2-CD2 3.74Å; F391-F400 HydrophobicContact CE2-CD2 4.45Å; F391-F400 HydrophobicContact CG-CB 4.04Å; F391-F400 HydrophobicContact CG-CD2 4.13Å; F391-Y403 HydrophobicContact CE2-CD1 4.26Å; F391-Y403 HydrophobicContact CE2-CD2 4.13Å; F391-Y403 AromaticContact CE2-CG 3.86Å; F391-Y403 HydrophobicContact CE2-CG 3.86Å; F391-Y403 AromaticContact CZ-CD2 3.89Å; F391-Y403 HydrophobicContact CZ-CD2 3.89Å; F391-Y403 AromaticContact CZ-CG 3.88Å; F391-Y403 HydrophobicContact CZ-CG 3.88Å; F391-W427 AromaticContact CD2-CH2 3.88Å; F391-W427 HydrophobicContact CD2-CH2 3.88Å; F391-W427 AromaticContact CD2-CZ3 3.97Å; F391-W427 HydrophobicContact CD2-CZ3 3.97Å; F391-W427 AromaticContact CE2-CH2 3.79Å; F391-W427 HydrophobicContact CE2-CH2 3.79Å; F391-W427 HydrophobicContact CE2-CZ3 4.33Å; F391-I459 CarbonylContact O-C 3.54Å; F391-I459 VanDerWaalsContact O-CA 3.29Å; F391-I459 WeakPolarHBondContact O-CA 3.3Å; F391-A460 PolarHBondContact N-O 2.89Å; F391-A460 PolarHBondContact O-N 3.28Å
392N95.9Very high96.2Very high4 Ų415.9 Ų15.92%0.0219%0.086CC..EExtended strand (participates in β ladder)trans-86.1105.6170-175-37.5000109.7I259 Y264 V394 Y395 E396 W432I259-N392 HydrophobicContact CG2-CB 4.02Å; Y264-N392 PolarHBondContact OH-ND2 2.99Å; N392-V394 PolarHBondContact O-N 3.03Å; N392-V394 PolarHBondContact OD1-N 2.88Å; N392-V394 VanDerWaalsContact OD1-N 3.09Å; N392-Y395 PolarHBondContact O-N 3.09Å; N392-E396 PolarHBondContact N-OE2 3.22Å; N392-E396 WeakPolarHBondContact O-CA 3.35Å; N392-E396 VanDerWaalsContact O-CB 3.31Å; N392-E396 WeakPolarHBondContact O-CB 3.26Å; N392-E396 PolarHBondContact O-N 3.14Å; N392-W432 WeakPolarHBondContact ND2-CZ2 3.28Å; N392-W432 VanDerWaalsContact OD1-CZ2 3.22Å; N392-W432 WeakPolarHBondContact OD1-CZ2 3.19Å
393L95.8Very high96.3Very high2 Ų216.3 Ų16.31%0.019%0.087CC..THydrogen-bonded Turntrans-71.5-6.4-170.6-58-177.1000114.7F391 L397 F400 L429 I449 C453 M458 A460F391-L393 HydrophobicContact CB-CD2 4.32Å; F391-L393 PolarHBondContact O-N 3.16Å; L393-L397 HydrophobicContact CD2-CD1 4.47Å; L393-F400 HydrophobicContact CD2-CB 3.62Å; L393-F400 HydrophobicContact CD2-CD1 3.68Å; L393-F400 HydrophobicContact CD2-CD2 4.01Å; L393-F400 HydrophobicContact CD2-CE1 4.39Å; L393-F400 HydrophobicContact CD2-CG 3.45Å; L393-F400 VanDerWaalsContact CD2-CG 3.45Å; L393-L429 HydrophobicContact CD1-CD2 4.05Å; L393-I449 HydrophobicContact CD1-CG2 3.88Å; L393-C453 WeakPolarHBondContact CD1-SG 3.49Å; L393-M458 HydrophobicContact CD1-CB 4.28Å; L393-M458 PolarHBondContact N-O 3.09Å; L393-A460 HydrophobicContact CD1-CB 3.88Å; L393-A460 HydrophobicContact CD2-CB 3.96Å; L393-A460 HydrophobicContact CG-CB 4.05Å
394V92.3Very high96.3Very high60 Ų6016.5 Ų16.536%0.3649%0.087SC..THydrogen-bonded Turntrans-79.3-35.2170178.50000111.3N392 W432 P457N392-V394 PolarHBondContact O-N 3.03Å; N392-V394 PolarHBondContact OD1-N 2.88Å; N392-V394 VanDerWaalsContact OD1-N 3.09Å; V394-W432 HydrophobicContact CB-CH2 4.07Å; V394-W432 HydrophobicContact CB-CZ2 3.73Å; V394-W432 HydrophobicContact CG1-CH2 4.29Å; V394-W432 HydrophobicContact CG1-CZ2 4.44Å; V394-W432 HydrophobicContact CG2-CH2 3.89Å; V394-W432 HydrophobicContact CG2-CZ2 3.41Å; V394-W432 VanDerWaalsContact CG2-CZ2 3.41Å; V394-P457 HydrophobicContact CG2-CB 3.83Å
395Y93.7Very high96.3Very high57 Ų5716.9 Ų16.922%0.2249%0.087CC..THydrogen-bonded Turntrans-113.3-16.8-172.6-58.8-66.8000113.6Y258 Y264 H268 N392 W432Y258-Y395 AromaticContact CD1-CD1 3.57Å; Y258-Y395 HydrophobicContact CD1-CD1 3.57Å; Y258-Y395 HydrophobicContact CD1-CD2 4.24Å; Y258-Y395 HydrophobicContact CD1-CE1 4.1Å; Y258-Y395 AromaticContact CD1-CG 3.65Å; Y258-Y395 HydrophobicContact CD1-CG 3.65Å; Y258-Y395 AromaticContact CE1-CD1 3.48Å; Y258-Y395 HydrophobicContact CE1-CD1 3.48Å; Y258-Y395 VanDerWaalsContact CE1-CD1 3.48Å; Y258-Y395 HydrophobicContact CE1-CD2 4.26Å; Y258-Y395 AromaticContact CE1-CE1 3.49Å; Y258-Y395 HydrophobicContact CE1-CE1 3.49Å; Y258-Y395 VanDerWaalsContact CE1-CE1 3.49Å; Y258-Y395 HydrophobicContact CE1-CE2 4.27Å; Y258-Y395 AromaticContact CE1-CG 3.88Å; Y258-Y395 HydrophobicContact CE1-CG 3.88Å; Y258-Y395 AromaticContact CE1-CZ 3.9Å; Y264-Y395 AromaticContact CD2-CD2 3.98Å; Y264-Y395 HydrophobicContact CD2-CD2 3.98Å; Y264-Y395 AromaticContact CD2-CE2 3.81Å; Y264-Y395 HydrophobicContact CD2-CE2 3.81Å; Y264-Y395 AromaticContact CE2-CD2 3.64Å; Y264-Y395 HydrophobicContact CE2-CD2 3.64Å; Y264-Y395 AromaticContact CE2-CE2 3.54Å; Y264-Y395 HydrophobicContact CE2-CE2 3.54Å; H268-Y395 PolarHBondContact CE1-OH 3.43Å; H268-Y395 PolarHBondContact ND1-OH 3.32Å; N392-Y395 PolarHBondContact O-N 3.09Å; Y395-W432 HydrophobicContact CD2-CH2 4.45Å; Y395-W432 HydrophobicContact CD2-CZ2 4.47Å; Y395-W432 AromaticContact CE2-CH2 3.63Å; Y395-W432 HydrophobicContact CE2-CH2 3.63Å; Y395-W432 HydrophobicContact CE2-CZ2 4.07Å
396E96.6Very high96.4Very high0 Ų013.6 Ų13.60%07%0.071CC..  trans-13222.2-169.2-55.1-174.4125.500112.8H256 I259 F391 N392 Q399 F400H256-E396 WeakPolarHBondContact CA-OE1 3.5Å; H256-E396 IonicContact CE1-OE1 2.72Å; H256-E396 IonicContact CE1-OE2 3.13Å; H256-E396 IonicContact CG-OE1 3.54Å; H256-E396 IonicContact ND1-OE1 3.78Å; H256-E396 PolarHBondContact ND1-OE1 3.09Å; H256-E396 IonicContact ND1-OE2 3.7Å; H256-E396 PolarHBondContact ND1-OE2 3.25Å; I259-E396 WeakPolarHBondContact CD1-OE1 3.48Å; I259-E396 WeakPolarHBondContact CD1-OE2 3.43Å; I259-E396 WeakPolarHBondContact CG1-OE1 3.5Å; I259-E396 HydrophobicContact CG2-CG 3.99Å; F391-E396 HydrophobicContact CB-CB 4.45Å; F391-E396 HydrophobicContact CD1-CB 4.32Å; N392-E396 PolarHBondContact N-OE2 3.22Å; N392-E396 WeakPolarHBondContact O-CA 3.35Å; N392-E396 VanDerWaalsContact O-CB 3.31Å; N392-E396 WeakPolarHBondContact O-CB 3.26Å; N392-E396 PolarHBondContact O-N 3.14Å; E396-Q399 HydrophobicContact CB-CB 4.44Å; E396-Q399 PolarHBondContact O-N 3.28Å; E396-Q399 PolarHBondContact O-OE1 3.25Å; E396-F400 WeakPolarHBondContact O-CB 3.01Å; E396-F400 PolarHBondContact O-N 3.45Å
397L96.2Very high96.2Very high3 Ų315 Ų152%0.0168%0.079CC..Hα-helixtrans-54.3-45.3175.2-179.966.2000112.4Y240 L393 Q399 F400 C401Y240-L397 HydrophobicContact CD1-CD2 4.4Å; Y240-L397 HydrophobicContact CD2-CD2 3.8Å; Y240-L397 HydrophobicContact CE1-CD2 4.13Å; Y240-L397 HydrophobicContact CE2-CD2 3.49Å; Y240-L397 VanDerWaalsContact CE2-CD2 3.49Å; Y240-L397 HydrophobicContact CG-CD2 4.25Å; L393-L397 HydrophobicContact CD2-CD1 4.47Å; L397-Q399 PolarHBondContact O-N 3.31Å; L397-F400 HydrophobicContact CD1-CD1 4.44Å; L397-F400 WeakPolarHBondContact O-CB 3.49Å; L397-F400 PolarHBondContact O-N 3.49Å; L397-C401 PolarHBondContact O-N 2.76Å; L397-C401 PolarHBondContact O-SG 3.16Å; L397-C401 VanDerWaalsContact O-SG 3.39Å
398P97.6Very high95.8Very high24 Ų2420.8 Ų20.816%0.15610%0.102CC..Hα-helixtrans-56.3-48.5176.1-29.138.5000113.6L236 Y239 F400 C401 A402L236-P398 HydrophobicContact CD2-CG 3.6Å; Y239-P398 HydrophobicContact CD1-CB 4.38Å; Y239-P398 HydrophobicContact CD2-CB 4.35Å; Y239-P398 HydrophobicContact CD2-CG 3.96Å; Y239-P398 HydrophobicContact CE1-CB 3.84Å; Y239-P398 HydrophobicContact CE1-CG 4.47Å; Y239-P398 HydrophobicContact CE2-CB 3.8Å; Y239-P398 HydrophobicContact CE2-CG 3.71Å; Y239-P398 HydrophobicContact CG-CG 4.44Å; P398-F400 VanDerWaalsContact C-N 3.3Å; P398-F400 PolarHBondContact O-N 3.34Å; P398-C401 PolarHBondContact O-N 2.69Å; P398-A402 WeakPolarHBondContact O-CB 3.44Å; P398-A402 PolarHBondContact O-N 3.22Å
399Q98Very high95.5Very high31 Ų3122.9 Ų22.915%0.14511%0.112CC..Hα-helixtrans-65.1-37-180-64.281.6-8.900111.2F391 E396 L397 Y403F391-Q399 HydrophobicContact CD1-CB 4.18Å; F391-Q399 HydrophobicContact CE1-CB 4Å; E396-Q399 HydrophobicContact CB-CB 4.44Å; E396-Q399 PolarHBondContact O-N 3.28Å; E396-Q399 PolarHBondContact O-OE1 3.25Å; L397-Q399 PolarHBondContact O-N 3.31Å; Q399-Y403 WeakPolarHBondContact O-CB 3.41Å; Q399-Y403 PolarHBondContact O-N 3.46Å
400F98.1Very high95Very high0 Ų027 Ų270%013%0.13CC..Hα-helixtrans-63.7-49.5174.1174.4-102.9000111.6F391 L393 E396 L397 P398 A402 Y403 F404 W427 L446 I449 A460F391-F400 HydrophobicContact CB-CB 3.98Å; F391-F400 HydrophobicContact CB-CD2 4.14Å; F391-F400 HydrophobicContact CB-CG 4.47Å; F391-F400 HydrophobicContact CD1-CB 4.45Å; F391-F400 HydrophobicContact CD2-CB 4.39Å; F391-F400 AromaticContact CD2-CD2 3.74Å; F391-F400 HydrophobicContact CD2-CD2 3.74Å; F391-F400 HydrophobicContact CE2-CD2 4.45Å; F391-F400 HydrophobicContact CG-CB 4.04Å; F391-F400 HydrophobicContact CG-CD2 4.13Å; L393-F400 HydrophobicContact CD2-CB 3.62Å; L393-F400 HydrophobicContact CD2-CD1 3.68Å; L393-F400 HydrophobicContact CD2-CD2 4.01Å; L393-F400 HydrophobicContact CD2-CE1 4.39Å; L393-F400 HydrophobicContact CD2-CG 3.45Å; L393-F400 VanDerWaalsContact CD2-CG 3.45Å; E396-F400 WeakPolarHBondContact O-CB 3.01Å; E396-F400 PolarHBondContact O-N 3.45Å; L397-F400 HydrophobicContact CD1-CD1 4.44Å; L397-F400 WeakPolarHBondContact O-CB 3.49Å; L397-F400 PolarHBondContact O-N 3.49Å; P398-F400 VanDerWaalsContact C-N 3.3Å; P398-F400 PolarHBondContact O-N 3.34Å; F400-A402 VanDerWaalsContact C-N 3.32Å; F400-A402 PolarHBondContact O-N 3.28Å; F400-Y403 PolarHBondContact O-N 3.23Å; F400-F404 HydrophobicContact CE1-CB 4.46Å; F400-F404 HydrophobicContact CE1-CD2 4.26Å; F400-F404 HydrophobicContact CE2-CD2 4.4Å; F400-F404 HydrophobicContact CZ-CB 4.38Å; F400-F404 AromaticContact CZ-CD2 3.73Å; F400-F404 HydrophobicContact CZ-CD2 3.73Å; F400-F404 HydrophobicContact CZ-CG 4.43Å; F400-F404 VanDerWaalsContact O-CB 3.22Å; F400-F404 WeakPolarHBondContact O-CB 3.31Å; F400-F404 PolarHBondContact O-N 3.11Å; F400-W427 HydrophobicContact CD2-CH2 4.39Å; F400-W427 HydrophobicContact CD2-CZ3 4.37Å; F400-W427 AromaticContact CE2-CD2 3.59Å; F400-W427 HydrophobicContact CE2-CD2 3.59Å; F400-W427 AromaticContact CE2-CE2 3.68Å; F400-W427 AromaticContact CE2-CE3 3.71Å; F400-W427 HydrophobicContact CE2-CE3 3.71Å; F400-W427 HydrophobicContact CE2-CG 4.13Å; F400-W427 HydrophobicContact CE2-CH2 4.06Å; F400-W427 AromaticContact CE2-CZ2 3.92Å; F400-W427 HydrophobicContact CE2-CZ2 3.92Å; F400-W427 AromaticContact CE2-CZ3 3.95Å; F400-W427 HydrophobicContact CE2-CZ3 3.95Å; F400-W427 HydrophobicContact CZ-CD2 4.16Å; F400-W427 HydrophobicContact CZ-CG 4.23Å; F400-L446 HydrophobicContact CE1-CD1 3.87Å; F400-I449 HydrophobicContact CD1-CG2 4.43Å; F400-I449 HydrophobicContact CE1-CB 4.4Å; F400-I449 HydrophobicContact CE1-CD1 4.19Å; F400-I449 HydrophobicContact CE1-CG2 3.58Å; F400-I449 HydrophobicContact CZ-CD1 3.89Å; F400-I449 HydrophobicContact CZ-CG2 4.02Å; F400-A460 HydrophobicContact CD2-CB 3.97Å; F400-A460 HydrophobicContact CE2-CB 3.64Å; F400-A460 HydrophobicContact CZ-CB 4.15Å
401C98.1Very high94.3Very high0 Ų028.6 Ų28.60%014%0.138CC..Hα-helixtrans-58.6-45.6177.6-71.10000111.1Y239 L242 L397 P398 Y403 F404 Q405Y239-C401 HydrophobicContact CD1-CB 3.8Å; Y239-C401 HydrophobicContact CE1-CB 4.27Å; L242-C401 HydrophobicContact CD1-CB 4.26Å; L397-C401 PolarHBondContact O-N 2.76Å; L397-C401 PolarHBondContact O-SG 3.16Å; L397-C401 VanDerWaalsContact O-SG 3.39Å; P398-C401 PolarHBondContact O-N 2.69Å; C401-Y403 PolarHBondContact O-N 3.16Å; C401-F404 PolarHBondContact O-N 3.03Å; C401-Q405 WeakPolarHBondContact O-CB 3.43Å; C401-Q405 WeakPolarHBondContact O-CG 3.23Å; C401-Q405 PolarHBondContact O-N 3.38Å
402A97.8Very high93.5Very high0 Ų032.7 Ų32.70%016%0.159CC..Hα-helixtrans-58.3-49.3176.400000112.1F249 E252 I254 P398 F400 S406F249-A402 VanDerWaalsContact O-CA 3.26Å; F249-A402 WeakPolarHBondContact O-CA 3.35Å; F249-A402 VanDerWaalsContact O-CB 3.28Å; F249-A402 WeakPolarHBondContact O-CB 3.31Å; E252-A402 HydrophobicContact CB-CB 3.75Å; I254-A402 HydrophobicContact CD1-CB 4.41Å; I254-A402 HydrophobicContact CG1-CB 3.74Å; P398-A402 WeakPolarHBondContact O-CB 3.44Å; P398-A402 PolarHBondContact O-N 3.22Å; F400-A402 VanDerWaalsContact C-N 3.32Å; F400-A402 PolarHBondContact O-N 3.28Å; A402-S406 WeakPolarHBondContact O-CB 3.42Å; A402-S406 PolarHBondContact O-N 3.1Å
403Y96.5Very high92.7Very high11 Ų1136.7 Ų36.74%0.04319%0.187CC..Hα-helixtrans-61.3-47176.1-176.4-76000111.3I254 I378 D379 L382 V389 F391 Q399 F400 C401 Q405 S406 N407 W427I254-Y403 HydrophobicContact CG2-CD2 3.86Å; I254-Y403 HydrophobicContact CG2-CG 4.48Å; I378-Y403 HydrophobicContact CG2-CE2 3.94Å; D379-Y403 WeakPolarHBondContact OD1-CE2 3.21Å; D379-Y403 PolarHBondContact OD1-OH 3.24Å; D379-Y403 PolarHBondContact OD2-OH 2.72Å; L382-Y403 HydrophobicContact CD1-CD2 3.64Å; L382-Y403 HydrophobicContact CD1-CE2 3.63Å; V389-Y403 HydrophobicContact CG1-CE2 4.36Å; F391-Y403 HydrophobicContact CE2-CD1 4.26Å; F391-Y403 HydrophobicContact CE2-CD2 4.13Å; F391-Y403 AromaticContact CE2-CG 3.86Å; F391-Y403 HydrophobicContact CE2-CG 3.86Å; F391-Y403 AromaticContact CZ-CD2 3.89Å; F391-Y403 HydrophobicContact CZ-CD2 3.89Å; F391-Y403 AromaticContact CZ-CG 3.88Å; F391-Y403 HydrophobicContact CZ-CG 3.88Å; Q399-Y403 WeakPolarHBondContact O-CB 3.41Å; Q399-Y403 PolarHBondContact O-N 3.46Å; F400-Y403 PolarHBondContact O-N 3.23Å; C401-Y403 PolarHBondContact O-N 3.16Å; Y403-Q405 PolarHBondContact O-N 3.33Å; Y403-S406 PolarHBondContact O-N 2.95Å; Y403-N407 HydrophobicContact CD1-CB 4.43Å; Y403-N407 HydrophobicContact CE1-CB 4.2Å; Y403-N407 VanDerWaalsContact O-CB 3.25Å; Y403-N407 WeakPolarHBondContact O-CB 3.34Å; Y403-N407 PolarHBondContact O-N 3.16Å; Y403-W427 AromaticContact CD1-CH2 3.92Å; Y403-W427 HydrophobicContact CD1-CH2 3.92Å; Y403-W427 AromaticContact CD1-CZ2 3.54Å; Y403-W427 HydrophobicContact CD1-CZ2 3.54Å; Y403-W427 AromaticContact CE1-CH2 3.87Å; Y403-W427 HydrophobicContact CE1-CH2 3.87Å; Y403-W427 AromaticContact CE1-CZ2 3.51Å; Y403-W427 HydrophobicContact CE1-CZ2 3.51Å
404F96.5Very high91.4Very high13 Ų1338.3 Ų38.36%0.05720%0.197CC..Hα-helixtrans-59.5-49.1-177-173.8-78.5000110.9F400 C401 N407 Y408 N425 W427 D444 L446 I449F400-F404 HydrophobicContact CE1-CB 4.46Å; F400-F404 HydrophobicContact CE1-CD2 4.26Å; F400-F404 HydrophobicContact CE2-CD2 4.4Å; F400-F404 HydrophobicContact CZ-CB 4.38Å; F400-F404 AromaticContact CZ-CD2 3.73Å; F400-F404 HydrophobicContact CZ-CD2 3.73Å; F400-F404 HydrophobicContact CZ-CG 4.43Å; F400-F404 VanDerWaalsContact O-CB 3.22Å; F400-F404 WeakPolarHBondContact O-CB 3.31Å; F400-F404 PolarHBondContact O-N 3.11Å; C401-F404 PolarHBondContact O-N 3.03Å; F404-N407 PolarHBondContact O-N 2.81Å; F404-Y408 WeakPolarHBondContact O-CB 3.46Å; F404-Y408 PolarHBondContact O-N 3.18Å; F404-N425 VanDerWaalsContact CD1-ND2 3.31Å; F404-N425 WeakPolarHBondContact CD1-ND2 3.46Å; F404-N425 WeakPolarHBondContact CE1-ND2 3.32Å; F404-N425 WeakPolarHBondContact CE2-ND2 3.41Å; F404-N425 WeakPolarHBondContact CG-ND2 3.3Å; F404-N425 VanDerWaalsContact CZ-ND2 3.31Å; F404-N425 WeakPolarHBondContact CZ-ND2 3.22Å; F404-N425 PolarHBondContact O-ND2 3.43Å; F404-W427 AromaticContact CD2-CD1 3.72Å; F404-W427 AromaticContact CD2-NE1 3.46Å; F404-W427 AromaticContact CE2-CD1 3.65Å; F404-W427 AromaticContact CE2-NE1 3.79Å; F404-D444 WeakPolarHBondContact CZ-O 3.32Å; F404-L446 HydrophobicContact CB-CD1 4.44Å; F404-L446 HydrophobicContact CD1-CB 4.11Å; F404-L446 HydrophobicContact CD1-CD1 4.02Å; F404-L446 HydrophobicContact CD1-CD2 3.88Å; F404-L446 HydrophobicContact CD1-CG 4.22Å; F404-L446 HydrophobicContact CD2-CD1 4.35Å; F404-L446 HydrophobicContact CE1-CB 3.7Å; F404-L446 HydrophobicContact CE1-CD1 4.4Å; F404-L446 HydrophobicContact CE1-CD2 4.23Å; F404-L446 HydrophobicContact CE1-CG 4.32Å; F404-L446 HydrophobicContact CG-CD1 4.01Å; F404-L446 HydrophobicContact CZ-CB 4.01Å; F404-I449 HydrophobicContact CD2-CD1 4.31Å; F404-I449 HydrophobicContact CE2-CD1 3.83Å
405Q96.2Very high89.7Confident26 Ų2643.3 Ų43.312%0.12122%0.222CC..Hα-helixtrans-71.4-40.3179.9-68.6173-43.100111.8E247 F249 C401 Y403 N407 Y408 N409 L446E247-Q405 PolarHBondContact O-NE2 3.3Å; F249-Q405 VanDerWaalsContact CA-OE1 3.29Å; F249-Q405 VanDerWaalsContact CB-OE1 3.24Å; C401-Q405 WeakPolarHBondContact O-CB 3.43Å; C401-Q405 WeakPolarHBondContact O-CG 3.23Å; C401-Q405 PolarHBondContact O-N 3.38Å; Y403-Q405 PolarHBondContact O-N 3.33Å; Q405-N407 VanDerWaalsContact C-N 3.31Å; Q405-N407 PolarHBondContact O-N 3.43Å; Q405-Y408 WeakPolarHBondContact O-CB 3.46Å; Q405-Y408 PolarHBondContact O-N 3.37Å; Q405-N409 WeakPolarHBondContact O-CB 3.42Å; Q405-N409 VanDerWaalsContact O-CG 3.29Å; Q405-N409 PolarHBondContact O-N 3.05Å; Q405-L446 HydrophobicContact CG-CD2 4.19Å
406S93.1Very high88Confident23 Ų2344.4 Ų44.416%0.16123%0.229CC..Hα-helixtrans-58.6-43.4173.6-172.50000111.8A402 Y403 N409 K410A402-S406 WeakPolarHBondContact O-CB 3.42Å; A402-S406 PolarHBondContact O-N 3.1Å; Y403-S406 PolarHBondContact O-N 2.95Å; S406-N409 PolarHBondContact O-N 3.19Å; S406-K410 VanDerWaalsContact O-CG 3.31Å; S406-K410 WeakPolarHBondContact O-CG 3.17Å; S406-K410 PolarHBondContact O-N 3.08Å
407N91.1Very high85.9Confident32 Ų3252.5 Ų52.517%0.17127%0.267CS..Hα-helixtrans-66.2-43.8176.3-169.746000111.3Y403 F404 Q405 N409 K410 I411 N425Y403-N407 HydrophobicContact CD1-CB 4.43Å; Y403-N407 HydrophobicContact CE1-CB 4.2Å; Y403-N407 VanDerWaalsContact O-CB 3.25Å; Y403-N407 WeakPolarHBondContact O-CB 3.34Å; Y403-N407 PolarHBondContact O-N 3.16Å; F404-N407 PolarHBondContact O-N 2.81Å; Q405-N407 VanDerWaalsContact C-N 3.31Å; Q405-N407 PolarHBondContact O-N 3.43Å; N407-N409 VanDerWaalsContact C-N 3.34Å; N407-N409 PolarHBondContact O-N 2.94Å; N407-K410 WeakPolarHBondContact O-CB 3.41Å; N407-K410 PolarHBondContact O-N 3.45Å; N407-I411 WeakPolarHBondContact O-CD1 3.49Å; N407-I411 WeakPolarHBondContact O-CG1 3.41Å; N407-I411 PolarHBondContact O-N 3.26Å; N407-N425 PolarHBondContact ND2-OD1 3.01Å; N407-N425 VanDerWaalsContact ND2-OD1 3.13Å
408Y89.9Confident83.7Confident127 Ų12759 Ų5950%0.49831%0.309SS..Hα-helixtrans-55-48.6173.7-176.7-95.7000111.9F404 Q405 K410 I411 I412F404-Y408 WeakPolarHBondContact O-CB 3.46Å; F404-Y408 PolarHBondContact O-N 3.18Å; Q405-Y408 WeakPolarHBondContact O-CB 3.46Å; Q405-Y408 PolarHBondContact O-N 3.37Å; Y408-K410 VanDerWaalsContact C-N 3.32Å; Y408-K410 PolarHBondContact O-N 3.31Å; Y408-I411 WeakPolarHBondContact O-CB 3.32Å; Y408-I411 PolarHBondContact O-N 3.41Å; Y408-I411 VanDerWaalsContact O-N 3.09Å; Y408-I412 HydrophobicContact CD1-CD1 4.26Å; Y408-I412 HydrophobicContact CD1-CG2 4.3Å; Y408-I412 HydrophobicContact CE1-CD1 4.02Å; Y408-I412 HydrophobicContact CE1-CG2 3.86Å; Y408-I412 HydrophobicContact CE2-CG2 4.3Å; Y408-I412 PolarHBondContact O-N 3.06Å
409N89.3Confident81.2Confident57 Ų5760.4 Ų60.431%0.30533%0.328SS..Hα-helixtrans-60-39.9177.8-70.1-11.7000112.3S250 Q405 S406 N407 I412 S413S250-N409 WeakPolarHBondContact CB-ND2 3.42Å; S250-N409 PolarHBondContact OG-ND2 3.04Å; Q405-N409 WeakPolarHBondContact O-CB 3.42Å; Q405-N409 VanDerWaalsContact O-CG 3.29Å; Q405-N409 PolarHBondContact O-N 3.05Å; S406-N409 PolarHBondContact O-N 3.19Å; N407-N409 VanDerWaalsContact C-N 3.34Å; N407-N409 PolarHBondContact O-N 2.94Å; N409-I412 VanDerWaalsContact O-CG1 3.23Å; N409-I412 WeakPolarHBondContact O-CG1 3.48Å; N409-S413 VanDerWaalsContact O-CB 3.28Å; N409-S413 WeakPolarHBondContact O-CB 3.15Å; N409-S413 PolarHBondContact O-N 3.07Å; N409-S413 PolarHBondContact O-OG 3.19Å
410K85.6Confident78.7Confident90 Ų9065.4 Ų65.439%0.39135%0.345SS..Hα-helixtrans-64.4-40.4174.4-71.5170-172.2176.70112.3S406 N407 Y408 S413 T414 R423S406-K410 VanDerWaalsContact O-CG 3.31Å; S406-K410 WeakPolarHBondContact O-CG 3.17Å; S406-K410 PolarHBondContact O-N 3.08Å; N407-K410 WeakPolarHBondContact O-CB 3.41Å; N407-K410 PolarHBondContact O-N 3.45Å; Y408-K410 VanDerWaalsContact C-N 3.32Å; Y408-K410 PolarHBondContact O-N 3.31Å; K410-S413 PolarHBondContact O-OG 3.41Å; K410-T414 PolarHBondContact O-N 3.21Å; K410-T414 PolarHBondContact O-OG1 3.41Å; K410-R423 PolarHBondContact O-NH1 2.74Å
411I83.3Confident76.3Confident40 Ų4067.9 Ų67.921%0.20536%0.359CS..Hα-helixtrans-65.4-48.3-179.9-64.1161.4000110.3N407 Y408 T414 R423 N425N407-I411 WeakPolarHBondContact O-CD1 3.49Å; N407-I411 WeakPolarHBondContact O-CG1 3.41Å; N407-I411 PolarHBondContact O-N 3.26Å; Y408-I411 WeakPolarHBondContact O-CB 3.32Å; Y408-I411 PolarHBondContact O-N 3.41Å; Y408-I411 VanDerWaalsContact O-N 3.09Å; I411-T414 PolarHBondContact O-N 3.35Å; I411-T414 PolarHBondContact O-OG1 3.37Å; I411-R423 WeakPolarHBondContact CD1-O 3.23Å; I411-R423 HydrophobicContact CG1-CB 3.98Å; I411-R423 WeakPolarHBondContact CG1-O 3.46Å; I411-R423 HydrophobicContact CG2-CB 4.35Å; I411-R423 WeakPolarHBondContact CG2-O 3.28Å; I411-N425 HydrophobicContact CD1-CB 3.92Å
412I81.6Confident74.1Confident87 Ų8772 Ų7245%0.44638%0.381SS..Hα-helixtrans-69.2-33.3-179.666.1178.5000112.8Y408 N409 T414Y408-I412 HydrophobicContact CD1-CD1 4.26Å; Y408-I412 HydrophobicContact CD1-CG2 4.3Å; Y408-I412 HydrophobicContact CE1-CD1 4.02Å; Y408-I412 HydrophobicContact CE1-CG2 3.86Å; Y408-I412 HydrophobicContact CE2-CG2 4.3Å; Y408-I412 PolarHBondContact O-N 3.06Å; N409-I412 VanDerWaalsContact O-CG1 3.23Å; N409-I412 WeakPolarHBondContact O-CG1 3.48Å; I412-T414 VanDerWaalsContact C-N 3.26Å; I412-T414 PolarHBondContact O-N 3.14Å
413S79.3Confident72.4Confident88 Ų8876.3 Ų76.362%0.61540%0.397SS*.Hα-helixtrans-68.7-27-179.469.30000113N409 K410 N415N409-S413 VanDerWaalsContact O-CB 3.28Å; N409-S413 WeakPolarHBondContact O-CB 3.15Å; N409-S413 PolarHBondContact O-N 3.07Å; N409-S413 PolarHBondContact O-OG 3.19Å; K410-S413 PolarHBondContact O-OG 3.41Å; S413-N415 PolarHBondContact O-N 2.97Å
414T69.5Low71.3Confident35 Ų3578.6 Ų78.622%0.21541%0.408CS..SBendtrans-83.4105.7166.247.50000108K410 I411 I412 E416 R423K410-T414 PolarHBondContact O-N 3.21Å; K410-T414 PolarHBondContact O-OG1 3.41Å; I411-T414 PolarHBondContact O-N 3.35Å; I411-T414 PolarHBondContact O-OG1 3.37Å; I412-T414 VanDerWaalsContact C-N 3.26Å; I412-T414 PolarHBondContact O-N 3.14Å; T414-E416 PolarHBondContact O-N 3.15Å; T414-R423 PolarHBondContact OG1-NH1 3.39Å
415N56.7Low71.1Confident166 Ų16678.7 Ų78.789%0.88841%0.409SS*.  trans-61.429.7169.5-71.7-21.9000113.3S413S413-N415 PolarHBondContact O-N 2.97Å
416E57.5Low71Confident80 Ų8077.6 Ų77.637%0.37440%0.404SS..  trans-75.9142174.6-67.1-171.2179.300109.1T414 R420T414-E416 PolarHBondContact O-N 3.15Å; E416-R420 IonicContact OE1-NH1 3.43Å; E416-R420 PolarHBondContact OE1-NH1 3.29Å; E416-R420 WeakPolarHBondContact OE2-CD 3.37Å; E416-R420 IonicContact OE2-CZ 3.04Å; E416-R420 IonicContact OE2-NE 3.2Å; E416-R420 IonicContact OE2-NH1 3.59Å; E416-R420 PolarHBondContact OE2-NH1 3.49Å
417E53.1Low71.2Confident169 Ų16976.6 Ų76.679%0.7940%0.397SS*.  trans-55138.6-176.5-67.4-171.8166.100111.7G419 R420E417-G419 PolarHBondContact O-N 3.42Å; E417-R420 PolarHBondContact O-N 2.93Å
418P48.5Very low71.4Confident140 Ų14076.1 Ų76.191%0.90939%0.394SS*.THydrogen-bonded Turntrans-54.5111.8167.8-10.519000108.6
419G45.6Very low71.6Confident53 Ų5370.1 Ų70.155%0.54637%0.37SS..THydrogen-bonded Turntrans137.6-7.9-178.800000115.8E417 N421E417-G419 PolarHBondContact O-N 3.42Å; G419-N421 PolarHBondContact O-N 2.73Å
420R46Very low71.7Confident136 Ų13668.4 Ų68.451%0.51336%0.36SS..  trans-72.8111.4167.3-144.6-170.6155.6161.5-2.5109.3E416 E417 D422 R423E416-R420 IonicContact OE1-NH1 3.43Å; E416-R420 PolarHBondContact OE1-NH1 3.29Å; E416-R420 WeakPolarHBondContact OE2-CD 3.37Å; E416-R420 IonicContact OE2-CZ 3.04Å; E416-R420 IonicContact OE2-NE 3.2Å; E416-R420 IonicContact OE2-NH1 3.59Å; E416-R420 PolarHBondContact OE2-NH1 3.49Å; E417-R420 PolarHBondContact O-N 2.93Å; R420-D422 WeakPolarHBondContact CB-OD1 3.5Å; R420-D422 WeakPolarHBondContact CD-OD1 3.36Å; R420-D422 WeakPolarHBondContact CG-OD1 3.37Å; R420-D422 IonicContact CZ-OD2 2.9Å; R420-D422 IonicContact NE-OD1 2.77Å; R420-D422 PolarHBondContact NE-OD1 3.45Å; R420-D422 IonicContact NE-OD2 3.66Å; R420-D422 PolarHBondContact NE-OD2 3.39Å; R420-D422 IonicContact NH2-OD2 3.73Å; R420-D422 PolarHBondContact NH2-OD2 3.35Å; R420-D422 PolarHBondContact O-N 3.49Å; R420-R423 PolarHBondContact O-N 3.14Å
421N47.6Very low71.8Confident53 Ų5364.4 Ų64.428%0.28334%0.343SS..G310 helixtrans-53-20-173.5-72-8.1000115.4G419 R423 H424 T465 D466G419-N421 PolarHBondContact O-N 2.73Å; N421-R423 VanDerWaalsContact C-N 3.25Å; N421-R423 PolarHBondContact O-N 3.25Å; N421-H424 PolarHBondContact O-CD2 3.09Å; N421-T465 PolarHBondContact O-OG1 3.41Å; N421-D466 HydrophobicContact CB-CB 4.08Å; N421-D466 VanDerWaalsContact ND2-CG 3.34Å; N421-D466 PolarHBondContact ND2-OD1 3.38Å; N421-D466 VanDerWaalsContact ND2-OD1 3.13Å
422D51.7Low71.6Confident86 Ų8664.1 Ų64.146%0.4634%0.34SS..G310 helixtrans-803.4-174.946.7-2.1000114R420R420-D422 WeakPolarHBondContact CB-OD1 3.5Å; R420-D422 WeakPolarHBondContact CD-OD1 3.36Å; R420-D422 WeakPolarHBondContact CG-OD1 3.37Å; R420-D422 IonicContact CZ-OD2 2.9Å; R420-D422 IonicContact NE-OD1 2.77Å; R420-D422 PolarHBondContact NE-OD1 3.45Å; R420-D422 IonicContact NE-OD2 3.66Å; R420-D422 PolarHBondContact NE-OD2 3.39Å; R420-D422 IonicContact NH2-OD2 3.73Å; R420-D422 PolarHBondContact NH2-OD2 3.35Å; R420-D422 PolarHBondContact O-N 3.49Å
423R61.4Low71.1Confident90 Ų9064.2 Ų64.234%0.3434%0.341SS..G310 helixtrans-142.342.3-173.1-74.5-166.1-169.2-133.4-2.1115K410 I411 T414 R420 N421K410-R423 PolarHBondContact O-NH1 2.74Å; I411-R423 WeakPolarHBondContact CD1-O 3.23Å; I411-R423 HydrophobicContact CG1-CB 3.98Å; I411-R423 WeakPolarHBondContact CG1-O 3.46Å; I411-R423 HydrophobicContact CG2-CB 4.35Å; I411-R423 WeakPolarHBondContact CG2-O 3.28Å; T414-R423 PolarHBondContact OG1-NH1 3.39Å; R420-R423 PolarHBondContact O-N 3.14Å; N421-R423 VanDerWaalsContact C-N 3.25Å; N421-R423 PolarHBondContact O-N 3.25Å
424H74.1Confident70.4Confident60 Ų6061.1 Ų61.128%0.27832%0.318SS..  trans-93.5135.4170.1-62-80.3000111.2N421 L426 T465 L514N421-H424 PolarHBondContact O-CD2 3.09Å; H424-L426 HydrophobicContact CB-CB 4.14Å; H424-L426 PolarHBondContact O-N 3.33Å; H424-T465 HydrophobicContact CB-CG2 3.59Å; H424-L514 WeakPolarHBondContact NE2-CD1 3.46Å
425N91.6Very high70.1Confident14 Ų1461.3 Ų61.38%0.07533%0.327CS..  trans-90.348171.5-156.914.5000111.4F404 N407 I411 W427 D444F404-N425 VanDerWaalsContact CD1-ND2 3.31Å; F404-N425 WeakPolarHBondContact CD1-ND2 3.46Å; F404-N425 WeakPolarHBondContact CE1-ND2 3.32Å; F404-N425 WeakPolarHBondContact CE2-ND2 3.41Å; F404-N425 WeakPolarHBondContact CG-ND2 3.3Å; F404-N425 VanDerWaalsContact CZ-ND2 3.31Å; F404-N425 WeakPolarHBondContact CZ-ND2 3.22Å; F404-N425 PolarHBondContact O-ND2 3.43Å; N407-N425 PolarHBondContact ND2-OD1 3.01Å; N407-N425 VanDerWaalsContact ND2-OD1 3.13Å; I411-N425 HydrophobicContact CD1-CB 3.92Å; N425-W427 PolarHBondContact OD1-NE1 3.02Å; N425-D444 WeakPolarHBondContact O-CA 3.38Å; N425-D444 WeakPolarHBondContact O-CB 3.4Å
426L94.9Very high70.3Confident4 Ų461 Ų612%0.02131%0.313CS..  trans-99.5129.6-170.7-172.264.9000110.9H424 I442 D444 Y463 T465 L514 F517H424-L426 HydrophobicContact CB-CB 4.14Å; H424-L426 PolarHBondContact O-N 3.33Å; L426-I442 HydrophobicContact CD1-CG2 3.92Å; L426-I442 HydrophobicContact CD2-CG2 4.25Å; L426-I442 HydrophobicContact CG-CG2 4.05Å; L426-D444 HydrophobicContact CD1-CB 4.04Å; L426-Y463 HydrophobicContact CD2-CD1 3.41Å; L426-Y463 VanDerWaalsContact CD2-CD1 3.41Å; L426-Y463 HydrophobicContact CD2-CE1 4.05Å; L426-Y463 HydrophobicContact CD2-CG 4.11Å; L426-Y463 HydrophobicContact CG-CD1 4.05Å; L426-Y463 HydrophobicContact CG-CG 4.27Å; L426-Y463 WeakPolarHBondContact O-CB 3.29Å; L426-Y463 PolarHBondContact O-N 3Å; L426-T465 HydrophobicContact CB-CG2 4.35Å; L426-T465 HydrophobicContact CD2-CG2 4.32Å; L426-L514 HydrophobicContact CD2-CD2 4.39Å; L426-F517 HydrophobicContact CD1-CD1 4.26Å; L426-F517 HydrophobicContact CD1-CD2 4.15Å; L426-F517 HydrophobicContact CD1-CE1 3.93Å; L426-F517 HydrophobicContact CD1-CE2 3.8Å; L426-F517 HydrophobicContact CD1-CG 4.38Å; L426-F517 HydrophobicContact CD1-CZ 3.68Å; L426-F517 HydrophobicContact CD2-CD1 4.1Å; L426-F517 HydrophobicContact CD2-CE1 3.3Å; L426-F517 HydrophobicContact CD2-CE2 4.46Å; L426-F517 HydrophobicContact CD2-CZ 3.53Å; L426-F517 HydrophobicContact CG-CE1 4.26Å; L426-F517 HydrophobicContact CG-CZ 4.28Å
427W96.7Very high70.3Confident2 Ų257.8 Ų57.81%0.00830%0.301CS..EExtended strand (participates in β ladder)trans-125146.4-173.1-66.284.6000111.6V389 F391 F400 Y403 F404 N425 I442 T443 A460 R462V389-W427 HydrophobicContact CG1-CH2 4.32Å; F391-W427 AromaticContact CD2-CH2 3.88Å; F391-W427 HydrophobicContact CD2-CH2 3.88Å; F391-W427 AromaticContact CD2-CZ3 3.97Å; F391-W427 HydrophobicContact CD2-CZ3 3.97Å; F391-W427 AromaticContact CE2-CH2 3.79Å; F391-W427 HydrophobicContact CE2-CH2 3.79Å; F391-W427 HydrophobicContact CE2-CZ3 4.33Å; F400-W427 HydrophobicContact CD2-CH2 4.39Å; F400-W427 HydrophobicContact CD2-CZ3 4.37Å; F400-W427 AromaticContact CE2-CD2 3.59Å; F400-W427 HydrophobicContact CE2-CD2 3.59Å; F400-W427 AromaticContact CE2-CE2 3.68Å; F400-W427 AromaticContact CE2-CE3 3.71Å; F400-W427 HydrophobicContact CE2-CE3 3.71Å; F400-W427 HydrophobicContact CE2-CG 4.13Å; F400-W427 HydrophobicContact CE2-CH2 4.06Å; F400-W427 AromaticContact CE2-CZ2 3.92Å; F400-W427 HydrophobicContact CE2-CZ2 3.92Å; F400-W427 AromaticContact CE2-CZ3 3.95Å; F400-W427 HydrophobicContact CE2-CZ3 3.95Å; F400-W427 HydrophobicContact CZ-CD2 4.16Å; F400-W427 HydrophobicContact CZ-CG 4.23Å; Y403-W427 AromaticContact CD1-CH2 3.92Å; Y403-W427 HydrophobicContact CD1-CH2 3.92Å; Y403-W427 AromaticContact CD1-CZ2 3.54Å; Y403-W427 HydrophobicContact CD1-CZ2 3.54Å; Y403-W427 AromaticContact CE1-CH2 3.87Å; Y403-W427 HydrophobicContact CE1-CH2 3.87Å; Y403-W427 AromaticContact CE1-CZ2 3.51Å; Y403-W427 HydrophobicContact CE1-CZ2 3.51Å; F404-W427 AromaticContact CD2-CD1 3.72Å; F404-W427 AromaticContact CD2-NE1 3.46Å; F404-W427 AromaticContact CE2-CD1 3.65Å; F404-W427 AromaticContact CE2-NE1 3.79Å; N425-W427 PolarHBondContact OD1-NE1 3.02Å; W427-I442 CarbonylContact O-C 3.56Å; W427-I442 VanDerWaalsContact O-CA 3.27Å; W427-I442 WeakPolarHBondContact O-CA 3.39Å; W427-T443 PolarHBondContact N-O 3.25Å; W427-T443 PolarHBondContact O-N 2.85Å; W427-A460 HydrophobicContact CE3-CB 3.83Å; W427-A460 HydrophobicContact CZ3-CB 4.39Å; W427-A460 WeakPolarHBondContact CZ3-O 3.38Å; W427-R462 HydrophobicContact CH2-CB 4.49Å; W427-R462 HydrophobicContact CZ3-CB 4.29Å
428I95.3Very high71Confident22 Ų2253.3 Ų53.311%0.11329%0.285CS..EExtended strand (participates in β ladder)trans-109.1114.1169.1-179.6168000109.1K430 I440 V441 I442 S461 Y463I428-K430 HydrophobicContact CG1-CG 4.16Å; I428-I440 HydrophobicContact CD1-CG2 3.58Å; I428-I440 HydrophobicContact CG1-CG2 3.41Å; I428-I440 VanDerWaalsContact CG1-CG2 3.41Å; I428-V441 CarbonylContact C-O 3.56Å; I428-V441 WeakPolarHBondContact CA-O 3.35Å; I428-I442 HydrophobicContact CB-CG1 4.1Å; I428-I442 HydrophobicContact CD1-CD1 4.4Å; I428-I442 HydrophobicContact CD1-CG1 4.13Å; I428-I442 HydrophobicContact CG1-CG1 3.96Å; I428-S461 VanDerWaalsContact CG2-O 3.28Å; I428-S461 WeakPolarHBondContact CG2-O 3.32Å; I428-S461 PolarHBondContact N-O 3.31Å; I428-S461 PolarHBondContact O-N 2.93Å; I428-Y463 HydrophobicContact CB-CD2 3.97Å; I428-Y463 HydrophobicContact CD1-CD2 4.42Å; I428-Y463 HydrophobicContact CG2-CD2 4.16Å
429L94.7Very high72.3Confident0 Ų048.6 Ų48.60%026%0.263CS..EExtended strand (participates in β ladder)trans-85.8125.3175.4-48.8-177.1000109.1L393 I440 V441 I449 T452 M458 I459 A460L393-L429 HydrophobicContact CD1-CD2 4.05Å; L429-I440 VanDerWaalsContact O-CA 3.31Å; L429-I440 WeakPolarHBondContact O-CA 3.25Å; L429-I440 WeakPolarHBondContact O-CG2 3.46Å; L429-V441 HydrophobicContact CB-CB 4.18Å; L429-V441 HydrophobicContact CD1-CB 4.19Å; L429-V441 HydrophobicContact CD1-CG1 4.2Å; L429-V441 HydrophobicContact CG-CB 4.35Å; L429-V441 PolarHBondContact N-O 2.77Å; L429-V441 PolarHBondContact O-N 3.48Å; L429-V441 VanDerWaalsContact O-N 3.16Å; L429-I449 HydrophobicContact CD1-CB 4.22Å; L429-I449 HydrophobicContact CD1-CG1 4.01Å; L429-I449 HydrophobicContact CD1-CG2 4.07Å; L429-I449 HydrophobicContact CD2-CG1 4.23Å; L429-I449 HydrophobicContact CD2-CG2 3.91Å; L429-I449 HydrophobicContact CG-CG1 4.47Å; L429-T452 HydrophobicContact CD1-CG2 3.98Å; L429-M458 HydrophobicContact CB-CE 3.52Å; L429-I459 CarbonylContact C-O 3.58Å; L429-I459 VanDerWaalsContact CA-O 3.28Å; L429-I459 WeakPolarHBondContact CA-O 3.47Å; L429-A460 HydrophobicContact CD2-CB 3.59Å
430K91.8Very high74.2Confident22 Ų2248 Ų4810%0.09625%0.246CC..EExtended strand (participates in β ladder)trans-121.7128.8178.2-56175.9-174.5168.40109.9K351 I428 I440 M458 I459 C619K351-K430 HydrophobicContact CD-CB 4.35Å; K351-K430 HydrophobicContact CD-CD 4.38Å; I428-K430 HydrophobicContact CG1-CG 4.16Å; K430-I440 HydrophobicContact CG-CD1 4.34Å; K430-M458 WeakPolarHBondContact O-CA 3.39Å; K430-I459 HydrophobicContact CB-CD1 4.22Å; K430-I459 HydrophobicContact CB-CG1 3.81Å; K430-I459 HydrophobicContact CD-CD1 4.37Å; K430-I459 PolarHBondContact N-O 3.48Å; K430-I459 WeakPolarHBondContact O-CG1 3.46Å; K430-I459 PolarHBondContact O-N 3.11Å; K430-C619 PolarHBondContact NZ-O 2.94Å
431P87.4Confident76.3Confident6 Ų642.4 Ų42.44%0.03923%0.227CC..EExtended strand (participates in β ladder)trans-67.5148.7171.928.4-35.8000111.1L434 P457 M458P431-L434 HydrophobicContact CB-CB 4.18Å; P431-L434 HydrophobicContact CB-CD1 4.17Å; P431-L434 HydrophobicContact CB-CG 4.31Å; P431-L434 HydrophobicContact CG-CB 3.6Å; P431-L434 HydrophobicContact CG-CD1 3.97Å; P431-L434 HydrophobicContact CG-CG 4.16Å; P431-P457 WeakPolarHBondContact CA-O 3.45Å; P431-M458 VanDerWaalsContact CA-SD 3.54Å; P431-M458 HydrophobicContact CB-SD 3.81Å
432W79.9Confident78.5Confident33 Ų3339.9 Ų39.913%0.12521%0.214CC..SBendtrans-60.3-50.3179.8-666.3000111.9K351 N392 V394 Y395 P457 M458K351-W432 PolarHBondContact NZ-O 3.35Å; N392-W432 WeakPolarHBondContact ND2-CZ2 3.28Å; N392-W432 VanDerWaalsContact OD1-CZ2 3.22Å; N392-W432 WeakPolarHBondContact OD1-CZ2 3.19Å; V394-W432 HydrophobicContact CB-CH2 4.07Å; V394-W432 HydrophobicContact CB-CZ2 3.73Å; V394-W432 HydrophobicContact CG1-CH2 4.29Å; V394-W432 HydrophobicContact CG1-CZ2 4.44Å; V394-W432 HydrophobicContact CG2-CH2 3.89Å; V394-W432 HydrophobicContact CG2-CZ2 3.41Å; V394-W432 VanDerWaalsContact CG2-CZ2 3.41Å; Y395-W432 HydrophobicContact CD2-CH2 4.45Å; Y395-W432 HydrophobicContact CD2-CZ2 4.47Å; Y395-W432 AromaticContact CE2-CH2 3.63Å; Y395-W432 HydrophobicContact CE2-CH2 3.63Å; Y395-W432 HydrophobicContact CE2-CZ2 4.07Å; W432-P457 HydrophobicContact CD2-CB 3.51Å; W432-P457 HydrophobicContact CE3-CB 3.83Å; W432-P457 HydrophobicContact CG-CB 3.86Å; W432-P457 HydrophobicContact CH2-CB 4.26Å; W432-P457 HydrophobicContact CZ2-CB 3.97Å; W432-P457 HydrophobicContact CZ3-CB 4.2Å; W432-P457 PolarHBondContact N-O 3.07Å; W432-M458 PolarHBondContact NE1-O 3.31Å
433N70.7Confident80.5Confident89 Ų8936.1 Ų36.148%0.47619%0.194SC..SBendtrans-105-6.4-165.2-59.5-31.9000115.1E170E170-N433 PolarHBondContact OE1-ND2 2.85Å
434L63.8Low82Confident23 Ų2336.4 Ų36.412%0.1220%0.202CC..  trans-92.5153.5176.1-58.5170.4000111.3E170 K351 P431 V438E170-L434 HydrophobicContact CB-CD1 4.08Å; E170-L434 HydrophobicContact CB-CD2 3.62Å; E170-L434 HydrophobicContact CB-CG 3.84Å; K351-L434 PolarHBondContact NZ-O 3.43Å; P431-L434 HydrophobicContact CB-CB 4.18Å; P431-L434 HydrophobicContact CB-CD1 4.17Å; P431-L434 HydrophobicContact CB-CG 4.31Å; P431-L434 HydrophobicContact CG-CB 3.6Å; P431-L434 HydrophobicContact CG-CD1 3.97Å; P431-L434 HydrophobicContact CG-CG 4.16Å; L434-V438 HydrophobicContact CD1-CG1 4.24Å
435G63.4Low82.9Confident40 Ų4034.6 Ų34.641%0.41219%0.194SC..  trans-127.6-175.7177.500000112.2G437 V438G435-G437 VanDerWaalsContact C-N 3.26Å; G435-G437 PolarHBondContact O-N 2.65Å; G435-V438 WeakPolarHBondContact O-CB 3.35Å; G435-V438 WeakPolarHBondContact O-CG2 3.4Å; G435-V438 PolarHBondContact O-N 3.13Å; G435-V438 VanDerWaalsContact O-N 3.16Å
436R60.2Low83.1Confident160 Ų16034.8 Ų34.860%0.60420%0.196SC*.THydrogen-bonded Turntrans59.531171.7-50.9177.8-176.6174.7-0.5114.7V438 Y529R436-V438 PolarHBondContact O-N 2.99Å; R436-Y529 HydrophobicContact CB-CD2 4.19Å; R436-Y529 HydrophobicContact CG-CD2 4.09Å; R436-Y529 HydrophobicContact CG-CE2 4.11Å
437G57.8Low83.2Confident12 Ų1236 Ų3612%0.12420%0.202CC..THydrogen-bonded Turntrans73.29.2179.700000114.9G435G435-G437 VanDerWaalsContact C-N 3.26Å; G435-G437 PolarHBondContact O-N 2.65Å
438V67.9Low83.1Confident74 Ų7436.7 Ų36.745%0.44821%0.205SC..THydrogen-bonded Turntrans-77.3131.6177.7-176.40000109.6L434 G435 R436 I440L434-V438 HydrophobicContact CD1-CG1 4.24Å; G435-V438 WeakPolarHBondContact O-CB 3.35Å; G435-V438 WeakPolarHBondContact O-CG2 3.4Å; G435-V438 PolarHBondContact O-N 3.13Å; G435-V438 VanDerWaalsContact O-N 3.16Å; R436-V438 PolarHBondContact O-N 2.99Å; V438-I440 PolarHBondContact O-N 3.07Å
439G76.6Confident83.1Confident42 Ų4235.7 Ų35.743%0.43320%0.199SC..THydrogen-bonded Turntrans72.97.8178.700000115
440I84.6Confident83.1Confident40 Ų4035.7 Ų35.721%0.20520%0.199CC..  trans-76.8135.7174.9-58.6-171000109.4I428 L429 K430 V438 Y524I428-I440 HydrophobicContact CD1-CG2 3.58Å; I428-I440 HydrophobicContact CG1-CG2 3.41Å; I428-I440 VanDerWaalsContact CG1-CG2 3.41Å; L429-I440 VanDerWaalsContact O-CA 3.31Å; L429-I440 WeakPolarHBondContact O-CA 3.25Å; L429-I440 WeakPolarHBondContact O-CG2 3.46Å; K430-I440 HydrophobicContact CG-CD1 4.34Å; V438-I440 PolarHBondContact O-N 3.07Å; I440-Y524 HydrophobicContact CB-CE1 3.75Å; I440-Y524 WeakPolarHBondContact CB-OH 3.36Å; I440-Y524 HydrophobicContact CD1-CE1 4.08Å; I440-Y524 HydrophobicContact CG1-CE1 4.42Å; I440-Y524 HydrophobicContact CG2-CE1 3.65Å; I440-Y524 WeakPolarHBondContact CG2-OH 3.44Å; I440-Y524 PolarHBondContact O-OH 3.43Å
441V89.2Confident83.1Confident18 Ų1835 Ų3511%0.10920%0.197CC..EExtended strand (participates in β ladder)trans-123.6134.9176.1169.50000108.3I428 L429 T443 T452I428-V441 CarbonylContact C-O 3.56Å; I428-V441 WeakPolarHBondContact CA-O 3.35Å; L429-V441 HydrophobicContact CB-CB 4.18Å; L429-V441 HydrophobicContact CD1-CB 4.19Å; L429-V441 HydrophobicContact CD1-CG1 4.2Å; L429-V441 HydrophobicContact CG-CB 4.35Å; L429-V441 PolarHBondContact N-O 2.77Å; L429-V441 PolarHBondContact O-N 3.48Å; L429-V441 VanDerWaalsContact O-N 3.16Å; V441-T443 HydrophobicContact CG1-CG2 3.9Å; V441-T452 HydrophobicContact CG2-CG2 4.4Å
442I93.8Very high83.2Confident1 Ų135.5 Ų35.51%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-114.4123170.8-60.7164.5000107L426 W427 I428 Y463 F517 H523 Y524L426-I442 HydrophobicContact CD1-CG2 3.92Å; L426-I442 HydrophobicContact CD2-CG2 4.25Å; L426-I442 HydrophobicContact CG-CG2 4.05Å; W427-I442 CarbonylContact O-C 3.56Å; W427-I442 VanDerWaalsContact O-CA 3.27Å; W427-I442 WeakPolarHBondContact O-CA 3.39Å; I428-I442 HydrophobicContact CB-CG1 4.1Å; I428-I442 HydrophobicContact CD1-CD1 4.4Å; I428-I442 HydrophobicContact CD1-CG1 4.13Å; I428-I442 HydrophobicContact CG1-CG1 3.96Å; I442-Y463 HydrophobicContact CD1-CD2 4.12Å; I442-Y463 HydrophobicContact CD1-CE2 3.57Å; I442-Y463 HydrophobicContact CG1-CD2 4.22Å; I442-Y463 HydrophobicContact CG1-CE2 4.17Å; I442-Y463 HydrophobicContact CG2-CD1 4.49Å; I442-Y463 HydrophobicContact CG2-CD2 4.13Å; I442-Y463 HydrophobicContact CG2-CE2 4.36Å; I442-Y463 HydrophobicContact CG2-CG 4.17Å; I442-F517 HydrophobicContact CB-CB 4.04Å; I442-F517 HydrophobicContact CG2-CB 4.04Å; I442-F517 HydrophobicContact CG2-CD1 3.66Å; I442-F517 HydrophobicContact CG2-CE1 4.4Å; I442-F517 HydrophobicContact CG2-CG 3.98Å; I442-F517 VanDerWaalsContact O-CB 3.29Å; I442-F517 WeakPolarHBondContact O-CB 3.35Å; I442-H523 HydrophobicContact CD1-CB 3.59Å; I442-Y524 HydrophobicContact CD1-CE2 4.16Å
443T93.7Very high83.5Confident7 Ų734.7 Ų34.74%0.04320%0.198CC..EExtended strand (participates in β ladder)trans-163.8152.8-176.6-170.10000112.3W427 V441 N445 R448 I449W427-T443 PolarHBondContact N-O 3.25Å; W427-T443 PolarHBondContact O-N 2.85Å; V441-T443 HydrophobicContact CG1-CG2 3.9Å; T443-N445 WeakPolarHBondContact OG1-CB 3.3Å; T443-N445 PolarHBondContact OG1-N 2.72Å; T443-R448 HydrophobicContact CG2-CB 4.39Å; T443-R448 HydrophobicContact CG2-CG 4.21Å; T443-I449 HydrophobicContact CG2-CD1 4.05Å; T443-I449 HydrophobicContact CG2-CG1 3.5Å; T443-I449 VanDerWaalsContact CG2-CG1 3.5Å
444D93.4Very high84.1Confident95 Ų9531.5 Ų31.551%0.50818%0.181SC..SBendtrans-109.314.3169.662.9-14.3000111.4F404 N425 L426F404-D444 WeakPolarHBondContact CZ-O 3.32Å; N425-D444 WeakPolarHBondContact O-CA 3.38Å; N425-D444 WeakPolarHBondContact O-CB 3.4Å; L426-D444 HydrophobicContact CD1-CB 4.04Å
445N94.1Very high84.7Confident22 Ų2230.9 Ų30.912%0.11818%0.181CC..  trans-100.5110.3-179.9-177.5-36.6000109.5K145 T443 D447 R448 I449K145-N445 PolarHBondContact O-ND2 2.97Å; T443-N445 WeakPolarHBondContact OG1-CB 3.3Å; T443-N445 PolarHBondContact OG1-N 2.72Å; N445-D447 VanDerWaalsContact C-N 3.31Å; N445-D447 PolarHBondContact O-N 2.85Å; N445-D447 WeakPolarHBondContact OD1-CA 3.44Å; N445-D447 VanDerWaalsContact OD1-CB 3.29Å; N445-D447 WeakPolarHBondContact OD1-CB 3.31Å; N445-D447 PolarHBondContact OD1-N 2.7Å; N445-R448 HydrophobicContact CB-CB 3.9Å; N445-R448 WeakPolarHBondContact O-CB 3.28Å; N445-R448 PolarHBondContact O-N 2.81Å; N445-R448 PolarHBondContact OD1-N 3.22Å; N445-I449 WeakPolarHBondContact O-CD1 3.23Å; N445-I449 VanDerWaalsContact O-CG1 3.31Å; N445-I449 WeakPolarHBondContact O-CG1 3.24Å; N445-I449 PolarHBondContact O-N 2.94Å
446L96Very high85.4Confident19 Ų1930.6 Ų30.610%0.09917%0.17CC..Hα-helixtrans-60.4-41-178.4-17354.6000111.9L242 F400 F404 Q405 R448 I449 I450L242-L446 HydrophobicContact CD1-CD2 4.09Å; F400-L446 HydrophobicContact CE1-CD1 3.87Å; F404-L446 HydrophobicContact CB-CD1 4.44Å; F404-L446 HydrophobicContact CD1-CB 4.11Å; F404-L446 HydrophobicContact CD1-CD1 4.02Å; F404-L446 HydrophobicContact CD1-CD2 3.88Å; F404-L446 HydrophobicContact CD1-CG 4.22Å; F404-L446 HydrophobicContact CD2-CD1 4.35Å; F404-L446 HydrophobicContact CE1-CB 3.7Å; F404-L446 HydrophobicContact CE1-CD1 4.4Å; F404-L446 HydrophobicContact CE1-CD2 4.23Å; F404-L446 HydrophobicContact CE1-CG 4.32Å; F404-L446 HydrophobicContact CG-CD1 4.01Å; F404-L446 HydrophobicContact CZ-CB 4.01Å; Q405-L446 HydrophobicContact CG-CD2 4.19Å; L446-R448 VanDerWaalsContact C-N 3.34Å; L446-R448 PolarHBondContact O-N 2.92Å; L446-I449 WeakPolarHBondContact O-CB 3.38Å; L446-I449 PolarHBondContact O-N 2.97Å; L446-I449 VanDerWaalsContact O-N 3.1Å; L446-I450 HydrophobicContact CD1-CD1 4.05Å; L446-I450 HydrophobicContact CD1-CG1 4.31Å; L446-I450 HydrophobicContact CG-CD1 3.82Å; L446-I450 WeakPolarHBondContact O-CG1 3.36Å; L446-I450 PolarHBondContact O-N 3.02Å
447D95.3Very high86.8Confident29 Ų2925.5 Ų25.516%0.15516%0.157CC..Hα-helixtrans-59.9-47178.4-53.8-8.6000110.4W148 K149 P243 N445 I449 I450 K451W148-D447 HydrophobicContact CB-CB 3.87Å; K149-D447 WeakPolarHBondContact CE-OD2 3.47Å; P243-D447 HydrophobicContact CB-CB 3.99Å; P243-D447 HydrophobicContact CG-CB 4.2Å; N445-D447 VanDerWaalsContact C-N 3.31Å; N445-D447 PolarHBondContact O-N 2.85Å; N445-D447 WeakPolarHBondContact OD1-CA 3.44Å; N445-D447 VanDerWaalsContact OD1-CB 3.29Å; N445-D447 WeakPolarHBondContact OD1-CB 3.31Å; N445-D447 PolarHBondContact OD1-N 2.7Å; D447-I449 VanDerWaalsContact C-N 3.29Å; D447-I449 PolarHBondContact O-N 3.43Å; D447-I450 PolarHBondContact O-N 2.85Å; D447-K451 WeakPolarHBondContact O-CB 3.32Å; D447-K451 VanDerWaalsContact O-CG 3.3Å; D447-K451 WeakPolarHBondContact O-CG 3.38Å; D447-K451 PolarHBondContact O-N 2.82Å
448R94.4Very high88.4Confident17 Ų1725 Ų256%0.06415%0.152CC..Hα-helixtrans-58.5-42.1175.3-178.1172.6175.8177.6-3.8111.6W148 T443 N445 L446 T452 D518W148-R448 HydrophobicContact CD2-CB 3.71Å; W148-R448 HydrophobicContact CD2-CG 3.8Å; W148-R448 VanDerWaalsContact CE2-CG 3.46Å; W148-R448 HydrophobicContact CE3-CB 4.36Å; W148-R448 HydrophobicContact CE3-CG 4.14Å; W148-R448 HydrophobicContact CG-CB 3.84Å; W148-R448 HydrophobicContact CG-CG 4.45Å; W148-R448 HydrophobicContact CH2-CG 3.88Å; W148-R448 HydrophobicContact CZ2-CB 4.24Å; W148-R448 HydrophobicContact CZ2-CG 3.52Å; W148-R448 HydrophobicContact CZ3-CG 4.18Å; T443-R448 HydrophobicContact CG2-CB 4.39Å; T443-R448 HydrophobicContact CG2-CG 4.21Å; N445-R448 HydrophobicContact CB-CB 3.9Å; N445-R448 WeakPolarHBondContact O-CB 3.28Å; N445-R448 PolarHBondContact O-N 2.81Å; N445-R448 PolarHBondContact OD1-N 3.22Å; L446-R448 VanDerWaalsContact C-N 3.34Å; L446-R448 PolarHBondContact O-N 2.92Å; R448-T452 WeakPolarHBondContact O-CB 3.37Å; R448-T452 PolarHBondContact O-N 2.94Å; R448-T452 PolarHBondContact O-OG1 3.19Å; R448-D518 IonicContact CZ-OD1 2.64Å; R448-D518 IonicContact CZ-OD2 3.47Å; R448-D518 IonicContact NH1-OD1 3.54Å; R448-D518 PolarHBondContact NH1-OD1 2.99Å; R448-D518 IonicContact NH1-OD2 3.71Å; R448-D518 PolarHBondContact NH1-OD2 3.01Å; R448-D518 IonicContact NH2-OD1 3.75Å; R448-D518 PolarHBondContact NH2-OD1 2.85Å; R448-D518 IonicContact NH2-OD2 3.41Å
449I95.8Very high89.7Confident0 Ų021.6 Ų21.60%013%0.131CC..Hα-helixtrans-62.4-50.5-180-66.5156.5000110.1L393 F400 F404 L429 T443 N445 L446 D447 T452 C453L393-I449 HydrophobicContact CD1-CG2 3.88Å; F400-I449 HydrophobicContact CD1-CG2 4.43Å; F400-I449 HydrophobicContact CE1-CB 4.4Å; F400-I449 HydrophobicContact CE1-CD1 4.19Å; F400-I449 HydrophobicContact CE1-CG2 3.58Å; F400-I449 HydrophobicContact CZ-CD1 3.89Å; F400-I449 HydrophobicContact CZ-CG2 4.02Å; F404-I449 HydrophobicContact CD2-CD1 4.31Å; F404-I449 HydrophobicContact CE2-CD1 3.83Å; L429-I449 HydrophobicContact CD1-CB 4.22Å; L429-I449 HydrophobicContact CD1-CG1 4.01Å; L429-I449 HydrophobicContact CD1-CG2 4.07Å; L429-I449 HydrophobicContact CD2-CG1 4.23Å; L429-I449 HydrophobicContact CD2-CG2 3.91Å; L429-I449 HydrophobicContact CG-CG1 4.47Å; T443-I449 HydrophobicContact CG2-CD1 4.05Å; T443-I449 HydrophobicContact CG2-CG1 3.5Å; T443-I449 VanDerWaalsContact CG2-CG1 3.5Å; N445-I449 WeakPolarHBondContact O-CD1 3.23Å; N445-I449 VanDerWaalsContact O-CG1 3.31Å; N445-I449 WeakPolarHBondContact O-CG1 3.24Å; N445-I449 PolarHBondContact O-N 2.94Å; L446-I449 WeakPolarHBondContact O-CB 3.38Å; L446-I449 PolarHBondContact O-N 2.97Å; L446-I449 VanDerWaalsContact O-N 3.1Å; D447-I449 VanDerWaalsContact C-N 3.29Å; D447-I449 PolarHBondContact O-N 3.43Å; I449-T452 WeakPolarHBondContact O-CB 3.29Å; I449-T452 PolarHBondContact O-N 2.71Å; I449-C453 PolarHBondContact O-N 3.33Å; I449-C453 VanDerWaalsContact O-N 3.16Å; I449-C453 PolarHBondContact O-SG 2.95Å
450I95.1Very high90.7Very high0 Ų019.6 Ų19.60%011%0.11CC..Hα-helixtrans-61.6-48.3-179.2-66.8163.6000110.5Y239 Y240 L242 P243 L446 D447 T452 C453 D454Y239-I450 WeakPolarHBondContact O-CD1 3.34Å; Y240-I450 HydrophobicContact CD1-CG2 4.12Å; L242-I450 HydrophobicContact CB-CD1 3.57Å; L242-I450 HydrophobicContact CD1-CD1 3.71Å; L242-I450 HydrophobicContact CG-CD1 4.27Å; P243-I450 HydrophobicContact CG-CB 4.34Å; P243-I450 HydrophobicContact CG-CG2 4.15Å; L446-I450 HydrophobicContact CD1-CD1 4.05Å; L446-I450 HydrophobicContact CD1-CG1 4.31Å; L446-I450 HydrophobicContact CG-CD1 3.82Å; L446-I450 WeakPolarHBondContact O-CG1 3.36Å; L446-I450 PolarHBondContact O-N 3.02Å; D447-I450 PolarHBondContact O-N 2.85Å; I450-T452 VanDerWaalsContact C-N 3.26Å; I450-T452 PolarHBondContact O-N 2.77Å; I450-C453 WeakPolarHBondContact O-CB 3.42Å; I450-C453 PolarHBondContact O-N 3.41Å; I450-D454 PolarHBondContact O-N 3.43Å
451K92.4Very high91.3Very high9 Ų917.7 Ų17.74%0.03910%0.101CC..Hα-helixtrans-58.6-38.6176.5-68.4-49.6-59.8155.10112.2W148 W176 P243 W244 D447 C453 D454W148-K451 HydrophobicContact CB-CG 4.19Å; W148-K451 HydrophobicContact CE3-CB 4.22Å; W148-K451 WeakPolarHBondContact O-CG 3.39Å; W176-K451 HydrophobicContact CH2-CB 4.09Å; W176-K451 WeakPolarHBondContact CH2-O 3.38Å; W176-K451 HydrophobicContact CZ3-CB 4.13Å; P243-K451 HydrophobicContact CG-CD 4.23Å; P243-K451 HydrophobicContact CG-CG 4.45Å; W244-K451 HydrophobicContact CH2-CD 3.8Å; W244-K451 HydrophobicContact CZ2-CD 4.44Å; W244-K451 HydrophobicContact CZ3-CD 4.41Å; D447-K451 WeakPolarHBondContact O-CB 3.32Å; D447-K451 VanDerWaalsContact O-CG 3.3Å; D447-K451 WeakPolarHBondContact O-CG 3.38Å; D447-K451 PolarHBondContact O-N 2.82Å; K451-C453 VanDerWaalsContact C-N 3.26Å; K451-C453 PolarHBondContact O-N 2.84Å; K451-D454 IonicContact NZ-OD2 2.89Å; K451-D454 PolarHBondContact NZ-OD2 2.9Å; K451-D454 WeakPolarHBondContact O-CB 3.41Å; K451-D454 PolarHBondContact O-N 3.49Å
452T89.5Confident91.6Very high16 Ų1619.8 Ų19.810%0.09811%0.106CC..Hα-helixtrans-64.5-32.3177.9-58.10000112.1L429 V441 R448 I449 I450 D454 G455 M458L429-T452 HydrophobicContact CD1-CG2 3.98Å; V441-T452 HydrophobicContact CG2-CG2 4.4Å; R448-T452 WeakPolarHBondContact O-CB 3.37Å; R448-T452 PolarHBondContact O-N 2.94Å; R448-T452 PolarHBondContact O-OG1 3.19Å; I449-T452 WeakPolarHBondContact O-CB 3.29Å; I449-T452 PolarHBondContact O-N 2.71Å; I450-T452 VanDerWaalsContact C-N 3.26Å; I450-T452 PolarHBondContact O-N 2.77Å; T452-D454 VanDerWaalsContact C-N 3.32Å; T452-D454 PolarHBondContact O-N 3.31Å; T452-G455 PolarHBondContact O-N 2.77Å; T452-M458 HydrophobicContact CG2-CE 4.11Å; T452-M458 HydrophobicContact CG2-CG 4.43Å
453C86Confident91.7Very high15 Ų1519.9 Ų19.910%0.10111%0.107CC..Hα-helixtrans-70.3-24.6180-61.50000113.8L393 I449 I450 K451 G455L393-C453 WeakPolarHBondContact CD1-SG 3.49Å; I449-C453 PolarHBondContact O-N 3.33Å; I449-C453 VanDerWaalsContact O-N 3.16Å; I449-C453 PolarHBondContact O-SG 2.95Å; I450-C453 WeakPolarHBondContact O-CB 3.42Å; I450-C453 PolarHBondContact O-N 3.41Å; K451-C453 VanDerWaalsContact C-N 3.26Å; K451-C453 PolarHBondContact O-N 2.84Å; C453-G455 PolarHBondContact O-N 2.91Å
454D82.6Confident91.7Very high22 Ų2220.2 Ų20.212%0.11811%0.108CC..Hα-helixtrans-61.6-34.8174.7-69.9-27.6000111.5Y153 H230 Y240 I450 K451 T452Y153-D454 HydrophobicContact CE1-CB 3.65Å; Y153-D454 VanDerWaalsContact OH-C 3.28Å; Y153-D454 PolarHBondContact OH-O 3.18Å; H230-D454 IonicContact CD2-OD1 3.58Å; H230-D454 IonicContact CE1-OD1 3.58Å; H230-D454 PolarHBondContact CE1-OD1 3.23Å; H230-D454 IonicContact NE2-OD1 3.61Å; H230-D454 PolarHBondContact NE2-OD1 3.44Å; H230-D454 IonicContact NE2-OD2 2.7Å; Y240-D454 VanDerWaalsContact CD1-OD1 3.28Å; Y240-D454 WeakPolarHBondContact CD1-OD1 3.33Å; Y240-D454 VanDerWaalsContact CE1-OD1 3.25Å; Y240-D454 WeakPolarHBondContact CE1-OD1 3.39Å; I450-D454 PolarHBondContact O-N 3.43Å; K451-D454 IonicContact NZ-OD2 2.89Å; K451-D454 PolarHBondContact NZ-OD2 2.9Å; K451-D454 WeakPolarHBondContact O-CB 3.41Å; K451-D454 PolarHBondContact O-N 3.49Å; T452-D454 VanDerWaalsContact C-N 3.32Å; T452-D454 PolarHBondContact O-N 3.31Å
455G75.8Confident91.6Very high11 Ų1116.3 Ų16.311%0.1139%0.088CC..Hα-helixtrans-80.8-43.3-172.700000114.1K155 T452 C453K155-G455 VanDerWaalsContact CE-O 3.22Å; K155-G455 WeakPolarHBondContact CE-O 3.49Å; K155-G455 PolarHBondContact NZ-O 2.89Å; T452-G455 PolarHBondContact O-N 2.77Å; C453-G455 PolarHBondContact O-N 2.91Å
456N79.8Confident91.6Very high34 Ų3416.5 Ų16.518%0.1829%0.089CC..SBendtrans-147.6152.7-172.2-62.4-68.2000111.5K155 M458K155-N456 PolarHBondContact NZ-OD1 2.85Å; N456-M458 HydrophobicContact CB-SD 4.19Å; N456-M458 WeakPolarHBondContact O-CG 3.37Å; N456-M458 PolarHBondContact O-N 3.42Å
457P88.1Confident91.6Very high52 Ų5215.9 Ų15.934%0.3389%0.086SC..  trans-61.8119.5167.4-2435.4000111.8V394 P431 W432V394-P457 HydrophobicContact CG2-CB 3.83Å; P431-P457 WeakPolarHBondContact CA-O 3.45Å; W432-P457 HydrophobicContact CD2-CB 3.51Å; W432-P457 HydrophobicContact CE3-CB 3.83Å; W432-P457 HydrophobicContact CG-CB 3.86Å; W432-P457 HydrophobicContact CH2-CB 4.26Å; W432-P457 HydrophobicContact CZ2-CB 3.97Å; W432-P457 HydrophobicContact CZ3-CB 4.2Å; W432-P457 PolarHBondContact N-O 3.07Å
458M92.8Very high91.7Very high3 Ų314.6 Ų14.62%0.0158%0.079CC..EExtended strand (participates in β ladder)trans-122.9153.3-176.8-56.4-60.9-81.200111.7L393 L429 K430 P431 W432 T452 N456L393-M458 HydrophobicContact CD1-CB 4.28Å; L393-M458 PolarHBondContact N-O 3.09Å; L429-M458 HydrophobicContact CB-CE 3.52Å; K430-M458 WeakPolarHBondContact O-CA 3.39Å; P431-M458 VanDerWaalsContact CA-SD 3.54Å; P431-M458 HydrophobicContact CB-SD 3.81Å; W432-M458 PolarHBondContact NE1-O 3.31Å; T452-M458 HydrophobicContact CG2-CE 4.11Å; T452-M458 HydrophobicContact CG2-CG 4.43Å; N456-M458 HydrophobicContact CB-SD 4.19Å; N456-M458 WeakPolarHBondContact O-CG 3.37Å; N456-M458 PolarHBondContact O-N 3.42Å
459I95.5Very high91.9Very high1 Ų115.1 Ų15.11%0.0058%0.083CC..EExtended strand (participates in β ladder)trans-106142.7155.460.4172.4000108.9K351 D352 T390 F391 L429 K430K351-I459 HydrophobicContact CB-CD1 3.81Å; D352-I459 HydrophobicContact CB-CG2 3.82Å; T390-I459 HydrophobicContact CG2-CB 3.92Å; T390-I459 HydrophobicContact CG2-CD1 4.07Å; T390-I459 HydrophobicContact CG2-CG1 4.38Å; F391-I459 CarbonylContact O-C 3.54Å; F391-I459 VanDerWaalsContact O-CA 3.29Å; F391-I459 WeakPolarHBondContact O-CA 3.3Å; L429-I459 CarbonylContact C-O 3.58Å; L429-I459 VanDerWaalsContact CA-O 3.28Å; L429-I459 WeakPolarHBondContact CA-O 3.47Å; K430-I459 HydrophobicContact CB-CD1 4.22Å; K430-I459 HydrophobicContact CB-CG1 3.81Å; K430-I459 HydrophobicContact CD-CD1 4.37Å; K430-I459 PolarHBondContact N-O 3.48Å; K430-I459 WeakPolarHBondContact O-CG1 3.46Å; K430-I459 PolarHBondContact O-N 3.11Å
460A97.5Very high92Very high0 Ų015.5 Ų15.50%09%0.085CC..EExtended strand (participates in β ladder)trans-103.5113.9167.400000108.9T390 F391 L393 F400 W427 L429T390-A460 CarbonylContact C-O 3.57Å; T390-A460 WeakPolarHBondContact CA-O 2.87Å; F391-A460 PolarHBondContact N-O 2.89Å; F391-A460 PolarHBondContact O-N 3.28Å; L393-A460 HydrophobicContact CD1-CB 3.88Å; L393-A460 HydrophobicContact CD2-CB 3.96Å; L393-A460 HydrophobicContact CG-CB 4.05Å; F400-A460 HydrophobicContact CD2-CB 3.97Å; F400-A460 HydrophobicContact CE2-CB 3.64Å; F400-A460 HydrophobicContact CZ-CB 4.15Å; W427-A460 HydrophobicContact CE3-CB 3.83Å; W427-A460 HydrophobicContact CZ3-CB 4.39Å; W427-A460 WeakPolarHBondContact CZ3-O 3.38Å; L429-A460 HydrophobicContact CD2-CB 3.59Å
461S97.1Very high92.1Very high0 Ų019.1 Ų19.10%010%0.099CC..EExtended strand (participates in β ladder)trans-105.6142.3172.2-58.30000110.3V389 T390 I428 Y463V389-S461 CarbonylContact O-C 3.59Å; V389-S461 WeakPolarHBondContact O-CA 3.45Å; T390-S461 VanDerWaalsContact CG2-OG 3.28Å; T390-S461 WeakPolarHBondContact CG2-OG 3.2Å; T390-S461 VanDerWaalsContact OG1-CB 3.3Å; T390-S461 WeakPolarHBondContact OG1-CB 3.44Å; T390-S461 PolarHBondContact OG1-OG 3.21Å; I428-S461 VanDerWaalsContact CG2-O 3.28Å; I428-S461 WeakPolarHBondContact CG2-O 3.32Å; I428-S461 PolarHBondContact N-O 3.31Å; I428-S461 PolarHBondContact O-N 2.93Å; S461-Y463 PolarHBondContact O-N 2.89Å
462R95.9Very high92.1Very high62 Ų6219.4 Ų19.423%0.23410%0.1CC..EExtended strand (participates in β ladder)trans-56.9127.9172.4-176.3166.164.174.5-3.4109.4D379 P388 V389 W427 E600D379-R462 IonicContact OD2-NE 3.54Å; P388-R462 HydrophobicContact CB-CB 4.45Å; P388-R462 WeakPolarHBondContact CB-O 3.27Å; V389-R462 PolarHBondContact O-N 3.39Å; W427-R462 HydrophobicContact CH2-CB 4.49Å; W427-R462 HydrophobicContact CZ3-CB 4.29Å; R462-E600 IonicContact NH1-OE1 3.06Å
463Y95.4Very high92.2Very high4 Ų424 Ų242%0.01612%0.124CC..  trans-79143.7178.5-173.7-100.6000110.6L426 I428 I442 S461 T465 K480 F512 L514 H523L426-Y463 HydrophobicContact CD2-CD1 3.41Å; L426-Y463 VanDerWaalsContact CD2-CD1 3.41Å; L426-Y463 HydrophobicContact CD2-CE1 4.05Å; L426-Y463 HydrophobicContact CD2-CG 4.11Å; L426-Y463 HydrophobicContact CG-CD1 4.05Å; L426-Y463 HydrophobicContact CG-CG 4.27Å; L426-Y463 WeakPolarHBondContact O-CB 3.29Å; L426-Y463 PolarHBondContact O-N 3Å; I428-Y463 HydrophobicContact CB-CD2 3.97Å; I428-Y463 HydrophobicContact CD1-CD2 4.42Å; I428-Y463 HydrophobicContact CG2-CD2 4.16Å; I442-Y463 HydrophobicContact CD1-CD2 4.12Å; I442-Y463 HydrophobicContact CD1-CE2 3.57Å; I442-Y463 HydrophobicContact CG1-CD2 4.22Å; I442-Y463 HydrophobicContact CG1-CE2 4.17Å; I442-Y463 HydrophobicContact CG2-CD1 4.49Å; I442-Y463 HydrophobicContact CG2-CD2 4.13Å; I442-Y463 HydrophobicContact CG2-CE2 4.36Å; I442-Y463 HydrophobicContact CG2-CG 4.17Å; S461-Y463 PolarHBondContact O-N 2.89Å; Y463-T465 PolarHBondContact O-N 3.33Å; Y463-K480 PolarHBondContact OH-NZ 2.95Å; Y463-F512 HydrophobicContact CE1-CE2 4.43Å; Y463-F512 HydrophobicContact CE1-CZ 4.5Å; Y463-L514 HydrophobicContact CE1-CD2 4.38Å; Y463-H523 PolarHBondContact OH-ND1 3.12Å
464I92.6Very high92.5Very high14 Ų1427.6 Ų27.67%0.07214%0.142CC..  trans-75.1110.4176.7-171.9173.1000110.5P467 L598 E600I464-P467 HydrophobicContact CD1-CB 3.93Å; I464-P467 HydrophobicContact CG1-CB 4.16Å; I464-L598 HydrophobicContact CD1-CB 4.01Å; I464-L598 HydrophobicContact CG2-CD1 3.78Å; I464-E600 HydrophobicContact CD1-CB 3.54Å; I464-E600 HydrophobicContact CD1-CG 3.92Å; I464-E600 HydrophobicContact CG1-CB 4.02Å; I464-E600 HydrophobicContact CG1-CG 3.79Å
465T92Very high92.9Very high13 Ų1329.7 Ų29.78%0.0815%0.153CC..SBendtrans-93.7-24.7-174.853.10000113N421 H424 L426 Y463 P467 L514N421-T465 PolarHBondContact O-OG1 3.41Å; H424-T465 HydrophobicContact CB-CG2 3.59Å; L426-T465 HydrophobicContact CB-CG2 4.35Å; L426-T465 HydrophobicContact CD2-CG2 4.32Å; Y463-T465 PolarHBondContact O-N 3.33Å; T465-P467 VanDerWaalsContact O-CD 3.3Å; T465-P467 WeakPolarHBondContact O-CD 3.46Å; T465-L514 HydrophobicContact CG2-CD2 4.36Å
466D93.6Very high93.8Very high26 Ų2635.5 Ų35.514%0.13918%0.177CC..SBendtrans-120.761.9177.7-158.512.8000112.2N421 W601 K612N421-D466 HydrophobicContact CB-CB 4.08Å; N421-D466 VanDerWaalsContact ND2-CG 3.34Å; N421-D466 PolarHBondContact ND2-OD1 3.38Å; N421-D466 VanDerWaalsContact ND2-OD1 3.13Å; D466-W601 HydrophobicContact CB-CB 4.33Å; D466-W601 PolarHBondContact O-N 2.91Å; D466-W601 WeakPolarHBondContact OD2-CB 3.33Å; D466-K612 IonicContact OD2-NZ 2.85Å; D466-K612 PolarHBondContact OD2-NZ 2.78Å
467P96.2Very high94.6Very high5 Ų534.7 Ų34.73%0.03218%0.175CC..BIsolated β-bridgetrans-69.5148.8178.530.5-35.1000111.5I464 T465 L469 F512 L599I464-P467 HydrophobicContact CD1-CB 3.93Å; I464-P467 HydrophobicContact CG1-CB 4.16Å; T465-P467 VanDerWaalsContact O-CD 3.3Å; T465-P467 WeakPolarHBondContact O-CD 3.46Å; P467-L469 HydrophobicContact CB-CD2 4.37Å; P467-L469 HydrophobicContact CG-CD2 3.83Å; P467-L469 PolarHBondContact O-N 2.92Å; P467-F512 HydrophobicContact CG-CD1 4.01Å; P467-F512 HydrophobicContact CG-CD2 4.23Å; P467-F512 HydrophobicContact CG-CE1 3.57Å; P467-F512 HydrophobicContact CG-CE2 3.8Å; P467-F512 HydrophobicContact CG-CG 4.31Å; P467-F512 HydrophobicContact CG-CZ 3.44Å; P467-F512 VanDerWaalsContact CG-CZ 3.44Å; P467-L599 CarbonylContact C-O 3.59Å; P467-L599 VanDerWaalsContact CA-O 3.31Å; P467-L599 WeakPolarHBondContact CA-O 3.31Å
468V98Very high95Very high2 Ų235.4 Ų35.41%0.01218%0.176CC..  trans-66129.9161.4-173.30000107.8F481 F547 Y551 L599 W601 I614V468-F481 HydrophobicContact CG1-CE1 4.35Å; V468-F481 HydrophobicContact CG1-CZ 4.45Å; V468-F481 WeakPolarHBondContact O-CE1 3.44Å; V468-F547 HydrophobicContact CG1-CE2 3.97Å; V468-F547 HydrophobicContact CG1-CZ 4.37Å; V468-Y551 HydrophobicContact CG1-CD2 4.33Å; V468-Y551 HydrophobicContact CG1-CE2 3.64Å; V468-L599 HydrophobicContact CB-CB 3.76Å; V468-L599 HydrophobicContact CG2-CB 3.6Å; V468-L599 PolarHBondContact N-O 2.93Å; V468-W601 HydrophobicContact CG1-CZ2 4.12Å; V468-W601 HydrophobicContact CG2-CD2 4.02Å; V468-W601 HydrophobicContact CG2-CG 4.25Å; V468-W601 HydrophobicContact CG2-CZ2 4.09Å; V468-I614 HydrophobicContact CG1-CD1 4.36Å; V468-I614 HydrophobicContact CG2-CB 4.43Å; V468-I614 HydrophobicContact CG2-CD1 4.03Å; V468-I614 HydrophobicContact CG2-CG1 3.9Å; V468-I614 HydrophobicContact CG2-CG2 3.9Å
469L97.8Very high95.1Very high29 Ų2935.3 Ų35.315%0.15218%0.175CC..EExtended strand (participates in β ladder)trans-108.3161.5-176.4-58.3177.3000110.8P467 N478 V479 K480 F512 Q550 Y551P467-L469 HydrophobicContact CB-CD2 4.37Å; P467-L469 HydrophobicContact CG-CD2 3.83Å; P467-L469 PolarHBondContact O-N 2.92Å; L469-N478 HydrophobicContact CB-CB 3.82Å; L469-N478 HydrophobicContact CD1-CB 3.79Å; L469-N478 HydrophobicContact CG-CB 4.45Å; L469-V479 WeakPolarHBondContact CA-O 3.29Å; L469-K480 HydrophobicContact CD2-CB 4.4Å; L469-F512 HydrophobicContact CD1-CB 3.97Å; L469-F512 HydrophobicContact CD1-CD1 4.1Å; L469-F512 HydrophobicContact CD1-CG 4.4Å; L469-F512 HydrophobicContact CD2-CB 3.52Å; L469-F512 HydrophobicContact CD2-CD1 3.95Å; L469-F512 HydrophobicContact CD2-CD2 4.43Å; L469-F512 HydrophobicContact CD2-CG 3.72Å; L469-F512 HydrophobicContact CG-CB 4.42Å; L469-Q550 PolarHBondContact O-NE2 2.96Å; L469-Y551 WeakPolarHBondContact O-CE2 3.43Å; L469-Y551 PolarHBondContact O-OH 2.58Å
470F97.7Very high95.1Very high7 Ų735.8 Ų35.83%0.03118%0.177CC..EExtended strand (participates in β ladder)trans-119.1130.6175.6-175.7-97.7000110.3R472 N478 V479 F481 F507 I538 F543 L546F470-R472 HydrophobicContact CD1-CG 4.27Å; F470-R472 PolarHBondContact O-N 2.89Å; F470-N478 WeakPolarHBondContact O-CA 3.39Å; F470-V479 PolarHBondContact N-O 3.47Å; F470-V479 WeakPolarHBondContact O-CG2 3.42Å; F470-V479 PolarHBondContact O-N 2.68Å; F470-F481 HydrophobicContact CB-CD1 3.6Å; F470-F481 HydrophobicContact CB-CE1 3.97Å; F470-F481 HydrophobicContact CB-CG 4.22Å; F470-F507 HydrophobicContact CB-CD1 4.23Å; F470-F507 HydrophobicContact CB-CE1 3.95Å; F470-F507 AromaticContact CD1-CD1 3.87Å; F470-F507 HydrophobicContact CD1-CD1 3.87Å; F470-F507 AromaticContact CD1-CE1 3.44Å; F470-F507 HydrophobicContact CD1-CE1 3.44Å; F470-F507 VanDerWaalsContact CD1-CE1 3.44Å; F470-F507 HydrophobicContact CD1-CZ 4.3Å; F470-F507 HydrophobicContact CD2-CE1 4.38Å; F470-F507 AromaticContact CE1-CE1 3.99Å; F470-F507 HydrophobicContact CE1-CE1 3.99Å; F470-F507 HydrophobicContact CE1-CZ 4.43Å; F470-F507 HydrophobicContact CG-CD1 4.26Å; F470-F507 AromaticContact CG-CE1 3.66Å; F470-F507 HydrophobicContact CG-CE1 3.66Å; F470-I538 HydrophobicContact CE1-CD1 3.53Å; F470-I538 HydrophobicContact CZ-CD1 3.75Å; F470-F543 AromaticContact CD2-CD2 3.92Å; F470-F543 HydrophobicContact CD2-CD2 3.92Å; F470-F543 AromaticContact CD2-CE2 3.59Å; F470-F543 HydrophobicContact CD2-CE2 3.59Å; F470-F543 AromaticContact CE2-CD2 3.7Å; F470-F543 HydrophobicContact CE2-CD2 3.7Å; F470-F543 AromaticContact CE2-CE2 3.86Å; F470-F543 HydrophobicContact CE2-CE2 3.86Å; F470-F543 HydrophobicContact CG-CE2 4.35Å; F470-F543 HydrophobicContact CZ-CD2 4.35Å; F470-L546 HydrophobicContact CE2-CB 3.96Å; F470-L546 HydrophobicContact CZ-CB 4.03Å; F470-L546 HydrophobicContact CZ-CD1 3.9Å
471Y97.3Very high95.1Very high77 Ų7735.9 Ų35.930%0.30218%0.178SC..EExtended strand (participates in β ladder)trans-76.9119.2179.4-172.4-104.3000110.9N473 Q476 N478Y471-N473 WeakPolarHBondContact CD1-OD1 3.35Å; Y471-N473 WeakPolarHBondContact CE1-OD1 3.12Å; Y471-Q476 WeakPolarHBondContact OH-CA 3.16Å; Y471-Q476 PolarHBondContact OH-OE1 3.01Å; Y471-N478 WeakPolarHBondContact CA-OD1 2.89Å; Y471-N478 WeakPolarHBondContact CB-OD1 3.21Å; Y471-N478 PolarHBondContact N-OD1 3.49Å
472R93Very high95Very high15 Ų1536.1 Ų36.16%0.05718%0.179CC..EExtended strand (participates in β ladder)trans-99.2110.8174-83.2-176.666.9172.30110.4F470 D474 L475 Q476 A477 V479 A508 N509F470-R472 HydrophobicContact CD1-CG 4.27Å; F470-R472 PolarHBondContact O-N 2.89Å; R472-D474 WeakPolarHBondContact CB-OD1 3.23Å; R472-D474 IonicContact CZ-OD2 2.91Å; R472-D474 IonicContact NE-OD1 2.73Å; R472-D474 PolarHBondContact NE-OD1 3.26Å; R472-D474 IonicContact NE-OD2 3.28Å; R472-D474 PolarHBondContact NE-OD2 3.32Å; R472-D474 IonicContact NH2-OD2 3.11Å; R472-D474 PolarHBondContact NH2-OD2 2.98Å; R472-D474 PolarHBondContact O-N 3.28Å; R472-L475 HydrophobicContact CB-CB 4.22Å; R472-L475 HydrophobicContact CB-CD1 4.34Å; R472-L475 HydrophobicContact CB-CG 4.34Å; R472-L475 CarbonylContact O-C 3.55Å; R472-L475 PolarHBondContact O-N 3.31Å; R472-L475 VanDerWaalsContact O-N 3.1Å; R472-Q476 PolarHBondContact O-N 3.17Å; R472-A477 PolarHBondContact N-O 2.87Å; R472-A477 PolarHBondContact O-N 3.48Å; R472-V479 HydrophobicContact CG-CG2 3.84Å; R472-A508 PolarHBondContact NH1-O 3.48Å; R472-N509 PolarHBondContact NH1-OD1 2.91Å
473N91.8Very high95.1Very high112 Ų11233.1 Ų33.160%0.59917%0.168SC*.THydrogen-bonded Turntrans-57-33.7176.5-70.6-27.6000113.1Y471 L475 Q476Y471-N473 WeakPolarHBondContact CD1-OD1 3.35Å; Y471-N473 WeakPolarHBondContact CE1-OD1 3.12Å; N473-L475 VanDerWaalsContact C-N 3.32Å; N473-L475 PolarHBondContact O-N 3.03Å; N473-Q476 PolarHBondContact O-N 3.29Å; N473-Q476 PolarHBondContact O-NE2 3Å
474D91.7Very high95.2Very high91 Ų9134.1 Ų34.149%0.48717%0.171SC..THydrogen-bonded Turntrans-71.4-26.1179.655.1-58.6000113.3R472R472-D474 WeakPolarHBondContact CB-OD1 3.23Å; R472-D474 IonicContact CZ-OD2 2.91Å; R472-D474 IonicContact NE-OD1 2.73Å; R472-D474 PolarHBondContact NE-OD1 3.26Å; R472-D474 IonicContact NE-OD2 3.28Å; R472-D474 PolarHBondContact NE-OD2 3.32Å; R472-D474 IonicContact NH2-OD2 3.11Å; R472-D474 PolarHBondContact NH2-OD2 2.98Å; R472-D474 PolarHBondContact O-N 3.28Å
475L91.2Very high95.4Very high65 Ų6533.6 Ų33.634%0.3417%0.168SC..THydrogen-bonded Turntrans-100.7-9.2175.7-60.5178.1000113R472 N473 A477 V479 N509R472-L475 HydrophobicContact CB-CB 4.22Å; R472-L475 HydrophobicContact CB-CD1 4.34Å; R472-L475 HydrophobicContact CB-CG 4.34Å; R472-L475 CarbonylContact O-C 3.55Å; R472-L475 PolarHBondContact O-N 3.31Å; R472-L475 VanDerWaalsContact O-N 3.1Å; N473-L475 VanDerWaalsContact C-N 3.32Å; N473-L475 PolarHBondContact O-N 3.03Å; L475-A477 HydrophobicContact CB-CB 4.33Å; L475-A477 PolarHBondContact O-N 2.82Å; L475-V479 HydrophobicContact CD1-CG1 3.84Å; L475-N509 WeakPolarHBondContact CD1-O 3.46Å
476Q95.1Very high95.7Very high134 Ų13433.1 Ų33.163%0.62617%0.166SC*.THydrogen-bonded Turntrans4939.8-169.4-64.4-69.2-55.500112.5Y471 R472 N473Y471-Q476 WeakPolarHBondContact OH-CA 3.16Å; Y471-Q476 PolarHBondContact OH-OE1 3.01Å; R472-Q476 PolarHBondContact O-N 3.17Å; N473-Q476 PolarHBondContact O-N 3.29Å; N473-Q476 PolarHBondContact O-NE2 3Å
477A96Very high95.9Very high16 Ų1631.9 Ų31.913%0.13216%0.159CC..EExtended strand (participates in β ladder)trans-153.5158.3-172.200000113.4R472 L475 P511R472-A477 PolarHBondContact N-O 2.87Å; R472-A477 PolarHBondContact O-N 3.48Å; L475-A477 HydrophobicContact CB-CB 4.33Å; L475-A477 PolarHBondContact O-N 2.82Å; A477-P511 HydrophobicContact CB-CB 3.87Å; A477-P511 HydrophobicContact CB-CG 3.57Å
478N97.2Very high95.9Very high68 Ų6831.7 Ų31.736%0.36416%0.158SC..EExtended strand (participates in β ladder)trans-84.4127.3174-74.1-45.9000110.7L469 F470 Y471 P511 F512L469-N478 HydrophobicContact CB-CB 3.82Å; L469-N478 HydrophobicContact CD1-CB 3.79Å; L469-N478 HydrophobicContact CG-CB 4.45Å; F470-N478 WeakPolarHBondContact O-CA 3.39Å; Y471-N478 WeakPolarHBondContact CA-OD1 2.89Å; Y471-N478 WeakPolarHBondContact CB-OD1 3.21Å; Y471-N478 PolarHBondContact N-OD1 3.49Å; N478-P511 WeakPolarHBondContact O-CA 3.39Å; N478-F512 PolarHBondContact O-N 3.46Å
479V95.5Very high95.9Very high0 Ų031.6 Ų31.60%016%0.157CC..EExtended strand (participates in β ladder)trans-120.8155-178.5-55.90000111.5L469 F470 R472 L475 F507 A508 K510L469-V479 WeakPolarHBondContact CA-O 3.29Å; F470-V479 PolarHBondContact N-O 3.47Å; F470-V479 WeakPolarHBondContact O-CG2 3.42Å; F470-V479 PolarHBondContact O-N 2.68Å; R472-V479 HydrophobicContact CG-CG2 3.84Å; L475-V479 HydrophobicContact CD1-CG1 3.84Å; V479-F507 HydrophobicContact CG2-CB 4.32Å; V479-F507 HydrophobicContact CG2-CD1 4.34Å; V479-A508 HydrophobicContact CB-CB 4.32Å; V479-K510 WeakPolarHBondContact CG1-O 3.21Å
480K95.6Very high95.7Very high12 Ų1231.1 Ų31.15%0.05215%0.153CC..EExtended strand (participates in β ladder)trans-68.4145.5170-169.9177.5179.5-175.30109.7Y463 L469 A508 F512 H523 T525 L598Y463-K480 PolarHBondContact OH-NZ 2.95Å; L469-K480 HydrophobicContact CD2-CB 4.4Å; K480-A508 HydrophobicContact CB-CB 4.2Å; K480-A508 WeakPolarHBondContact O-CB 3.18Å; K480-A508 PolarHBondContact O-N 3.13Å; K480-F512 HydrophobicContact CB-CD2 4.12Å; K480-F512 HydrophobicContact CD-CD2 4.28Å; K480-F512 HydrophobicContact CD-CE2 4.31Å; K480-H523 WeakPolarHBondContact CD-O 3.42Å; K480-H523 PolarHBondContact NZ-O 3.39Å; K480-T525 HydrophobicContact CB-CG2 4.47Å; K480-T525 HydrophobicContact CG-CG2 4.22Å; K480-L598 VanDerWaalsContact CE-CD1 3.47Å; K480-L598 HydrophobicContact CG-CD2 4.32Å
481F96.2Very high95.5Very high2 Ų231.7 Ų31.71%0.00916%0.158CC..EExtended strand (participates in β ladder)trans-142149.6173.769.2-79.5000109.9V468 F470 I483 L505 R506 F507 F543 F547 L598 L599V468-F481 HydrophobicContact CG1-CE1 4.35Å; V468-F481 HydrophobicContact CG1-CZ 4.45Å; V468-F481 WeakPolarHBondContact O-CE1 3.44Å; F470-F481 HydrophobicContact CB-CD1 3.6Å; F470-F481 HydrophobicContact CB-CE1 3.97Å; F470-F481 HydrophobicContact CB-CG 4.22Å; F481-I483 HydrophobicContact CD2-CD1 4.32Å; F481-I483 HydrophobicContact CD2-CG1 4.01Å; F481-I483 HydrophobicContact CE2-CD1 3.69Å; F481-I483 HydrophobicContact CE2-CG1 3.9Å; F481-L505 HydrophobicContact CD2-CD2 3.92Å; F481-L505 HydrophobicContact CE2-CD2 4.32Å; F481-R506 CarbonylContact C-O 3.56Å; F481-R506 WeakPolarHBondContact CA-O 3.3Å; F481-R506 WeakPolarHBondContact CB-O 3.45Å; F481-F507 HydrophobicContact CB-CD1 3.53Å; F481-F507 HydrophobicContact CB-CE1 3.78Å; F481-F507 HydrophobicContact CB-CG 4.32Å; F481-F507 HydrophobicContact CG-CD1 4.42Å; F481-F507 HydrophobicContact CG-CE1 4.26Å; F481-F543 HydrophobicContact CD2-CE2 4.19Å; F481-F543 HydrophobicContact CD2-CZ 4.2Å; F481-F543 AromaticContact CE2-CE2 3.87Å; F481-F543 HydrophobicContact CE2-CE2 3.87Å; F481-F543 AromaticContact CE2-CZ 3.49Å; F481-F543 HydrophobicContact CE2-CZ 3.49Å; F481-F543 VanDerWaalsContact CE2-CZ 3.49Å; F481-F543 HydrophobicContact CZ-CE2 4.26Å; F481-F543 AromaticContact CZ-CZ 3.91Å; F481-F543 HydrophobicContact CZ-CZ 3.91Å; F481-F547 HydrophobicContact CZ-CE2 4.31Å; F481-L598 WeakPolarHBondContact O-CD2 3.08Å; F481-L599 HydrophobicContact CE2-CD1 4.37Å; F481-L599 HydrophobicContact CZ-CD1 4.09Å
482D95.8Very high95.3Very high4 Ų428.6 Ų28.62%0.02115%0.147CC..EExtended strand (participates in β ladder)trans-118.6159.2171.282.1-104000110.7L505 R506 T525 L597 L598D482-L505 WeakPolarHBondContact O-CA 3.34Å; D482-R506 VanDerWaalsContact CG-NH2 3.3Å; D482-R506 PolarHBondContact N-O 2.96Å; D482-R506 PolarHBondContact O-N 3.26Å; D482-R506 VanDerWaalsContact O-N 3.08Å; D482-R506 WeakPolarHBondContact OD1-CB 3.41Å; D482-R506 IonicContact OD1-CZ 3.2Å; D482-R506 IonicContact OD1-NE 3.96Å; D482-R506 PolarHBondContact OD1-NE 3.1Å; D482-R506 IonicContact OD1-NH2 3.79Å; D482-R506 PolarHBondContact OD1-NH2 2.99Å; D482-R506 IonicContact OD2-CZ 2.8Å; D482-R506 IonicContact OD2-NE 2.79Å; D482-R506 PolarHBondContact OD2-NE 2.9Å; D482-R506 IonicContact OD2-NH2 3.23Å; D482-R506 PolarHBondContact OD2-NH2 2.68Å; D482-T525 HydrophobicContact CB-CG2 4.44Å; D482-T525 WeakPolarHBondContact OD1-CB 3.41Å; D482-T525 PolarHBondContact OD1-OG1 3.09Å; D482-L597 WeakPolarHBondContact CA-O 3.45Å; D482-L598 HydrophobicContact CB-CD2 3.7Å
483I97.5Very high95.3Very high0 Ų035.1 Ų35.10%018%0.176CC..EExtended strand (participates in β ladder)trans-126.2127.8-173.4-35.7-174000108.4F481 Y485 F503 L505 W556 D596 L597 L599F481-I483 HydrophobicContact CD2-CD1 4.32Å; F481-I483 HydrophobicContact CD2-CG1 4.01Å; F481-I483 HydrophobicContact CE2-CD1 3.69Å; F481-I483 HydrophobicContact CE2-CG1 3.9Å; I483-Y485 HydrophobicContact CG2-CD2 4.03Å; I483-Y485 HydrophobicContact CG2-CE2 3.69Å; I483-F503 HydrophobicContact CG2-CB 4.13Å; I483-F503 HydrophobicContact CG2-CD2 3.57Å; I483-F503 HydrophobicContact CG2-CE2 4.26Å; I483-F503 HydrophobicContact CG2-CG 4.08Å; I483-L505 HydrophobicContact CD1-CD2 4.49Å; I483-L505 HydrophobicContact CG1-CD2 4.05Å; I483-L505 HydrophobicContact CG2-CD2 4.2Å; I483-W556 HydrophobicContact CD1-CH2 3.45Å; I483-W556 VanDerWaalsContact CD1-CH2 3.45Å; I483-W556 HydrophobicContact CD1-CZ2 4.45Å; I483-W556 HydrophobicContact CD1-CZ3 4.11Å; I483-D596 CarbonylContact O-C 3.45Å; I483-D596 WeakPolarHBondContact O-CA 3.34Å; I483-L597 HydrophobicContact CB-CD1 3.88Å; I483-L597 HydrophobicContact CB-CG 4.17Å; I483-L597 HydrophobicContact CD1-CD1 3.93Å; I483-L597 HydrophobicContact CG1-CD1 3.98Å; I483-L597 PolarHBondContact N-O 2.84Å; I483-L597 PolarHBondContact O-N 3.01Å; I483-L599 HydrophobicContact CD1-CD1 3.96Å; I483-L599 HydrophobicContact CD1-CG 4.08Å
484R96.7Very high95.3Very high25 Ų2534.3 Ų34.39%0.09418%0.177CC..EExtended strand (participates in β ladder)trans-107.6116.8174.8174170-69.5-172-5.6109.9F503 W504 A594 V595 D596R484-F503 WeakPolarHBondContact O-CA 3.28Å; R484-W504 HydrophobicContact CB-CB 4.29Å; R484-W504 PolarHBondContact N-O 3.28Å; R484-W504 PolarHBondContact O-N 2.87Å; R484-A594 HydrophobicContact CG-CB 3.86Å; R484-V595 WeakPolarHBondContact CA-O 3.34Å; R484-D596 WeakPolarHBondContact CB-OD1 3.42Å; R484-D596 WeakPolarHBondContact CG-OD1 3.41Å; R484-D596 IonicContact CZ-OD1 3.24Å; R484-D596 IonicContact CZ-OD2 2.87Å; R484-D596 IonicContact NE-OD1 2.94Å; R484-D596 PolarHBondContact NE-OD1 3.27Å; R484-D596 IonicContact NE-OD2 3.43Å; R484-D596 IonicContact NH2-OD1 2.64Å; R484-D596 PolarHBondContact NH2-OD1 2.8Å; R484-D596 IonicContact NH2-OD2 2.81Å; R484-D596 PolarHBondContact NH2-OD2 2.71Å
485Y97.9Very high95.5Very high2 Ų232.5 Ų32.51%0.00817%0.167CC..EExtended strand (participates in β ladder)trans-97.2137.2166.9-82.6-100000110I483 F503 E560 I563 H564 L567 A594 V595 L597I483-Y485 HydrophobicContact CG2-CD2 4.03Å; I483-Y485 HydrophobicContact CG2-CE2 3.69Å; Y485-F503 HydrophobicContact CD1-CB 4.19Å; Y485-F503 HydrophobicContact CD2-CB 4.05Å; Y485-F503 HydrophobicContact CE1-CB 4Å; Y485-F503 HydrophobicContact CE1-CD1 4.09Å; Y485-F503 HydrophobicContact CE1-CG 4.4Å; Y485-F503 HydrophobicContact CE2-CB 3.84Å; Y485-F503 HydrophobicContact CE2-CD1 4.37Å; Y485-F503 HydrophobicContact CE2-CG 4.12Å; Y485-F503 HydrophobicContact CG-CB 4.22Å; Y485-F503 AromaticContact CZ-CD1 3.71Å; Y485-F503 AromaticContact CZ-CG 3.9Å; Y485-F503 WeakPolarHBondContact OH-CD1 3.49Å; Y485-E560 PolarHBondContact OH-OE1 3.26Å; Y485-I563 HydrophobicContact CD2-CG2 3.89Å; Y485-I563 HydrophobicContact CE1-CG2 4.4Å; Y485-I563 HydrophobicContact CE2-CD1 3.96Å; Y485-I563 HydrophobicContact CE2-CG2 3.69Å; Y485-I563 HydrophobicContact CG-CG2 4.34Å; Y485-H564 AromaticContact CE1-NE2 3.88Å; Y485-L567 HydrophobicContact CD1-CD1 4.06Å; Y485-L567 HydrophobicContact CG-CD1 4.09Å; Y485-A594 CarbonylContact O-C 3.56Å; Y485-A594 WeakPolarHBondContact O-CA 3.47Å; Y485-V595 PolarHBondContact N-O 3.4Å; Y485-V595 PolarHBondContact O-N 2.84Å; Y485-L597 HydrophobicContact CD2-CD2 4.16Å
486V97.5Very high95.7Very high4 Ų431.3 Ų31.32%0.02416%0.161CC..EExtended strand (participates in β ladder)trans-96116.4172.3169.70000108.5L488 T499 Y500 W504 L592 Y593 F637V486-L488 HydrophobicContact CG1-CD1 4.46Å; V486-T499 CarbonylContact O-C 3.54Å; V486-T499 VanDerWaalsContact O-CA 3.28Å; V486-T499 WeakPolarHBondContact O-CA 3.5Å; V486-T499 PolarHBondContact O-OG1 3.15Å; V486-Y500 PolarHBondContact O-N 3.3Å; V486-W504 HydrophobicContact CB-CZ3 3.97Å; V486-W504 HydrophobicContact CG2-CE3 3.99Å; V486-W504 HydrophobicContact CG2-CH2 4.08Å; V486-W504 HydrophobicContact CG2-CZ3 3.35Å; V486-L592 HydrophobicContact CG1-CD1 3.62Å; V486-L592 HydrophobicContact CG1-CD2 4.3Å; V486-L592 HydrophobicContact CG1-CG 3.86Å; V486-Y593 CarbonylContact C-O 3.51Å; V486-Y593 WeakPolarHBondContact CA-O 3.42Å; V486-F637 HydrophobicContact CG1-CE2 4.26Å; V486-F637 HydrophobicContact CG1-CZ 4.1Å; V486-F637 HydrophobicContact CG2-CE2 4.44Å; V486-F637 HydrophobicContact CG2-CZ 4.27Å
487V97.9Very high95.8Very high0 Ų025.1 Ų25.10%013%0.132CC..EExtended strand (participates in β ladder)trans-111.1133.1-176.7-173.70000109.9L497 Y498 L567 F571 L592 Y593 V595 L659V487-L497 HydrophobicContact CG1-CD2 4.32Å; V487-Y498 CarbonylContact C-O 3.45Å; V487-Y498 WeakPolarHBondContact CA-O 3.44Å; V487-Y498 WeakPolarHBondContact CG1-O 3.43Å; V487-L567 HydrophobicContact CG2-CD1 4.07Å; V487-L567 HydrophobicContact CG2-CD2 3.97Å; V487-L567 HydrophobicContact CG2-CG 4.43Å; V487-F571 HydrophobicContact CB-CE2 4.19Å; V487-F571 HydrophobicContact CB-CZ 4.14Å; V487-F571 HydrophobicContact CG1-CD2 4.47Å; V487-F571 HydrophobicContact CG1-CE2 3.63Å; V487-F571 HydrophobicContact CG1-CZ 3.66Å; V487-L592 WeakPolarHBondContact O-CA 3.45Å; V487-Y593 PolarHBondContact N-O 3.23Å; V487-Y593 PolarHBondContact O-N 2.86Å; V487-V595 HydrophobicContact CG2-CG2 3.92Å; V487-L659 HydrophobicContact CG1-CD1 4.13Å
488L97Very high95.9Very high0 Ų025.3 Ų25.30%013%0.129CC..EExtended strand (participates in β ladder)trans-108.9122.7178.5-58.286.8000109.1V486 L497 Y498 A591 L592 I641 C644 L645 I656V486-L488 HydrophobicContact CG1-CD1 4.46Å; L488-L497 WeakPolarHBondContact O-CA 3.21Å; L488-Y498 PolarHBondContact N-O 2.83Å; L488-Y498 PolarHBondContact O-N 3.33Å; L488-A591 WeakPolarHBondContact CA-O 3.48Å; L488-L592 HydrophobicContact CG-CD1 4.46Å; L488-I641 HydrophobicContact CD2-CB 4.17Å; L488-I641 HydrophobicContact CD2-CG1 4.04Å; L488-I641 HydrophobicContact CD2-CG2 3.95Å; L488-C644 HydrophobicContact CD2-CB 4.29Å; L488-L645 HydrophobicContact CB-CD2 4.05Å; L488-L645 HydrophobicContact CD2-CD1 4.33Å; L488-L645 HydrophobicContact CD2-CD2 4.25Å; L488-L645 HydrophobicContact CD2-CG 4.01Å; L488-I656 HydrophobicContact CD2-CD1 4.18Å
489L96.8Very high95.8Very high0 Ų022.1 Ų22.10%011%0.112CC..EExtended strand (participates in β ladder)trans-99.5109.5172.517860.4000109F342 S491 V492 L495 L497 F571 L583 A591 Y593F342-L489 HydrophobicContact CD1-CD2 4.39Å; F342-L489 HydrophobicContact CD2-CD2 3.59Å; F342-L489 HydrophobicContact CD2-CG 4.15Å; F342-L489 HydrophobicContact CE1-CD2 4.33Å; F342-L489 HydrophobicContact CE2-CB 4.07Å; F342-L489 HydrophobicContact CE2-CD2 3.51Å; F342-L489 HydrophobicContact CE2-CG 3.54Å; F342-L489 HydrophobicContact CG-CD2 4.05Å; F342-L489 HydrophobicContact CZ-CD2 3.9Å; F342-L489 HydrophobicContact CZ-CG 3.78Å; L489-S491 VanDerWaalsContact CD1-O 3.29Å; L489-S491 WeakPolarHBondContact CD1-O 3.48Å; L489-V492 HydrophobicContact CD1-CG2 4.42Å; L489-V492 HydrophobicContact CD2-CG2 4.15Å; L489-L495 HydrophobicContact CD1-CD1 3.78Å; L489-L497 HydrophobicContact CB-CD2 4.23Å; L489-L497 HydrophobicContact CD1-CD2 3.58Å; L489-L497 HydrophobicContact CG-CD2 4.49Å; L489-F571 HydrophobicContact CB-CD1 4.45Å; L489-F571 HydrophobicContact CB-CE1 3.97Å; L489-F571 HydrophobicContact CD1-CD1 4.22Å; L489-F571 HydrophobicContact CD2-CD1 4.11Å; L489-F571 HydrophobicContact CD2-CE1 4.1Å; L489-F571 HydrophobicContact CG-CD1 4.5Å; L489-F571 HydrophobicContact CG-CE1 4.44Å; L489-L583 HydrophobicContact CD2-CD1 3.94Å; L489-L583 HydrophobicContact CD2-CD2 3.89Å; L489-A591 PolarHBondContact N-O 3.28Å; L489-A591 PolarHBondContact O-N 3.26Å; L489-Y593 HydrophobicContact CB-CD2 4.45Å; L489-Y593 HydrophobicContact CB-CE2 3.87Å; L489-Y593 HydrophobicContact CD2-CE2 4.19Å
490R94.1Very high95.9Very high19 Ų1922.1 Ų22.17%0.07211%0.112CC..EExtended strand (participates in β ladder)trans-90.8-40178.7-167-173.1-63.7-174.56.9112I496 Y498 R590 C644 L645 D648R490-I496 HydrophobicContact CB-CB 4.29Å; R490-I496 HydrophobicContact CB-CG2 4.13Å; R490-I496 PolarHBondContact N-O 2.66Å; R490-Y498 HydrophobicContact CB-CE2 4.16Å; R490-Y498 PolarHBondContact NH2-OH 2.83Å; R490-R590 WeakPolarHBondContact O-CD 3.46Å; R490-R590 PolarHBondContact O-NE 2.83Å; R490-R590 PolarHBondContact O-NH1 3.43Å; R490-C644 PolarHBondContact NE-O 3.04Å; R490-C644 PolarHBondContact NH2-O 3.49Å; R490-C644 PolarHBondContact NH2-SG 2.87Å; R490-L645 HydrophobicContact CB-CD2 4.33Å; R490-D648 IonicContact CZ-OD1 3.29Å; R490-D648 IonicContact NH1-OD1 3.31Å; R490-D648 PolarHBondContact NH1-OD1 2.92Å
491S93.9Very high95.8Very high20 Ų2026.1 Ų26.114%0.1413%0.13CC..EExtended strand (participates in β ladder)trans-152150.4178.6-174.40000110.8L489 K493 P494 L495 I496L489-S491 VanDerWaalsContact CD1-O 3.29Å; L489-S491 WeakPolarHBondContact CD1-O 3.48Å; S491-K493 PolarHBondContact OG-N 3.35Å; S491-K493 PolarHBondContact OG-O 2.99Å; S491-P494 CarbonylContact C-O 3.59Å; S491-P494 VanDerWaalsContact C-O 3.28Å; S491-P494 VanDerWaalsContact CB-O 3.29Å; S491-P494 WeakPolarHBondContact CB-O 3.1Å; S491-P494 PolarHBondContact OG-O 3Å; S491-L495 CarbonylContact O-C 3.3Å; S491-L495 WeakPolarHBondContact O-CA 3.06Å; S491-I496 PolarHBondContact O-N 2.84Å
492V93.7Very high95.7Very high11 Ų1126.6 Ų26.67%0.06713%0.133CC..EExtended strand (participates in β ladder)trans-94.2-29.4172.6174.30000111.5F342 L489 P494 L495 T575 L583 H585F342-V492 HydrophobicContact CD1-CG2 3.83Å; F342-V492 HydrophobicContact CE1-CG2 3.62Å; F342-V492 HydrophobicContact CZ-CG2 4.38Å; L489-V492 HydrophobicContact CD1-CG2 4.42Å; L489-V492 HydrophobicContact CD2-CG2 4.15Å; V492-P494 CarbonylContact C-O 3.57Å; V492-P494 VanDerWaalsContact C-O 3.29Å; V492-P494 CarbonylContact O-C 3.2Å; V492-P494 VanDerWaalsContact O-C 3.3Å; V492-L495 PolarHBondContact O-N 3.01Å; V492-L495 VanDerWaalsContact O-N 3.16Å; V492-T575 HydrophobicContact CB-CG2 4.35Å; V492-T575 HydrophobicContact CG1-CG2 3.54Å; V492-T575 HydrophobicContact CG2-CG2 4.03Å; V492-L583 HydrophobicContact CG2-CD2 3.37Å; V492-H585 HydrophobicContact CB-CB 3.98Å; V492-H585 HydrophobicContact CG1-CB 3.99Å
493K91.5Very high95.7Very high152 Ų15226.7 Ų26.766%0.66113%0.133SC*.THydrogen-bonded Turntrans-132.999.2-179.4-69-177.5177.2176.40109.7S491 H585S491-K493 PolarHBondContact OG-N 3.35Å; S491-K493 PolarHBondContact OG-O 2.99Å; K493-H585 HydrophobicContact CD-CB 3.94Å; K493-H585 HydrophobicContact CG-CB 4.08Å; K493-H585 PolarHBondContact N-ND1 3.08Å
494P93.3Very high95.6Very high96 Ų9627.8 Ų27.862%0.62314%0.137SC*.THydrogen-bonded Turncis-67.4162.6-9.131.8-35.2000111.6S491 V492 I496S491-P494 CarbonylContact C-O 3.59Å; S491-P494 VanDerWaalsContact C-O 3.28Å; S491-P494 VanDerWaalsContact CB-O 3.29Å; S491-P494 WeakPolarHBondContact CB-O 3.1Å; S491-P494 PolarHBondContact OG-O 3Å; V492-P494 CarbonylContact C-O 3.57Å; V492-P494 VanDerWaalsContact C-O 3.29Å; V492-P494 CarbonylContact O-C 3.2Å; V492-P494 VanDerWaalsContact O-C 3.3Å; P494-I496 HydrophobicContact CG-CD1 4.06Å; P494-I496 HydrophobicContact CG-CG1 4.04Å; P494-I496 PolarHBondContact O-N 3.31Å
495L95.7Very high95.5Very high53 Ų5326.8 Ų26.828%0.27713%0.133SC..EExtended strand (participates in β ladder)trans-68.8112.6174.6-176.361.5000109.3L489 S491 V492 L497 F571 Q572L489-L495 HydrophobicContact CD1-CD1 3.78Å; S491-L495 CarbonylContact O-C 3.3Å; S491-L495 WeakPolarHBondContact O-CA 3.06Å; V492-L495 PolarHBondContact O-N 3.01Å; V492-L495 VanDerWaalsContact O-N 3.16Å; L495-L497 HydrophobicContact CD1-CD1 4.18Å; L495-L497 HydrophobicContact CD1-CD2 4.17Å; L495-L497 HydrophobicContact CD1-CG 4.01Å; L495-L497 HydrophobicContact CD2-CD1 4Å; L495-L497 HydrophobicContact CG-CD1 3.99Å; L495-L497 HydrophobicContact CG-CG 4.05Å; L495-F571 HydrophobicContact CD1-CB 4.28Å; L495-F571 HydrophobicContact CD2-CB 4.33Å; L495-Q572 HydrophobicContact CD2-CG 3.63Å
496I95.7Very high95.2Very high39 Ų3927.4 Ų27.420%0.214%0.136CC..EExtended strand (participates in β ladder)trans-122.5108.9-179.7-56.7176.1000108.3R490 S491 P494 Y498R490-I496 HydrophobicContact CB-CB 4.29Å; R490-I496 HydrophobicContact CB-CG2 4.13Å; R490-I496 PolarHBondContact N-O 2.66Å; S491-I496 PolarHBondContact O-N 2.84Å; P494-I496 HydrophobicContact CG-CD1 4.06Å; P494-I496 HydrophobicContact CG-CG1 4.04Å; P494-I496 PolarHBondContact O-N 3.31Å; I496-Y498 HydrophobicContact CG2-CD2 4.29Å; I496-Y498 HydrophobicContact CG2-CE2 3.37Å
497L97.3Very high95Very high5 Ų527.2 Ų27.23%0.02614%0.135CC..EExtended strand (participates in β ladder)trans-118.5145.3-177.2-64.4169.2000111V487 L488 L489 L495 V568 F571 L659V487-L497 HydrophobicContact CG1-CD2 4.32Å; L488-L497 WeakPolarHBondContact O-CA 3.21Å; L489-L497 HydrophobicContact CB-CD2 4.23Å; L489-L497 HydrophobicContact CD1-CD2 3.58Å; L489-L497 HydrophobicContact CG-CD2 4.49Å; L495-L497 HydrophobicContact CD1-CD1 4.18Å; L495-L497 HydrophobicContact CD1-CD2 4.17Å; L495-L497 HydrophobicContact CD1-CG 4.01Å; L495-L497 HydrophobicContact CD2-CD1 4Å; L495-L497 HydrophobicContact CG-CD1 3.99Å; L495-L497 HydrophobicContact CG-CG 4.05Å; L497-V568 HydrophobicContact CD1-CG2 4.4Å; L497-F571 HydrophobicContact CD1-CB 3.62Å; L497-F571 HydrophobicContact CD1-CD2 4.33Å; L497-F571 HydrophobicContact CD1-CG 3.97Å; L497-F571 HydrophobicContact CD2-CB 4.01Å; L497-F571 HydrophobicContact CD2-CD1 3.49Å; L497-F571 VanDerWaalsContact CD2-CD1 3.49Å; L497-F571 HydrophobicContact CD2-CD2 4.18Å; L497-F571 HydrophobicContact CD2-CE1 3.89Å; L497-F571 HydrophobicContact CD2-CG 3.63Å; L497-F571 HydrophobicContact CD2-CZ 4.38Å; L497-F571 HydrophobicContact CG-CB 4.41Å; L497-F571 HydrophobicContact CG-CG 4.46Å; L497-L659 HydrophobicContact CB-CB 3.96Å; L497-L659 HydrophobicContact CB-CD1 4.15Å; L497-L659 PolarHBondContact O-N 3.25Å
498Y96.7Very high94.7Very high19 Ų1927.2 Ų27.28%0.07514%0.135CC..EExtended strand (participates in β ladder)trans-133.9156.8169.4-56.1-97.1000109.7V487 L488 R490 I496 I656 H657 K658V487-Y498 CarbonylContact C-O 3.45Å; V487-Y498 WeakPolarHBondContact CA-O 3.44Å; V487-Y498 WeakPolarHBondContact CG1-O 3.43Å; L488-Y498 PolarHBondContact N-O 2.83Å; L488-Y498 PolarHBondContact O-N 3.33Å; R490-Y498 HydrophobicContact CB-CE2 4.16Å; R490-Y498 PolarHBondContact NH2-OH 2.83Å; I496-Y498 HydrophobicContact CG2-CD2 4.29Å; I496-Y498 HydrophobicContact CG2-CE2 3.37Å; Y498-I656 VanDerWaalsContact CB-CG2 3.48Å; Y498-I656 HydrophobicContact CD1-CG2 3.67Å; Y498-I656 HydrophobicContact CG-CG2 3.84Å; Y498-H657 CarbonylContact C-O 3.55Å; Y498-H657 WeakPolarHBondContact CA-O 3.46Å; Y498-H657 WeakPolarHBondContact CB-O 3.48Å; Y498-K658 VanDerWaalsContact CD1-CA 3.48Å; Y498-K658 HydrophobicContact CD1-CB 3.73Å; Y498-K658 HydrophobicContact CD1-CG 4.03Å; Y498-K658 HydrophobicContact CE1-CB 3.67Å; Y498-K658 HydrophobicContact CE1-CD 4.15Å; Y498-K658 HydrophobicContact CE1-CG 3.73Å
499T96.6Very high94.3Very high1 Ų128.3 Ų28.31%0.00614%0.141CC..EExtended strand (participates in β ladder)trans-117.4149.1165-175.50000109.5V486 I656 H657 L659V486-T499 CarbonylContact O-C 3.54Å; V486-T499 VanDerWaalsContact O-CA 3.28Å; V486-T499 WeakPolarHBondContact O-CA 3.5Å; V486-T499 PolarHBondContact O-OG1 3.15Å; T499-I656 WeakPolarHBondContact O-CA 3.38Å; T499-H657 HydrophobicContact CG2-CB 3.94Å; T499-H657 PolarHBondContact N-O 3.43Å; T499-H657 PolarHBondContact O-N 3.08Å; T499-L659 HydrophobicContact CG2-CD2 3.8Å; T499-L659 HydrophobicContact CG2-CG 4.13Å
500Y95.7Very high94.1Very high1 Ų131.7 Ų31.70%0.00416%0.155CC..EExtended strand (participates in β ladder)trans-66.6140163.5-156.4-106.3000109V486 V502 W504 F637 D640 N655 I656V486-Y500 PolarHBondContact O-N 3.3Å; Y500-V502 HydrophobicContact CD1-CB 3.75Å; Y500-V502 HydrophobicContact CD1-CG2 4.28Å; Y500-V502 HydrophobicContact CE1-CB 3.83Å; Y500-V502 HydrophobicContact CE1-CG2 3.96Å; Y500-V502 PolarHBondContact O-N 2.71Å; Y500-W504 AromaticContact CD1-CH2 3.56Å; Y500-W504 HydrophobicContact CD1-CH2 3.56Å; Y500-W504 HydrophobicContact CD1-CZ2 4.4Å; Y500-W504 HydrophobicContact CD1-CZ3 4.25Å; Y500-W504 HydrophobicContact CE1-CH2 4.04Å; Y500-W504 HydrophobicContact CE1-CZ2 4.5Å; Y500-W504 HydrophobicContact CG-CH2 4.33Å; Y500-F637 HydrophobicContact CD1-CD2 4.18Å; Y500-F637 HydrophobicContact CD1-CE2 4.2Å; Y500-F637 HydrophobicContact CD2-CD2 4.04Å; Y500-F637 HydrophobicContact CD2-CE2 4.12Å; Y500-F637 AromaticContact CE1-CD2 3.88Å; Y500-F637 HydrophobicContact CE1-CD2 3.88Å; Y500-F637 HydrophobicContact CE1-CE2 4.36Å; Y500-F637 AromaticContact CE2-CD2 3.73Å; Y500-F637 HydrophobicContact CE2-CD2 3.73Å; Y500-F637 HydrophobicContact CE2-CE2 4.29Å; Y500-F637 HydrophobicContact CG-CD2 4.26Å; Y500-F637 HydrophobicContact CG-CE2 4.08Å; Y500-F637 AromaticContact CZ-CD2 3.64Å; Y500-D640 HydrophobicContact CE2-CB 3.92Å; Y500-D640 PolarHBondContact OH-OD2 3.29Å; Y500-N655 CarbonylContact C-O 2.8Å; Y500-N655 WeakPolarHBondContact CA-O 3.45Å; Y500-N655 HydrophobicContact CD2-CB 4.38Å; Y500-N655 WeakPolarHBondContact CD2-O 3.28Å; Y500-N655 HydrophobicContact CE1-CB 4.09Å; Y500-N655 HydrophobicContact CE2-CB 3.69Å; Y500-I656 HydrophobicContact CD2-CG1 4.08Å
501K94.3Very high94.1Very high96 Ų9633.2 Ų33.242%0.41717%0.168SC..SBendtrans-68-20.7-177-72.8177.1-1751500112.6C651 C654 N655 I656 H657K501-C651 PolarHBondContact NZ-O 3.17Å; K501-C654 PolarHBondContact NZ-O 3.3Å; K501-N655 PolarHBondContact N-O 3.24Å; K501-I656 WeakPolarHBondContact CE-O 3.37Å; K501-H657 HydrophobicContact CG-CB 4.13Å
502V94.8Very high94.1Very high11 Ų1133.6 Ų33.67%0.06717%0.167CC..  trans-97.5128.9174.91800000108.6Y500 W504Y500-V502 HydrophobicContact CD1-CB 3.75Å; Y500-V502 HydrophobicContact CD1-CG2 4.28Å; Y500-V502 HydrophobicContact CE1-CB 3.83Å; Y500-V502 HydrophobicContact CE1-CG2 3.96Å; Y500-V502 PolarHBondContact O-N 2.71Å; V502-W504 HydrophobicContact CB-CH2 4.43Å; V502-W504 HydrophobicContact CB-CZ2 4.5Å; V502-W504 HydrophobicContact CG1-CZ2 4.2Å; V502-W504 WeakPolarHBondContact O-CZ3 3.31Å
503F95.9Very high94Very high7 Ų736.6 Ų36.63%0.03118%0.182CC..  trans-105.8152.3167.157.4-97.2000110I483 R484 Y485 L505 C540 F543 V544 W556I483-F503 HydrophobicContact CG2-CB 4.13Å; I483-F503 HydrophobicContact CG2-CD2 3.57Å; I483-F503 HydrophobicContact CG2-CE2 4.26Å; I483-F503 HydrophobicContact CG2-CG 4.08Å; R484-F503 WeakPolarHBondContact O-CA 3.28Å; Y485-F503 HydrophobicContact CD1-CB 4.19Å; Y485-F503 HydrophobicContact CD2-CB 4.05Å; Y485-F503 HydrophobicContact CE1-CB 4Å; Y485-F503 HydrophobicContact CE1-CD1 4.09Å; Y485-F503 HydrophobicContact CE1-CG 4.4Å; Y485-F503 HydrophobicContact CE2-CB 3.84Å; Y485-F503 HydrophobicContact CE2-CD1 4.37Å; Y485-F503 HydrophobicContact CE2-CG 4.12Å; Y485-F503 HydrophobicContact CG-CB 4.22Å; Y485-F503 AromaticContact CZ-CD1 3.71Å; Y485-F503 AromaticContact CZ-CG 3.9Å; Y485-F503 WeakPolarHBondContact OH-CD1 3.49Å; F503-L505 HydrophobicContact CD2-CD1 4.5Å; F503-L505 HydrophobicContact CD2-CD2 4.38Å; F503-L505 HydrophobicContact CD2-CG 4.19Å; F503-L505 HydrophobicContact CE2-CD1 4.06Å; F503-L505 HydrophobicContact CE2-CD2 4.18Å; F503-L505 HydrophobicContact CE2-CG 4.13Å; F503-C540 HydrophobicContact CD1-CB 3.85Å; F503-C540 HydrophobicContact CD2-CB 3.84Å; F503-C540 HydrophobicContact CE1-CB 3.62Å; F503-C540 HydrophobicContact CE2-CB 3.62Å; F503-C540 HydrophobicContact CG-CB 3.97Å; F503-C540 HydrophobicContact CZ-CB 3.5Å; F503-F543 AromaticContact CE2-CD1 3.75Å; F503-F543 HydrophobicContact CE2-CD1 3.75Å; F503-F543 HydrophobicContact CE2-CE1 4.16Å; F503-F543 AromaticContact CZ-CD1 3.92Å; F503-F543 HydrophobicContact CZ-CD1 3.92Å; F503-F543 HydrophobicContact CZ-CE1 4.38Å; F503-V544 HydrophobicContact CE1-CG2 4.42Å; F503-V544 HydrophobicContact CZ-CG2 3.99Å; F503-W556 HydrophobicContact CD1-CZ2 4.5Å; F503-W556 AromaticContact CE1-CE2 3.86Å; F503-W556 AromaticContact CE1-CZ2 3.79Å; F503-W556 HydrophobicContact CE1-CZ2 3.79Å; F503-W556 AromaticContact CE1-NE1 3.52Å; F503-W556 AromaticContact CE2-CZ2 3.92Å; F503-W556 HydrophobicContact CE2-CZ2 3.92Å; F503-W556 AromaticContact CZ-CE2 3.57Å; F503-W556 HydrophobicContact CZ-CH2 4.43Å; F503-W556 AromaticContact CZ-CZ2 3.45Å; F503-W556 HydrophobicContact CZ-CZ2 3.45Å; F503-W556 VanDerWaalsContact CZ-CZ2 3.45Å; F503-W556 AromaticContact CZ-NE1 3.6Å
504W94.6Very high93.9Very high22 Ų2231.5 Ų31.58%0.08316%0.162CC..EExtended strand (participates in β ladder)trans-106.8137.5-178-68.7-94.3000110.9R484 V486 Y500 V502 A630 F637R484-W504 HydrophobicContact CB-CB 4.29Å; R484-W504 PolarHBondContact N-O 3.28Å; R484-W504 PolarHBondContact O-N 2.87Å; V486-W504 HydrophobicContact CB-CZ3 3.97Å; V486-W504 HydrophobicContact CG2-CE3 3.99Å; V486-W504 HydrophobicContact CG2-CH2 4.08Å; V486-W504 HydrophobicContact CG2-CZ3 3.35Å; Y500-W504 AromaticContact CD1-CH2 3.56Å; Y500-W504 HydrophobicContact CD1-CH2 3.56Å; Y500-W504 HydrophobicContact CD1-CZ2 4.4Å; Y500-W504 HydrophobicContact CD1-CZ3 4.25Å; Y500-W504 HydrophobicContact CE1-CH2 4.04Å; Y500-W504 HydrophobicContact CE1-CZ2 4.5Å; Y500-W504 HydrophobicContact CG-CH2 4.33Å; V502-W504 HydrophobicContact CB-CH2 4.43Å; V502-W504 HydrophobicContact CB-CZ2 4.5Å; V502-W504 HydrophobicContact CG1-CZ2 4.2Å; V502-W504 WeakPolarHBondContact O-CZ3 3.31Å; W504-A630 HydrophobicContact CH2-CB 3.9Å; W504-A630 HydrophobicContact CZ2-CB 3.28Å; W504-F637 HydrophobicContact CH2-CD2 4.18Å; W504-F637 AromaticContact CH2-CE2 3.67Å; W504-F637 HydrophobicContact CH2-CE2 3.67Å; W504-F637 HydrophobicContact CH2-CZ 4.48Å; W504-F637 HydrophobicContact CZ2-CE2 4.33Å
505L94.4Very high93.6Very high4 Ų431.9 Ų31.92%0.02116%0.158CC..EExtended strand (participates in β ladder)trans-105.6150178.7-63.9149.6000109.9F481 D482 I483 F503 F507 F543 R629F481-L505 HydrophobicContact CD2-CD2 3.92Å; F481-L505 HydrophobicContact CE2-CD2 4.32Å; D482-L505 WeakPolarHBondContact O-CA 3.34Å; I483-L505 HydrophobicContact CD1-CD2 4.49Å; I483-L505 HydrophobicContact CG1-CD2 4.05Å; I483-L505 HydrophobicContact CG2-CD2 4.2Å; F503-L505 HydrophobicContact CD2-CD1 4.5Å; F503-L505 HydrophobicContact CD2-CD2 4.38Å; F503-L505 HydrophobicContact CD2-CG 4.19Å; F503-L505 HydrophobicContact CE2-CD1 4.06Å; F503-L505 HydrophobicContact CE2-CD2 4.18Å; F503-L505 HydrophobicContact CE2-CG 4.13Å; L505-F507 HydrophobicContact CB-CD2 4.46Å; L505-F507 HydrophobicContact CB-CE2 3.6Å; L505-F507 HydrophobicContact CB-CZ 3.75Å; L505-F507 HydrophobicContact CD1-CE2 4.48Å; L505-F507 HydrophobicContact CD1-CZ 4.07Å; L505-F507 HydrophobicContact CD2-CZ 4.46Å; L505-F507 HydrophobicContact CG-CZ 4.31Å; L505-F543 HydrophobicContact CD1-CB 3.32Å; L505-F543 HydrophobicContact CD1-CD1 3.84Å; L505-F543 HydrophobicContact CD1-CD2 3.54Å; L505-F543 HydrophobicContact CD1-CE2 4.29Å; L505-F543 HydrophobicContact CD1-CG 3.27Å; L505-F543 HydrophobicContact CD2-CD1 4.24Å; L505-F543 HydrophobicContact CD2-CD2 4.05Å; L505-F543 HydrophobicContact CD2-CE1 4.13Å; L505-F543 HydrophobicContact CD2-CE2 3.93Å; L505-F543 HydrophobicContact CD2-CG 4.2Å; L505-F543 HydrophobicContact CD2-CZ 3.98Å; L505-F543 HydrophobicContact CG-CD2 4.43Å; L505-F543 HydrophobicContact CG-CG 4.36Å; L505-R629 PolarHBondContact O-NH1 3.37Å; L505-R629 VanDerWaalsContact O-NH1 3.09Å
506R92.2Very high93Very high15 Ų1532.8 Ų32.86%0.05716%0.164CC..EExtended strand (participates in β ladder)trans-135.4136.8164.3-52172-79.7-160-4.5108.3F481 D482 T525 D596F481-R506 CarbonylContact C-O 3.56Å; F481-R506 WeakPolarHBondContact CA-O 3.3Å; F481-R506 WeakPolarHBondContact CB-O 3.45Å; D482-R506 VanDerWaalsContact CG-NH2 3.3Å; D482-R506 PolarHBondContact N-O 2.96Å; D482-R506 PolarHBondContact O-N 3.26Å; D482-R506 VanDerWaalsContact O-N 3.08Å; D482-R506 WeakPolarHBondContact OD1-CB 3.41Å; D482-R506 IonicContact OD1-CZ 3.2Å; D482-R506 IonicContact OD1-NE 3.96Å; D482-R506 PolarHBondContact OD1-NE 3.1Å; D482-R506 IonicContact OD1-NH2 3.79Å; D482-R506 PolarHBondContact OD1-NH2 2.99Å; D482-R506 IonicContact OD2-CZ 2.8Å; D482-R506 IonicContact OD2-NE 2.79Å; D482-R506 PolarHBondContact OD2-NE 2.9Å; D482-R506 IonicContact OD2-NH2 3.23Å; D482-R506 PolarHBondContact OD2-NH2 2.68Å; R506-T525 WeakPolarHBondContact CB-O 3.46Å; R506-D596 IonicContact CZ-OD2 3.67Å; R506-D596 IonicContact NH1-OD2 2.71Å; R506-D596 IonicContact NH2-OD1 2.82Å; R506-D596 IonicContact NH2-OD2 2.97Å; R506-D596 PolarHBondContact NH2-OD2 3.46Å
507F93.3Very high92.6Very high1 Ų132.5 Ų32.50%0.00416%0.161CC..EExtended strand (participates in β ladder)trans-116.8142.3-174-59.9-88.3000110F470 V479 F481 L505 K536 I538 F543F470-F507 HydrophobicContact CB-CD1 4.23Å; F470-F507 HydrophobicContact CB-CE1 3.95Å; F470-F507 AromaticContact CD1-CD1 3.87Å; F470-F507 HydrophobicContact CD1-CD1 3.87Å; F470-F507 AromaticContact CD1-CE1 3.44Å; F470-F507 HydrophobicContact CD1-CE1 3.44Å; F470-F507 VanDerWaalsContact CD1-CE1 3.44Å; F470-F507 HydrophobicContact CD1-CZ 4.3Å; F470-F507 HydrophobicContact CD2-CE1 4.38Å; F470-F507 AromaticContact CE1-CE1 3.99Å; F470-F507 HydrophobicContact CE1-CE1 3.99Å; F470-F507 HydrophobicContact CE1-CZ 4.43Å; F470-F507 HydrophobicContact CG-CD1 4.26Å; F470-F507 AromaticContact CG-CE1 3.66Å; F470-F507 HydrophobicContact CG-CE1 3.66Å; V479-F507 HydrophobicContact CG2-CB 4.32Å; V479-F507 HydrophobicContact CG2-CD1 4.34Å; F481-F507 HydrophobicContact CB-CD1 3.53Å; F481-F507 HydrophobicContact CB-CE1 3.78Å; F481-F507 HydrophobicContact CB-CG 4.32Å; F481-F507 HydrophobicContact CG-CD1 4.42Å; F481-F507 HydrophobicContact CG-CE1 4.26Å; L505-F507 HydrophobicContact CB-CD2 4.46Å; L505-F507 HydrophobicContact CB-CE2 3.6Å; L505-F507 HydrophobicContact CB-CZ 3.75Å; L505-F507 HydrophobicContact CD1-CE2 4.48Å; L505-F507 HydrophobicContact CD1-CZ 4.07Å; L505-F507 HydrophobicContact CD2-CZ 4.46Å; L505-F507 HydrophobicContact CG-CZ 4.31Å; F507-K536 HydrophobicContact CB-CB 4.38Å; F507-K536 HydrophobicContact CD2-CB 4.23Å; F507-K536 HydrophobicContact CD2-CG 4.07Å; F507-I538 HydrophobicContact CE1-CD1 4.44Å; F507-I538 HydrophobicContact CE2-CB 4.04Å; F507-I538 HydrophobicContact CE2-CD1 3.95Å; F507-I538 HydrophobicContact CE2-CG1 3.91Å; F507-I538 HydrophobicContact CZ-CB 4.21Å; F507-I538 HydrophobicContact CZ-CD1 3.76Å; F507-I538 HydrophobicContact CZ-CG1 4.16Å; F507-F543 HydrophobicContact CE1-CD2 4.49Å; F507-F543 HydrophobicContact CE1-CE2 4.48Å; F507-F543 HydrophobicContact CZ-CD2 4.18Å
508A91.5Very high91.9Very high0 Ų035.2 Ų35.20%018%0.175CC..  trans-65.9155.3166.900000110.3R472 V479 K480 Y524 T525R472-A508 PolarHBondContact NH1-O 3.48Å; V479-A508 HydrophobicContact CB-CB 4.32Å; K480-A508 HydrophobicContact CB-CB 4.2Å; K480-A508 WeakPolarHBondContact O-CB 3.18Å; K480-A508 PolarHBondContact O-N 3.13Å; A508-Y524 WeakPolarHBondContact CB-O 3.28Å; A508-T525 HydrophobicContact CB-CG2 4.45Å
509N89.4Confident91.1Very high23 Ų2334.7 Ų34.712%0.12318%0.175CC..SBendtrans-100.6-5.4-177.3-76.9-25.6000113.4R472 L475 D521 M527 N534R472-N509 PolarHBondContact NH1-OD1 2.91Å; L475-N509 WeakPolarHBondContact CD1-O 3.46Å; N509-D521 HydrophobicContact CB-CB 4.18Å; N509-D521 PolarHBondContact N-O 3.11Å; N509-M527 VanDerWaalsContact ND2-CG 3.35Å; N509-M527 WeakPolarHBondContact ND2-CG 3.11Å; N509-N534 WeakPolarHBondContact ND2-CB 3.3Å; N509-N534 PolarHBondContact ND2-O 3.39Å; N509-N534 VanDerWaalsContact ND2-O 3.1Å; N509-N534 PolarHBondContact OD1-O 3.21Å
510K90.9Very high90.2Very high70 Ų7035.9 Ų35.930%0.30418%0.179SC..SBendtrans-123.4155.3171.2-75.6-177.8178.5148.40112V479 S519 D521 R522V479-K510 WeakPolarHBondContact CG1-O 3.21Å; K510-S519 PolarHBondContact NZ-OG 3.19Å; K510-D521 VanDerWaalsContact CD-CG 3.49Å; K510-D521 WeakPolarHBondContact CD-OD1 3.45Å; K510-D521 WeakPolarHBondContact CD-OD2 3.27Å; K510-D521 VanDerWaalsContact CE-CG 3.45Å; K510-D521 WeakPolarHBondContact CE-OD1 3.46Å; K510-D521 WeakPolarHBondContact CE-OD2 3.41Å; K510-D521 HydrophobicContact CG-CB 4.48Å; K510-D521 PolarHBondContact N-O 3.44Å; K510-D521 VanDerWaalsContact NZ-CG 3.26Å; K510-D521 IonicContact NZ-OD1 3.34Å; K510-D521 PolarHBondContact NZ-OD1 2.81Å; K510-D521 IonicContact NZ-OD2 3.74Å; K510-D521 PolarHBondContact NZ-OD2 3.41Å; K510-R522 HydrophobicContact CB-CB 3.96Å; K510-R522 HydrophobicContact CB-CG 4.39Å; K510-R522 HydrophobicContact CD-CB 4.42Å
511P94Very high89.4Confident52 Ų5238.2 Ų38.234%0.33819%0.192SC..  trans-55.8139.3173.4-21.932.4000111.5A477 N478 I513 R522A477-P511 HydrophobicContact CB-CB 3.87Å; A477-P511 HydrophobicContact CB-CG 3.57Å; N478-P511 WeakPolarHBondContact O-CA 3.39Å; P511-I513 PolarHBondContact O-N 3.08Å; P511-R522 WeakPolarHBondContact O-CG 3.26Å; P511-R522 PolarHBondContact O-NH1 3.13Å
512F93.9Very high89.1Confident28 Ų2835.3 Ų35.312%0.12318%0.178CC..  trans-73130.4176.4-179.2-98.1000111.1Y463 P467 L469 N478 K480 L514Y463-F512 HydrophobicContact CE1-CE2 4.43Å; Y463-F512 HydrophobicContact CE1-CZ 4.5Å; P467-F512 HydrophobicContact CG-CD1 4.01Å; P467-F512 HydrophobicContact CG-CD2 4.23Å; P467-F512 HydrophobicContact CG-CE1 3.57Å; P467-F512 HydrophobicContact CG-CE2 3.8Å; P467-F512 HydrophobicContact CG-CG 4.31Å; P467-F512 HydrophobicContact CG-CZ 3.44Å; P467-F512 VanDerWaalsContact CG-CZ 3.44Å; L469-F512 HydrophobicContact CD1-CB 3.97Å; L469-F512 HydrophobicContact CD1-CD1 4.1Å; L469-F512 HydrophobicContact CD1-CG 4.4Å; L469-F512 HydrophobicContact CD2-CB 3.52Å; L469-F512 HydrophobicContact CD2-CD1 3.95Å; L469-F512 HydrophobicContact CD2-CD2 4.43Å; L469-F512 HydrophobicContact CD2-CG 3.72Å; L469-F512 HydrophobicContact CG-CB 4.42Å; N478-F512 PolarHBondContact O-N 3.46Å; K480-F512 HydrophobicContact CB-CD2 4.12Å; K480-F512 HydrophobicContact CD-CD2 4.28Å; K480-F512 HydrophobicContact CD-CE2 4.31Å; F512-L514 HydrophobicContact CE1-CD2 3.89Å; F512-L514 HydrophobicContact CE1-CG 4.17Å; F512-L514 HydrophobicContact CE2-CD2 4.49Å; F512-L514 HydrophobicContact CZ-CD2 3.51Å; F512-L514 HydrophobicContact CZ-CG 4.28Å
513I91.4Very high88.6Confident73 Ų7334.9 Ų34.937%0.37418%0.176SC..  trans-141.4159.3167.259.6175.3000108.1P511 D515 H523P511-I513 PolarHBondContact O-N 3.08Å; I513-D515 HydrophobicContact CD1-CB 4.06Å; I513-D515 HydrophobicContact CG1-CB 4.34Å; I513-D515 PolarHBondContact O-N 2.9Å; I513-H523 PolarHBondContact O-CE1 2.97Å
514L90.4Very high88Confident46 Ų4635.9 Ų35.924%0.24118%0.179CC..SBendtrans-92.554.5174.7-65.9177.8000111H424 L426 Y463 T465 F512 F517H424-L514 WeakPolarHBondContact NE2-CD1 3.46Å; L426-L514 HydrophobicContact CD2-CD2 4.39Å; Y463-L514 HydrophobicContact CE1-CD2 4.38Å; T465-L514 HydrophobicContact CG2-CD2 4.36Å; F512-L514 HydrophobicContact CE1-CD2 3.89Å; F512-L514 HydrophobicContact CE1-CG 4.17Å; F512-L514 HydrophobicContact CE2-CD2 4.49Å; F512-L514 HydrophobicContact CZ-CD2 3.51Å; F512-L514 HydrophobicContact CZ-CG 4.28Å; L514-F517 VanDerWaalsContact C-CZ 3.44Å; L514-F517 WeakPolarHBondContact O-CZ 3.39Å
515D87.4Confident87.1Confident104 Ų10435.4 Ų35.456%0.55618%0.179SC*.SBendtrans-157.9170.8179.5-17217.1000108.3I513 F517 H523I513-D515 HydrophobicContact CD1-CB 4.06Å; I513-D515 HydrophobicContact CG1-CB 4.34Å; I513-D515 PolarHBondContact O-N 2.9Å; D515-F517 VanDerWaalsContact C-N 3.32Å; D515-F517 PolarHBondContact O-N 2.89Å; D515-H523 PolarHBondContact O-CE1 3.48Å; D515-H523 PolarHBondContact O-NE2 2.93Å
516D83.4Confident85.9Confident72 Ų7236.3 Ų36.339%0.38519%0.185SC..  trans56.846.7178.3-177.129.7000111.3D518 S519 R522 H523D516-D518 PolarHBondContact O-N 2.82Å; D516-S519 VanDerWaalsContact CG-CB 3.45Å; D516-S519 VanDerWaalsContact O-CB 3.23Å; D516-S519 WeakPolarHBondContact O-CB 3.43Å; D516-S519 PolarHBondContact O-N 3.48Å; D516-S519 WeakPolarHBondContact OD2-CB 3.48Å; D516-R522 IonicContact OD2-CZ 2.84Å; D516-R522 IonicContact OD2-NE 3.32Å; D516-R522 PolarHBondContact OD2-NE 3.25Å; D516-R522 IonicContact OD2-NH2 2.87Å; D516-H523 PolarHBondContact O-CD2 2.82Å; D516-H523 PolarHBondContact O-NE2 3.34Å
517F86.9Confident84.8Confident32 Ų3235.8 Ų35.814%0.1418%0.183CC..THydrogen-bonded Turntrans-61.7-16.1-171.8-62.5-59000115L426 I442 L514 D515 H523L426-F517 HydrophobicContact CD1-CD1 4.26Å; L426-F517 HydrophobicContact CD1-CD2 4.15Å; L426-F517 HydrophobicContact CD1-CE1 3.93Å; L426-F517 HydrophobicContact CD1-CE2 3.8Å; L426-F517 HydrophobicContact CD1-CG 4.38Å; L426-F517 HydrophobicContact CD1-CZ 3.68Å; L426-F517 HydrophobicContact CD2-CD1 4.1Å; L426-F517 HydrophobicContact CD2-CE1 3.3Å; L426-F517 HydrophobicContact CD2-CE2 4.46Å; L426-F517 HydrophobicContact CD2-CZ 3.53Å; L426-F517 HydrophobicContact CG-CE1 4.26Å; L426-F517 HydrophobicContact CG-CZ 4.28Å; I442-F517 HydrophobicContact CB-CB 4.04Å; I442-F517 HydrophobicContact CG2-CB 4.04Å; I442-F517 HydrophobicContact CG2-CD1 3.66Å; I442-F517 HydrophobicContact CG2-CE1 4.4Å; I442-F517 HydrophobicContact CG2-CG 3.98Å; I442-F517 VanDerWaalsContact O-CB 3.29Å; I442-F517 WeakPolarHBondContact O-CB 3.35Å; L514-F517 VanDerWaalsContact C-CZ 3.44Å; L514-F517 WeakPolarHBondContact O-CZ 3.39Å; D515-F517 VanDerWaalsContact C-N 3.32Å; D515-F517 PolarHBondContact O-N 2.89Å; F517-H523 AromaticContact CD1-CE1 3.58Å; F517-H523 AromaticContact CD1-NE2 3.91Å; F517-H523 AromaticContact CE1-CE1 3.97Å
518D81.8Confident83.2Confident62 Ų6237.7 Ų37.733%0.33219%0.193SC..THydrogen-bonded Turntrans-84.3-10.3174.2-68.9-58.2000112.8R448 D516 Y520R448-D518 IonicContact CZ-OD1 2.64Å; R448-D518 IonicContact CZ-OD2 3.47Å; R448-D518 IonicContact NH1-OD1 3.54Å; R448-D518 PolarHBondContact NH1-OD1 2.99Å; R448-D518 IonicContact NH1-OD2 3.71Å; R448-D518 PolarHBondContact NH1-OD2 3.01Å; R448-D518 IonicContact NH2-OD1 3.75Å; R448-D518 PolarHBondContact NH2-OD1 2.85Å; R448-D518 IonicContact NH2-OD2 3.41Å; D516-D518 PolarHBondContact O-N 2.82Å; D518-Y520 PolarHBondContact O-N 3.31Å
519S80Confident81.5Confident9 Ų942.1 Ų42.16%0.06321%0.21CC..  trans-71.9100.3173.4176.80000111.6K510 D516 D521 R522 H523K510-S519 PolarHBondContact NZ-OG 3.19Å; D516-S519 VanDerWaalsContact CG-CB 3.45Å; D516-S519 VanDerWaalsContact O-CB 3.23Å; D516-S519 WeakPolarHBondContact O-CB 3.43Å; D516-S519 PolarHBondContact O-N 3.48Å; D516-S519 WeakPolarHBondContact OD2-CB 3.48Å; S519-D521 PolarHBondContact O-N 3.15Å; S519-D521 PolarHBondContact OG-OD1 2.95Å; S519-R522 PolarHBondContact O-N 3.17Å; S519-R522 WeakPolarHBondContact OG-CB 3.26Å; S519-H523 PolarHBondContact O-CD2 3.43Å; S519-H523 PolarHBondContact O-N 3.12Å
520Y78.1Confident80.1Confident25 Ų2546.4 Ų46.410%0.09823%0.225CC..Hα-helixtrans-55.5-47.5-180-177.3-93.9000113.2D518 R522 Y524 V526 M527 R530D518-Y520 PolarHBondContact O-N 3.31Å; Y520-R522 PolarHBondContact O-N 3.47Å; Y520-R522 VanDerWaalsContact O-N 3.14Å; Y520-Y524 HydrophobicContact CD2-CD1 4.23Å; Y520-Y524 AromaticContact CD2-CD2 3.6Å; Y520-Y524 HydrophobicContact CD2-CD2 3.6Å; Y520-Y524 HydrophobicContact CD2-CE2 4.05Å; Y520-Y524 AromaticContact CD2-CG 3.68Å; Y520-Y524 HydrophobicContact CD2-CG 3.68Å; Y520-Y524 AromaticContact CE2-CD1 3.95Å; Y520-Y524 HydrophobicContact CE2-CD1 3.95Å; Y520-Y524 HydrophobicContact CE2-CD2 4.1Å; Y520-Y524 AromaticContact CE2-CG 3.67Å; Y520-Y524 HydrophobicContact CE2-CG 3.67Å; Y520-Y524 HydrophobicContact CG-CD2 4.11Å; Y520-Y524 HydrophobicContact CG-CG 4.37Å; Y520-Y524 VanDerWaalsContact O-CB 3.26Å; Y520-Y524 WeakPolarHBondContact O-CB 3.49Å; Y520-Y524 VanDerWaalsContact O-CD2 3.24Å; Y520-Y524 WeakPolarHBondContact O-CD2 3.46Å; Y520-Y524 PolarHBondContact O-N 2.86Å; Y520-Y524 VanDerWaalsContact O-N 3.08Å; Y520-V526 WeakPolarHBondContact CE1-O 3.31Å; Y520-V526 PolarHBondContact OH-O 2.97Å; Y520-M527 HydrophobicContact CD1-CE 4.22Å; Y520-M527 HydrophobicContact CD1-SD 4.3Å; Y520-M527 HydrophobicContact CE1-CE 4.02Å; Y520-M527 HydrophobicContact CE1-SD 3.99Å; Y520-R530 VanDerWaalsContact CD2-CZ 3.46Å; Y520-R530 HydrophobicContact CE1-CG 4.3Å; Y520-R530 VanDerWaalsContact CE2-CZ 3.49Å
521D79.5Confident78.4Confident50 Ų5045.3 Ų45.327%0.26723%0.226SC..Hα-helixtrans-71.1-5.5-175.854.2-18.4000115N509 K510 S519 M527N509-D521 HydrophobicContact CB-CB 4.18Å; N509-D521 PolarHBondContact N-O 3.11Å; K510-D521 VanDerWaalsContact CD-CG 3.49Å; K510-D521 WeakPolarHBondContact CD-OD1 3.45Å; K510-D521 WeakPolarHBondContact CD-OD2 3.27Å; K510-D521 VanDerWaalsContact CE-CG 3.45Å; K510-D521 WeakPolarHBondContact CE-OD1 3.46Å; K510-D521 WeakPolarHBondContact CE-OD2 3.41Å; K510-D521 HydrophobicContact CG-CB 4.48Å; K510-D521 PolarHBondContact N-O 3.44Å; K510-D521 VanDerWaalsContact NZ-CG 3.26Å; K510-D521 IonicContact NZ-OD1 3.34Å; K510-D521 PolarHBondContact NZ-OD1 2.81Å; K510-D521 IonicContact NZ-OD2 3.74Å; K510-D521 PolarHBondContact NZ-OD2 3.41Å; S519-D521 PolarHBondContact O-N 3.15Å; S519-D521 PolarHBondContact OG-OD1 2.95Å; D521-M527 HydrophobicContact CB-CE 4.42Å; D521-M527 HydrophobicContact CB-SD 4.47Å
522R86.4Confident76.5Confident36 Ų3646.4 Ų46.414%0.13624%0.24CC..Hα-helixtrans-100.5-48.4177.6-175.9-176.6-63.4-79.513.6113.1K510 P511 D516 S519 Y520K510-R522 HydrophobicContact CB-CB 3.96Å; K510-R522 HydrophobicContact CB-CG 4.39Å; K510-R522 HydrophobicContact CD-CB 4.42Å; P511-R522 WeakPolarHBondContact O-CG 3.26Å; P511-R522 PolarHBondContact O-NH1 3.13Å; D516-R522 IonicContact OD2-CZ 2.84Å; D516-R522 IonicContact OD2-NE 3.32Å; D516-R522 PolarHBondContact OD2-NE 3.25Å; D516-R522 IonicContact OD2-NH2 2.87Å; S519-R522 PolarHBondContact O-N 3.17Å; S519-R522 WeakPolarHBondContact OG-CB 3.26Å; Y520-R522 PolarHBondContact O-N 3.47Å; Y520-R522 VanDerWaalsContact O-N 3.14Å
523H85.1Confident74.7Confident2 Ų254.1 Ų54.11%0.00928%0.276CS..Hα-helixtrans-96.3-20-172.5-62.9-78.4000114.2I442 Y463 K480 I513 D515 D516 F517 S519I442-H523 HydrophobicContact CD1-CB 3.59Å; Y463-H523 PolarHBondContact OH-ND1 3.12Å; K480-H523 WeakPolarHBondContact CD-O 3.42Å; K480-H523 PolarHBondContact NZ-O 3.39Å; I513-H523 PolarHBondContact O-CE1 2.97Å; D515-H523 PolarHBondContact O-CE1 3.48Å; D515-H523 PolarHBondContact O-NE2 2.93Å; D516-H523 PolarHBondContact O-CD2 2.82Å; D516-H523 PolarHBondContact O-NE2 3.34Å; F517-H523 AromaticContact CD1-CE1 3.58Å; F517-H523 AromaticContact CD1-NE2 3.91Å; F517-H523 AromaticContact CE1-CE1 3.97Å; S519-H523 PolarHBondContact O-CD2 3.43Å; S519-H523 PolarHBondContact O-N 3.12Å
524Y82.5Confident73.5Confident27 Ų2755 Ų5511%0.10628%0.282CS..  trans-106.4158.7178.5-53.6-102.4000109.6I440 I442 A508 Y520 M527I440-Y524 HydrophobicContact CB-CE1 3.75Å; I440-Y524 WeakPolarHBondContact CB-OH 3.36Å; I440-Y524 HydrophobicContact CD1-CE1 4.08Å; I440-Y524 HydrophobicContact CG1-CE1 4.42Å; I440-Y524 HydrophobicContact CG2-CE1 3.65Å; I440-Y524 WeakPolarHBondContact CG2-OH 3.44Å; I440-Y524 PolarHBondContact O-OH 3.43Å; I442-Y524 HydrophobicContact CD1-CE2 4.16Å; A508-Y524 WeakPolarHBondContact CB-O 3.28Å; Y520-Y524 HydrophobicContact CD2-CD1 4.23Å; Y520-Y524 AromaticContact CD2-CD2 3.6Å; Y520-Y524 HydrophobicContact CD2-CD2 3.6Å; Y520-Y524 HydrophobicContact CD2-CE2 4.05Å; Y520-Y524 AromaticContact CD2-CG 3.68Å; Y520-Y524 HydrophobicContact CD2-CG 3.68Å; Y520-Y524 AromaticContact CE2-CD1 3.95Å; Y520-Y524 HydrophobicContact CE2-CD1 3.95Å; Y520-Y524 HydrophobicContact CE2-CD2 4.1Å; Y520-Y524 AromaticContact CE2-CG 3.67Å; Y520-Y524 HydrophobicContact CE2-CG 3.67Å; Y520-Y524 HydrophobicContact CG-CD2 4.11Å; Y520-Y524 HydrophobicContact CG-CG 4.37Å; Y520-Y524 VanDerWaalsContact O-CB 3.26Å; Y520-Y524 WeakPolarHBondContact O-CB 3.49Å; Y520-Y524 VanDerWaalsContact O-CD2 3.24Å; Y520-Y524 WeakPolarHBondContact O-CD2 3.46Å; Y520-Y524 PolarHBondContact O-N 2.86Å; Y520-Y524 VanDerWaalsContact O-N 3.08Å; Y524-M527 VanDerWaalsContact C-CE 3.49Å; Y524-M527 WeakPolarHBondContact O-CE 3.35Å
525T77Confident72.7Confident13 Ų1354.6 Ų54.68%0.0828%0.279CS..  trans-121.9-11.9-17646.20000111.6K480 D482 R506 A508 M527K480-T525 HydrophobicContact CB-CG2 4.47Å; K480-T525 HydrophobicContact CG-CG2 4.22Å; D482-T525 HydrophobicContact CB-CG2 4.44Å; D482-T525 WeakPolarHBondContact OD1-CB 3.41Å; D482-T525 PolarHBondContact OD1-OG1 3.09Å; R506-T525 WeakPolarHBondContact CB-O 3.46Å; A508-T525 HydrophobicContact CB-CG2 4.45Å; T525-M527 VanDerWaalsContact C-N 3.33Å; T525-M527 PolarHBondContact O-N 2.91Å
526V69.6Low72.5Confident23 Ų2353 Ų5314%0.13927%0.268CS..  trans-76.879.7178.1-173.60000110.2Y520 N528 Y529Y520-V526 WeakPolarHBondContact CE1-O 3.31Å; Y520-V526 PolarHBondContact OH-O 2.97Å; V526-N528 WeakPolarHBondContact CG1-OD1 3.4Å; V526-Y529 HydrophobicContact CG1-CD2 3.5Å; V526-Y529 VanDerWaalsContact CG1-CD2 3.5Å; V526-Y529 HydrophobicContact CG1-CE2 3.87Å
527M67.9Low72.6Confident4 Ų453.5 Ų53.52%0.0227%0.267CS..  trans-90.4-16.7-177.6-60.5-58.3148.600113.8N509 Y520 D521 Y524 T525 Y529 S531 L535N509-M527 VanDerWaalsContact ND2-CG 3.35Å; N509-M527 WeakPolarHBondContact ND2-CG 3.11Å; Y520-M527 HydrophobicContact CD1-CE 4.22Å; Y520-M527 HydrophobicContact CD1-SD 4.3Å; Y520-M527 HydrophobicContact CE1-CE 4.02Å; Y520-M527 HydrophobicContact CE1-SD 3.99Å; D521-M527 HydrophobicContact CB-CE 4.42Å; D521-M527 HydrophobicContact CB-SD 4.47Å; Y524-M527 VanDerWaalsContact C-CE 3.49Å; Y524-M527 WeakPolarHBondContact O-CE 3.35Å; T525-M527 VanDerWaalsContact C-N 3.33Å; T525-M527 PolarHBondContact O-N 2.91Å; M527-Y529 VanDerWaalsContact C-N 3.31Å; M527-Y529 PolarHBondContact O-N 2.84Å; M527-S531 CarbonylContact O-C 3.6Å; M527-S531 PolarHBondContact O-N 3.29Å; M527-L535 HydrophobicContact CB-CD1 4.15Å
528N59.2Low72.7Confident40 Ų4052.9 Ų52.921%0.21427%0.266CS..THydrogen-bonded Turntrans-65.2-26-173.658.5-43.5000114.5V526 L535V526-N528 WeakPolarHBondContact CG1-OD1 3.4Å; N528-L535 HydrophobicContact CB-CD1 4.39Å; N528-L535 HydrophobicContact CB-CD2 4.2Å
529Y57Low73.3Confident94 Ų9453.4 Ų53.437%0.36927%0.266SS..THydrogen-bonded Turntrans-97.8-12.6-176.1-58.9-63.1000115.1R436 V526 M527 D626R436-Y529 HydrophobicContact CB-CD2 4.19Å; R436-Y529 HydrophobicContact CG-CD2 4.09Å; R436-Y529 HydrophobicContact CG-CE2 4.11Å; V526-Y529 HydrophobicContact CG1-CD2 3.5Å; V526-Y529 VanDerWaalsContact CG1-CD2 3.5Å; V526-Y529 HydrophobicContact CG1-CE2 3.87Å; M527-Y529 VanDerWaalsContact C-N 3.31Å; M527-Y529 PolarHBondContact O-N 2.84Å; Y529-D626 PolarHBondContact OH-OD2 3.21Å
530R59.7Low73.9Confident112 Ų11253.1 Ų53.142%0.42326%0.264SS..THydrogen-bonded Turntrans-109.6-40.8-177.9-65.3-165.4-175.2-167.44113.5Y520Y520-R530 VanDerWaalsContact CD2-CZ 3.46Å; Y520-R530 HydrophobicContact CE1-CG 4.3Å; Y520-R530 VanDerWaalsContact CE2-CZ 3.49Å
531S54.6Low74.7Confident47 Ų4757 Ų5733%0.32929%0.286SS..  trans-149.889.3176.269.30000110.1M527 E533 N534M527-S531 CarbonylContact O-C 3.6Å; M527-S531 PolarHBondContact O-N 3.29Å; S531-E533 PolarHBondContact O-N 3.06Å; S531-E533 VanDerWaalsContact O-N 3.08Å; S531-N534 PolarHBondContact O-N 3.13Å; S531-N534 VanDerWaalsContact O-N 3.16Å
532A54.9Low75.5Confident76 Ų7659.4 Ų59.463%0.62830%0.296SS*.G310 helixtrans-56-28.4-178.700000113N534 L535A532-N534 PolarHBondContact O-N 3.13Å; A532-N534 VanDerWaalsContact O-N 3.11Å; A532-L535 PolarHBondContact O-N 3Å
533E55Low76Confident189 Ų18957.7 Ų57.788%0.88329%0.289SS*.G310 helixtrans-59.6-22.1-179.6-62.3-173.8172.700114S531S531-E533 PolarHBondContact O-N 3.06Å; S531-E533 VanDerWaalsContact O-N 3.08Å
534N66.5Low76.7Confident93 Ų9359.4 Ų59.450%0.49730%0.3SS..G310 helixtrans-108.215.7-178-63.6-36.1000113.6N509 S531 A532 K536N509-N534 WeakPolarHBondContact ND2-CB 3.3Å; N509-N534 PolarHBondContact ND2-O 3.39Å; N509-N534 VanDerWaalsContact ND2-O 3.1Å; N509-N534 PolarHBondContact OD1-O 3.21Å; S531-N534 PolarHBondContact O-N 3.13Å; S531-N534 VanDerWaalsContact O-N 3.16Å; A532-N534 PolarHBondContact O-N 3.13Å; A532-N534 VanDerWaalsContact O-N 3.11Å; N534-K536 PolarHBondContact O-N 3.09Å; N534-K536 VanDerWaalsContact O-N 3.17Å
535L74.5Confident77.4Confident37 Ų3763.8 Ų63.819%0.19432%0.321CS..  trans-77.7102.7-179.6-174.569000111.3M527 N528 A532 Q537M527-L535 HydrophobicContact CB-CD1 4.15Å; N528-L535 HydrophobicContact CB-CD1 4.39Å; N528-L535 HydrophobicContact CB-CD2 4.2Å; A532-L535 PolarHBondContact O-N 3Å; L535-Q537 HydrophobicContact CD2-CG 4.1Å; L535-Q537 HydrophobicContact CG-CG 4.03Å; L535-Q537 PolarHBondContact O-N 3.15Å
536K82.4Confident78.4Confident71 Ų7165.9 Ų65.931%0.30933%0.332SS..  trans-69.9125.7168.6-178.367.4177-175.20110.1F507 N534 I538F507-K536 HydrophobicContact CB-CB 4.38Å; F507-K536 HydrophobicContact CD2-CB 4.23Å; F507-K536 HydrophobicContact CD2-CG 4.07Å; N534-K536 PolarHBondContact O-N 3.09Å; N534-K536 VanDerWaalsContact O-N 3.17Å; K536-I538 HydrophobicContact CG-CD1 4.5Å; K536-I538 HydrophobicContact CG-CG1 4.33Å
537Q85.1Confident79.8Confident81 Ų8164.8 Ų64.838%0.37933%0.325SS..  trans-118.1132.2176.8-59.5-163.476.300110.2L535 Y633L535-Q537 HydrophobicContact CD2-CG 4.1Å; L535-Q537 HydrophobicContact CG-CG 4.03Å; L535-Q537 PolarHBondContact O-N 3.15Å; Q537-Y633 VanDerWaalsContact CD-OH 3.31Å; Q537-Y633 PolarHBondContact NE2-OH 2.92Å; Q537-Y633 VanDerWaalsContact OE1-CE2 3.24Å; Q537-Y633 PolarHBondContact OE1-OH 2.75Å
538I90.3Very high81.2Confident20 Ų2066.4 Ų66.410%0.10333%0.334CS..  trans-137.3128.2175.5-56.8-176.7000106.1F470 F507 K536 E542 F543F470-I538 HydrophobicContact CE1-CD1 3.53Å; F470-I538 HydrophobicContact CZ-CD1 3.75Å; F507-I538 HydrophobicContact CE1-CD1 4.44Å; F507-I538 HydrophobicContact CE2-CB 4.04Å; F507-I538 HydrophobicContact CE2-CD1 3.95Å; F507-I538 HydrophobicContact CE2-CG1 3.91Å; F507-I538 HydrophobicContact CZ-CB 4.21Å; F507-I538 HydrophobicContact CZ-CD1 3.76Å; F507-I538 HydrophobicContact CZ-CG1 4.16Å; K536-I538 HydrophobicContact CG-CD1 4.5Å; K536-I538 HydrophobicContact CG-CG1 4.33Å; I538-E542 HydrophobicContact CG2-CB 3.96Å; I538-E542 HydrophobicContact CG2-CG 4Å; I538-F543 HydrophobicContact CG2-CB 3.83Å
539H93.4Very high83.1Confident72 Ų7271.5 Ų71.533%0.33335%0.354SS..  trans-72.1146.6175.3-176.4-87.7000109.8N541 E542 F543 H634H539-N541 VanDerWaalsContact C-N 3.28Å; H539-N541 PolarHBondContact CE1-ND2 3.43Å; H539-N541 PolarHBondContact ND1-N 3.19Å; H539-N541 PolarHBondContact O-N 3.09Å; H539-N541 VanDerWaalsContact O-N 3.16Å; H539-E542 PolarHBondContact O-N 2.83Å; H539-F543 PolarHBondContact O-N 2.97Å; H539-H634 AromaticContact CD2-NE2 3.97Å; H539-H634 AromaticContact NE2-CE1 3.5Å; H539-H634 AromaticContact NE2-NE2 3.58Å
540C93.7Very high85Confident3 Ų369.7 Ų69.72%0.0235%0.349CS..Hα-helixtrans-52-44-17561.50000112.9F503 E542 F543 V544F503-C540 HydrophobicContact CD1-CB 3.85Å; F503-C540 HydrophobicContact CD2-CB 3.84Å; F503-C540 HydrophobicContact CE1-CB 3.62Å; F503-C540 HydrophobicContact CE2-CB 3.62Å; F503-C540 HydrophobicContact CG-CB 3.97Å; F503-C540 HydrophobicContact CZ-CB 3.5Å; C540-E542 PolarHBondContact O-N 3.21Å; C540-F543 WeakPolarHBondContact O-CB 3.27Å; C540-F543 PolarHBondContact O-N 3.27Å; C540-F543 VanDerWaalsContact O-N 3.14Å; C540-V544 VanDerWaalsContact O-CG2 3.31Å; C540-V544 WeakPolarHBondContact O-CG2 3.28Å; C540-V544 PolarHBondContact O-N 3.18Å
541N94.6Very high86.7Confident107 Ų10766.2 Ų66.257%0.57234%0.336SS*.Hα-helixtrans-57.5-45.3178.3-61.4-8.3000113H539 V544 E545H539-N541 VanDerWaalsContact C-N 3.28Å; H539-N541 PolarHBondContact CE1-ND2 3.43Å; H539-N541 PolarHBondContact ND1-N 3.19Å; H539-N541 PolarHBondContact O-N 3.09Å; H539-N541 VanDerWaalsContact O-N 3.16Å; N541-V544 PolarHBondContact O-N 2.96Å; N541-E545 PolarHBondContact O-N 3.47Å
542E96.5Very high88.7Confident100 Ų10067.5 Ų67.547%0.46734%0.343SS..Hα-helixtrans-67.2-41.9177-177.8-173.1170.400110.6I538 H539 C540 V544 E545 L546I538-E542 HydrophobicContact CG2-CB 3.96Å; I538-E542 HydrophobicContact CG2-CG 4Å; H539-E542 PolarHBondContact O-N 2.83Å; C540-E542 PolarHBondContact O-N 3.21Å; E542-V544 VanDerWaalsContact C-N 3.34Å; E542-V544 PolarHBondContact O-N 3.48Å; E542-E545 PolarHBondContact O-N 2.97Å; E542-L546 HydrophobicContact CG-CD1 4.01Å; E542-L546 WeakPolarHBondContact O-CG 3.36Å; E542-L546 PolarHBondContact O-N 3.43Å
543F97.5Very high90.5Very high0 Ų069.8 Ų69.80%035%0.345CS..Hα-helixtrans-59.1-44176.7170.1-95.4000112F470 F481 F503 L505 F507 I538 H539 C540 E545 L546 F547 W556F470-F543 AromaticContact CD2-CD2 3.92Å; F470-F543 HydrophobicContact CD2-CD2 3.92Å; F470-F543 AromaticContact CD2-CE2 3.59Å; F470-F543 HydrophobicContact CD2-CE2 3.59Å; F470-F543 AromaticContact CE2-CD2 3.7Å; F470-F543 HydrophobicContact CE2-CD2 3.7Å; F470-F543 AromaticContact CE2-CE2 3.86Å; F470-F543 HydrophobicContact CE2-CE2 3.86Å; F470-F543 HydrophobicContact CG-CE2 4.35Å; F470-F543 HydrophobicContact CZ-CD2 4.35Å; F481-F543 HydrophobicContact CD2-CE2 4.19Å; F481-F543 HydrophobicContact CD2-CZ 4.2Å; F481-F543 AromaticContact CE2-CE2 3.87Å; F481-F543 HydrophobicContact CE2-CE2 3.87Å; F481-F543 AromaticContact CE2-CZ 3.49Å; F481-F543 HydrophobicContact CE2-CZ 3.49Å; F481-F543 VanDerWaalsContact CE2-CZ 3.49Å; F481-F543 HydrophobicContact CZ-CE2 4.26Å; F481-F543 AromaticContact CZ-CZ 3.91Å; F481-F543 HydrophobicContact CZ-CZ 3.91Å; F503-F543 AromaticContact CE2-CD1 3.75Å; F503-F543 HydrophobicContact CE2-CD1 3.75Å; F503-F543 HydrophobicContact CE2-CE1 4.16Å; F503-F543 AromaticContact CZ-CD1 3.92Å; F503-F543 HydrophobicContact CZ-CD1 3.92Å; F503-F543 HydrophobicContact CZ-CE1 4.38Å; L505-F543 HydrophobicContact CD1-CB 3.32Å; L505-F543 HydrophobicContact CD1-CD1 3.84Å; L505-F543 HydrophobicContact CD1-CD2 3.54Å; L505-F543 HydrophobicContact CD1-CE2 4.29Å; L505-F543 HydrophobicContact CD1-CG 3.27Å; L505-F543 HydrophobicContact CD2-CD1 4.24Å; L505-F543 HydrophobicContact CD2-CD2 4.05Å; L505-F543 HydrophobicContact CD2-CE1 4.13Å; L505-F543 HydrophobicContact CD2-CE2 3.93Å; L505-F543 HydrophobicContact CD2-CG 4.2Å; L505-F543 HydrophobicContact CD2-CZ 3.98Å; L505-F543 HydrophobicContact CG-CD2 4.43Å; L505-F543 HydrophobicContact CG-CG 4.36Å; F507-F543 HydrophobicContact CE1-CD2 4.49Å; F507-F543 HydrophobicContact CE1-CE2 4.48Å; F507-F543 HydrophobicContact CZ-CD2 4.18Å; I538-F543 HydrophobicContact CG2-CB 3.83Å; H539-F543 PolarHBondContact O-N 2.97Å; C540-F543 WeakPolarHBondContact O-CB 3.27Å; C540-F543 PolarHBondContact O-N 3.27Å; C540-F543 VanDerWaalsContact O-N 3.14Å; F543-E545 VanDerWaalsContact C-N 3.33Å; F543-E545 PolarHBondContact O-N 3.09Å; F543-L546 PolarHBondContact O-N 2.81Å; F543-F547 HydrophobicContact CE1-CB 4.23Å; F543-F547 HydrophobicContact CE1-CD2 4.18Å; F543-F547 HydrophobicContact CE1-CG 4.37Å; F543-F547 HydrophobicContact CE2-CD2 4.3Å; F543-F547 HydrophobicContact CZ-CB 4.25Å; F543-F547 AromaticContact CZ-CD2 3.65Å; F543-F547 HydrophobicContact CZ-CD2 3.65Å; F543-F547 HydrophobicContact CZ-CE2 4.4Å; F543-F547 HydrophobicContact CZ-CG 4.24Å; F543-F547 WeakPolarHBondContact O-CB 3.24Å; F543-F547 PolarHBondContact O-N 3.05Å; F543-W556 HydrophobicContact CE1-CD2 4.18Å; F543-W556 AromaticContact CE1-CE3 3.72Å; F543-W556 HydrophobicContact CE1-CE3 3.72Å; F543-W556 AromaticContact CE1-CH2 3.83Å; F543-W556 HydrophobicContact CE1-CH2 3.83Å; F543-W556 HydrophobicContact CE1-CZ2 4.2Å; F543-W556 AromaticContact CE1-CZ3 3.54Å; F543-W556 HydrophobicContact CE1-CZ3 3.54Å; F543-W556 HydrophobicContact CZ-CE3 4.45Å; F543-W556 HydrophobicContact CZ-CZ3 4.07Å
544V98.3Very high92.4Very high38 Ų3862 Ų6223%0.2331%0.309CS..Hα-helixtrans-58.2-46.2178.2170.20000111.1F503 C540 N541 E542 L546 F547 D548 W556F503-V544 HydrophobicContact CE1-CG2 4.42Å; F503-V544 HydrophobicContact CZ-CG2 3.99Å; C540-V544 VanDerWaalsContact O-CG2 3.31Å; C540-V544 WeakPolarHBondContact O-CG2 3.28Å; C540-V544 PolarHBondContact O-N 3.18Å; N541-V544 PolarHBondContact O-N 2.96Å; E542-V544 VanDerWaalsContact C-N 3.34Å; E542-V544 PolarHBondContact O-N 3.48Å; V544-L546 VanDerWaalsContact C-N 3.35Å; V544-L546 PolarHBondContact O-N 2.81Å; V544-F547 PolarHBondContact O-N 2.84Å; V544-D548 WeakPolarHBondContact O-CB 3.37Å; V544-D548 PolarHBondContact O-N 3.48Å; V544-W556 HydrophobicContact CB-CG 4.34Å; V544-W556 HydrophobicContact CG1-CB 3.91Å; V544-W556 HydrophobicContact CG1-CG 4.1Å; V544-W556 HydrophobicContact CG2-CB 4.35Å; V544-W556 HydrophobicContact CG2-CD2 4.24Å; V544-W556 HydrophobicContact CG2-CG 3.66Å
545E98.1Very high93.8Very high119 Ų11961.6 Ų61.656%0.55630%0.303SS*.Hα-helixtrans-63-40.3177.8-68.9-176.8-166.300112.9N541 E542 F543 K549N541-E545 PolarHBondContact O-N 3.47Å; E542-E545 PolarHBondContact O-N 2.97Å; F543-E545 VanDerWaalsContact C-N 3.33Å; F543-E545 PolarHBondContact O-N 3.09Å; E545-K549 WeakPolarHBondContact O-CD 3.2Å; E545-K549 VanDerWaalsContact O-CG 3.25Å; E545-K549 WeakPolarHBondContact O-CG 3.28Å; E545-K549 PolarHBondContact O-N 3.07Å
546L97.8Very high94.9Very high57 Ų5760 Ų6030%0.29829%0.294SS..Hα-helixtrans-71.5-41.1178.8-67.4174.6000111.4F470 E542 F543 V544 K549 Q550F470-L546 HydrophobicContact CE2-CB 3.96Å; F470-L546 HydrophobicContact CZ-CB 4.03Å; F470-L546 HydrophobicContact CZ-CD1 3.9Å; E542-L546 HydrophobicContact CG-CD1 4.01Å; E542-L546 WeakPolarHBondContact O-CG 3.36Å; E542-L546 PolarHBondContact O-N 3.43Å; F543-L546 PolarHBondContact O-N 2.81Å; V544-L546 VanDerWaalsContact C-N 3.35Å; V544-L546 PolarHBondContact O-N 2.81Å; L546-K549 PolarHBondContact O-N 3.11Å; L546-Q550 WeakPolarHBondContact O-CB 3.47Å; L546-Q550 PolarHBondContact O-N 3.2Å
547F98.2Very high95.6Very high0 Ų060 Ų600%030%0.303CS..Hα-helixtrans-61.8-47.2177.2-173.9-86.8000111V468 F481 F543 V544 K549 Q550 Y551 H554 W556 V559 L599 I614V468-F547 HydrophobicContact CG1-CE2 3.97Å; V468-F547 HydrophobicContact CG1-CZ 4.37Å; F481-F547 HydrophobicContact CZ-CE2 4.31Å; F543-F547 HydrophobicContact CE1-CB 4.23Å; F543-F547 HydrophobicContact CE1-CD2 4.18Å; F543-F547 HydrophobicContact CE1-CG 4.37Å; F543-F547 HydrophobicContact CE2-CD2 4.3Å; F543-F547 HydrophobicContact CZ-CB 4.25Å; F543-F547 AromaticContact CZ-CD2 3.65Å; F543-F547 HydrophobicContact CZ-CD2 3.65Å; F543-F547 HydrophobicContact CZ-CE2 4.4Å; F543-F547 HydrophobicContact CZ-CG 4.24Å; F543-F547 WeakPolarHBondContact O-CB 3.24Å; F543-F547 PolarHBondContact O-N 3.05Å; V544-F547 PolarHBondContact O-N 2.84Å; F547-K549 PolarHBondContact O-N 3.36Å; F547-Q550 PolarHBondContact O-N 3.15Å; F547-Q550 VanDerWaalsContact O-N 3.1Å; F547-Y551 HydrophobicContact CD1-CD2 4.45Å; F547-Y551 AromaticContact CD2-CD2 3.9Å; F547-Y551 HydrophobicContact CD2-CD2 3.9Å; F547-Y551 HydrophobicContact CD2-CE2 4.3Å; F547-Y551 HydrophobicContact CE1-CD2 4.2Å; F547-Y551 AromaticContact CE2-CD2 3.6Å; F547-Y551 HydrophobicContact CE2-CD2 3.6Å; F547-Y551 AromaticContact CE2-CE2 3.95Å; F547-Y551 HydrophobicContact CE2-CE2 3.95Å; F547-Y551 HydrophobicContact CG-CD2 4.31Å; F547-Y551 AromaticContact CZ-CD2 3.77Å; F547-Y551 HydrophobicContact CZ-CD2 3.77Å; F547-Y551 HydrophobicContact CZ-CE2 4.46Å; F547-Y551 HydrophobicContact CZ-CG 4.5Å; F547-Y551 PolarHBondContact O-N 3.07Å; F547-H554 VanDerWaalsContact CE1-O 3.32Å; F547-H554 WeakPolarHBondContact CE1-O 3.28Å; F547-W556 HydrophobicContact CD1-CB 4.08Å; F547-W556 AromaticContact CD1-CE3 3.8Å; F547-W556 HydrophobicContact CD1-CE3 3.8Å; F547-W556 HydrophobicContact CD2-CE3 4.24Å; F547-W556 HydrophobicContact CD2-CZ3 4.49Å; F547-W556 AromaticContact CE1-CE3 3.87Å; F547-W556 HydrophobicContact CE1-CE3 3.87Å; F547-W556 HydrophobicContact CE2-CE3 4.31Å; F547-W556 HydrophobicContact CE2-CZ3 4.35Å; F547-W556 AromaticContact CG-CE3 3.98Å; F547-W556 HydrophobicContact CG-CE3 3.98Å; F547-W556 HydrophobicContact CZ-CE3 4.12Å; F547-W556 HydrophobicContact CZ-CZ3 4.38Å; F547-V559 HydrophobicContact CE1-CG2 4.27Å; F547-V559 HydrophobicContact CZ-CG2 4.45Å; F547-L599 HydrophobicContact CE2-CD1 4.49Å; F547-I614 HydrophobicContact CE1-CD1 4.44Å; F547-I614 HydrophobicContact CZ-CD1 3.77Å
548D98.4Very high96.1Very high39 Ų3959.7 Ų59.721%0.20931%0.307CS..Hα-helixtrans-65.5-23.5178.9-85.91.6000113.9V544 P552 K555 W556V544-D548 WeakPolarHBondContact O-CB 3.37Å; V544-D548 PolarHBondContact O-N 3.48Å; D548-P552 WeakPolarHBondContact O-CA 3.37Å; D548-K555 HydrophobicContact CB-CD 4.18Å; D548-K555 PolarHBondContact O-NZ 3.04Å; D548-K555 WeakPolarHBondContact OD1-CA 3.45Å; D548-W556 PolarHBondContact OD1-N 2.89Å
549K98Very high96.5Very high147 Ų14758.9 Ų58.964%0.63930%0.303SS*.Hα-helixtrans-79.6-40.7171.8-73.2167.7-172.7163.80111.4E545 L546 F547E545-K549 WeakPolarHBondContact O-CD 3.2Å; E545-K549 VanDerWaalsContact O-CG 3.25Å; E545-K549 WeakPolarHBondContact O-CG 3.28Å; E545-K549 PolarHBondContact O-N 3.07Å; L546-K549 PolarHBondContact O-N 3.11Å; F547-K549 PolarHBondContact O-N 3.36Å
550Q97.6Very high96.7Very high55 Ų5557.7 Ų57.726%0.25730%0.297SS..Hα-helixtrans-71.1-37.4179.2-173.8174.1-3500111.9L469 L546 F547 P552L469-Q550 PolarHBondContact O-NE2 2.96Å; L546-Q550 WeakPolarHBondContact O-CB 3.47Å; L546-Q550 PolarHBondContact O-N 3.2Å; F547-Q550 PolarHBondContact O-N 3.15Å; F547-Q550 VanDerWaalsContact O-N 3.1Å; Q550-P552 WeakPolarHBondContact O-CD 3.03Å
551Y96.7Very high96.8Very high39 Ų3962.3 Ų62.315%0.15332%0.321CS..  trans-125.573.5-177.3-59.2-63.2000111.1V468 L469 F547 D553 H554 W601V468-Y551 HydrophobicContact CG1-CD2 4.33Å; V468-Y551 HydrophobicContact CG1-CE2 3.64Å; L469-Y551 WeakPolarHBondContact O-CE2 3.43Å; L469-Y551 PolarHBondContact O-OH 2.58Å; F547-Y551 HydrophobicContact CD1-CD2 4.45Å; F547-Y551 AromaticContact CD2-CD2 3.9Å; F547-Y551 HydrophobicContact CD2-CD2 3.9Å; F547-Y551 HydrophobicContact CD2-CE2 4.3Å; F547-Y551 HydrophobicContact CE1-CD2 4.2Å; F547-Y551 AromaticContact CE2-CD2 3.6Å; F547-Y551 HydrophobicContact CE2-CD2 3.6Å; F547-Y551 AromaticContact CE2-CE2 3.95Å; F547-Y551 HydrophobicContact CE2-CE2 3.95Å; F547-Y551 HydrophobicContact CG-CD2 4.31Å; F547-Y551 AromaticContact CZ-CD2 3.77Å; F547-Y551 HydrophobicContact CZ-CD2 3.77Å; F547-Y551 HydrophobicContact CZ-CE2 4.46Å; F547-Y551 HydrophobicContact CZ-CG 4.5Å; F547-Y551 PolarHBondContact O-N 3.07Å; Y551-D553 VanDerWaalsContact C-N 3.27Å; Y551-D553 PolarHBondContact O-N 2.96Å; Y551-H554 CarbonylContact O-C 3.5Å; Y551-H554 PolarHBondContact O-N 3.01Å; Y551-W601 HydrophobicContact CD1-CH2 4.22Å; Y551-W601 AromaticContact CD1-CZ2 3.96Å; Y551-W601 HydrophobicContact CD1-CZ2 3.96Å; Y551-W601 HydrophobicContact CE1-CH2 4.43Å; Y551-W601 AromaticContact CE1-CZ2 3.72Å; Y551-W601 HydrophobicContact CE1-CZ2 3.72Å
552P94.8Very high97Very high74 Ų7459.3 Ų59.348%0.48130%0.303SS..THydrogen-bonded Turntrans-63.5-29.1-173.324.6-34.4000114.2D548 Q550 K555D548-P552 WeakPolarHBondContact O-CA 3.37Å; Q550-P552 WeakPolarHBondContact O-CD 3.03Å; P552-K555 VanDerWaalsContact O-CE 3.24Å; P552-K555 WeakPolarHBondContact O-CE 3.48Å
553D92.7Very high97Very high125 Ų12554.6 Ų54.667%0.66828%0.281SS*.THydrogen-bonded Turntrans-84-12-179.5-61.3-42.8000113.4Y551Y551-D553 VanDerWaalsContact C-N 3.27Å; Y551-D553 PolarHBondContact O-N 2.96Å
554H94.7Very high97.1Very high26 Ų2656 Ų5612%0.1229%0.288CS..SBendtrans-125.667.7-177.2-56.985.2000110F547 Y551 W556 W601 K612 D613 I614F547-H554 VanDerWaalsContact CE1-O 3.32Å; F547-H554 WeakPolarHBondContact CE1-O 3.28Å; Y551-H554 CarbonylContact O-C 3.5Å; Y551-H554 PolarHBondContact O-N 3.01Å; H554-W556 PolarHBondContact O-N 2.76Å; H554-W601 AromaticContact CD2-CZ3 3.92Å; H554-W601 AromaticContact CE1-CH2 3.94Å; H554-W601 AromaticContact CE1-CZ3 3.72Å; H554-W601 AromaticContact ND1-CH2 3.84Å; H554-W601 AromaticContact NE2-CZ3 3.64Å; H554-K612 PolarHBondContact NE2-O 3.24Å; H554-D613 IonicContact CD2-OD1 2.77Å; H554-I614 HydrophobicContact CB-CD1 3.74Å; H554-I614 HydrophobicContact CB-CG1 4.39Å
555K96.3Very high97.1Very high84 Ų8462.6 Ų62.637%0.36531%0.308SS..  trans-54.3138-178.7-63.8-61.2179.7-170.50112.5D548 P552 S557 T558 V559D548-K555 HydrophobicContact CB-CD 4.18Å; D548-K555 PolarHBondContact O-NZ 3.04Å; D548-K555 WeakPolarHBondContact OD1-CA 3.45Å; P552-K555 VanDerWaalsContact O-CE 3.24Å; P552-K555 WeakPolarHBondContact O-CE 3.48Å; K555-S557 PolarHBondContact O-N 3.16Å; K555-T558 WeakPolarHBondContact O-CB 3.43Å; K555-T558 PolarHBondContact O-N 3.26Å; K555-V559 PolarHBondContact O-N 3.4Å
556W98.1Very high97Very high2 Ų257.3 Ų57.31%0.00828%0.284CS..Hα-helixtrans-54.5-38.8-179.1-178.4-99.5000112.1I483 F503 F543 V544 F547 D548 H554 T558 V559 E560 I563 L599I483-W556 HydrophobicContact CD1-CH2 3.45Å; I483-W556 VanDerWaalsContact CD1-CH2 3.45Å; I483-W556 HydrophobicContact CD1-CZ2 4.45Å; I483-W556 HydrophobicContact CD1-CZ3 4.11Å; F503-W556 HydrophobicContact CD1-CZ2 4.5Å; F503-W556 AromaticContact CE1-CE2 3.86Å; F503-W556 AromaticContact CE1-CZ2 3.79Å; F503-W556 HydrophobicContact CE1-CZ2 3.79Å; F503-W556 AromaticContact CE1-NE1 3.52Å; F503-W556 AromaticContact CE2-CZ2 3.92Å; F503-W556 HydrophobicContact CE2-CZ2 3.92Å; F503-W556 AromaticContact CZ-CE2 3.57Å; F503-W556 HydrophobicContact CZ-CH2 4.43Å; F503-W556 AromaticContact CZ-CZ2 3.45Å; F503-W556 HydrophobicContact CZ-CZ2 3.45Å; F503-W556 VanDerWaalsContact CZ-CZ2 3.45Å; F503-W556 AromaticContact CZ-NE1 3.6Å; F543-W556 HydrophobicContact CE1-CD2 4.18Å; F543-W556 AromaticContact CE1-CE3 3.72Å; F543-W556 HydrophobicContact CE1-CE3 3.72Å; F543-W556 AromaticContact CE1-CH2 3.83Å; F543-W556 HydrophobicContact CE1-CH2 3.83Å; F543-W556 HydrophobicContact CE1-CZ2 4.2Å; F543-W556 AromaticContact CE1-CZ3 3.54Å; F543-W556 HydrophobicContact CE1-CZ3 3.54Å; F543-W556 HydrophobicContact CZ-CE3 4.45Å; F543-W556 HydrophobicContact CZ-CZ3 4.07Å; V544-W556 HydrophobicContact CB-CG 4.34Å; V544-W556 HydrophobicContact CG1-CB 3.91Å; V544-W556 HydrophobicContact CG1-CG 4.1Å; V544-W556 HydrophobicContact CG2-CB 4.35Å; V544-W556 HydrophobicContact CG2-CD2 4.24Å; V544-W556 HydrophobicContact CG2-CG 3.66Å; F547-W556 HydrophobicContact CD1-CB 4.08Å; F547-W556 AromaticContact CD1-CE3 3.8Å; F547-W556 HydrophobicContact CD1-CE3 3.8Å; F547-W556 HydrophobicContact CD2-CE3 4.24Å; F547-W556 HydrophobicContact CD2-CZ3 4.49Å; F547-W556 AromaticContact CE1-CE3 3.87Å; F547-W556 HydrophobicContact CE1-CE3 3.87Å; F547-W556 HydrophobicContact CE2-CE3 4.31Å; F547-W556 HydrophobicContact CE2-CZ3 4.35Å; F547-W556 AromaticContact CG-CE3 3.98Å; F547-W556 HydrophobicContact CG-CE3 3.98Å; F547-W556 HydrophobicContact CZ-CE3 4.12Å; F547-W556 HydrophobicContact CZ-CZ3 4.38Å; D548-W556 PolarHBondContact OD1-N 2.89Å; H554-W556 PolarHBondContact O-N 2.76Å; W556-T558 PolarHBondContact O-N 2.85Å; W556-V559 HydrophobicContact CE3-CB 4.3Å; W556-V559 HydrophobicContact CE3-CG1 4.31Å; W556-V559 HydrophobicContact CH2-CG1 4.44Å; W556-V559 HydrophobicContact CZ3-CB 4.47Å; W556-V559 HydrophobicContact CZ3-CG1 3.98Å; W556-V559 CarbonylContact O-C 3.59Å; W556-V559 WeakPolarHBondContact O-CA 3.43Å; W556-V559 WeakPolarHBondContact O-CB 3.4Å; W556-V559 PolarHBondContact O-N 2.93Å; W556-E560 PolarHBondContact NE1-OE1 2.93Å; W556-E560 WeakPolarHBondContact O-CB 3.29Å; W556-E560 PolarHBondContact O-N 2.75Å; W556-I563 HydrophobicContact CH2-CD1 4Å; W556-I563 HydrophobicContact CZ2-CD1 4.27Å; W556-L599 HydrophobicContact CH2-CD1 4.41Å; W556-L599 HydrophobicContact CZ3-CD1 3.89Å
557S97Very high97.1Very high71 Ų7154.6 Ų54.650%0.49727%0.27SS..Hα-helixtrans-55.6-37.2177.455.20000113K555 L561K555-S557 PolarHBondContact O-N 3.16Å; S557-L561 VanDerWaalsContact O-CG 3.24Å; S557-L561 WeakPolarHBondContact O-CG 3.23Å; S557-L561 PolarHBondContact O-N 2.81Å; S557-L561 VanDerWaalsContact O-N 3.14Å
558T96.1Very high97.1Very high76 Ų7655.2 Ų55.247%0.46627%0.273SS..Hα-helixtrans-73.2-39.6175.5-56.30000111.6K555 W556 K562K555-T558 WeakPolarHBondContact O-CB 3.43Å; K555-T558 PolarHBondContact O-N 3.26Å; W556-T558 PolarHBondContact O-N 2.85Å; T558-K562 PolarHBondContact O-N 2.88Å
559V97.4Very high97Very high3 Ų356.5 Ų56.52%0.01828%0.278CS..Hα-helixtrans-64.2-45.9176.6179.60000110.6F547 K555 W556 L561 K562 I563 L599 I614F547-V559 HydrophobicContact CE1-CG2 4.27Å; F547-V559 HydrophobicContact CZ-CG2 4.45Å; K555-V559 PolarHBondContact O-N 3.4Å; W556-V559 HydrophobicContact CE3-CB 4.3Å; W556-V559 HydrophobicContact CE3-CG1 4.31Å; W556-V559 HydrophobicContact CH2-CG1 4.44Å; W556-V559 HydrophobicContact CZ3-CB 4.47Å; W556-V559 HydrophobicContact CZ3-CG1 3.98Å; W556-V559 CarbonylContact O-C 3.59Å; W556-V559 WeakPolarHBondContact O-CA 3.43Å; W556-V559 WeakPolarHBondContact O-CB 3.4Å; W556-V559 PolarHBondContact O-N 2.93Å; V559-L561 VanDerWaalsContact C-N 3.35Å; V559-L561 PolarHBondContact O-N 3.2Å; V559-K562 WeakPolarHBondContact O-CB 3.36Å; V559-K562 PolarHBondContact O-N 2.77Å; V559-K562 VanDerWaalsContact O-N 3.07Å; V559-I563 HydrophobicContact CG1-CD1 4.23Å; V559-I563 WeakPolarHBondContact O-CG1 3.27Å; V559-I563 PolarHBondContact O-N 3.48Å; V559-L599 HydrophobicContact CG1-CD1 3.92Å; V559-L599 HydrophobicContact CG1-CD2 4.03Å; V559-I614 HydrophobicContact CG1-CG2 3.97Å; V559-I614 HydrophobicContact CG2-CB 4.26Å; V559-I614 HydrophobicContact CG2-CD1 4.03Å; V559-I614 HydrophobicContact CG2-CG2 4.24Å
560E97.9Very high96.9Very high47 Ų4749.5 Ų49.522%0.2225%0.248CC..Hα-helixtrans-64.4-37.3179.2-177.3163-113.200112.2Y485 W556 K562 I563 H564Y485-E560 PolarHBondContact OH-OE1 3.26Å; W556-E560 PolarHBondContact NE1-OE1 2.93Å; W556-E560 WeakPolarHBondContact O-CB 3.29Å; W556-E560 PolarHBondContact O-N 2.75Å; E560-K562 VanDerWaalsContact C-N 3.28Å; E560-K562 PolarHBondContact O-N 3.22Å; E560-I563 CarbonylContact O-C 3.56Å; E560-I563 WeakPolarHBondContact O-CB 3.36Å; E560-I563 PolarHBondContact O-N 2.87Å; E560-I563 VanDerWaalsContact O-N 3.14Å; E560-H564 PolarHBondContact O-CD2 3.31Å; E560-H564 PolarHBondContact O-N 3.22Å
561L97.1Very high96.9Very high100 Ų10046.9 Ų46.952%0.52424%0.236SC..Hα-helixtrans-60.1-38171.6-77.1170.8000112.4S557 V559 R565S557-L561 VanDerWaalsContact O-CG 3.24Å; S557-L561 WeakPolarHBondContact O-CG 3.23Å; S557-L561 PolarHBondContact O-N 2.81Å; S557-L561 VanDerWaalsContact O-N 3.14Å; V559-L561 VanDerWaalsContact C-N 3.35Å; V559-L561 PolarHBondContact O-N 3.2Å; L561-R565 WeakPolarHBondContact O-CG 3.33Å; L561-R565 PolarHBondContact O-N 2.91Å; L561-R565 VanDerWaalsContact O-N 3.13Å
562K97.1Very high96.9Very high44 Ų4450.2 Ų50.219%0.19125%0.253CS..Hα-helixtrans-67.5-40.8173.8-66172.2173.7-179.10111.4T558 V559 E560 R565 L566 D613 I614 P616T558-K562 PolarHBondContact O-N 2.88Å; V559-K562 WeakPolarHBondContact O-CB 3.36Å; V559-K562 PolarHBondContact O-N 2.77Å; V559-K562 VanDerWaalsContact O-N 3.07Å; E560-K562 VanDerWaalsContact C-N 3.28Å; E560-K562 PolarHBondContact O-N 3.22Å; K562-R565 PolarHBondContact O-N 3.09Å; K562-L566 WeakPolarHBondContact O-CB 3.26Å; K562-L566 PolarHBondContact O-N 2.81Å; K562-D613 IonicContact NZ-OD1 3.84Å; K562-D613 PolarHBondContact NZ-OD1 2.59Å; K562-D613 IonicContact NZ-OD2 3.49Å; K562-D613 PolarHBondContact NZ-OD2 3.45Å; K562-I614 WeakPolarHBondContact CD-O 3.15Å; K562-I614 PolarHBondContact NZ-O 3.36Å; K562-P616 HydrophobicContact CB-CG 4.25Å
563I98.5Very high96.9Very high0 Ų046.9 Ų46.90%023%0.231CC..Hα-helixtrans-59.3-51174.5-66.9168000109.9Y485 W556 V559 E560 R565 L566 L567 L597 L599 P616Y485-I563 HydrophobicContact CD2-CG2 3.89Å; Y485-I563 HydrophobicContact CE1-CG2 4.4Å; Y485-I563 HydrophobicContact CE2-CD1 3.96Å; Y485-I563 HydrophobicContact CE2-CG2 3.69Å; Y485-I563 HydrophobicContact CG-CG2 4.34Å; W556-I563 HydrophobicContact CH2-CD1 4Å; W556-I563 HydrophobicContact CZ2-CD1 4.27Å; V559-I563 HydrophobicContact CG1-CD1 4.23Å; V559-I563 WeakPolarHBondContact O-CG1 3.27Å; V559-I563 PolarHBondContact O-N 3.48Å; E560-I563 CarbonylContact O-C 3.56Å; E560-I563 WeakPolarHBondContact O-CB 3.36Å; E560-I563 PolarHBondContact O-N 2.87Å; E560-I563 VanDerWaalsContact O-N 3.14Å; I563-R565 VanDerWaalsContact C-N 3.3Å; I563-R565 PolarHBondContact O-N 2.9Å; I563-L566 CarbonylContact O-C 3.6Å; I563-L566 WeakPolarHBondContact O-CA 3.4Å; I563-L566 WeakPolarHBondContact O-CB 3.44Å; I563-L566 PolarHBondContact O-N 3.21Å; I563-L566 VanDerWaalsContact O-N 3.08Å; I563-L567 HydrophobicContact CG2-CD1 4.03Å; I563-L567 HydrophobicContact CG2-CG 4.14Å; I563-L567 VanDerWaalsContact O-CG 3.32Å; I563-L567 WeakPolarHBondContact O-CG 3.48Å; I563-L567 PolarHBondContact O-N 2.82Å; I563-L597 HydrophobicContact CB-CD2 4.48Å; I563-L597 HydrophobicContact CD1-CD1 4.16Å; I563-L597 HydrophobicContact CD1-CD2 4.34Å; I563-L597 HydrophobicContact CG1-CD1 4.44Å; I563-L597 HydrophobicContact CG1-CD2 4.12Å; I563-L597 HydrophobicContact CG2-CD2 3.62Å; I563-L599 HydrophobicContact CD1-CD2 4.32Å; I563-P616 HydrophobicContact CG1-CB 3.73Å; I563-P616 HydrophobicContact CG1-CG 4.05Å
564H98.3Very high97.1Very high30 Ų3040.9 Ų40.914%0.13920%0.199CC..Hα-helixtrans-57.6-41.8179.9-71.6-177.2000112.5Y485 E560 L567 V568 H657 L659Y485-H564 AromaticContact CE1-NE2 3.88Å; E560-H564 PolarHBondContact O-CD2 3.31Å; E560-H564 PolarHBondContact O-N 3.22Å; H564-L567 PolarHBondContact O-N 2.87Å; H564-V568 WeakPolarHBondContact O-CG2 3.12Å; H564-V568 PolarHBondContact O-N 2.99Å; H564-H657 AromaticContact CE1-CD2 3.7Å; H564-H657 AromaticContact CE1-NE2 3.9Å; H564-H657 AromaticContact ND1-CD2 3.88Å; H564-H657 AromaticContact ND1-NE2 3.76Å; H564-L659 HydrophobicContact CB-CD2 3.74Å
565R97.7Very high97.2Very high176 Ų17641.3 Ų41.366%0.66420%0.204SC*.Hα-helixtrans-61.3-46.5174.1-72.9173.5-177.4173.42112L561 K562 I563 L567 V568 E569L561-R565 WeakPolarHBondContact O-CG 3.33Å; L561-R565 PolarHBondContact O-N 2.91Å; L561-R565 VanDerWaalsContact O-N 3.13Å; K562-R565 PolarHBondContact O-N 3.09Å; I563-R565 VanDerWaalsContact C-N 3.3Å; I563-R565 PolarHBondContact O-N 2.9Å; R565-L567 VanDerWaalsContact C-N 3.3Å; R565-L567 PolarHBondContact O-N 3.02Å; R565-V568 PolarHBondContact O-N 2.87Å; R565-E569 WeakPolarHBondContact O-CB 3.42Å; R565-E569 PolarHBondContact O-N 3.4Å
566L97.5Very high97.1Very high8 Ų842.3 Ų42.34%0.04221%0.208CC..Hα-helixtrans-59.2-41.6175165.5163.5000111.5W386 K562 I563 V568 E569 I570 P616 V618W386-L566 HydrophobicContact CB-CD1 3.39Å; W386-L566 HydrophobicContact CB-CG 3.81Å; W386-L566 HydrophobicContact CG-CD1 4.42Å; W386-L566 HydrophobicContact CG-CG 4.38Å; K562-L566 WeakPolarHBondContact O-CB 3.26Å; K562-L566 PolarHBondContact O-N 2.81Å; I563-L566 CarbonylContact O-C 3.6Å; I563-L566 WeakPolarHBondContact O-CA 3.4Å; I563-L566 WeakPolarHBondContact O-CB 3.44Å; I563-L566 PolarHBondContact O-N 3.21Å; I563-L566 VanDerWaalsContact O-N 3.08Å; L566-V568 VanDerWaalsContact C-N 3.3Å; L566-V568 PolarHBondContact O-N 2.95Å; L566-E569 PolarHBondContact O-N 3.33Å; L566-I570 HydrophobicContact CD2-CD1 3.48Å; L566-I570 VanDerWaalsContact CD2-CD1 3.48Å; L566-I570 HydrophobicContact CD2-CG1 4.37Å; L566-I570 HydrophobicContact CG-CD1 4.16Å; L566-I570 VanDerWaalsContact O-CG1 3.31Å; L566-I570 WeakPolarHBondContact O-CG1 3.5Å; L566-I570 PolarHBondContact O-N 2.85Å; L566-P616 HydrophobicContact CB-CG 4.41Å; L566-P616 HydrophobicContact CD1-CB 3.79Å; L566-P616 HydrophobicContact CD1-CG 3.62Å; L566-P616 WeakPolarHBondContact CD1-O 3.26Å; L566-V618 HydrophobicContact CD1-CG2 4.14Å; L566-V618 HydrophobicContact CD2-CG2 3.85Å; L566-V618 HydrophobicContact CG-CG2 4.3Å
567L98.4Very high97Very high0 Ų043.2 Ų43.20%021%0.211CC..Hα-helixtrans-62.5-39177.5-64175000111Y485 V487 I563 H564 R565 F571 V595 L659Y485-L567 HydrophobicContact CD1-CD1 4.06Å; Y485-L567 HydrophobicContact CG-CD1 4.09Å; V487-L567 HydrophobicContact CG2-CD1 4.07Å; V487-L567 HydrophobicContact CG2-CD2 3.97Å; V487-L567 HydrophobicContact CG2-CG 4.43Å; I563-L567 HydrophobicContact CG2-CD1 4.03Å; I563-L567 HydrophobicContact CG2-CG 4.14Å; I563-L567 VanDerWaalsContact O-CG 3.32Å; I563-L567 WeakPolarHBondContact O-CG 3.48Å; I563-L567 PolarHBondContact O-N 2.82Å; H564-L567 PolarHBondContact O-N 2.87Å; R565-L567 VanDerWaalsContact C-N 3.3Å; R565-L567 PolarHBondContact O-N 3.02Å; L567-F571 WeakPolarHBondContact O-CD2 3.48Å; L567-V595 HydrophobicContact CD2-CB 3.7Å; L567-V595 HydrophobicContact CD2-CG1 3.74Å; L567-V595 HydrophobicContact CD2-CG2 3.74Å; L567-L659 HydrophobicContact CB-CD1 3.95Å; L567-L659 HydrophobicContact CD1-CD1 4.25Å
568V98.1Very high96.8Very high13 Ų1344.5 Ų44.58%0.07922%0.218CC..Hα-helixtrans-65.8-45.3173.4175.20000111L497 H564 R565 L566 I570 F571 Q572 L659L497-V568 HydrophobicContact CD1-CG2 4.4Å; H564-V568 WeakPolarHBondContact O-CG2 3.12Å; H564-V568 PolarHBondContact O-N 2.99Å; R565-V568 PolarHBondContact O-N 2.87Å; L566-V568 VanDerWaalsContact C-N 3.3Å; L566-V568 PolarHBondContact O-N 2.95Å; V568-I570 PolarHBondContact O-N 3.33Å; V568-F571 PolarHBondContact O-N 3.27Å; V568-Q572 HydrophobicContact CG1-CG 4.17Å; V568-Q572 WeakPolarHBondContact O-CG 3.31Å; V568-Q572 PolarHBondContact O-N 3.35Å; V568-L659 HydrophobicContact CG2-CB 3.76Å
569E96.2Very high96.5Very high67 Ų6742.9 Ų42.931%0.31321%0.21SC..Hα-helixtrans-60.7-42.3-177-168.6-179.1160.700112.6W386 R565 L566 F571 Q572 A573W386-E569 VanDerWaalsContact CD1-CD 3.41Å; W386-E569 VanDerWaalsContact CD1-OE1 3.26Å; W386-E569 PolarHBondContact NE1-OE1 3.47Å; R565-E569 WeakPolarHBondContact O-CB 3.42Å; R565-E569 PolarHBondContact O-N 3.4Å; L566-E569 PolarHBondContact O-N 3.33Å; E569-F571 VanDerWaalsContact C-N 3.28Å; E569-F571 PolarHBondContact O-N 3.11Å; E569-Q572 WeakPolarHBondContact O-CB 3.41Å; E569-Q572 PolarHBondContact O-N 3.45Å; E569-A573 WeakPolarHBondContact O-CB 3.47Å; E569-A573 PolarHBondContact O-N 3.25Å
570I97.2Very high96.3Very high0 Ų043.3 Ų43.30%021%0.213CC..Hα-helixtrans-58-41.2176.7-69.8166.1000111.6F348 W386 L566 V568 A573 A574 V595 V618F348-I570 HydrophobicContact CD2-CG2 3.81Å; W386-I570 HydrophobicContact CD2-CG1 4.29Å; W386-I570 HydrophobicContact CE3-CG1 4.06Å; W386-I570 HydrophobicContact CH2-CG1 4.46Å; W386-I570 HydrophobicContact CZ3-CG1 4.17Å; L566-I570 HydrophobicContact CD2-CD1 3.48Å; L566-I570 VanDerWaalsContact CD2-CD1 3.48Å; L566-I570 HydrophobicContact CD2-CG1 4.37Å; L566-I570 HydrophobicContact CG-CD1 4.16Å; L566-I570 VanDerWaalsContact O-CG1 3.31Å; L566-I570 WeakPolarHBondContact O-CG1 3.5Å; L566-I570 PolarHBondContact O-N 2.85Å; V568-I570 PolarHBondContact O-N 3.33Å; I570-A573 VanDerWaalsContact O-CB 3.32Å; I570-A573 WeakPolarHBondContact O-CB 3.47Å; I570-A573 PolarHBondContact O-N 3.43Å; I570-A574 WeakPolarHBondContact O-CB 3.28Å; I570-A574 PolarHBondContact O-N 3.43Å; I570-V595 HydrophobicContact CD1-CG1 4.27Å; I570-V618 HydrophobicContact CD1-CG2 3.45Å; I570-V618 VanDerWaalsContact CD1-CG2 3.45Å; I570-V618 HydrophobicContact CG1-CG2 4.4Å
571F97.6Very high96Very high0 Ų043.6 Ų43.60%021%0.212CC..Hα-helixtrans-80-30.3-179.1-78.6-101.9000112F348 V487 L489 L495 L497 L567 V568 E569 A573 A574 T575 Y593F348-F571 AromaticContact CE2-CD1 3.82Å; F348-F571 HydrophobicContact CE2-CD1 3.82Å; F348-F571 HydrophobicContact CE2-CD2 4.26Å; F348-F571 AromaticContact CE2-CE1 3.51Å; F348-F571 HydrophobicContact CE2-CE1 3.51Å; F348-F571 HydrophobicContact CE2-CE2 4.01Å; F348-F571 HydrophobicContact CE2-CG 4.22Å; F348-F571 AromaticContact CE2-CZ 3.63Å; F348-F571 HydrophobicContact CE2-CZ 3.63Å; F348-F571 HydrophobicContact CZ-CD1 4.32Å; F348-F571 AromaticContact CZ-CE1 3.78Å; F348-F571 HydrophobicContact CZ-CE1 3.78Å; F348-F571 HydrophobicContact CZ-CZ 4.13Å; V487-F571 HydrophobicContact CB-CE2 4.19Å; V487-F571 HydrophobicContact CB-CZ 4.14Å; V487-F571 HydrophobicContact CG1-CD2 4.47Å; V487-F571 HydrophobicContact CG1-CE2 3.63Å; V487-F571 HydrophobicContact CG1-CZ 3.66Å; L489-F571 HydrophobicContact CB-CD1 4.45Å; L489-F571 HydrophobicContact CB-CE1 3.97Å; L489-F571 HydrophobicContact CD1-CD1 4.22Å; L489-F571 HydrophobicContact CD2-CD1 4.11Å; L489-F571 HydrophobicContact CD2-CE1 4.1Å; L489-F571 HydrophobicContact CG-CD1 4.5Å; L489-F571 HydrophobicContact CG-CE1 4.44Å; L495-F571 HydrophobicContact CD1-CB 4.28Å; L495-F571 HydrophobicContact CD2-CB 4.33Å; L497-F571 HydrophobicContact CD1-CB 3.62Å; L497-F571 HydrophobicContact CD1-CD2 4.33Å; L497-F571 HydrophobicContact CD1-CG 3.97Å; L497-F571 HydrophobicContact CD2-CB 4.01Å; L497-F571 HydrophobicContact CD2-CD1 3.49Å; L497-F571 VanDerWaalsContact CD2-CD1 3.49Å; L497-F571 HydrophobicContact CD2-CD2 4.18Å; L497-F571 HydrophobicContact CD2-CE1 3.89Å; L497-F571 HydrophobicContact CD2-CG 3.63Å; L497-F571 HydrophobicContact CD2-CZ 4.38Å; L497-F571 HydrophobicContact CG-CB 4.41Å; L497-F571 HydrophobicContact CG-CG 4.46Å; L567-F571 WeakPolarHBondContact O-CD2 3.48Å; V568-F571 PolarHBondContact O-N 3.27Å; E569-F571 VanDerWaalsContact C-N 3.28Å; E569-F571 PolarHBondContact O-N 3.11Å; F571-A573 VanDerWaalsContact C-N 3.31Å; F571-A574 PolarHBondContact O-N 3.21Å; F571-T575 WeakPolarHBondContact O-CB 3.27Å; F571-T575 VanDerWaalsContact O-CG2 3.3Å; F571-T575 WeakPolarHBondContact O-CG2 3.37Å; F571-T575 PolarHBondContact O-N 3.04Å; F571-T575 VanDerWaalsContact O-N 3.08Å; F571-T575 PolarHBondContact O-OG1 3.07Å; F571-Y593 AromaticContact CE1-CD2 3.64Å; F571-Y593 HydrophobicContact CE1-CD2 3.64Å; F571-Y593 AromaticContact CE1-CE2 3.72Å; F571-Y593 HydrophobicContact CE1-CE2 3.72Å; F571-Y593 AromaticContact CZ-CD2 3.55Å; F571-Y593 HydrophobicContact CZ-CD2 3.55Å; F571-Y593 HydrophobicContact CZ-CE2 4.13Å; F571-Y593 HydrophobicContact CZ-CG 4.19Å
572Q96.2Very high95.9Very high109 Ų10938.8 Ų38.851%0.50919%0.187SC..Hα-helixtrans-62.1-41.9167.2-71.9175.1-19.300110.8L495 V568 E569 T575 K576L495-Q572 HydrophobicContact CD2-CG 3.63Å; V568-Q572 HydrophobicContact CG1-CG 4.17Å; V568-Q572 WeakPolarHBondContact O-CG 3.31Å; V568-Q572 PolarHBondContact O-N 3.35Å; E569-Q572 WeakPolarHBondContact O-CB 3.41Å; E569-Q572 PolarHBondContact O-N 3.45Å; Q572-T575 PolarHBondContact O-N 3.46Å; Q572-T575 PolarHBondContact O-OG1 3.08Å; Q572-K576 PolarHBondContact O-N 3.24Å
573A95.4Very high95.8Very high3 Ų336.8 Ų36.83%0.02518%0.178CC..Hα-helixtrans-59-55.5173.400000110.9L357 L361 W386 E569 I570 F571 T575 K576L357-A573 HydrophobicContact CD1-CB 4.22Å; L357-A573 HydrophobicContact CD2-CB 3.99Å; L357-A573 HydrophobicContact CG-CB 4.07Å; L361-A573 HydrophobicContact CD1-CB 3.24Å; L361-A573 HydrophobicContact CG-CB 4.25Å; W386-A573 HydrophobicContact CZ2-CB 4.46Å; E569-A573 WeakPolarHBondContact O-CB 3.47Å; E569-A573 PolarHBondContact O-N 3.25Å; I570-A573 VanDerWaalsContact O-CB 3.32Å; I570-A573 WeakPolarHBondContact O-CB 3.47Å; I570-A573 PolarHBondContact O-N 3.43Å; F571-A573 VanDerWaalsContact C-N 3.31Å; A573-T575 PolarHBondContact O-N 3.28Å; A573-T575 VanDerWaalsContact O-N 3.14Å; A573-K576 VanDerWaalsContact O-CB 3.27Å; A573-K576 WeakPolarHBondContact O-CB 3.38Å; A573-K576 PolarHBondContact O-N 2.85Å; A573-K576 VanDerWaalsContact O-N 3.11Å
574A96.9Very high95.6Very high0 Ų038.5 Ų38.50%019%0.187CC..Hα-helixtrans-59.6-29.9-175.900000112.4V347 F348 L357 I570 F571 G582 L583V347-A574 HydrophobicContact CG1-CB 3.98Å; F348-A574 HydrophobicContact CB-CB 4.35Å; F348-A574 HydrophobicContact CD2-CB 3.85Å; F348-A574 HydrophobicContact CE2-CB 4.3Å; F348-A574 HydrophobicContact CG-CB 4.04Å; L357-A574 HydrophobicContact CD2-CB 4.14Å; I570-A574 WeakPolarHBondContact O-CB 3.28Å; I570-A574 PolarHBondContact O-N 3.43Å; F571-A574 PolarHBondContact O-N 3.21Å; A574-G582 CarbonylContact O-C 3.47Å; A574-G582 VanDerWaalsContact O-CA 3.26Å; A574-G582 WeakPolarHBondContact O-CA 3.49Å; A574-L583 HydrophobicContact CB-CB 4.27Å; A574-L583 PolarHBondContact O-N 2.94Å
575T96.3Very high95.4Very high35 Ų3540 Ų4022%0.21519%0.194CC..THydrogen-bonded Turntrans-98.14-177.158.30000114.2V492 F571 Q572 A573 L583V492-T575 HydrophobicContact CB-CG2 4.35Å; V492-T575 HydrophobicContact CG1-CG2 3.54Å; V492-T575 HydrophobicContact CG2-CG2 4.03Å; F571-T575 WeakPolarHBondContact O-CB 3.27Å; F571-T575 VanDerWaalsContact O-CG2 3.3Å; F571-T575 WeakPolarHBondContact O-CG2 3.37Å; F571-T575 PolarHBondContact O-N 3.04Å; F571-T575 VanDerWaalsContact O-N 3.08Å; F571-T575 PolarHBondContact O-OG1 3.07Å; Q572-T575 PolarHBondContact O-N 3.46Å; Q572-T575 PolarHBondContact O-OG1 3.08Å; A573-T575 PolarHBondContact O-N 3.28Å; A573-T575 VanDerWaalsContact O-N 3.14Å; T575-L583 HydrophobicContact CG2-CB 4.26Å; T575-L583 HydrophobicContact CG2-CD2 3.96Å
576K94.9Very high95.2Very high105 Ų10532 Ų3246%0.45716%0.164SC..SBendtrans-72-38.3-175.5-171.7175.4-173.8177.10113.4L361 E364 Q572 A573L361-K576 HydrophobicContact CD2-CD 3.57Å; E364-K576 VanDerWaalsContact OE2-CE 3.3Å; E364-K576 WeakPolarHBondContact OE2-CE 3.5Å; E364-K576 IonicContact OE2-NZ 3.99Å; E364-K576 PolarHBondContact OE2-NZ 2.83Å; Q572-K576 PolarHBondContact O-N 3.24Å; A573-K576 VanDerWaalsContact O-CB 3.27Å; A573-K576 WeakPolarHBondContact O-CB 3.38Å; A573-K576 PolarHBondContact O-N 2.85Å; A573-K576 VanDerWaalsContact O-N 3.11Å
577Y94.4Very high94.9Very high21 Ų2133.6 Ų33.68%0.08217%0.174CC..SBendtrans-104.1155.1-173.4-54-66.9000111.9L357 E364 R581 G582L357-Y577 HydrophobicContact CD1-CD2 4.36Å; L357-Y577 HydrophobicContact CD1-CE2 4.16Å; E364-Y577 WeakPolarHBondContact OE1-CE1 3.48Å; E364-Y577 PolarHBondContact OE1-OH 3.21Å; E364-Y577 PolarHBondContact OE2-OH 2.89Å; E364-Y577 VanDerWaalsContact OE2-OH 3.14Å; Y577-R581 HydrophobicContact CD2-CB 4.46Å; Y577-R581 HydrophobicContact CG-CB 4.41Å; Y577-G582 WeakPolarHBondContact O-CA 3.3Å
578P92.9Very high94.6Very high97 Ų9733.8 Ų33.863%0.6318%0.175SC*.  trans-69.2170.1165.432.1-35.8000111.2R581 G582P578-R581 PolarHBondContact O-N 3.48Å; P578-G582 PolarHBondContact O-N 3.04Å
579S91.1Very high94.5Very high42 Ų4233.2 Ų33.229%0.29417%0.171SC..THydrogen-bonded Turntrans-59.8140.8170.5-177.40000108.5
580P92.2Very high94.4Very high13 Ų1330.8 Ų30.88%0.08416%0.159CC..THydrogen-bonded Turncis-90.2-0.99.937.7-38.6000114.9D262 F265 T266 Y346D262-P580 HydrophobicContact CB-CG 3.99Å; F265-P580 HydrophobicContact CB-CB 3.92Å; F265-P580 HydrophobicContact CB-CG 3.94Å; T266-P580 HydrophobicContact CG2-CB 3.87Å; T266-P580 HydrophobicContact CG2-CG 3.79Å; Y346-P580 WeakPolarHBondContact CE2-O 3.31Å; Y346-P580 PolarHBondContact OH-O 3.24Å
581R92.8Very high94.4Very high52 Ų5230.8 Ų30.820%0.19616%0.159CC..SBendtrans-94.311.7-171.6-56.1-168.3-56.5150.815.7114.5L260 D262 F265 V347 Y577 P578L260-R581 PolarHBondContact O-NH1 3.47Å; L260-R581 VanDerWaalsContact O-NH1 3.11Å; D262-R581 WeakPolarHBondContact OD1-CD 3.36Å; D262-R581 VanDerWaalsContact OD1-CG 3.26Å; D262-R581 WeakPolarHBondContact OD1-CG 3.36Å; D262-R581 IonicContact OD1-NE 2.68Å; D262-R581 PolarHBondContact OD1-NE 2.8Å; F265-R581 HydrophobicContact CD2-CG 3.65Å; F265-R581 HydrophobicContact CE2-CB 4.5Å; F265-R581 HydrophobicContact CE2-CG 3.92Å; F265-R581 HydrophobicContact CG-CG 4.03Å; V347-R581 VanDerWaalsContact CG2-O 3.28Å; V347-R581 WeakPolarHBondContact CG2-O 3.44Å; Y577-R581 HydrophobicContact CD2-CB 4.46Å; Y577-R581 HydrophobicContact CG-CB 4.41Å; P578-R581 PolarHBondContact O-N 3.48Å
582G94.4Very high94.4Very high0 Ų031.1 Ų31.10%016%0.161CC..SBendtrans-154.4156.6-174.800000113.8A574 Y577 P578 I584A574-G582 CarbonylContact O-C 3.47Å; A574-G582 VanDerWaalsContact O-CA 3.26Å; A574-G582 WeakPolarHBondContact O-CA 3.49Å; Y577-G582 WeakPolarHBondContact O-CA 3.3Å; P578-G582 PolarHBondContact O-N 3.04Å; G582-I584 VanDerWaalsContact O-CD1 3.27Å; G582-I584 WeakPolarHBondContact O-CD1 3.49Å
583L95.6Very high94.5Very high2 Ų225.9 Ų25.91%0.0114%0.137CC..PPolyproline II helixtrans-76.1121172.4-172.3159.8000108.8F342 E345 V347 F348 L489 V492 A574 T575F342-L583 HydrophobicContact CB-CD1 4.19Å; F342-L583 HydrophobicContact CB-CD2 3.67Å; F342-L583 HydrophobicContact CB-CG 3.81Å; F342-L583 HydrophobicContact CD1-CD2 3.78Å; F342-L583 HydrophobicContact CG-CD2 3.78Å; F342-L583 HydrophobicContact CG-CG 4.41Å; E345-L583 HydrophobicContact CB-CD1 4.07Å; E345-L583 HydrophobicContact CB-CG 4.48Å; V347-L583 HydrophobicContact CG1-CB 4.29Å; F348-L583 HydrophobicContact CE1-CD1 3.69Å; F348-L583 HydrophobicContact CE2-CD1 4.47Å; F348-L583 HydrophobicContact CZ-CD1 3.65Å; L489-L583 HydrophobicContact CD2-CD1 3.94Å; L489-L583 HydrophobicContact CD2-CD2 3.89Å; V492-L583 HydrophobicContact CG2-CD2 3.37Å; A574-L583 HydrophobicContact CB-CB 4.27Å; A574-L583 PolarHBondContact O-N 2.94Å; T575-L583 HydrophobicContact CG2-CB 4.26Å; T575-L583 HydrophobicContact CG2-CD2 3.96Å
584I94.1Very high94.6Very high35 Ų3525.8 Ų25.818%0.17914%0.136CC..PPolyproline II helixtrans-93.9139-168.3-49.6-55000111L274 F342 P343 G582 N586L274-I584 HydrophobicContact CD2-CG1 4.25Å; F342-I584 WeakPolarHBondContact CD1-O 3.46Å; P343-I584 HydrophobicContact CB-CB 4.17Å; P343-I584 HydrophobicContact CB-CG1 4.48Å; P343-I584 HydrophobicContact CG-CB 4.46Å; P343-I584 PolarHBondContact O-N 3Å; G582-I584 VanDerWaalsContact O-CD1 3.27Å; G582-I584 WeakPolarHBondContact O-CD1 3.49Å; I584-N586 PolarHBondContact O-N 2.83Å
585H93.3Very high94.7Very high62 Ų6225.8 Ų25.829%0.28714%0.136SC..PPolyproline II helixtrans-61.8122.4170.7176.366.8000111V492 K493V492-H585 HydrophobicContact CB-CB 3.98Å; V492-H585 HydrophobicContact CG1-CB 3.99Å; K493-H585 HydrophobicContact CD-CB 3.94Å; K493-H585 HydrophobicContact CG-CB 4.08Å; K493-H585 PolarHBondContact N-ND1 3.08Å
586N92.9Very high94.7Very high9 Ų924.2 Ų24.25%0.04813%0.126CC..  trans-137.7126.8170.4179.825.1000109.6P275 P343 I584 Q588 S589P275-N586 HydrophobicContact CG-CB 4.28Å; P343-N586 HydrophobicContact CG-CB 4.04Å; I584-N586 PolarHBondContact O-N 2.83Å; N586-Q588 VanDerWaalsContact C-N 3.26Å; N586-Q588 PolarHBondContact O-N 3.36Å; N586-Q588 PolarHBondContact OD1-N 2.88Å; N586-S589 WeakPolarHBondContact CB-OG 3.3Å; N586-S589 PolarHBondContact ND2-OG 3.21Å; N586-S589 PolarHBondContact O-N 3Å; N586-S589 VanDerWaalsContact O-N 3.11Å
587V91.3Very high94.8Very high41 Ų4119.2 Ų19.225%0.24810%0.104CC..THydrogen-bonded Turntrans-65.4-30.7-177.6-64.80000112.6N280 S589 R590N280-V587 HydrophobicContact CB-CG2 4.06Å; V587-S589 VanDerWaalsContact C-N 3.26Å; V587-S589 PolarHBondContact O-N 3.16Å; V587-R590 PolarHBondContact O-NH1 2.97Å; V587-R590 VanDerWaalsContact O-NH1 3.13Å
588Q93.2Very high95Very high4 Ų419 Ų192%0.01910%0.104CC..THydrogen-bonded Turntrans-76.5-8.6176.7-61.4-178.3-85.800112.9L330 S331 S334 T337 Y338 I339 N586L330-Q588 PolarHBondContact O-NE2 2.81Å; S331-Q588 VanDerWaalsContact CA-OE1 3.3Å; S334-Q588 PolarHBondContact O-NE2 3.3Å; T337-Q588 WeakPolarHBondContact O-CB 3.47Å; T337-Q588 WeakPolarHBondContact O-CG 3.32Å; T337-Q588 PolarHBondContact O-NE2 3.33Å; Y338-Q588 CarbonylContact C-O 3.28Å; Y338-Q588 WeakPolarHBondContact CA-O 3.34Å; Y338-Q588 WeakPolarHBondContact CD1-O 3.28Å; I339-Q588 PolarHBondContact N-O 3.16Å; N586-Q588 VanDerWaalsContact C-N 3.26Å; N586-Q588 PolarHBondContact O-N 3.36Å; N586-Q588 PolarHBondContact OD1-N 2.88Å
589S95Very high95.3Very high0 Ų014.5 Ų14.50%08%0.075CC..BIsolated β-bridgetrans-95.1136.6-173.6-69.90000112.7Q341 F342 N586 V587Q341-S589 WeakPolarHBondContact O-CB 3.35Å; Q341-S589 PolarHBondContact O-OG 3.22Å; F342-S589 WeakPolarHBondContact CZ-O 3.38Å; N586-S589 WeakPolarHBondContact CB-OG 3.3Å; N586-S589 PolarHBondContact ND2-OG 3.21Å; N586-S589 PolarHBondContact O-N 3Å; N586-S589 VanDerWaalsContact O-N 3.11Å; V587-S589 VanDerWaalsContact C-N 3.26Å; V587-S589 PolarHBondContact O-N 3.16Å
590R95.3Very high95.5Very high16 Ų1613.1 Ų13.16%0.066%0.064CC..  trans-135.4148.1165.3-64.8-61.8-178-84.5-3.7106.4Y338 I339 N340 Q341 R490 V587 L645 F646Y338-R590 HydrophobicContact CD1-CG 4.25Å; Y338-R590 VanDerWaalsContact CE1-NH2 3.32Å; Y338-R590 PolarHBondContact OH-NH2 3.45Å; I339-R590 PolarHBondContact O-N 3.02Å; N340-R590 CarbonylContact C-O 3.57Å; N340-R590 WeakPolarHBondContact CA-O 3.5Å; Q341-R590 PolarHBondContact N-O 3.48Å; Q341-R590 VanDerWaalsContact N-O 3.13Å; R490-R590 WeakPolarHBondContact O-CD 3.46Å; R490-R590 PolarHBondContact O-NE 2.83Å; R490-R590 PolarHBondContact O-NH1 3.43Å; V587-R590 PolarHBondContact O-NH1 2.97Å; V587-R590 VanDerWaalsContact O-NH1 3.13Å; R590-L645 HydrophobicContact CB-CB 4.22Å; R590-L645 HydrophobicContact CB-CD1 4.23Å; R590-L645 HydrophobicContact CB-CD2 4.15Å; R590-L645 HydrophobicContact CB-CG 4.43Å; R590-L645 WeakPolarHBondContact CD-O 3.47Å; R590-L645 HydrophobicContact CG-CB 4.27Å; R590-L645 PolarHBondContact NE-O 3.36Å; R590-F646 HydrophobicContact CB-CE1 3.81Å; R590-F646 HydrophobicContact CB-CZ 4.01Å; R590-F646 HydrophobicContact CG-CD1 4.03Å; R590-F646 HydrophobicContact CG-CE1 3.5Å; R590-F646 VanDerWaalsContact CG-CE1 3.5Å; R590-F646 HydrophobicContact CG-CZ 4.18Å
591A97.1Very high95.6Very high0 Ų014.4 Ų14.40%07%0.067CC..EExtended strand (participates in β ladder)trans-150158-179.500000113.2F342 L488 L489 Y593F342-A591 HydrophobicContact CD2-CB 3.67Å; F342-A591 HydrophobicContact CE2-CB 3.85Å; L488-A591 WeakPolarHBondContact CA-O 3.48Å; L489-A591 PolarHBondContact N-O 3.28Å; L489-A591 PolarHBondContact O-N 3.26Å; A591-Y593 HydrophobicContact CB-CD2 4.3Å; A591-Y593 HydrophobicContact CB-CE1 4.33Å; A591-Y593 HydrophobicContact CB-CE2 3.42Å; A591-Y593 VanDerWaalsContact CB-CE2 3.42Å; A591-Y593 VanDerWaalsContact CB-CZ 3.42Å; A591-Y593 WeakPolarHBondContact CB-OH 3.5Å
592L97.4Very high95.5Very high7 Ų714.1 Ų14.14%0.0377%0.066CC..EExtended strand (participates in β ladder)trans-127.9127.2175.4177.3140.3000108.9W319 V486 V487 L488 P625 F637 I641W319-L592 HydrophobicContact CH2-CB 3.94Å; W319-L592 HydrophobicContact CZ2-CB 4.25Å; V486-L592 HydrophobicContact CG1-CD1 3.62Å; V486-L592 HydrophobicContact CG1-CD2 4.3Å; V486-L592 HydrophobicContact CG1-CG 3.86Å; V487-L592 WeakPolarHBondContact O-CA 3.45Å; L488-L592 HydrophobicContact CG-CD1 4.46Å; L592-P625 HydrophobicContact CD2-CG 3.52Å; L592-F637 HydrophobicContact CD1-CZ 4.41Å; L592-I641 HydrophobicContact CD1-CB 4.41Å; L592-I641 HydrophobicContact CD1-CD1 3.24Å; L592-I641 HydrophobicContact CD1-CG1 3.66Å; L592-I641 HydrophobicContact CD1-CG2 3.83Å
593Y98.1Very high95.1Very high0 Ų018.3 Ų18.30%09%0.093CC..EExtended strand (participates in β ladder)trans-124.5153.2-178.5-55-78.6000110.1E345 F348 T349 V486 V487 L489 F571 A591 V621 N622 F623E345-Y593 HydrophobicContact CB-CE1 4.39Å; E345-Y593 PolarHBondContact OE2-OH 3.23Å; F348-Y593 HydrophobicContact CE1-CD1 4.33Å; F348-Y593 AromaticContact CE1-CE1 3.85Å; F348-Y593 HydrophobicContact CE1-CE1 3.85Å; F348-Y593 HydrophobicContact CZ-CD1 4.03Å; F348-Y593 HydrophobicContact CZ-CD2 4.19Å; F348-Y593 AromaticContact CZ-CE1 3.75Å; F348-Y593 HydrophobicContact CZ-CE1 3.75Å; F348-Y593 AromaticContact CZ-CE2 3.87Å; F348-Y593 HydrophobicContact CZ-CE2 3.87Å; F348-Y593 HydrophobicContact CZ-CG 4.25Å; F348-Y593 AromaticContact CZ-CZ 3.66Å; T349-Y593 HydrophobicContact CG2-CD1 3.92Å; T349-Y593 HydrophobicContact CG2-CE1 4Å; V486-Y593 CarbonylContact C-O 3.51Å; V486-Y593 WeakPolarHBondContact CA-O 3.42Å; V487-Y593 PolarHBondContact N-O 3.23Å; V487-Y593 PolarHBondContact O-N 2.86Å; L489-Y593 HydrophobicContact CB-CD2 4.45Å; L489-Y593 HydrophobicContact CB-CE2 3.87Å; L489-Y593 HydrophobicContact CD2-CE2 4.19Å; F571-Y593 AromaticContact CE1-CD2 3.64Å; F571-Y593 HydrophobicContact CE1-CD2 3.64Å; F571-Y593 AromaticContact CE1-CE2 3.72Å; F571-Y593 HydrophobicContact CE1-CE2 3.72Å; F571-Y593 AromaticContact CZ-CD2 3.55Å; F571-Y593 HydrophobicContact CZ-CD2 3.55Å; F571-Y593 HydrophobicContact CZ-CE2 4.13Å; F571-Y593 HydrophobicContact CZ-CG 4.19Å; A591-Y593 HydrophobicContact CB-CD2 4.3Å; A591-Y593 HydrophobicContact CB-CE1 4.33Å; A591-Y593 HydrophobicContact CB-CE2 3.42Å; A591-Y593 VanDerWaalsContact CB-CE2 3.42Å; A591-Y593 VanDerWaalsContact CB-CZ 3.42Å; A591-Y593 WeakPolarHBondContact CB-OH 3.5Å; Y593-V621 HydrophobicContact CD1-CG1 4.5Å; Y593-N622 CarbonylContact C-O 3.46Å; Y593-N622 VanDerWaalsContact CA-O 3.27Å; Y593-N622 WeakPolarHBondContact CA-O 3.33Å; Y593-F623 HydrophobicContact CD1-CB 4.22Å; Y593-F623 HydrophobicContact CE1-CB 4.2Å
594A97.3Very high94.4Very high0 Ų019.7 Ų19.70%010%0.1CC..EExtended strand (participates in β ladder)trans-109127.7163.600000109.5R484 Y485 V621 N622 P625R484-A594 HydrophobicContact CG-CB 3.86Å; Y485-A594 CarbonylContact O-C 3.56Å; Y485-A594 WeakPolarHBondContact O-CA 3.47Å; A594-V621 CarbonylContact O-C 3.59Å; A594-V621 WeakPolarHBondContact O-CA 3.29Å; A594-N622 HydrophobicContact CB-CB 4.47Å; A594-N622 PolarHBondContact N-O 2.96Å; A594-N622 PolarHBondContact O-N 3.17Å; A594-P625 HydrophobicContact CB-CB 3.36Å; A594-P625 HydrophobicContact CB-CG 3.69Å
595V98.3Very high93.1Very high0 Ų025.9 Ų25.90%013%0.129CC..EExtended strand (participates in β ladder)trans-105.2115.9172.9-176.20000108R484 Y485 V487 L567 I570 V618 V621R484-V595 WeakPolarHBondContact CA-O 3.34Å; Y485-V595 PolarHBondContact N-O 3.4Å; Y485-V595 PolarHBondContact O-N 2.84Å; V487-V595 HydrophobicContact CG2-CG2 3.92Å; L567-V595 HydrophobicContact CD2-CB 3.7Å; L567-V595 HydrophobicContact CD2-CG1 3.74Å; L567-V595 HydrophobicContact CD2-CG2 3.74Å; I570-V595 HydrophobicContact CD1-CG1 4.27Å; V595-V618 HydrophobicContact CG1-CG1 4.35Å; V595-V618 HydrophobicContact CG1-CG2 4.44Å; V595-V621 HydrophobicContact CG1-CG2 4.38Å; V595-V621 HydrophobicContact CG2-CG1 4.18Å; V595-V621 HydrophobicContact CG2-CG2 4.19Å
596D97.1Very high91.7Very high3 Ų332.8 Ų32.82%0.01615%0.154CC..EExtended strand (participates in β ladder)trans-97127177.3-67.8-6.5000108.7I483 R484 R506 C619 E620I483-D596 CarbonylContact O-C 3.45Å; I483-D596 WeakPolarHBondContact O-CA 3.34Å; R484-D596 WeakPolarHBondContact CB-OD1 3.42Å; R484-D596 WeakPolarHBondContact CG-OD1 3.41Å; R484-D596 IonicContact CZ-OD1 3.24Å; R484-D596 IonicContact CZ-OD2 2.87Å; R484-D596 IonicContact NE-OD1 2.94Å; R484-D596 PolarHBondContact NE-OD1 3.27Å; R484-D596 IonicContact NE-OD2 3.43Å; R484-D596 IonicContact NH2-OD1 2.64Å; R484-D596 PolarHBondContact NH2-OD1 2.8Å; R484-D596 IonicContact NH2-OD2 2.81Å; R484-D596 PolarHBondContact NH2-OD2 2.71Å; R506-D596 IonicContact CZ-OD2 3.67Å; R506-D596 IonicContact NH1-OD2 2.71Å; R506-D596 IonicContact NH2-OD1 2.82Å; R506-D596 IonicContact NH2-OD2 2.97Å; R506-D596 PolarHBondContact NH2-OD2 3.46Å; D596-C619 HydrophobicContact CB-CB 4.35Å; D596-C619 WeakPolarHBondContact O-CB 3.42Å; D596-C619 PolarHBondContact O-N 3.49Å; D596-E620 HydrophobicContact CB-CG 3.94Å; D596-E620 PolarHBondContact N-O 2.89Å; D596-E620 PolarHBondContact O-N 3.38Å
597L97.8Very high90.2Very high0 Ų034.2 Ų34.20%017%0.166CC..EExtended strand (participates in β ladder)trans-136.1154.9-177.665.687.2000112.3D482 I483 Y485 I563 L599 P616 V617D482-L597 WeakPolarHBondContact CA-O 3.45Å; I483-L597 HydrophobicContact CB-CD1 3.88Å; I483-L597 HydrophobicContact CB-CG 4.17Å; I483-L597 HydrophobicContact CD1-CD1 3.93Å; I483-L597 HydrophobicContact CG1-CD1 3.98Å; I483-L597 PolarHBondContact N-O 2.84Å; I483-L597 PolarHBondContact O-N 3.01Å; Y485-L597 HydrophobicContact CD2-CD2 4.16Å; I563-L597 HydrophobicContact CB-CD2 4.48Å; I563-L597 HydrophobicContact CD1-CD1 4.16Å; I563-L597 HydrophobicContact CD1-CD2 4.34Å; I563-L597 HydrophobicContact CG1-CD1 4.44Å; I563-L597 HydrophobicContact CG1-CD2 4.12Å; I563-L597 HydrophobicContact CG2-CD2 3.62Å; L597-L599 HydrophobicContact CD1-CD2 3.87Å; L597-L599 HydrophobicContact CD1-CG 4.42Å; L597-P616 HydrophobicContact CD1-CB 4.33Å; L597-V617 CarbonylContact C-O 3.55Å; L597-V617 VanDerWaalsContact CA-O 3.22Å; L597-V617 WeakPolarHBondContact CA-O 3.02Å; L597-V617 WeakPolarHBondContact CB-O 3.33Å
598L98Very high88.9Confident16 Ų1638.5 Ų38.58%0.08420%0.198CC..EExtended strand (participates in β ladder)trans-110.3164166-67170.1000108.8I464 K480 F481 D482 P616 V617 C619I464-L598 HydrophobicContact CD1-CB 4.01Å; I464-L598 HydrophobicContact CG2-CD1 3.78Å; K480-L598 VanDerWaalsContact CE-CD1 3.47Å; K480-L598 HydrophobicContact CG-CD2 4.32Å; F481-L598 WeakPolarHBondContact O-CD2 3.08Å; D482-L598 HydrophobicContact CB-CD2 3.7Å; L598-P616 WeakPolarHBondContact O-CA 3.46Å; L598-V617 PolarHBondContact N-O 3.48Å; L598-V617 PolarHBondContact O-N 2.94Å; L598-C619 VanDerWaalsContact CG-SG 3.57Å
599L98.3Very high87.9Confident2 Ų243.1 Ų43.11%0.0123%0.231CC..EExtended strand (participates in β ladder)trans-110.2130.7172.6-62.4-177.2000108.5P467 V468 F481 I483 F547 W556 V559 I563 L597 I614 P616P467-L599 CarbonylContact C-O 3.59Å; P467-L599 VanDerWaalsContact CA-O 3.31Å; P467-L599 WeakPolarHBondContact CA-O 3.31Å; V468-L599 HydrophobicContact CB-CB 3.76Å; V468-L599 HydrophobicContact CG2-CB 3.6Å; V468-L599 PolarHBondContact N-O 2.93Å; F481-L599 HydrophobicContact CE2-CD1 4.37Å; F481-L599 HydrophobicContact CZ-CD1 4.09Å; I483-L599 HydrophobicContact CD1-CD1 3.96Å; I483-L599 HydrophobicContact CD1-CG 4.08Å; F547-L599 HydrophobicContact CE2-CD1 4.49Å; W556-L599 HydrophobicContact CH2-CD1 4.41Å; W556-L599 HydrophobicContact CZ3-CD1 3.89Å; V559-L599 HydrophobicContact CG1-CD1 3.92Å; V559-L599 HydrophobicContact CG1-CD2 4.03Å; I563-L599 HydrophobicContact CD1-CD2 4.32Å; L597-L599 HydrophobicContact CD1-CD2 3.87Å; L597-L599 HydrophobicContact CD1-CG 4.42Å; L599-I614 HydrophobicContact CB-CG2 3.9Å; L599-I614 HydrophobicContact CD1-CG2 4.07Å; L599-I614 HydrophobicContact CD2-CG2 4.06Å; L599-I614 HydrophobicContact CG-CG2 4.23Å; L599-P616 HydrophobicContact CD2-CB 3.94Å
600E95.9Very high86.8Confident13 Ų1346 Ų466%0.06125%0.246CC..EExtended strand (participates in β ladder)trans-115.6137.7-179.5-170.8175.1-148.100110R462 I464 R602 Y615 V617R462-E600 IonicContact NH1-OE1 3.06Å; I464-E600 HydrophobicContact CD1-CB 3.54Å; I464-E600 HydrophobicContact CD1-CG 3.92Å; I464-E600 HydrophobicContact CG1-CB 4.02Å; I464-E600 HydrophobicContact CG1-CG 3.79Å; E600-R602 HydrophobicContact CG-CG 4.15Å; E600-R602 IonicContact OE2-CZ 2.57Å; E600-R602 IonicContact OE2-NE 3.93Å; E600-R602 PolarHBondContact OE2-NE 2.77Å; E600-R602 IonicContact OE2-NH2 3.72Å; E600-R602 PolarHBondContact OE2-NH2 2.92Å; E600-Y615 PolarHBondContact N-O 2.79Å; E600-Y615 PolarHBondContact O-N 2.65Å; E600-V617 HydrophobicContact CB-CG2 3.87Å
601W94.9Very high86.1Confident41 Ų4153.8 Ų53.816%0.15528%0.28CS..EExtended strand (participates in β ladder)trans-78123.7165.6-69115.5000109.7D466 V468 Y551 H554 K612 I614D466-W601 HydrophobicContact CB-CB 4.33Å; D466-W601 PolarHBondContact O-N 2.91Å; D466-W601 WeakPolarHBondContact OD2-CB 3.33Å; V468-W601 HydrophobicContact CG1-CZ2 4.12Å; V468-W601 HydrophobicContact CG2-CD2 4.02Å; V468-W601 HydrophobicContact CG2-CG 4.25Å; V468-W601 HydrophobicContact CG2-CZ2 4.09Å; Y551-W601 HydrophobicContact CD1-CH2 4.22Å; Y551-W601 AromaticContact CD1-CZ2 3.96Å; Y551-W601 HydrophobicContact CD1-CZ2 3.96Å; Y551-W601 HydrophobicContact CE1-CH2 4.43Å; Y551-W601 AromaticContact CE1-CZ2 3.72Å; Y551-W601 HydrophobicContact CE1-CZ2 3.72Å; H554-W601 AromaticContact CD2-CZ3 3.92Å; H554-W601 AromaticContact CE1-CH2 3.94Å; H554-W601 AromaticContact CE1-CZ3 3.72Å; H554-W601 AromaticContact ND1-CH2 3.84Å; H554-W601 AromaticContact NE2-CZ3 3.64Å; W601-K612 HydrophobicContact CB-CD 4Å; W601-K612 HydrophobicContact CE3-CB 4.07Å; W601-I614 HydrophobicContact CD2-CG1 4.37Å; W601-I614 HydrophobicContact CE3-CG1 3.71Å; W601-I614 HydrophobicContact CH2-CD1 3.61Å; W601-I614 HydrophobicContact CH2-CG1 3.53Å; W601-I614 HydrophobicContact CZ2-CD1 4.17Å; W601-I614 HydrophobicContact CZ2-CG1 4.2Å; W601-I614 HydrophobicContact CZ3-CD1 3.89Å; W601-I614 HydrophobicContact CZ3-CG1 3.25Å
602R90.7Very high85.8Confident46 Ų4657.8 Ų57.817%0.17430%0.298CS..EExtended strand (participates in β ladder)trans-124.9151.9173.8-60-173179168.71111.3N385 E600 N604 K612 D613 Y615N385-R602 VanDerWaalsContact O-CZ 3.31Å; N385-R602 PolarHBondContact O-NH1 2.94Å; N385-R602 PolarHBondContact O-NH2 3.48Å; E600-R602 HydrophobicContact CG-CG 4.15Å; E600-R602 IonicContact OE2-CZ 2.57Å; E600-R602 IonicContact OE2-NE 3.93Å; E600-R602 PolarHBondContact OE2-NE 2.77Å; E600-R602 IonicContact OE2-NH2 3.72Å; E600-R602 PolarHBondContact OE2-NH2 2.92Å; R602-N604 PolarHBondContact O-N 2.86Å; R602-K612 CarbonylContact O-C 3.54Å; R602-K612 WeakPolarHBondContact O-CA 3.42Å; R602-K612 WeakPolarHBondContact O-CB 3.35Å; R602-D613 PolarHBondContact N-O 2.73Å; R602-D613 PolarHBondContact O-N 3.15Å; R602-Y615 HydrophobicContact CB-CD2 3.63Å; R602-Y615 HydrophobicContact CB-CE2 3.91Å; R602-Y615 HydrophobicContact CB-CG 4.46Å; R602-Y615 HydrophobicContact CG-CD2 3.87Å; R602-Y615 HydrophobicContact CG-CG 4.26Å
603P86Confident85.6Confident87 Ų8759 Ų5957%0.56530%0.304SS*.EExtended strand (participates in β ladder)trans-53136.3172.8-24.534.4000111.5
604N79.5Confident85.5Confident31 Ų3159 Ų5917%0.16630%0.304CS..  trans-96.6100.9174.4-170.7-11.4000109R602 Y606 A607 I610 K611 D613R602-N604 PolarHBondContact O-N 2.86Å; N604-Y606 PolarHBondContact O-N 2.86Å; N604-Y606 PolarHBondContact OD1-N 3.3Å; N604-A607 WeakPolarHBondContact ND2-CB 3.49Å; N604-A607 PolarHBondContact OD1-N 2.95Å; N604-I610 VanDerWaalsContact CB-O 3.3Å; N604-I610 WeakPolarHBondContact CB-O 3.47Å; N604-K611 PolarHBondContact N-O 3.26Å; N604-D613 HydrophobicContact CB-CB 4.21Å
605E67.1Low85.4Confident165 Ų16562 Ų6277%0.77132%0.316SS*.SBendtrans-68.8-20-177.3-63.4-179.3172.500113.2
606Y64Low85.4Confident208 Ų20862.5 Ų62.582%0.81632%0.319SS*.SBendtrans-103.9-15.5-168.9-58.3-79.5000114.4N604N604-Y606 PolarHBondContact O-N 2.86Å; N604-Y606 PolarHBondContact OD1-N 3.3Å
607A62.9Low85.4Confident38 Ų3863 Ų6331%0.31432%0.322SS..  trans-114.7129-173.700000112.7N604N604-A607 WeakPolarHBondContact ND2-CB 3.49Å; N604-A607 PolarHBondContact OD1-N 2.95Å
608S62.8Low85.4Confident131 Ų13163 Ų6392%0.91632%0.322SS*.SBendtrans-77.3-29.5-178.755.60000114.2
609S72.3Confident85.3Confident102 Ų10263.8 Ų63.871%0.71333%0.329SS*.SBendtrans-91.4-38.2-176.555.10000113.7
610I71.6Confident85.1Confident59 Ų5966.1 Ų66.130%0.30334%0.34SS..  trans-104.5102.7-176.5-60.1177.1000108.3N604 K612N604-I610 VanDerWaalsContact CB-O 3.3Å; N604-I610 WeakPolarHBondContact CB-O 3.47Å; I610-K612 VanDerWaalsContact C-N 3.33Å; I610-K612 WeakPolarHBondContact CG2-O 3.41Å; I610-K612 PolarHBondContact O-N 2.84Å
611K81.6Confident85.1Confident181 Ų18165.6 Ų65.679%0.78734%0.337SS*.  trans-69-26.8-174.7-65.5-174.9178.2-176.90114.5N604N604-K611 PolarHBondContact N-O 3.26Å
612K89.5Confident85Confident83 Ų8365.8 Ų65.836%0.36134%0.341SS..EExtended strand (participates in β ladder)trans-133.6144.4-178.7-64.8-170.1-178.6-179.10111.3D466 H554 W601 R602 I610D466-K612 IonicContact OD2-NZ 2.85Å; D466-K612 PolarHBondContact OD2-NZ 2.78Å; H554-K612 PolarHBondContact NE2-O 3.24Å; W601-K612 HydrophobicContact CB-CD 4Å; W601-K612 HydrophobicContact CE3-CB 4.07Å; R602-K612 CarbonylContact O-C 3.54Å; R602-K612 WeakPolarHBondContact O-CA 3.42Å; R602-K612 WeakPolarHBondContact O-CB 3.35Å; I610-K612 VanDerWaalsContact C-N 3.33Å; I610-K612 WeakPolarHBondContact CG2-O 3.41Å; I610-K612 PolarHBondContact O-N 2.84Å
613D93.1Very high85.1Confident33 Ų3365.6 Ų65.618%0.17634%0.342CS..EExtended strand (participates in β ladder)trans-125.1158177.2-166.88.4000110.1H554 K562 R602 N604 Y615H554-D613 IonicContact CD2-OD1 2.77Å; K562-D613 IonicContact NZ-OD1 3.84Å; K562-D613 PolarHBondContact NZ-OD1 2.59Å; K562-D613 IonicContact NZ-OD2 3.49Å; K562-D613 PolarHBondContact NZ-OD2 3.45Å; R602-D613 PolarHBondContact N-O 2.73Å; R602-D613 PolarHBondContact O-N 3.15Å; N604-D613 HydrophobicContact CB-CB 4.21Å; D613-Y615 HydrophobicContact CB-CE2 3.97Å; D613-Y615 WeakPolarHBondContact O-CD2 3.4Å
614I95.9Very high85.1Confident0 Ų062 Ų620%032%0.319CS..EExtended strand (participates in β ladder)trans-88127.8-176.9-60.5-178.4000109.2V468 F547 H554 V559 K562 L599 W601V468-I614 HydrophobicContact CG1-CD1 4.36Å; V468-I614 HydrophobicContact CG2-CB 4.43Å; V468-I614 HydrophobicContact CG2-CD1 4.03Å; V468-I614 HydrophobicContact CG2-CG1 3.9Å; V468-I614 HydrophobicContact CG2-CG2 3.9Å; F547-I614 HydrophobicContact CE1-CD1 4.44Å; F547-I614 HydrophobicContact CZ-CD1 3.77Å; H554-I614 HydrophobicContact CB-CD1 3.74Å; H554-I614 HydrophobicContact CB-CG1 4.39Å; V559-I614 HydrophobicContact CG1-CG2 3.97Å; V559-I614 HydrophobicContact CG2-CB 4.26Å; V559-I614 HydrophobicContact CG2-CD1 4.03Å; V559-I614 HydrophobicContact CG2-CG2 4.24Å; K562-I614 WeakPolarHBondContact CD-O 3.15Å; K562-I614 PolarHBondContact NZ-O 3.36Å; L599-I614 HydrophobicContact CB-CG2 3.9Å; L599-I614 HydrophobicContact CD1-CG2 4.07Å; L599-I614 HydrophobicContact CD2-CG2 4.06Å; L599-I614 HydrophobicContact CG-CG2 4.23Å; W601-I614 HydrophobicContact CD2-CG1 4.37Å; W601-I614 HydrophobicContact CE3-CG1 3.71Å; W601-I614 HydrophobicContact CH2-CD1 3.61Å; W601-I614 HydrophobicContact CH2-CG1 3.53Å; W601-I614 HydrophobicContact CZ2-CD1 4.17Å; W601-I614 HydrophobicContact CZ2-CG1 4.2Å; W601-I614 HydrophobicContact CZ3-CD1 3.89Å; W601-I614 HydrophobicContact CZ3-CG1 3.25Å
615Y95.6Very high85.7Confident64 Ų6461.2 Ų61.225%0.25132%0.316SS..EExtended strand (participates in β ladder)trans-122.3128.4176.5-75.4-95.6000110.9E600 R602 D613E600-Y615 PolarHBondContact N-O 2.79Å; E600-Y615 PolarHBondContact O-N 2.65Å; R602-Y615 HydrophobicContact CB-CD2 3.63Å; R602-Y615 HydrophobicContact CB-CE2 3.91Å; R602-Y615 HydrophobicContact CB-CG 4.46Å; R602-Y615 HydrophobicContact CG-CD2 3.87Å; R602-Y615 HydrophobicContact CG-CG 4.26Å; D613-Y615 HydrophobicContact CB-CE2 3.97Å; D613-Y615 WeakPolarHBondContact O-CD2 3.4Å
616P98Very high86.6Confident10 Ų1056.4 Ų56.47%0.06530%0.295CS..EExtended strand (participates in β ladder)trans-75.5136.6172.831.4-33.7000111.3K562 I563 L566 L597 L598 L599K562-P616 HydrophobicContact CB-CG 4.25Å; I563-P616 HydrophobicContact CG1-CB 3.73Å; I563-P616 HydrophobicContact CG1-CG 4.05Å; L566-P616 HydrophobicContact CB-CG 4.41Å; L566-P616 HydrophobicContact CD1-CB 3.79Å; L566-P616 HydrophobicContact CD1-CG 3.62Å; L566-P616 WeakPolarHBondContact CD1-O 3.26Å; L597-P616 HydrophobicContact CD1-CB 4.33Å; L598-P616 WeakPolarHBondContact O-CA 3.46Å; L599-P616 HydrophobicContact CD2-CB 3.94Å
617V98Very high87.8Confident13 Ų1346.9 Ų46.98%0.07926%0.259CS..EExtended strand (participates in β ladder)trans-128121.1-178.6-176.20000109L597 L598 E600L597-V617 CarbonylContact C-O 3.55Å; L597-V617 VanDerWaalsContact CA-O 3.22Å; L597-V617 WeakPolarHBondContact CA-O 3.02Å; L597-V617 WeakPolarHBondContact CB-O 3.33Å; L598-V617 PolarHBondContact N-O 3.48Å; L598-V617 PolarHBondContact O-N 2.94Å; E600-V617 HydrophobicContact CB-CG2 3.87Å
618V98.2Very high89Confident1 Ų151.1 Ų51.11%0.00627%0.272CS..EExtended strand (participates in β ladder)trans-71.2133.2-179.2179.70000110.1L354 W386 Y387 L566 I570 V595 V621L354-V618 HydrophobicContact CD2-CG1 4.03Å; W386-V618 HydrophobicContact CE3-CG2 4.07Å; W386-V618 PolarHBondContact O-N 3.1Å; Y387-V618 HydrophobicContact CD2-CB 4.03Å; Y387-V618 HydrophobicContact CD2-CG1 4.33Å; Y387-V618 HydrophobicContact CE2-CB 4.44Å; Y387-V618 HydrophobicContact CE2-CG1 4.33Å; L566-V618 HydrophobicContact CD1-CG2 4.14Å; L566-V618 HydrophobicContact CD2-CG2 3.85Å; L566-V618 HydrophobicContact CG-CG2 4.3Å; I570-V618 HydrophobicContact CD1-CG2 3.45Å; I570-V618 VanDerWaalsContact CD1-CG2 3.45Å; I570-V618 HydrophobicContact CG1-CG2 4.4Å; V595-V618 HydrophobicContact CG1-CG1 4.35Å; V595-V618 HydrophobicContact CG1-CG2 4.44Å; V618-V621 HydrophobicContact CG1-CG2 4.34Å
619C95.3Very high90.2Very high32 Ų3247.1 Ų47.122%0.21624%0.237CC..EExtended strand (participates in β ladder)trans-91.9-49.8170.8-67.60000111.6K430 D596 L598K430-C619 PolarHBondContact NZ-O 2.94Å; D596-C619 HydrophobicContact CB-CB 4.35Å; D596-C619 WeakPolarHBondContact O-CB 3.42Å; D596-C619 PolarHBondContact O-N 3.49Å; L598-C619 VanDerWaalsContact CG-SG 3.57Å
620E94.3Very high91.1Very high51 Ų5142.5 Ų42.524%0.23821%0.205CC..EExtended strand (participates in β ladder)trans-162.9159.2-17957.5-178.9-151.900111D596 N622D596-E620 HydrophobicContact CB-CG 3.94Å; D596-E620 PolarHBondContact N-O 2.89Å; D596-E620 PolarHBondContact O-N 3.38Å; E620-N622 PolarHBondContact OE1-ND2 2.91Å
621V96.3Very high92.1Very high2 Ų239.7 Ų39.71%0.01219%0.19CC..EExtended strand (participates in β ladder)trans-118.6130.6166.9-175.20000107.4F348 T349 L354 Y593 A594 V595 V618F348-V621 HydrophobicContact CD2-CG1 4.42Å; F348-V621 HydrophobicContact CE2-CG1 4.44Å; F348-V621 WeakPolarHBondContact O-CB 3.25Å; T349-V621 VanDerWaalsContact CA-O 3.26Å; T349-V621 WeakPolarHBondContact CA-O 3.49Å; T349-V621 HydrophobicContact CG2-CG1 4.26Å; L354-V621 HydrophobicContact CD2-CG2 4.17Å; Y593-V621 HydrophobicContact CD1-CG1 4.5Å; A594-V621 CarbonylContact O-C 3.59Å; A594-V621 WeakPolarHBondContact O-CA 3.29Å; V595-V621 HydrophobicContact CG1-CG2 4.38Å; V595-V621 HydrophobicContact CG2-CG1 4.18Å; V595-V621 HydrophobicContact CG2-CG2 4.19Å; V618-V621 HydrophobicContact CG1-CG2 4.34Å
622N93.4Very high92.4Very high44 Ų4436.1 Ų36.124%0.23518%0.179CC..EExtended strand (participates in β ladder)trans-116.1127-178.4-67.8-66000110.3Y593 A594 E620 P625Y593-N622 CarbonylContact C-O 3.46Å; Y593-N622 VanDerWaalsContact CA-O 3.27Å; Y593-N622 WeakPolarHBondContact CA-O 3.33Å; A594-N622 HydrophobicContact CB-CB 4.47Å; A594-N622 PolarHBondContact N-O 2.96Å; A594-N622 PolarHBondContact O-N 3.17Å; E620-N622 PolarHBondContact OE1-ND2 2.91Å; N622-P625 HydrophobicContact CB-CB 4.46Å
623F92Very high92.4Very high42 Ų4237.6 Ų37.618%0.18418%0.184CC..EExtended strand (participates in β ladder)trans-75.3149161.3138.9-96.6000109.8Y321 Q341 E345 T349 Y593 P625Y321-F623 WeakPolarHBondContact O-CE1 3.4Å; Y321-F623 WeakPolarHBondContact O-CZ 3.43Å; Q341-F623 HydrophobicContact CG-CD2 3.91Å; Q341-F623 HydrophobicContact CG-CE2 3.34Å; Q341-F623 HydrophobicContact CG-CZ 4.08Å; E345-F623 WeakPolarHBondContact OE1-CD2 3.47Å; E345-F623 WeakPolarHBondContact OE1-CG 3.49Å; T349-F623 HydrophobicContact CG2-CB 3.91Å; Y593-F623 HydrophobicContact CD1-CB 4.22Å; Y593-F623 HydrophobicContact CE1-CB 4.2Å; F623-P625 VanDerWaalsContact C-N 3.34Å
624S86.8Confident92.3Very high13 Ų1337.7 Ų37.79%0.09118%0.183CC..SBendtrans43.355.2-178.5-71.50000113.2M320M320-S624 PolarHBondContact O-OG 2.97Å
625P90.9Very high92.2Very high14 Ų1441.3 Ų41.39%0.09121%0.206CC..  trans-63.3155.4-176.831.4-37.7000111.5L592 A594 N622 F623 C627L592-P625 HydrophobicContact CD2-CG 3.52Å; A594-P625 HydrophobicContact CB-CB 3.36Å; A594-P625 HydrophobicContact CB-CG 3.69Å; N622-P625 HydrophobicContact CB-CB 4.46Å; F623-P625 VanDerWaalsContact C-N 3.34Å; P625-C627 PolarHBondContact O-N 3.11Å; P625-C627 VanDerWaalsContact O-N 3.16Å; P625-C627 PolarHBondContact O-SG 3.15Å
626D86.1Confident92.1Very high64 Ų6442.8 Ų42.834%0.34222%0.218SC..  trans-60.5117.6169.2-175.7-3000110.5Y529 E628Y529-D626 PolarHBondContact OH-OD2 3.21Å; D626-E628 WeakPolarHBondContact OD1-CB 3.49Å; D626-E628 PolarHBondContact OD1-N 2.83Å
627C90.4Very high92Very high8 Ų842.3 Ų42.35%0.05422%0.215CC..  trans-111.213.6-176.8-650000112.6P625 R629 A630 C631 F637 F638P625-C627 PolarHBondContact O-N 3.11Å; P625-C627 VanDerWaalsContact O-N 3.16Å; P625-C627 PolarHBondContact O-SG 3.15Å; C627-R629 PolarHBondContact O-N 3.19Å; C627-A630 HydrophobicContact CB-CB 4.32Å; C627-A630 WeakPolarHBondContact O-CB 3.27Å; C627-A630 PolarHBondContact O-N 3.13Å; C627-A630 VanDerWaalsContact O-N 3.09Å; C627-C631 PolarHBondContact O-N 2.89Å; C627-C631 PolarHBondContact O-SG 3.37Å; C627-F637 HydrophobicContact CB-CD1 4.4Å; C627-F637 HydrophobicContact CB-CE1 3.73Å; C627-F637 HydrophobicContact CB-CZ 4.47Å; C627-F637 VanDerWaalsContact SG-CE1 3.59Å; C627-F638 HydrophobicContact CB-CE2 4.38Å; C627-F638 HydrophobicContact CB-CZ 4.12Å
628E87.7Confident91.9Very high127 Ų12741.9 Ų41.959%0.59321%0.213SC*.Hα-helixtrans-59.6-49.6-174.5-177176.4-166.300111.3Q296 D626 A630 C631 L632Q296-E628 VanDerWaalsContact OE1-N 3.11Å; D626-E628 WeakPolarHBondContact OD1-CB 3.49Å; D626-E628 PolarHBondContact OD1-N 2.83Å; E628-A630 VanDerWaalsContact C-N 3.33Å; E628-A630 PolarHBondContact O-N 2.95Å; E628-C631 PolarHBondContact O-N 3.04Å; E628-L632 WeakPolarHBondContact O-CB 3.36Å; E628-L632 PolarHBondContact O-N 3.37Å
629R87Confident91.8Very high46 Ų4642.4 Ų42.417%0.17422%0.215CC..Hα-helixtrans-62.2-40.6174.7-69.7-167.7-64.6159.10.8111.9L505 C627 C631 L632 Y633L505-R629 PolarHBondContact O-NH1 3.37Å; L505-R629 VanDerWaalsContact O-NH1 3.09Å; C627-R629 PolarHBondContact O-N 3.19Å; R629-C631 VanDerWaalsContact C-N 3.31Å; R629-C631 PolarHBondContact O-N 2.97Å; R629-L632 PolarHBondContact O-N 3.19Å; R629-Y633 HydrophobicContact CB-CD2 4.28Å; R629-Y633 HydrophobicContact CB-CE2 4.4Å; R629-Y633 WeakPolarHBondContact O-CD2 3.48Å; R629-Y633 PolarHBondContact O-N 2.78Å
630A90.8Very high91.8Very high5 Ų541.5 Ų41.54%0.04121%0.208CC..Hα-helixtrans-59.4-45.8179.200000110.9W504 C627 E628 H634 F637W504-A630 HydrophobicContact CH2-CB 3.9Å; W504-A630 HydrophobicContact CZ2-CB 3.28Å; C627-A630 HydrophobicContact CB-CB 4.32Å; C627-A630 WeakPolarHBondContact O-CB 3.27Å; C627-A630 PolarHBondContact O-N 3.13Å; C627-A630 VanDerWaalsContact O-N 3.09Å; E628-A630 VanDerWaalsContact C-N 3.33Å; E628-A630 PolarHBondContact O-N 2.95Å; A630-H634 CarbonylContact O-C 3.55Å; A630-H634 WeakPolarHBondContact O-CA 3.4Å; A630-H634 WeakPolarHBondContact O-CB 3.47Å; A630-H634 PolarHBondContact O-N 3.17Å; A630-F637 HydrophobicContact CB-CD1 3.9Å; A630-F637 HydrophobicContact CB-CD2 3.86Å; A630-F637 HydrophobicContact CB-CE1 3.85Å; A630-F637 HydrophobicContact CB-CE2 3.83Å; A630-F637 HydrophobicContact CB-CG 3.88Å; A630-F637 HydrophobicContact CB-CZ 3.79Å
631C92.8Very high91.8Very high0 Ų039.1 Ų39.10%020%0.197CC..Hα-helixtrans-69.6-38.4178.6-63.20000112.9Y300 C627 E628 R629 H634 P635 F638Y300-C631 HydrophobicContact CD1-CB 3.81Å; Y300-C631 HydrophobicContact CD2-CB 3.64Å; Y300-C631 HydrophobicContact CE1-CB 3.81Å; Y300-C631 WeakPolarHBondContact CE1-O 3.21Å; Y300-C631 HydrophobicContact CE2-CB 3.66Å; Y300-C631 HydrophobicContact CG-CB 3.72Å; C627-C631 PolarHBondContact O-N 2.89Å; C627-C631 PolarHBondContact O-SG 3.37Å; E628-C631 PolarHBondContact O-N 3.04Å; R629-C631 VanDerWaalsContact C-N 3.31Å; R629-C631 PolarHBondContact O-N 2.97Å; C631-H634 CarbonylContact O-C 3.6Å; C631-P635 VanDerWaalsContact O-CA 3.3Å; C631-P635 WeakPolarHBondContact O-CA 3.42Å; C631-F638 WeakPolarHBondContact SG-CD2 3.24Å; C631-F638 WeakPolarHBondContact SG-CE2 3.3Å
632L88.9Confident91.8Very high106 Ų10639 Ų3956%0.55520%0.197SC*.Hα-helixtrans-64.3-46.7179-176.365.6000112E628 R629E628-L632 WeakPolarHBondContact O-CB 3.36Å; E628-L632 PolarHBondContact O-N 3.37Å; R629-L632 PolarHBondContact O-N 3.19Å
633Y88.5Confident91.8Very high115 Ų11537 Ų3745%0.45119%0.186SC..Hα-helixtrans-86.7-27.5-177-67.9-69.5000113.3Q537 R629Q537-Y633 VanDerWaalsContact CD-OH 3.31Å; Q537-Y633 PolarHBondContact NE2-OH 2.92Å; Q537-Y633 VanDerWaalsContact OE1-CE2 3.24Å; Q537-Y633 PolarHBondContact OE1-OH 2.75Å; R629-Y633 HydrophobicContact CB-CD2 4.28Å; R629-Y633 HydrophobicContact CB-CE2 4.4Å; R629-Y633 WeakPolarHBondContact O-CD2 3.48Å; R629-Y633 PolarHBondContact O-N 2.78Å
634H91.7Very high91.8Very high34 Ų3435.2 Ų35.216%0.15718%0.178CC..  trans-128.283.9175.6-56.2-81.8000109.3H539 A630 C631 N636 F637H539-H634 AromaticContact CD2-NE2 3.97Å; H539-H634 AromaticContact NE2-CE1 3.5Å; H539-H634 AromaticContact NE2-NE2 3.58Å; A630-H634 CarbonylContact O-C 3.55Å; A630-H634 WeakPolarHBondContact O-CA 3.4Å; A630-H634 WeakPolarHBondContact O-CB 3.47Å; A630-H634 PolarHBondContact O-N 3.17Å; C631-H634 CarbonylContact O-C 3.6Å; H634-N636 PolarHBondContact O-N 3.38Å; H634-F637 HydrophobicContact CB-CB 4.36Å; H634-F637 WeakPolarHBondContact O-CB 3.24Å; H634-F637 PolarHBondContact O-N 3.46Å
635P93.2Very high92.2Very high76 Ų7634.6 Ų34.649%0.49417%0.174SC..THydrogen-bonded Turntrans-58.3-21.1-177.7-2836.2000114.9Y300 C631 F637Y300-P635 HydrophobicContact CD1-CB 4.36Å; Y300-P635 HydrophobicContact CE1-CB 4.36Å; C631-P635 VanDerWaalsContact O-CA 3.3Å; C631-P635 WeakPolarHBondContact O-CA 3.42Å; P635-F637 VanDerWaalsContact C-N 3.32Å
636N93.6Very high92.3Very high95 Ų9534.3 Ų34.351%0.50817%0.171SC..THydrogen-bonded Turntrans-854174.1-76.5-35.8000114.3H634 F638 N639 D640H634-N636 PolarHBondContact O-N 3.38Å; N636-F638 PolarHBondContact O-N 3.04Å; N636-N639 WeakPolarHBondContact O-CA 3.45Å; N636-N639 WeakPolarHBondContact O-CB 3.34Å; N636-N639 PolarHBondContact O-N 3.46Å; N636-N639 PolarHBondContact OD1-ND2 2.87Å; N636-N639 VanDerWaalsContact OD1-ND2 3.15Å; N636-D640 PolarHBondContact O-N 3Å
637F95.7Very high92.5Very high0 Ų032.5 Ų32.50%016%0.162CC..Hα-helixtrans-52.1-53-174.6175.2-105.2000112.9V486 Y500 W504 L592 C627 A630 H634 P635 N639 D640 I641V486-F637 HydrophobicContact CG1-CE2 4.26Å; V486-F637 HydrophobicContact CG1-CZ 4.1Å; V486-F637 HydrophobicContact CG2-CE2 4.44Å; V486-F637 HydrophobicContact CG2-CZ 4.27Å; Y500-F637 HydrophobicContact CD1-CD2 4.18Å; Y500-F637 HydrophobicContact CD1-CE2 4.2Å; Y500-F637 HydrophobicContact CD2-CD2 4.04Å; Y500-F637 HydrophobicContact CD2-CE2 4.12Å; Y500-F637 AromaticContact CE1-CD2 3.88Å; Y500-F637 HydrophobicContact CE1-CD2 3.88Å; Y500-F637 HydrophobicContact CE1-CE2 4.36Å; Y500-F637 AromaticContact CE2-CD2 3.73Å; Y500-F637 HydrophobicContact CE2-CD2 3.73Å; Y500-F637 HydrophobicContact CE2-CE2 4.29Å; Y500-F637 HydrophobicContact CG-CD2 4.26Å; Y500-F637 HydrophobicContact CG-CE2 4.08Å; Y500-F637 AromaticContact CZ-CD2 3.64Å; W504-F637 HydrophobicContact CH2-CD2 4.18Å; W504-F637 AromaticContact CH2-CE2 3.67Å; W504-F637 HydrophobicContact CH2-CE2 3.67Å; W504-F637 HydrophobicContact CH2-CZ 4.48Å; W504-F637 HydrophobicContact CZ2-CE2 4.33Å; L592-F637 HydrophobicContact CD1-CZ 4.41Å; C627-F637 HydrophobicContact CB-CD1 4.4Å; C627-F637 HydrophobicContact CB-CE1 3.73Å; C627-F637 HydrophobicContact CB-CZ 4.47Å; C627-F637 VanDerWaalsContact SG-CE1 3.59Å; A630-F637 HydrophobicContact CB-CD1 3.9Å; A630-F637 HydrophobicContact CB-CD2 3.86Å; A630-F637 HydrophobicContact CB-CE1 3.85Å; A630-F637 HydrophobicContact CB-CE2 3.83Å; A630-F637 HydrophobicContact CB-CG 3.88Å; A630-F637 HydrophobicContact CB-CZ 3.79Å; H634-F637 HydrophobicContact CB-CB 4.36Å; H634-F637 WeakPolarHBondContact O-CB 3.24Å; H634-F637 PolarHBondContact O-N 3.46Å; P635-F637 VanDerWaalsContact C-N 3.32Å; F637-N639 VanDerWaalsContact C-N 3.34Å; F637-N639 PolarHBondContact O-N 3.29Å; F637-D640 PolarHBondContact O-N 3.07Å; F637-I641 HydrophobicContact CD1-CD1 3.5Å; F637-I641 HydrophobicContact CD2-CD1 3.98Å; F637-I641 HydrophobicContact CE1-CD1 3.18Å; F637-I641 HydrophobicContact CE2-CD1 3.7Å; F637-I641 HydrophobicContact CG-CD1 3.9Å; F637-I641 HydrophobicContact CZ-CD1 3.32Å; F637-I641 WeakPolarHBondContact O-CD1 3.38Å; F637-I641 VanDerWaalsContact O-CG1 3.29Å; F637-I641 WeakPolarHBondContact O-CG1 3.4Å; F637-I641 PolarHBondContact O-N 3.37Å
638F96Very high92Very high5 Ų536 Ų362%0.02218%0.18CC..Hα-helixtrans-69.8-30.7178.1-82-62.8000113.1Q296 V297 L301 W319 C627 C631 N636 I641 F642Q296-F638 HydrophobicContact CB-CE2 4.09Å; V297-F638 HydrophobicContact CG2-CD1 4.16Å; V297-F638 HydrophobicContact CG2-CD2 4.5Å; V297-F638 HydrophobicContact CG2-CE1 3.7Å; V297-F638 HydrophobicContact CG2-CE2 4.04Å; V297-F638 HydrophobicContact CG2-CZ 3.63Å; L301-F638 HydrophobicContact CB-CB 4.25Å; W319-F638 HydrophobicContact CZ2-CE1 4.19Å; C627-F638 HydrophobicContact CB-CE2 4.38Å; C627-F638 HydrophobicContact CB-CZ 4.12Å; C631-F638 WeakPolarHBondContact SG-CD2 3.24Å; C631-F638 WeakPolarHBondContact SG-CE2 3.3Å; N636-F638 PolarHBondContact O-N 3.04Å; F638-I641 HydrophobicContact CD1-CD1 4.08Å; F638-I641 HydrophobicContact CE1-CD1 4.4Å; F638-I641 PolarHBondContact O-N 3.19Å; F638-F642 HydrophobicContact CD1-CD2 4.39Å; F638-F642 HydrophobicContact CD1-CE2 4.06Å; F638-F642 WeakPolarHBondContact O-CB 3.31Å; F638-F642 VanDerWaalsContact O-CD2 3.24Å; F638-F642 WeakPolarHBondContact O-CD2 3.25Å; F638-F642 PolarHBondContact O-N 2.84Å
639N95.6Very high91.6Very high11 Ų1132.7 Ų32.76%0.05916%0.164CC..Hα-helixtrans-61.7-48.4173-65-28.8000110.5Y300 L301 T302 H303 N636 F637 I641 F642 S643Y300-N639 PolarHBondContact O-OD1 3.07Å; L301-N639 WeakPolarHBondContact CA-OD1 3.3Å; T302-N639 PolarHBondContact N-OD1 3.42Å; T302-N639 PolarHBondContact OG1-ND2 3.3Å; H303-N639 HydrophobicContact CB-CB 4.17Å; H303-N639 WeakPolarHBondContact CB-OD1 3.41Å; H303-N639 PolarHBondContact N-OD1 3.45Å; N636-N639 WeakPolarHBondContact O-CA 3.45Å; N636-N639 WeakPolarHBondContact O-CB 3.34Å; N636-N639 PolarHBondContact O-N 3.46Å; N636-N639 PolarHBondContact OD1-ND2 2.87Å; N636-N639 VanDerWaalsContact OD1-ND2 3.15Å; F637-N639 VanDerWaalsContact C-N 3.34Å; F637-N639 PolarHBondContact O-N 3.29Å; N639-I641 PolarHBondContact O-N 2.66Å; N639-F642 PolarHBondContact O-N 2.97Å; N639-S643 WeakPolarHBondContact O-CB 3.41Å; N639-S643 PolarHBondContact O-N 2.83Å; N639-S643 PolarHBondContact O-OG 3.27Å; N639-S643 VanDerWaalsContact O-OG 3.12Å
640D95.1Very high90.7Very high14 Ų1433.5 Ų33.58%0.07518%0.177CC..Hα-helixtrans-59.6-47.1177.1-74.8-17.4000111.2Y500 N636 F637 S643 C644 C654 N655 I656Y500-D640 HydrophobicContact CE2-CB 3.92Å; Y500-D640 PolarHBondContact OH-OD2 3.29Å; N636-D640 PolarHBondContact O-N 3Å; F637-D640 PolarHBondContact O-N 3.07Å; D640-S643 PolarHBondContact O-N 3.19Å; D640-C644 WeakPolarHBondContact O-CB 3.44Å; D640-C644 PolarHBondContact O-N 3.11Å; D640-C654 HydrophobicContact CB-CB 4.08Å; D640-N655 WeakPolarHBondContact OD2-CB 3.2Å; D640-N655 PolarHBondContact OD2-N 3.13Å; D640-N655 VanDerWaalsContact OD2-N 3.09Å; D640-N655 PolarHBondContact OD2-ND2 2.82Å; D640-I656 HydrophobicContact CB-CD1 4.12Å; D640-I656 HydrophobicContact CB-CG1 4.42Å; D640-I656 WeakPolarHBondContact O-CD1 3.08Å
641I95.3Very high89.7Confident0 Ų035 Ų350%019%0.187CC..Hα-helixtrans-58.7-51.1178.7-71.8158.5000111.3W319 L488 L592 F637 F638 N639 C644 L645W319-I641 HydrophobicContact CH2-CG2 3.89Å; W319-I641 HydrophobicContact CZ3-CG2 4.36Å; L488-I641 HydrophobicContact CD2-CB 4.17Å; L488-I641 HydrophobicContact CD2-CG1 4.04Å; L488-I641 HydrophobicContact CD2-CG2 3.95Å; L592-I641 HydrophobicContact CD1-CB 4.41Å; L592-I641 HydrophobicContact CD1-CD1 3.24Å; L592-I641 HydrophobicContact CD1-CG1 3.66Å; L592-I641 HydrophobicContact CD1-CG2 3.83Å; F637-I641 HydrophobicContact CD1-CD1 3.5Å; F637-I641 HydrophobicContact CD2-CD1 3.98Å; F637-I641 HydrophobicContact CE1-CD1 3.18Å; F637-I641 HydrophobicContact CE2-CD1 3.7Å; F637-I641 HydrophobicContact CG-CD1 3.9Å; F637-I641 HydrophobicContact CZ-CD1 3.32Å; F637-I641 WeakPolarHBondContact O-CD1 3.38Å; F637-I641 VanDerWaalsContact O-CG1 3.29Å; F637-I641 WeakPolarHBondContact O-CG1 3.4Å; F637-I641 PolarHBondContact O-N 3.37Å; F638-I641 HydrophobicContact CD1-CD1 4.08Å; F638-I641 HydrophobicContact CE1-CD1 4.4Å; F638-I641 PolarHBondContact O-N 3.19Å; N639-I641 PolarHBondContact O-N 2.66Å; I641-C644 PolarHBondContact O-N 3.34Å; I641-L645 HydrophobicContact CG2-CD1 3.74Å; I641-L645 HydrophobicContact CG2-CG 4.43Å; I641-L645 WeakPolarHBondContact O-CB 3.45Å; I641-L645 WeakPolarHBondContact O-CG 3.33Å; I641-L645 PolarHBondContact O-N 2.83Å
642F95.5Very high88.6Confident0 Ų042 Ų420%023%0.225CC..Hα-helixtrans-69.1-39.5-176.7-86.8-115.3000111.5V290 V297 L301 F306 I317 W319 F638 N639 C644 L645 F646V290-F642 HydrophobicContact CG1-CE1 3.99Å; V290-F642 HydrophobicContact CG1-CZ 4.43Å; V290-F642 HydrophobicContact CG2-CE1 4.17Å; V297-F642 HydrophobicContact CG1-CE2 4.25Å; V297-F642 HydrophobicContact CG1-CZ 4.01Å; L301-F642 HydrophobicContact CD1-CB 3.75Å; L301-F642 HydrophobicContact CD1-CD1 3.99Å; L301-F642 HydrophobicContact CD1-CD2 4.04Å; L301-F642 HydrophobicContact CD1-CG 3.66Å; L301-F642 HydrophobicContact CD2-CD1 3.54Å; L301-F642 HydrophobicContact CD2-CD2 4.28Å; L301-F642 HydrophobicContact CD2-CE1 3.43Å; L301-F642 VanDerWaalsContact CD2-CE1 3.43Å; L301-F642 HydrophobicContact CD2-CE2 4.19Å; L301-F642 HydrophobicContact CD2-CG 3.98Å; L301-F642 HydrophobicContact CD2-CZ 3.77Å; L301-F642 HydrophobicContact CG-CD1 4.43Å; L301-F642 HydrophobicContact CG-CG 4.46Å; F306-F642 AromaticContact CD1-CD1 3.95Å; F306-F642 HydrophobicContact CD1-CD1 3.95Å; F306-F642 HydrophobicContact CD2-CB 4.44Å; F306-F642 HydrophobicContact CE1-CB 4.17Å; F306-F642 AromaticContact CE1-CD1 3.84Å; F306-F642 HydrophobicContact CE1-CD1 3.84Å; F306-F642 HydrophobicContact CE2-CB 3.79Å; F306-F642 HydrophobicContact CG-CD1 4.41Å; F306-F642 HydrophobicContact CZ-CB 3.63Å; F306-F642 HydrophobicContact CZ-CD1 4.19Å; F306-F642 HydrophobicContact CZ-CG 4.44Å; I317-F642 HydrophobicContact CD1-CD1 4.37Å; I317-F642 HydrophobicContact CD1-CE1 4.46Å; I317-F642 HydrophobicContact CG2-CE1 4.22Å; W319-F642 HydrophobicContact CB-CZ 4.28Å; W319-F642 AromaticContact CD2-CE2 3.93Å; W319-F642 HydrophobicContact CD2-CE2 3.93Å; W319-F642 AromaticContact CD2-CZ 3.71Å; W319-F642 HydrophobicContact CD2-CZ 3.71Å; W319-F642 HydrophobicContact CE3-CE1 4.27Å; W319-F642 AromaticContact CE3-CE2 3.6Å; W319-F642 HydrophobicContact CE3-CE2 3.6Å; W319-F642 AromaticContact CE3-CZ 3.41Å; W319-F642 HydrophobicContact CE3-CZ 3.41Å; W319-F642 VanDerWaalsContact CE3-CZ 3.41Å; W319-F642 HydrophobicContact CG-CZ 4.09Å; W319-F642 HydrophobicContact CH2-CE2 4.2Å; W319-F642 HydrophobicContact CZ2-CE2 4.48Å; W319-F642 HydrophobicContact CZ3-CD2 4.42Å; W319-F642 AromaticContact CZ3-CE2 3.76Å; W319-F642 HydrophobicContact CZ3-CE2 3.76Å; W319-F642 HydrophobicContact CZ3-CZ 4.02Å; F638-F642 HydrophobicContact CD1-CD2 4.39Å; F638-F642 HydrophobicContact CD1-CE2 4.06Å; F638-F642 WeakPolarHBondContact O-CB 3.31Å; F638-F642 VanDerWaalsContact O-CD2 3.24Å; F638-F642 WeakPolarHBondContact O-CD2 3.25Å; F638-F642 PolarHBondContact O-N 2.84Å; N639-F642 PolarHBondContact O-N 2.97Å; F642-C644 VanDerWaalsContact C-N 3.29Å; F642-C644 PolarHBondContact O-N 3.47Å; F642-L645 PolarHBondContact O-N 2.81Å; F642-F646 HydrophobicContact CB-CD2 4.07Å; F642-F646 HydrophobicContact CB-CE2 4.47Å; F642-F646 AromaticContact CD1-CD2 3.68Å; F642-F646 HydrophobicContact CD1-CD2 3.68Å; F642-F646 AromaticContact CD1-CE2 3.62Å; F642-F646 HydrophobicContact CD1-CE2 3.62Å; F642-F646 HydrophobicContact CD2-CE2 4.46Å; F642-F646 HydrophobicContact CE1-CD2 4.35Å; F642-F646 AromaticContact CE1-CE2 3.88Å; F642-F646 HydrophobicContact CE1-CE2 3.88Å; F642-F646 AromaticContact CG-CD2 3.99Å; F642-F646 HydrophobicContact CG-CD2 3.99Å; F642-F646 AromaticContact CG-CE2 3.95Å; F642-F646 HydrophobicContact CG-CE2 3.95Å; F642-F646 HydrophobicContact CZ-CE2 4.42Å; F642-F646 WeakPolarHBondContact O-CB 3.47Å; F642-F646 WeakPolarHBondContact O-CD2 3.38Å; F642-F646 PolarHBondContact O-N 3.4Å
643S93.8Very high88Confident2 Ų240.8 Ų40.81%0.01423%0.225CC..Hα-helixtrans-57.2-43.1172.5-78.90000112.2H303 N639 D640 L647 D648 Q649H303-S643 PolarHBondContact CD2-OG 2.81Å; N639-S643 WeakPolarHBondContact O-CB 3.41Å; N639-S643 PolarHBondContact O-N 2.83Å; N639-S643 PolarHBondContact O-OG 3.27Å; N639-S643 VanDerWaalsContact O-OG 3.12Å; D640-S643 PolarHBondContact O-N 3.19Å; S643-L647 WeakPolarHBondContact O-CB 3.18Å; S643-L647 PolarHBondContact O-N 2.88Å; S643-L647 VanDerWaalsContact O-N 3.16Å; S643-D648 PolarHBondContact O-N 3.21Å; S643-Q649 PolarHBondContact O-N 3.05Å; S643-Q649 PolarHBondContact OG-OE1 2.81Å
644C93.1Very high87.7Confident4 Ų435.7 Ų35.73%0.02721%0.206CC..Hα-helixtrans-67.1-52.1174.8174.80000111.8L488 R490 D640 I641 F642 F646 I656L488-C644 HydrophobicContact CD2-CB 4.29Å; R490-C644 PolarHBondContact NE-O 3.04Å; R490-C644 PolarHBondContact NH2-O 3.49Å; R490-C644 PolarHBondContact NH2-SG 2.87Å; D640-C644 WeakPolarHBondContact O-CB 3.44Å; D640-C644 PolarHBondContact O-N 3.11Å; I641-C644 PolarHBondContact O-N 3.34Å; F642-C644 VanDerWaalsContact C-N 3.29Å; F642-C644 PolarHBondContact O-N 3.47Å; C644-F646 PolarHBondContact O-N 3.49Å; C644-I656 HydrophobicContact CB-CD1 3.24Å
645L93.7Very high87.6Confident0 Ų037.2 Ų37.20%022%0.215CC..Hα-helixtrans-70.8-31-171.4-69.9176.1000113.9W319 L488 R490 R590 I641 F642W319-L645 HydrophobicContact CH2-CD1 4.17Å; W319-L645 HydrophobicContact CZ3-CD1 3.9Å; L488-L645 HydrophobicContact CB-CD2 4.05Å; L488-L645 HydrophobicContact CD2-CD1 4.33Å; L488-L645 HydrophobicContact CD2-CD2 4.25Å; L488-L645 HydrophobicContact CD2-CG 4.01Å; R490-L645 HydrophobicContact CB-CD2 4.33Å; R590-L645 HydrophobicContact CB-CB 4.22Å; R590-L645 HydrophobicContact CB-CD1 4.23Å; R590-L645 HydrophobicContact CB-CD2 4.15Å; R590-L645 HydrophobicContact CB-CG 4.43Å; R590-L645 WeakPolarHBondContact CD-O 3.47Å; R590-L645 HydrophobicContact CG-CB 4.27Å; R590-L645 PolarHBondContact NE-O 3.36Å; I641-L645 HydrophobicContact CG2-CD1 3.74Å; I641-L645 HydrophobicContact CG2-CG 4.43Å; I641-L645 WeakPolarHBondContact O-CB 3.45Å; I641-L645 WeakPolarHBondContact O-CG 3.33Å; I641-L645 PolarHBondContact O-N 2.83Å; F642-L645 PolarHBondContact O-N 2.81Å
646F93.7Very high87.6Confident8 Ų833.7 Ų33.74%0.03519%0.192CC..Hα-helixtrans-125.5-24.9-166-51.4-69.6000115.3F288 F306 I317 W319 Y338 R590 F642 C644F288-F646 HydrophobicContact CE2-CB 4.41Å; F306-F646 HydrophobicContact CE1-CB 4.24Å; F306-F646 HydrophobicContact CE1-CD2 4.37Å; F306-F646 HydrophobicContact CZ-CB 4.42Å; I317-F646 HydrophobicContact CD1-CB 4.03Å; I317-F646 HydrophobicContact CD1-CD1 3.74Å; I317-F646 HydrophobicContact CD1-CD2 3.62Å; I317-F646 HydrophobicContact CD1-CE1 4.06Å; I317-F646 HydrophobicContact CD1-CE2 3.96Å; I317-F646 HydrophobicContact CD1-CG 3.51Å; I317-F646 HydrophobicContact CD1-CZ 4.17Å; I317-F646 HydrophobicContact CG1-CD1 4.04Å; I317-F646 HydrophobicContact CG1-CE1 4.05Å; I317-F646 HydrophobicContact CG1-CG 4.32Å; I317-F646 HydrophobicContact CG1-CZ 4.37Å; I317-F646 HydrophobicContact CG2-CE1 3.99Å; I317-F646 HydrophobicContact CG2-CE2 4.07Å; I317-F646 HydrophobicContact CG2-CZ 3.63Å; W319-F646 HydrophobicContact CE3-CE2 4.4Å; W319-F646 HydrophobicContact CE3-CZ 4.38Å; W319-F646 HydrophobicContact CZ3-CE2 4.25Å; W319-F646 HydrophobicContact CZ3-CZ 4.32Å; Y338-F646 AromaticContact CD2-CD1 3.74Å; Y338-F646 HydrophobicContact CD2-CD1 3.74Å; Y338-F646 HydrophobicContact CD2-CE1 4.12Å; Y338-F646 HydrophobicContact CE2-CD1 4.19Å; Y338-F646 HydrophobicContact CG-CD1 4.03Å; Y338-F646 AromaticContact CG-CE1 3.95Å; Y338-F646 HydrophobicContact CG-CE1 3.95Å; R590-F646 HydrophobicContact CB-CE1 3.81Å; R590-F646 HydrophobicContact CB-CZ 4.01Å; R590-F646 HydrophobicContact CG-CD1 4.03Å; R590-F646 HydrophobicContact CG-CE1 3.5Å; R590-F646 VanDerWaalsContact CG-CE1 3.5Å; R590-F646 HydrophobicContact CG-CZ 4.18Å; F642-F646 HydrophobicContact CB-CD2 4.07Å; F642-F646 HydrophobicContact CB-CE2 4.47Å; F642-F646 AromaticContact CD1-CD2 3.68Å; F642-F646 HydrophobicContact CD1-CD2 3.68Å; F642-F646 AromaticContact CD1-CE2 3.62Å; F642-F646 HydrophobicContact CD1-CE2 3.62Å; F642-F646 HydrophobicContact CD2-CE2 4.46Å; F642-F646 HydrophobicContact CE1-CD2 4.35Å; F642-F646 AromaticContact CE1-CE2 3.88Å; F642-F646 HydrophobicContact CE1-CE2 3.88Å; F642-F646 AromaticContact CG-CD2 3.99Å; F642-F646 HydrophobicContact CG-CD2 3.99Å; F642-F646 AromaticContact CG-CE2 3.95Å; F642-F646 HydrophobicContact CG-CE2 3.95Å; F642-F646 HydrophobicContact CZ-CE2 4.42Å; F642-F646 WeakPolarHBondContact O-CB 3.47Å; F642-F646 WeakPolarHBondContact O-CD2 3.38Å; F642-F646 PolarHBondContact O-N 3.4Å; C644-F646 PolarHBondContact O-N 3.49Å
647L90.7Very high87.6Confident27 Ų2733 Ų3314%0.14119%0.185CC..Hα-helixtrans-101.3-1.5-178.2-55.7-178.4000113.9F288 Q305 F306 S643 Q649F288-L647 HydrophobicContact CD2-CD2 3.88Å; F288-L647 HydrophobicContact CE2-CD2 3.79Å; Q305-L647 HydrophobicContact CB-CD1 4.15Å; Q305-L647 HydrophobicContact CB-CD2 4.37Å; F306-L647 HydrophobicContact CE1-CD2 4.46Å; F306-L647 HydrophobicContact CE2-CD1 3.75Å; F306-L647 HydrophobicContact CE2-CG 4.17Å; F306-L647 HydrophobicContact CZ-CD1 3.81Å; F306-L647 HydrophobicContact CZ-CD2 3.93Å; F306-L647 HydrophobicContact CZ-CG 3.68Å; S643-L647 WeakPolarHBondContact O-CB 3.18Å; S643-L647 PolarHBondContact O-N 2.88Å; S643-L647 VanDerWaalsContact O-N 3.16Å; L647-Q649 HydrophobicContact CB-CG 3.91Å; L647-Q649 PolarHBondContact O-N 2.64Å
648D79.2Confident87.6Confident80 Ų8037.6 Ų37.643%0.42821%0.206SC..  trans51.626.8-175.2-71.5-38.4000114R490 S643R490-D648 IonicContact CZ-OD1 3.29Å; R490-D648 IonicContact NH1-OD1 3.31Å; R490-D648 PolarHBondContact NH1-OD1 2.92Å; S643-D648 PolarHBondContact O-N 3.21Å
649Q78.9Confident87.6Confident58 Ų5837.8 Ų37.827%0.27121%0.207SC..  trans-65.5150.5179-73.5-178.9-0.400111.5S643 L647S643-Q649 PolarHBondContact O-N 3.05Å; S643-Q649 PolarHBondContact OG-OE1 2.81Å; L647-Q649 HydrophobicContact CB-CG 3.91Å; L647-Q649 PolarHBondContact O-N 2.64Å
650S68.6Low86.9Confident63 Ų6345 Ų4544%0.44125%0.251SS..  trans-69.5156.5-178.188.30000111.8D652 S653S650-D652 PolarHBondContact O-N 3.03Å; S650-D652 VanDerWaalsContact O-N 3.13Å; S650-D652 PolarHBondContact OG-N 2.82Å; S650-D652 PolarHBondContact OG-OD2 2.89Å; S650-S653 PolarHBondContact O-N 2.8Å; S650-S653 PolarHBondContact O-OG 3.39Å
651C69.1Low86.5Confident36 Ų3646.6 Ų46.624%0.24326%0.26CS..THydrogen-bonded Turntrans-65.5-10.4176.4-62.80000113.9K501 C654 I656K501-C651 PolarHBondContact NZ-O 3.17Å; C651-C654 VanDerWaalsContact O-O 3.06Å; C651-I656 WeakPolarHBondContact CB-O 3.33Å
652D71.5Confident86.1Confident149 Ų14949 Ų4980%0.79727%0.274SS*.THydrogen-bonded Turntrans-81.1-28.5-176.2-55.2-43.2000112S650S650-D652 PolarHBondContact O-N 3.03Å; S650-D652 VanDerWaalsContact O-N 3.13Å; S650-D652 PolarHBondContact OG-N 2.82Å; S650-D652 PolarHBondContact OG-OD2 2.89Å
653S74.7Confident85.5Confident79 Ų7951.7 Ų51.755%0.55229%0.289SS*.THydrogen-bonded Turntrans-88-14.2179.654.90000114.2S650S650-S653 PolarHBondContact O-N 2.8Å; S650-S653 PolarHBondContact O-OG 3.39Å
654C83.2Confident85.1Confident9 Ų954.6 Ų54.66%0.06131%0.305CS..SBendtrans-123.7159.2-173.4-63.40000111.6K501 D640 C651 I656K501-C654 PolarHBondContact NZ-O 3.3Å; D640-C654 HydrophobicContact CB-CB 4.08Å; C651-C654 VanDerWaalsContact O-O 3.06Å; C654-I656 HydrophobicContact CB-CB 4.33Å; C654-I656 HydrophobicContact CB-CD1 4.25Å; C654-I656 HydrophobicContact CB-CG1 4.22Å; C654-I656 PolarHBondContact O-N 2.73Å
655N89.6Confident84.6Confident66 Ų6657.8 Ų57.835%0.35332%0.323SS..SBendtrans-76.448.7172.6-68.2-60.2000112.7Y500 K501 D640Y500-N655 CarbonylContact C-O 2.8Å; Y500-N655 WeakPolarHBondContact CA-O 3.45Å; Y500-N655 HydrophobicContact CD2-CB 4.38Å; Y500-N655 WeakPolarHBondContact CD2-O 3.28Å; Y500-N655 HydrophobicContact CE1-CB 4.09Å; Y500-N655 HydrophobicContact CE2-CB 3.69Å; K501-N655 PolarHBondContact N-O 3.24Å; D640-N655 WeakPolarHBondContact OD2-CB 3.2Å; D640-N655 PolarHBondContact OD2-N 3.13Å; D640-N655 VanDerWaalsContact OD2-N 3.09Å; D640-N655 PolarHBondContact OD2-ND2 2.82Å
656I93.1Very high83.9Confident1 Ų161.7 Ų61.71%0.00534%0.344CS..EExtended strand (participates in β ladder)trans-127.6137.6-172.9-65.7177.9000109.9L488 Y498 T499 Y500 K501 D640 C644 C651 C654L488-I656 HydrophobicContact CD2-CD1 4.18Å; Y498-I656 VanDerWaalsContact CB-CG2 3.48Å; Y498-I656 HydrophobicContact CD1-CG2 3.67Å; Y498-I656 HydrophobicContact CG-CG2 3.84Å; T499-I656 WeakPolarHBondContact O-CA 3.38Å; Y500-I656 HydrophobicContact CD2-CG1 4.08Å; K501-I656 WeakPolarHBondContact CE-O 3.37Å; D640-I656 HydrophobicContact CB-CD1 4.12Å; D640-I656 HydrophobicContact CB-CG1 4.42Å; D640-I656 WeakPolarHBondContact O-CD1 3.08Å; C644-I656 HydrophobicContact CB-CD1 3.24Å; C651-I656 WeakPolarHBondContact CB-O 3.33Å; C654-I656 HydrophobicContact CB-CB 4.33Å; C654-I656 HydrophobicContact CB-CD1 4.25Å; C654-I656 HydrophobicContact CB-CG1 4.22Å; C654-I656 PolarHBondContact O-N 2.73Å
657H94.2Very high83.2Confident80 Ų8065.5 Ų65.537%0.3737%0.366SS..EExtended strand (participates in β ladder)trans-118.5131.4177.3176.471.3000109.2Y498 T499 K501 H564 L659Y498-H657 CarbonylContact C-O 3.55Å; Y498-H657 WeakPolarHBondContact CA-O 3.46Å; Y498-H657 WeakPolarHBondContact CB-O 3.48Å; T499-H657 HydrophobicContact CG2-CB 3.94Å; T499-H657 PolarHBondContact N-O 3.43Å; T499-H657 PolarHBondContact O-N 3.08Å; K501-H657 HydrophobicContact CG-CB 4.13Å; H564-H657 AromaticContact CE1-CD2 3.7Å; H564-H657 AromaticContact CE1-NE2 3.9Å; H564-H657 AromaticContact ND1-CD2 3.88Å; H564-H657 AromaticContact ND1-NE2 3.76Å; H657-L659 PolarHBondContact O-N 2.91Å
658K94.7Very high82.7Confident98 Ų9868.5 Ų68.543%0.42638%0.384SS..EExtended strand (participates in β ladder)trans-75.9125.9175.6-171177179.7-177.60109.3Y498 T660Y498-K658 VanDerWaalsContact CD1-CA 3.48Å; Y498-K658 HydrophobicContact CD1-CB 3.73Å; Y498-K658 HydrophobicContact CD1-CG 4.03Å; Y498-K658 HydrophobicContact CE1-CB 3.67Å; Y498-K658 HydrophobicContact CE1-CD 4.15Å; Y498-K658 HydrophobicContact CE1-CG 3.73Å; K658-T660 HydrophobicContact CG-CG2 4.48Å
659L95.2Very high83Confident9 Ų967.5 Ų67.55%0.04738%0.38CS..EExtended strand (participates in β ladder)trans-81.7132.1172.7-65.7171.4000108.4V487 L497 T499 H564 L567 V568 H657V487-L659 HydrophobicContact CG1-CD1 4.13Å; L497-L659 HydrophobicContact CB-CB 3.96Å; L497-L659 HydrophobicContact CB-CD1 4.15Å; L497-L659 PolarHBondContact O-N 3.25Å; T499-L659 HydrophobicContact CG2-CD2 3.8Å; T499-L659 HydrophobicContact CG2-CG 4.13Å; H564-L659 HydrophobicContact CB-CD2 3.74Å; L567-L659 HydrophobicContact CB-CD1 3.95Å; L567-L659 HydrophobicContact CD1-CD1 4.25Å; V568-L659 HydrophobicContact CG2-CB 3.76Å; H657-L659 PolarHBondContact O-N 2.91Å
660T82.8Confident83.3Confident162 Ų16268.4 Ų68.499%0.99439%0.39SS*.  trans-129.10-176.457.60000111.9K658K658-T660 HydrophobicContact CG-CG2 4.48Å

Retrieved 660 of 660 residues in 313.4 ms (Link to these results)

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