A0A5K4FD66_SCHMA Loading...

ULP_PROTEASE domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FD66, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 607 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
1M58.4Low78.7Confident115 Ų11587 Ų8757%0.56749%0.493SS*.  0128.90-168.3170.4176.400107.1L5 Q6 L9 I24M1-L5 HydrophobicContact CE-CB 4.05Å; M1-L5 WeakPolarHBondContact CE-O 3.39Å; M1-L5 HydrophobicContact CG-CB 3.96Å; M1-Q6 HydrophobicContact CE-CB 4.22Å; M1-Q6 HydrophobicContact SD-CB 4.48Å; M1-Q6 PolarHBondContact SD-OE1 3.47Å; M1-L9 HydrophobicContact CE-CB 3.84Å; M1-L9 HydrophobicContact CE-CD2 3.65Å; M1-L9 HydrophobicContact CE-CG 4.4Å; M1-I24 HydrophobicContact CE-CD1 4.1Å; M1-I24 HydrophobicContact CE-CG1 3.92Å; M1-I24 HydrophobicContact CG-CD1 4.35Å; M1-I24 HydrophobicContact SD-CD1 3.88Å; M1-I24 HydrophobicContact SD-CG1 4.35Å
2T74.5Confident79.1Confident87 Ų8782.8 Ų82.853%0.53447%0.466SS..  trans-71.7153.1179.358.40000110.3S4 L5 Q6T2-S4 PolarHBondContact O-N 3.32Å; T2-L5 PolarHBondContact O-N 3.37Å; T2-L5 VanDerWaalsContact O-N 3.12Å; T2-L5 WeakPolarHBondContact OG1-CG 3.47Å; T2-Q6 PolarHBondContact O-N 2.87Å; T2-Q6 VanDerWaalsContact O-N 3.15Å
3G75.1Confident79.4Confident54 Ų5477.5 Ų77.556%0.55743%0.434SS*.Hα-helixtrans-57.4-32.7179.300000113.4Q6 K7G3-Q6 PolarHBondContact O-N 2.95Å; G3-K7 WeakPolarHBondContact O-CG 3.32Å; G3-K7 PolarHBondContact O-N 3.39Å; G3-K7 VanDerWaalsContact O-N 3.14Å
4S80Confident79.9Confident74 Ų7472 Ų7252%0.51740%0.403SS..Hα-helixtrans-65.6-45.4175.3178.40000112.6T2 Q6 K7 K8T2-S4 PolarHBondContact O-N 3.32Å; S4-Q6 VanDerWaalsContact C-N 3.32Å; S4-Q6 PolarHBondContact O-N 3.08Å; S4-K7 PolarHBondContact O-N 3.11Å; S4-K8 PolarHBondContact O-N 2.73Å
5L77.4Confident80.1Confident65 Ų6577.7 Ų77.734%0.3442%0.416SS..Hα-helixtrans-63.4-38.9177.1-78170.4000111.8M1 T2 K8 L9 L27M1-L5 HydrophobicContact CE-CB 4.05Å; M1-L5 WeakPolarHBondContact CE-O 3.39Å; M1-L5 HydrophobicContact CG-CB 3.96Å; T2-L5 PolarHBondContact O-N 3.37Å; T2-L5 VanDerWaalsContact O-N 3.12Å; T2-L5 WeakPolarHBondContact OG1-CG 3.47Å; L5-K8 PolarHBondContact O-N 2.75Å; L5-L9 WeakPolarHBondContact O-CB 3.49Å; L5-L9 PolarHBondContact O-N 3.28Å; L5-L27 HydrophobicContact CD2-CD1 4.41Å
6Q82Confident80.2Confident75 Ų7575.3 Ų75.335%0.3541%0.407SS..Hα-helixtrans-64.6-42.2178.3-172.565.552.100111.2M1 T2 G3 S4 L9 N10M1-Q6 HydrophobicContact CE-CB 4.22Å; M1-Q6 HydrophobicContact SD-CB 4.48Å; M1-Q6 PolarHBondContact SD-OE1 3.47Å; T2-Q6 PolarHBondContact O-N 2.87Å; T2-Q6 VanDerWaalsContact O-N 3.15Å; G3-Q6 PolarHBondContact O-N 2.95Å; S4-Q6 VanDerWaalsContact C-N 3.32Å; S4-Q6 PolarHBondContact O-N 3.08Å; Q6-L9 PolarHBondContact O-N 3.24Å; Q6-N10 PolarHBondContact NE2-OD1 3.01Å; Q6-N10 WeakPolarHBondContact O-CB 3.2Å; Q6-N10 PolarHBondContact O-N 3.29Å; Q6-N10 PolarHBondContact O-ND2 2.85Å; Q6-N10 PolarHBondContact O-OD1 3.07Å
7K84.5Confident80.5Confident166 Ų16671.4 Ų71.472%0.72239%0.386SS*.Hα-helixtrans-60.2-45.2174.3-72.9179.4-179.4-174.90111.7G3 S4 N10 A11G3-K7 WeakPolarHBondContact O-CG 3.32Å; G3-K7 PolarHBondContact O-N 3.39Å; G3-K7 VanDerWaalsContact O-N 3.14Å; S4-K7 PolarHBondContact O-N 3.11Å; K7-N10 PolarHBondContact O-N 2.86Å; K7-A11 PolarHBondContact O-N 2.95Å
8K84Confident80.4Confident137 Ų13773.6 Ų73.660%0.59641%0.405SS*.Hα-helixtrans-60.2-46175.5-72.9-174179-172.50111.9S4 L5 N10 A11 H12S4-K8 PolarHBondContact O-N 2.73Å; L5-K8 PolarHBondContact O-N 2.75Å; K8-N10 PolarHBondContact O-N 3.25Å; K8-A11 PolarHBondContact O-N 3.14Å; K8-H12 WeakPolarHBondContact O-CB 3.25Å; K8-H12 PolarHBondContact O-N 3.09Å
9L83.9Confident80.7Confident11 Ų1173.9 Ų73.96%0.05841%0.406CS..Hα-helixtrans-61.8-43.6178.4-176.461.5000112.1M1 L5 Q6 A11 H12 A14 R15 A23 L27M1-L9 HydrophobicContact CE-CB 3.84Å; M1-L9 HydrophobicContact CE-CD2 3.65Å; M1-L9 HydrophobicContact CE-CG 4.4Å; L5-L9 WeakPolarHBondContact O-CB 3.49Å; L5-L9 PolarHBondContact O-N 3.28Å; Q6-L9 PolarHBondContact O-N 3.24Å; L9-A11 PolarHBondContact O-N 3.27Å; L9-A11 VanDerWaalsContact O-N 3.14Å; L9-H12 PolarHBondContact O-N 2.94Å; L9-A14 HydrophobicContact CD1-CB 4.12Å; L9-R15 HydrophobicContact CD1-CB 4.46Å; L9-R15 HydrophobicContact CG-CB 4.4Å; L9-R15 WeakPolarHBondContact O-CB 3.14Å; L9-A23 HydrophobicContact CD1-CB 4.01Å; L9-A23 HydrophobicContact CD2-CB 4.29Å; L9-L27 HydrophobicContact CB-CD1 4.45Å; L9-L27 HydrophobicContact CB-CD2 4.35Å; L9-L27 HydrophobicContact CD1-CD2 3.84Å; L9-L27 HydrophobicContact CD1-CG 4.29Å
10N83.8Confident80.9Confident84 Ų8478.1 Ų78.145%0.44942%0.42SS..Hα-helixtrans-60.9-26.3-179.7-69-8.4000113.5Q6 K7 K8 R15Q6-N10 PolarHBondContact NE2-OD1 3.01Å; Q6-N10 WeakPolarHBondContact O-CB 3.2Å; Q6-N10 PolarHBondContact O-N 3.29Å; Q6-N10 PolarHBondContact O-ND2 2.85Å; Q6-N10 PolarHBondContact O-OD1 3.07Å; K7-N10 PolarHBondContact O-N 2.86Å; K8-N10 PolarHBondContact O-N 3.25Å; N10-R15 VanDerWaalsContact O-CD 3.31Å; N10-R15 WeakPolarHBondContact O-CD 3.33Å; N10-R15 PolarHBondContact O-NH1 3.36Å
11A81.6Confident81.2Confident89 Ų8984.2 Ų84.274%0.73644%0.437SS*.Hα-helixtrans-92.6-7176.600000113.9K7 K8 L9K7-A11 PolarHBondContact O-N 2.95Å; K8-A11 PolarHBondContact O-N 3.14Å; L9-A11 PolarHBondContact O-N 3.27Å; L9-A11 VanDerWaalsContact O-N 3.14Å
12H83.6Confident82.5Confident36 Ų3679.1 Ų79.117%0.16741%0.412CS..SBendtrans-103.1150.8-175.6-163.9-100.7000111.7K8 L9 A14 R15 L26 L27 V29K8-H12 WeakPolarHBondContact O-CB 3.25Å; K8-H12 PolarHBondContact O-N 3.09Å; L9-H12 PolarHBondContact O-N 2.94Å; H12-A14 VanDerWaalsContact ND1-CB 3.26Å; H12-A14 WeakPolarHBondContact ND1-CB 3.23Å; H12-A14 PolarHBondContact ND1-N 2.86Å; H12-A14 PolarHBondContact O-N 2.79Å; H12-R15 WeakPolarHBondContact O-CB 3.42Å; H12-R15 WeakPolarHBondContact O-CD 3.35Å; H12-R15 VanDerWaalsContact O-CG 3.28Å; H12-R15 WeakPolarHBondContact O-CG 3.22Å; H12-R15 PolarHBondContact O-N 2.78Å; H12-L26 PolarHBondContact CE1-O 3.4Å; H12-L26 VanDerWaalsContact CE1-O 3.27Å; H12-L27 HydrophobicContact CB-CD2 3.56Å; H12-V29 PolarHBondContact NE2-O 3.4Å
13W82.8Confident83.2Confident15 Ų1575 Ų756%0.05739%0.387CS..G310 helixtrans-59.2-30.8178.466.3-98.9000112.5R15 C16 V17 L26 V29 V55 Y66 F137 M140W13-R15 PolarHBondContact O-N 3.04Å; W13-C16 PolarHBondContact O-N 2.87Å; W13-V17 HydrophobicContact CZ3-CG2 4.49Å; W13-L26 HydrophobicContact CH2-CB 4.08Å; W13-L26 HydrophobicContact CH2-CD1 3.95Å; W13-L26 HydrophobicContact CH2-CD2 4.07Å; W13-L26 HydrophobicContact CH2-CG 4.26Å; W13-L26 HydrophobicContact CZ2-CB 4.35Å; W13-L26 HydrophobicContact CZ3-CD1 4.22Å; W13-V29 HydrophobicContact CZ2-CB 3.94Å; W13-V29 HydrophobicContact CZ2-CG1 3.91Å; W13-V29 HydrophobicContact CZ2-CG2 4.49Å; W13-V55 HydrophobicContact CH2-CG2 4.12Å; W13-Y66 HydrophobicContact CD2-CE1 4.09Å; W13-Y66 AromaticContact CE2-CE1 3.9Å; W13-Y66 HydrophobicContact CE3-CE1 4.25Å; W13-Y66 HydrophobicContact CH2-CD1 4.38Å; W13-Y66 HydrophobicContact CH2-CE1 4.09Å; W13-Y66 HydrophobicContact CZ2-CD1 4.27Å; W13-Y66 AromaticContact CZ2-CE1 3.91Å; W13-Y66 HydrophobicContact CZ2-CE1 3.91Å; W13-Y66 HydrophobicContact CZ3-CE1 4.26Å; W13-F137 HydrophobicContact CE3-CD1 4.34Å; W13-F137 HydrophobicContact CH2-CD1 4.14Å; W13-F137 AromaticContact CH2-CE1 3.78Å; W13-F137 HydrophobicContact CH2-CE1 3.78Å; W13-F137 AromaticContact CZ3-CD1 3.68Å; W13-F137 HydrophobicContact CZ3-CD1 3.68Å; W13-F137 AromaticContact CZ3-CE1 3.55Å; W13-F137 HydrophobicContact CZ3-CE1 3.55Å; W13-M140 HydrophobicContact CB-SD 3.71Å
14A86.6Confident83.8Confident0 Ų075.3 Ų75.30%038%0.375CS..G310 helixtrans-61.3-12.918000000114.3L9 H12 C16 V17 A23 L26L9-A14 HydrophobicContact CD1-CB 4.12Å; H12-A14 VanDerWaalsContact ND1-CB 3.26Å; H12-A14 WeakPolarHBondContact ND1-CB 3.23Å; H12-A14 PolarHBondContact ND1-N 2.86Å; H12-A14 PolarHBondContact O-N 2.79Å; A14-C16 PolarHBondContact O-N 3.36Å; A14-C16 VanDerWaalsContact O-N 3.16Å; A14-V17 WeakPolarHBondContact O-CB 3.39Å; A14-V17 PolarHBondContact O-N 3.42Å; A14-V17 VanDerWaalsContact O-N 3.09Å; A14-A23 WeakPolarHBondContact CB-O 3.45Å; A14-A23 WeakPolarHBondContact O-CB 3.49Å; A14-L26 HydrophobicContact CB-CB 3.71Å
15R83.2Confident84.1Confident157 Ų15774.9 Ų74.959%0.59237%0.365SS*.G310 helixtrans-58.3-24.7173.973.2-169.6-174.4166.93.6113.9L9 N10 H12 W13 V17L9-R15 HydrophobicContact CD1-CB 4.46Å; L9-R15 HydrophobicContact CG-CB 4.4Å; L9-R15 WeakPolarHBondContact O-CB 3.14Å; N10-R15 VanDerWaalsContact O-CD 3.31Å; N10-R15 WeakPolarHBondContact O-CD 3.33Å; N10-R15 PolarHBondContact O-NH1 3.36Å; H12-R15 WeakPolarHBondContact O-CB 3.42Å; H12-R15 WeakPolarHBondContact O-CD 3.35Å; H12-R15 VanDerWaalsContact O-CG 3.28Å; H12-R15 WeakPolarHBondContact O-CG 3.22Å; H12-R15 PolarHBondContact O-N 2.78Å; W13-R15 PolarHBondContact O-N 3.04Å; R15-V17 PolarHBondContact O-N 3.07Å
16C81.9Confident84.8Confident40 Ų4071.8 Ų71.827%0.2735%0.349SS..G310 helixtrans-79.4-6.2-179.4-59.30000112.7W13 A14 V136 Q139W13-C16 PolarHBondContact O-N 2.87Å; A14-C16 PolarHBondContact O-N 3.36Å; A14-C16 VanDerWaalsContact O-N 3.16Å; C16-V136 HydrophobicContact CB-CG1 3.96Å; C16-Q139 PolarHBondContact SG-OE1 3.23Å
17V84.6Confident85.1Confident8 Ų869.8 Ų69.85%0.04834%0.34CS..  trans-80.5122.6177.6177.90000109.3W13 A14 R15 D19 L22 A23 L26 V136W13-V17 HydrophobicContact CZ3-CG2 4.49Å; A14-V17 WeakPolarHBondContact O-CB 3.39Å; A14-V17 PolarHBondContact O-N 3.42Å; A14-V17 VanDerWaalsContact O-N 3.09Å; R15-V17 PolarHBondContact O-N 3.07Å; V17-D19 VanDerWaalsContact C-N 3.32Å; V17-D19 PolarHBondContact O-N 3.05Å; V17-L22 HydrophobicContact CG1-CB 4.29Å; V17-L22 HydrophobicContact CG1-CD2 3.74Å; V17-L22 HydrophobicContact CG1-CG 4.06Å; V17-A23 HydrophobicContact CB-CB 4.11Å; V17-L26 HydrophobicContact CG1-CD1 4.47Å; V17-L26 HydrophobicContact CG2-CD1 3.76Å; V17-V136 HydrophobicContact CG2-CG1 3.77Å
18P80.2Confident85.2Confident112 Ų11268.4 Ų68.473%0.72733%0.331SS*.SBendtrans-61.5-37.1-175.7-25.233.7000114K20P18-K20 PolarHBondContact O-N 3.27Å
19D84.8Confident85.5Confident80 Ų8061.9 Ų61.943%0.42830%0.302SS..  trans-77.7107.2176.1-178.5-7.3000110.4V17 R21 L22 A23V17-D19 VanDerWaalsContact C-N 3.32Å; V17-D19 PolarHBondContact O-N 3.05Å; D19-R21 VanDerWaalsContact C-N 3.26Å; D19-R21 PolarHBondContact O-N 3.34Å; D19-R21 WeakPolarHBondContact OD1-CB 3.39Å; D19-R21 PolarHBondContact OD1-N 3.09Å; D19-L22 HydrophobicContact CB-CB 3.95Å; D19-L22 PolarHBondContact O-N 3.28Å; D19-L22 PolarHBondContact OD1-N 3.41Å; D19-A23 WeakPolarHBondContact O-CB 3.41Å; D19-A23 PolarHBondContact O-N 2.93Å
20K85.1Confident85.5Confident156 Ų15664.5 Ų64.568%0.67832%0.319SS*.Hα-helixtrans-59.3-32.3178.9-66.6-175.5-179.91790113.3P18 I24P18-K20 PolarHBondContact O-N 3.27Å; K20-I24 WeakPolarHBondContact O-CD1 3.36Å; K20-I24 VanDerWaalsContact O-CG1 3.23Å; K20-I24 WeakPolarHBondContact O-CG1 3.23Å; K20-I24 PolarHBondContact O-N 2.89Å; K20-I24 VanDerWaalsContact O-N 3.15Å
21R86.5Confident85.5Confident207 Ų20762.9 Ų62.978%0.78131%0.313SS*.Hα-helixtrans-70.2-45.6179.2-69.5-177.6174.1-179.1-0.9110.2D19 I24 Q25D19-R21 VanDerWaalsContact C-N 3.26Å; D19-R21 PolarHBondContact O-N 3.34Å; D19-R21 WeakPolarHBondContact OD1-CB 3.39Å; D19-R21 PolarHBondContact OD1-N 3.09Å; R21-I24 PolarHBondContact O-N 3.16Å; R21-Q25 PolarHBondContact O-N 3.08Å
22L87.2Confident85.7Confident9 Ų958.8 Ų58.85%0.04728%0.278CS..Hα-helixtrans-63.7-43.7174.4178.263.5000111.5V17 D19 I24 Q25 L26 F130V17-L22 HydrophobicContact CG1-CB 4.29Å; V17-L22 HydrophobicContact CG1-CD2 3.74Å; V17-L22 HydrophobicContact CG1-CG 4.06Å; D19-L22 HydrophobicContact CB-CB 3.95Å; D19-L22 PolarHBondContact O-N 3.28Å; D19-L22 PolarHBondContact OD1-N 3.41Å; L22-I24 PolarHBondContact O-N 3.3Å; L22-Q25 WeakPolarHBondContact O-CA 3.41Å; L22-Q25 WeakPolarHBondContact O-CB 3.35Å; L22-Q25 PolarHBondContact O-N 2.96Å; L22-L26 HydrophobicContact CD1-CD1 4.22Å; L22-L26 HydrophobicContact CD1-CG 4.17Å; L22-L26 HydrophobicContact CD2-CD1 4.42Å; L22-L26 HydrophobicContact CG-CD1 3.88Å; L22-L26 HydrophobicContact CG-CG 4.26Å; L22-L26 WeakPolarHBondContact O-CG 3.36Å; L22-L26 PolarHBondContact O-N 2.8Å; L22-F130 HydrophobicContact CD1-CB 4.16Å; L22-F130 HydrophobicContact CD1-CD1 3.86Å; L22-F130 HydrophobicContact CD1-CE1 4.38Å; L22-F130 HydrophobicContact CD1-CG 4Å; L22-F130 HydrophobicContact CD2-CB 3.47Å; L22-F130 VanDerWaalsContact CD2-CB 3.47Å; L22-F130 HydrophobicContact CD2-CD1 4.2Å; L22-F130 HydrophobicContact CD2-CD2 3.54Å; L22-F130 HydrophobicContact CD2-CE2 4.24Å; L22-F130 HydrophobicContact CD2-CG 3.49Å; L22-F130 VanDerWaalsContact CD2-CG 3.49Å; L22-F130 HydrophobicContact CG-CB 4.47Å; L22-F130 HydrophobicContact CG-CG 4.37Å
23A87.7Confident85.6Confident1 Ų157 Ų571%0.00827%0.27CS..Hα-helixtrans-54.9-40.5177.200000112L9 A14 V17 D19 L26 L27L9-A23 HydrophobicContact CD1-CB 4.01Å; L9-A23 HydrophobicContact CD2-CB 4.29Å; A14-A23 WeakPolarHBondContact CB-O 3.45Å; A14-A23 WeakPolarHBondContact O-CB 3.49Å; V17-A23 HydrophobicContact CB-CB 4.11Å; D19-A23 WeakPolarHBondContact O-CB 3.41Å; D19-A23 PolarHBondContact O-N 2.93Å; A23-L26 PolarHBondContact O-N 3.42Å; A23-L27 PolarHBondContact O-N 3.1Å
24I88.1Confident85.1Confident60 Ų6060.8 Ų60.831%0.30829%0.287SS..Hα-helixtrans-65.9-39.8174.7-69164.4000111.7M1 K20 R21 L22 L26 L27M1-I24 HydrophobicContact CE-CD1 4.1Å; M1-I24 HydrophobicContact CE-CG1 3.92Å; M1-I24 HydrophobicContact CG-CD1 4.35Å; M1-I24 HydrophobicContact SD-CD1 3.88Å; M1-I24 HydrophobicContact SD-CG1 4.35Å; K20-I24 WeakPolarHBondContact O-CD1 3.36Å; K20-I24 VanDerWaalsContact O-CG1 3.23Å; K20-I24 WeakPolarHBondContact O-CG1 3.23Å; K20-I24 PolarHBondContact O-N 2.89Å; K20-I24 VanDerWaalsContact O-N 3.15Å; R21-I24 PolarHBondContact O-N 3.16Å; L22-I24 PolarHBondContact O-N 3.3Å; I24-L26 VanDerWaalsContact C-N 3.34Å; I24-L27 VanDerWaalsContact O-CB 3.29Å; I24-L27 WeakPolarHBondContact O-CB 3.46Å; I24-L27 WeakPolarHBondContact O-CG 3.22Å; I24-L27 PolarHBondContact O-N 3.1Å
25Q87.8Confident84.4Confident64 Ų6465.4 Ų65.430%0.29931%0.31SS..Hα-helixtrans-66.9-38.2176.5-65.8-167.512.300112R21 L22 L27 R28 L100 Q128R21-Q25 PolarHBondContact O-N 3.08Å; L22-Q25 WeakPolarHBondContact O-CA 3.41Å; L22-Q25 WeakPolarHBondContact O-CB 3.35Å; L22-Q25 PolarHBondContact O-N 2.96Å; Q25-L27 PolarHBondContact O-N 3.13Å; Q25-R28 WeakPolarHBondContact O-CB 3.25Å; Q25-R28 WeakPolarHBondContact O-CG 3.35Å; Q25-R28 PolarHBondContact O-N 3.24Å; Q25-R28 VanDerWaalsContact O-N 3.1Å; Q25-L100 HydrophobicContact CB-CD2 4.04Å; Q25-Q128 VanDerWaalsContact CD-OE1 3.27Å
26L90.2Very high83.7Confident0 Ų058.8 Ų58.80%029%0.289CS..Hα-helixtrans-68.8-11.6177.9-69.6173000113.4H12 W13 A14 V17 L22 A23 I24 R28 V29 V55 L100 F130H12-L26 PolarHBondContact CE1-O 3.4Å; H12-L26 VanDerWaalsContact CE1-O 3.27Å; W13-L26 HydrophobicContact CH2-CB 4.08Å; W13-L26 HydrophobicContact CH2-CD1 3.95Å; W13-L26 HydrophobicContact CH2-CD2 4.07Å; W13-L26 HydrophobicContact CH2-CG 4.26Å; W13-L26 HydrophobicContact CZ2-CB 4.35Å; W13-L26 HydrophobicContact CZ3-CD1 4.22Å; A14-L26 HydrophobicContact CB-CB 3.71Å; V17-L26 HydrophobicContact CG1-CD1 4.47Å; V17-L26 HydrophobicContact CG2-CD1 3.76Å; L22-L26 HydrophobicContact CD1-CD1 4.22Å; L22-L26 HydrophobicContact CD1-CG 4.17Å; L22-L26 HydrophobicContact CD2-CD1 4.42Å; L22-L26 HydrophobicContact CG-CD1 3.88Å; L22-L26 HydrophobicContact CG-CG 4.26Å; L22-L26 WeakPolarHBondContact O-CG 3.36Å; L22-L26 PolarHBondContact O-N 2.8Å; A23-L26 PolarHBondContact O-N 3.42Å; I24-L26 VanDerWaalsContact C-N 3.34Å; L26-R28 PolarHBondContact O-N 3.44Å; L26-R28 VanDerWaalsContact O-N 3.14Å; L26-V29 HydrophobicContact CD2-CG2 4Å; L26-V29 WeakPolarHBondContact O-CB 3.48Å; L26-V29 PolarHBondContact O-N 3.48Å; L26-V55 HydrophobicContact CD2-CG2 3.77Å; L26-L100 HydrophobicContact CD2-CD1 4.07Å; L26-L100 HydrophobicContact CD2-CD2 4.49Å; L26-F130 HydrophobicContact CD1-CZ 4.42Å; L26-F130 HydrophobicContact CD2-CE1 4.35Å; L26-F130 HydrophobicContact CD2-CZ 4.28Å
27L88.6Confident82.9Confident34 Ų3457.6 Ų57.618%0.17828%0.281CS..THydrogen-bonded Turntrans-60-18.1166.9-65.7176.3000113.3L5 L9 H12 A23 I24 Q25 V29L5-L27 HydrophobicContact CD2-CD1 4.41Å; L9-L27 HydrophobicContact CB-CD1 4.45Å; L9-L27 HydrophobicContact CB-CD2 4.35Å; L9-L27 HydrophobicContact CD1-CD2 3.84Å; L9-L27 HydrophobicContact CD1-CG 4.29Å; H12-L27 HydrophobicContact CB-CD2 3.56Å; A23-L27 PolarHBondContact O-N 3.1Å; I24-L27 VanDerWaalsContact O-CB 3.29Å; I24-L27 WeakPolarHBondContact O-CB 3.46Å; I24-L27 WeakPolarHBondContact O-CG 3.22Å; I24-L27 PolarHBondContact O-N 3.1Å; Q25-L27 PolarHBondContact O-N 3.13Å; L27-V29 VanDerWaalsContact C-N 3.32Å
28R88.1Confident81.8Confident137 Ų13767 Ų6752%0.51732%0.315SS..THydrogen-bonded Turntrans-76.7-20.4175.5-63.1177.8176.1177.2-2.3112.9Q25 L26 T30 F53Q25-R28 WeakPolarHBondContact O-CB 3.25Å; Q25-R28 WeakPolarHBondContact O-CG 3.35Å; Q25-R28 PolarHBondContact O-N 3.24Å; Q25-R28 VanDerWaalsContact O-N 3.1Å; L26-R28 PolarHBondContact O-N 3.44Å; L26-R28 VanDerWaalsContact O-N 3.14Å; R28-T30 PolarHBondContact O-N 3.37Å; R28-T30 VanDerWaalsContact O-N 3.14Å; R28-F53 HydrophobicContact CB-CB 4.19Å; R28-F53 HydrophobicContact CB-CD1 4.2Å; R28-F53 HydrophobicContact CB-CD2 3.96Å; R28-F53 HydrophobicContact CB-CE2 4.43Å; R28-F53 HydrophobicContact CB-CG 3.86Å
29V89.8Confident80.3Confident0 Ų064.8 Ų64.80%030%0.303CS..  trans-77.4100.4-179.8177.50000108.2H12 W13 L26 L27 F53 V55 D67 L100H12-V29 PolarHBondContact NE2-O 3.4Å; W13-V29 HydrophobicContact CZ2-CB 3.94Å; W13-V29 HydrophobicContact CZ2-CG1 3.91Å; W13-V29 HydrophobicContact CZ2-CG2 4.49Å; L26-V29 HydrophobicContact CD2-CG2 4Å; L26-V29 WeakPolarHBondContact O-CB 3.48Å; L26-V29 PolarHBondContact O-N 3.48Å; L27-V29 VanDerWaalsContact C-N 3.32Å; V29-F53 HydrophobicContact CG2-CB 4.08Å; V29-V55 HydrophobicContact CG2-CG2 4.3Å; V29-D67 VanDerWaalsContact CG1-C 3.44Å; V29-L100 HydrophobicContact CG2-CD1 3.51Å
30T82.5Confident78.3Confident66 Ų6666.6 Ų66.641%0.40532%0.317SS..  trans-111.1143.6-178.754.20000110.7R28 F32 D67R28-T30 PolarHBondContact O-N 3.37Å; R28-T30 VanDerWaalsContact O-N 3.14Å; T30-F32 PolarHBondContact O-N 3.48Å; T30-D67 CarbonylContact C-O 3.59Å
31P84.2Confident76.1Confident50 Ų5068.8 Ų68.833%0.32533%0.332SS..  trans-56130.7179-26.335.4000111M35 D67 N69P31-M35 WeakPolarHBondContact O-CE 3.34Å; P31-D67 VanDerWaalsContact CA-O 3.31Å; P31-D67 WeakPolarHBondContact CA-O 3.44Å; P31-D67 VanDerWaalsContact CA-OD2 3.31Å; P31-D67 WeakPolarHBondContact CA-OD2 3.48Å; P31-N69 HydrophobicContact CB-CB 4.24Å; P31-N69 VanDerWaalsContact CB-ND2 3.32Å; P31-N69 WeakPolarHBondContact CB-ND2 3.43Å; P31-N69 HydrophobicContact CG-CB 4.16Å; P31-N69 WeakPolarHBondContact CG-ND2 3.45Å; P31-N69 WeakPolarHBondContact CG-OD1 3.35Å
32F85.4Confident73.6Confident2 Ų262.4 Ų62.41%0.00933%0.331CS..  trans-143-18.4179.275.5-86000112.9T30 F34 M35 A36 V49 P52 A54 I65 D67 I103 Y106 I108T30-F32 PolarHBondContact O-N 3.48Å; F32-F34 PolarHBondContact O-N 3Å; F32-M35 HydrophobicContact CB-CE 4.29Å; F32-M35 PolarHBondContact O-N 2.96Å; F32-M35 VanDerWaalsContact O-N 3.09Å; F32-A36 WeakPolarHBondContact O-CB 3.49Å; F32-A36 PolarHBondContact O-N 2.83Å; F32-V49 HydrophobicContact CB-CB 4.46Å; F32-V49 HydrophobicContact CB-CG2 4.07Å; F32-P52 HydrophobicContact CB-CB 4.3Å; F32-P52 HydrophobicContact CD1-CB 3.56Å; F32-P52 HydrophobicContact CD1-CG 4.12Å; F32-P52 HydrophobicContact CD2-CB 3.98Å; F32-P52 HydrophobicContact CD2-CG 3.75Å; F32-P52 HydrophobicContact CE1-CB 3.8Å; F32-P52 HydrophobicContact CE1-CG 4.04Å; F32-P52 HydrophobicContact CE2-CB 4.18Å; F32-P52 HydrophobicContact CE2-CG 3.64Å; F32-P52 HydrophobicContact CG-CB 3.68Å; F32-P52 HydrophobicContact CG-CG 4Å; F32-P52 HydrophobicContact CZ-CB 4.11Å; F32-P52 HydrophobicContact CZ-CG 3.81Å; F32-A54 HydrophobicContact CE1-CB 4.1Å; F32-A54 HydrophobicContact CZ-CB 4.47Å; F32-I65 HydrophobicContact CZ-CD1 4.24Å; F32-D67 HydrophobicContact CD1-CB 3.48Å; F32-D67 VanDerWaalsContact CD1-CB 3.48Å; F32-D67 HydrophobicContact CE1-CB 3.54Å; F32-D67 HydrophobicContact CG-CB 4.45Å; F32-D67 PolarHBondContact N-OD2 3.45Å; F32-I103 HydrophobicContact CZ-CD1 3.81Å; F32-Y106 AromaticContact CD2-CE2 3.82Å; F32-Y106 HydrophobicContact CD2-CE2 3.82Å; F32-Y106 AromaticContact CD2-CZ 3.88Å; F32-Y106 HydrophobicContact CE2-CD2 4.12Å; F32-Y106 AromaticContact CE2-CE2 3.51Å; F32-Y106 HydrophobicContact CE2-CE2 3.51Å; F32-Y106 AromaticContact CE2-CZ 3.85Å; F32-I108 HydrophobicContact CD2-CD1 4.25Å; F32-I108 HydrophobicContact CE2-CD1 3.81Å
33I81.9Confident71Confident0 Ų066.5 Ų66.50%036%0.36CS..Hα-helixtrans-61.5-47.4-171-70.9165.5000111.6M35 A36 S37 D67 L70 I72 I108 H117I33-M35 VanDerWaalsContact C-N 3.3Å; I33-M35 PolarHBondContact O-N 3.06Å; I33-A36 PolarHBondContact O-N 2.82Å; I33-S37 WeakPolarHBondContact O-CB 3.42Å; I33-S37 PolarHBondContact O-N 3.14Å; I33-S37 PolarHBondContact O-OG 3.46Å; I33-D67 WeakPolarHBondContact CB-OD2 3.48Å; I33-D67 HydrophobicContact CD1-CB 3.7Å; I33-D67 HydrophobicContact CG1-CB 3.88Å; I33-D67 WeakPolarHBondContact CG1-OD2 3.26Å; I33-D67 PolarHBondContact N-OD2 3.16Å; I33-L70 HydrophobicContact CD1-CB 4.47Å; I33-L70 WeakPolarHBondContact CD1-O 3.27Å; I33-L70 HydrophobicContact CG2-CD2 4.04Å; I33-I72 HydrophobicContact CB-CD1 4.48Å; I33-I72 HydrophobicContact CD1-CB 4.49Å; I33-I72 HydrophobicContact CD1-CD1 3.79Å; I33-I72 HydrophobicContact CD1-CG1 3.74Å; I33-I72 HydrophobicContact CD1-CG2 4.08Å; I33-I72 HydrophobicContact CG1-CD1 3.88Å; I33-I72 HydrophobicContact CG1-CG1 4.4Å; I33-I72 HydrophobicContact CG2-CD1 3.79Å; I33-I72 HydrophobicContact CG2-CG2 3.93Å; I33-I108 HydrophobicContact CB-CD1 4.15Å; I33-I108 HydrophobicContact CG1-CD1 3.95Å; I33-I108 HydrophobicContact CG2-CD1 4.17Å; I33-I108 HydrophobicContact CG2-CG2 4.41Å; I33-H117 HydrophobicContact CG2-CB 4.14Å
34F73.1Confident68.3Low94 Ų9473.4 Ų73.441%0.41240%0.396SS..Hα-helixtrans-69.5-26.9178.4-75.2-66.9000113.2F32 S37 R38 L70 H117F32-F34 PolarHBondContact O-N 3Å; F34-S37 PolarHBondContact O-OG 3.33Å; F34-R38 WeakPolarHBondContact O-CB 3.44Å; F34-R38 VanDerWaalsContact O-CG 3.31Å; F34-R38 WeakPolarHBondContact O-CG 3.48Å; F34-R38 PolarHBondContact O-N 3.26Å; F34-L70 HydrophobicContact CE1-CD2 4.26Å; F34-L70 HydrophobicContact CE2-CB 4.19Å; F34-L70 HydrophobicContact CE2-CD2 3.84Å; F34-L70 HydrophobicContact CZ-CD2 3.69Å; F34-H117 AromaticContact CD1-CE1 3.81Å; F34-H117 AromaticContact CE1-CE1 3.61Å
35M72.5Confident65.8Low97 Ų9777.8 Ų77.848%0.47842%0.419SS..Hα-helixtrans-73.1-46.6176.1-68.2-171.2-67.400110.2P31 F32 I33 S37 R38 S39 V49P31-M35 WeakPolarHBondContact O-CE 3.34Å; F32-M35 HydrophobicContact CB-CE 4.29Å; F32-M35 PolarHBondContact O-N 2.96Å; F32-M35 VanDerWaalsContact O-N 3.09Å; I33-M35 VanDerWaalsContact C-N 3.3Å; I33-M35 PolarHBondContact O-N 3.06Å; M35-S37 VanDerWaalsContact C-N 3.3Å; M35-S37 PolarHBondContact O-N 2.98Å; M35-R38 PolarHBondContact O-N 3.17Å; M35-S39 PolarHBondContact O-N 3.19Å; M35-S39 VanDerWaalsContact O-N 3.1Å; M35-S39 PolarHBondContact O-OG 3.24Å; M35-V49 HydrophobicContact CE-CG2 4.27Å
36A67.6Low63.4Low17 Ų1779.6 Ų79.614%0.1444%0.438CS..Hα-helixtrans-69.5-22.3178.100000113.8F32 I33 S39 Y106 I108F32-A36 WeakPolarHBondContact O-CB 3.49Å; F32-A36 PolarHBondContact O-N 2.83Å; I33-A36 PolarHBondContact O-N 2.82Å; A36-S39 WeakPolarHBondContact CA-OG 3.48Å; A36-S39 PolarHBondContact O-OG 2.84Å; A36-Y106 HydrophobicContact CB-CE2 3.91Å; A36-I108 HydrophobicContact CB-CB 4.34Å; A36-I108 HydrophobicContact CB-CD1 3.95Å; A36-I108 HydrophobicContact CB-CG1 4.23Å
37S65.8Low61Low15 Ų1584 Ų8411%0.10547%0.468CS..Hα-helixtrans-84.8-29.217470.10000113.9I33 F34 M35 H117I33-S37 WeakPolarHBondContact O-CB 3.42Å; I33-S37 PolarHBondContact O-N 3.14Å; I33-S37 PolarHBondContact O-OG 3.46Å; F34-S37 PolarHBondContact O-OG 3.33Å; M35-S37 VanDerWaalsContact C-N 3.3Å; M35-S37 PolarHBondContact O-N 2.98Å; S37-H117 WeakPolarHBondContact CB-CD2 3.43Å; S37-H117 VanDerWaalsContact CB-NE2 3.31Å; S37-H117 WeakPolarHBondContact CB-NE2 3.18Å; S37-H117 PolarHBondContact OG-CD2 2.94Å; S37-H117 VanDerWaalsContact OG-CD2 3.28Å; S37-H117 PolarHBondContact OG-NE2 3.12Å
38R60Low59.2Low205 Ų20586.8 Ų86.877%0.77448%0.483SS*.Hα-helixtrans-85-12.1176.3-71.2-176.1175.9-164-0.1113.4F34 M35 T40F34-R38 WeakPolarHBondContact O-CB 3.44Å; F34-R38 VanDerWaalsContact O-CG 3.31Å; F34-R38 WeakPolarHBondContact O-CG 3.48Å; F34-R38 PolarHBondContact O-N 3.26Å; M35-R38 PolarHBondContact O-N 3.17Å; R38-T40 PolarHBondContact O-N 3.22Å
39S49Very low57.8Low67 Ų6782.3 Ų82.347%0.46947%0.471SS..  trans-73.823.7176.957.50000113.8M35 A36 M41M35-S39 PolarHBondContact O-N 3.19Å; M35-S39 VanDerWaalsContact O-N 3.1Å; M35-S39 PolarHBondContact O-OG 3.24Å; A36-S39 WeakPolarHBondContact CA-OG 3.48Å; A36-S39 PolarHBondContact O-OG 2.84Å; S39-M41 PolarHBondContact O-N 3.14Å
40T42.2Very low56.6Low118 Ų11890 Ų9072%0.72451%0.506SS*.  trans-56.195.217438.10000112.1R38 G42R38-T40 PolarHBondContact O-N 3.22Å; T40-G42 VanDerWaalsContact C-N 3.34Å; T40-G42 PolarHBondContact O-N 3.38Å
41M39.3Very low56.7Low201 Ų20190 Ų9099%0.9950%0.502SS*.SBendtrans60.3-6.2140.8-141158157.600121.4S39S39-M41 PolarHBondContact O-N 3.14Å
42G34Very low57Low74 Ų7487.6 Ų87.676%0.76349%0.487SS*.SBendtrans-127.7-22.6-171.900000118T40T40-G42 VanDerWaalsContact C-N 3.34Å; T40-G42 PolarHBondContact O-N 3.38Å
43S33.2Very low57.3Low95 Ų9589.6 Ų89.666%0.66450%0.495SS*.SBendtrans-157119.4-157.7-177.30000111.6
44L30.5Very low57.8Low146 Ų14689.6 Ų89.676%0.76450%0.495SS*.SBendtrans68.9113.1152.6-62.7163.7000116.1
45L36.8Very low58.7Low151 Ų15185.1 Ų85.179%0.79148%0.476SS*.  trans66.876.7146.8-53167.2000112.5C47L45-C47 PolarHBondContact O-N 2.6Å
46C36Very low59.6Low103 Ų10380.5 Ų80.570%0.69645%0.453SS*.  trans-47.677.1154.6-174.30000110.3D48C46-D48 PolarHBondContact O-N 3.34Å; C46-D48 VanDerWaalsContact SG-CB 3.58Å; C46-D48 PolarHBondContact SG-OD2 3.15Å
47C41.1Very low60.6Low92 Ų9279.8 Ų79.862%0.62245%0.447SS*.  trans-83.858145.3-64.50000105.5L45 V49L45-C47 PolarHBondContact O-N 2.6Å; C47-V49 PolarHBondContact O-N 3.19Å
48D49.3Very low61.4Low92 Ų9281 Ų8149%0.49245%0.454SS..  trans-55.6105148.2-77.1-19.2000102.5C46 E50C46-D48 PolarHBondContact O-N 3.34Å; C46-D48 VanDerWaalsContact SG-CB 3.58Å; C46-D48 PolarHBondContact SG-OD2 3.15Å; D48-E50 PolarHBondContact O-N 3.15Å
49V59.1Low61.7Low43 Ų4372.7 Ų72.726%0.26143%0.427SS..  trans-62.693.9159.1-174.40000101F32 M35 C47 E51 P52 Y106F32-V49 HydrophobicContact CB-CB 4.46Å; F32-V49 HydrophobicContact CB-CG2 4.07Å; M35-V49 HydrophobicContact CE-CG2 4.27Å; C47-V49 PolarHBondContact O-N 3.19Å; V49-E51 PolarHBondContact O-N 2.86Å; V49-P52 HydrophobicContact CB-CB 4.09Å; V49-P52 HydrophobicContact CG1-CB 3.65Å; V49-P52 HydrophobicContact CG1-CG 4.49Å; V49-P52 VanDerWaalsContact O-CD 3.24Å; V49-P52 WeakPolarHBondContact O-CD 3.31Å; V49-Y106 PolarHBondContact O-OH 2.87Å
50E66.1Low62.5Low161 Ų16175.9 Ų75.975%0.75244%0.439SS*.SBendtrans-52.1-39.8-165.2-76.4-171.4151.500109.2D48D48-E50 PolarHBondContact O-N 3.15Å
51E83.4Confident63.7Low66 Ų6678.2 Ų78.231%0.30844%0.442SS..SBendtrans-140.377.9-177.9-58.2-179.4144.200111.6V49 R102 I103 L104V49-E51 PolarHBondContact O-N 2.86Å; E51-R102 HydrophobicContact CB-CG 3.88Å; E51-R102 IonicContact OE2-CZ 3.15Å; E51-R102 IonicContact OE2-NE 2.78Å; E51-R102 PolarHBondContact OE2-NE 3.22Å; E51-R102 IonicContact OE2-NH1 3.75Å; E51-R102 IonicContact OE2-NH2 3.33Å; E51-R102 PolarHBondContact OE2-NH2 2.96Å; E51-I103 CarbonylContact C-O 3.6Å; E51-I103 WeakPolarHBondContact CA-O 3.45Å; E51-I103 WeakPolarHBondContact CB-O 3.29Å; E51-L104 HydrophobicContact CG-CD2 4.21Å; E51-L104 VanDerWaalsContact OE1-CD2 3.3Å; E51-L104 WeakPolarHBondContact OE1-CD2 3.37Å
52P90.2Very high65.5Low1 Ų173.5 Ų73.51%0.00641%0.414CS..  trans-72.3149.4-174.428.8-26.9000110.7F32 V49 I103 Y106F32-P52 HydrophobicContact CB-CB 4.3Å; F32-P52 HydrophobicContact CD1-CB 3.56Å; F32-P52 HydrophobicContact CD1-CG 4.12Å; F32-P52 HydrophobicContact CD2-CB 3.98Å; F32-P52 HydrophobicContact CD2-CG 3.75Å; F32-P52 HydrophobicContact CE1-CB 3.8Å; F32-P52 HydrophobicContact CE1-CG 4.04Å; F32-P52 HydrophobicContact CE2-CB 4.18Å; F32-P52 HydrophobicContact CE2-CG 3.64Å; F32-P52 HydrophobicContact CG-CB 3.68Å; F32-P52 HydrophobicContact CG-CG 4Å; F32-P52 HydrophobicContact CZ-CB 4.11Å; F32-P52 HydrophobicContact CZ-CG 3.81Å; V49-P52 HydrophobicContact CB-CB 4.09Å; V49-P52 HydrophobicContact CG1-CB 3.65Å; V49-P52 HydrophobicContact CG1-CG 4.49Å; V49-P52 VanDerWaalsContact O-CD 3.24Å; V49-P52 WeakPolarHBondContact O-CD 3.31Å; P52-I103 HydrophobicContact CG-CB 4.18Å; P52-I103 PolarHBondContact O-N 3.37Å; P52-Y106 HydrophobicContact CG-CD1 4.48Å; P52-Y106 HydrophobicContact CG-CE1 3.76Å
53F92.4Very high68Low43 Ų4370.6 Ų70.619%0.18938%0.381CS..EExtended strand (participates in β ladder)trans-89.4132.1169.9-63.9-99.3000109.2R28 V29 L100 I101 R102 I127R28-F53 HydrophobicContact CB-CB 4.19Å; R28-F53 HydrophobicContact CB-CD1 4.2Å; R28-F53 HydrophobicContact CB-CD2 3.96Å; R28-F53 HydrophobicContact CB-CE2 4.43Å; R28-F53 HydrophobicContact CB-CG 3.86Å; V29-F53 HydrophobicContact CG2-CB 4.08Å; F53-L100 HydrophobicContact CB-CD1 4.3Å; F53-L100 HydrophobicContact CD1-CD1 4.45Å; F53-I101 CarbonylContact C-O 3.55Å; F53-I101 VanDerWaalsContact CA-O 3.31Å; F53-I101 WeakPolarHBondContact CA-O 3.38Å; F53-R102 HydrophobicContact CD1-CB 4.27Å; F53-R102 HydrophobicContact CE1-CB 4.17Å; F53-I127 HydrophobicContact CD1-CD1 3.37Å; F53-I127 HydrophobicContact CE1-CD1 3.28Å
54A92.4Very high70.6Confident0 Ų067.4 Ų67.40%036%0.355CS..EExtended strand (participates in β ladder)trans-136.9159.1178.200000110.4F32 I65 Y66 I101 I103F32-A54 HydrophobicContact CE1-CB 4.1Å; F32-A54 HydrophobicContact CZ-CB 4.47Å; A54-I65 HydrophobicContact CB-CB 4.45Å; A54-Y66 CarbonylContact C-O 3.57Å; A54-Y66 VanDerWaalsContact CA-O 3.29Å; A54-Y66 WeakPolarHBondContact CA-O 3.37Å; A54-Y66 WeakPolarHBondContact CB-O 3.34Å; A54-I101 HydrophobicContact CB-CD1 4.47Å; A54-I101 HydrophobicContact CB-CG1 4.11Å; A54-I101 PolarHBondContact N-O 2.87Å; A54-I101 VanDerWaalsContact O-CG1 3.31Å; A54-I101 WeakPolarHBondContact O-CG1 3.47Å; A54-I101 PolarHBondContact O-N 2.98Å; A54-I103 HydrophobicContact CB-CD1 3.95Å
55V92.6Very high73.4Confident0 Ų060.5 Ų60.50%032%0.318CS..EExtended strand (participates in β ladder)trans-94.3125.9166.5-179.20000108.7W13 L26 V29 I65 Y66 W71 F98 W99 F130 F137W13-V55 HydrophobicContact CH2-CG2 4.12Å; L26-V55 HydrophobicContact CD2-CG2 3.77Å; V29-V55 HydrophobicContact CG2-CG2 4.3Å; V55-I65 CarbonylContact O-C 3.48Å; V55-I65 VanDerWaalsContact O-CA 3.27Å; V55-I65 WeakPolarHBondContact O-CA 3.28Å; V55-Y66 HydrophobicContact CB-CD1 4.48Å; V55-Y66 HydrophobicContact CG2-CD1 4.5Å; V55-Y66 PolarHBondContact N-O 3.33Å; V55-Y66 PolarHBondContact O-N 3.42Å; V55-W71 HydrophobicContact CB-CH2 4.41Å; V55-W71 HydrophobicContact CG1-CH2 4.09Å; V55-F98 HydrophobicContact CG1-CB 3.87Å; V55-F98 HydrophobicContact CG1-CD1 3.92Å; V55-F98 HydrophobicContact CG1-CG 4.24Å; V55-W99 CarbonylContact C-O 3.57Å; V55-W99 WeakPolarHBondContact CA-O 3.31Å; V55-F130 HydrophobicContact CG1-CE1 4.32Å; V55-F130 HydrophobicContact CG1-CZ 3.72Å; V55-F130 HydrophobicContact CG2-CZ 4.19Å; V55-F137 HydrophobicContact CB-CE1 4.49Å; V55-F137 HydrophobicContact CG1-CE1 4.16Å; V55-F137 HydrophobicContact CG1-CZ 3.92Å; V55-F137 HydrophobicContact CG2-CE1 4.19Å
56L91.3Very high76Confident0 Ų053.5 Ų53.50%028%0.281CS..EExtended strand (participates in β ladder)trans-98.2134.717517666.4000110P63 R64 I65 F76 P85 F98 W99 I101 F124L56-P63 HydrophobicContact CD1-CB 3.94Å; L56-R64 WeakPolarHBondContact CA-O 3.49Å; L56-I65 HydrophobicContact CD1-CG2 3.96Å; L56-F76 HydrophobicContact CD1-CE2 4.32Å; L56-F76 HydrophobicContact CD1-CZ 3.81Å; L56-F76 HydrophobicContact CD2-CZ 4.01Å; L56-P85 HydrophobicContact CD2-CG 3.94Å; L56-F98 WeakPolarHBondContact O-CA 3.23Å; L56-W99 HydrophobicContact CB-CB 4.29Å; L56-W99 HydrophobicContact CG-CE3 4.44Å; L56-W99 PolarHBondContact N-O 3.28Å; L56-W99 PolarHBondContact O-N 2.83Å; L56-I101 HydrophobicContact CB-CD1 3.93Å; L56-I101 HydrophobicContact CB-CG1 4.14Å; L56-I101 HydrophobicContact CB-CG2 3.95Å; L56-I101 HydrophobicContact CD2-CG2 4.13Å; L56-F124 HydrophobicContact CD2-CE2 4.25Å
57S88.3Confident78.4Confident3 Ų348.6 Ų48.62%0.02125%0.248CC..EExtended strand (participates in β ladder)trans-122.8129.7168.8178.10000109.3S59 P63 R64S57-S59 PolarHBondContact O-N 3.47Å; S57-P63 CarbonylContact O-C 3.51Å; S57-P63 VanDerWaalsContact O-CA 3.3Å; S57-P63 WeakPolarHBondContact O-CA 3.3Å; S57-R64 PolarHBondContact N-O 3.27Å; S57-R64 PolarHBondContact O-N 2.85Å
58T81.6Confident80.4Confident40 Ų4044.2 Ų44.225%0.24522%0.219CC..EExtended strand (participates in β ladder)trans-90.394.5174.157.60000108.9L84 P85 W99T58-L84 HydrophobicContact CG2-CB 4.35Å; T58-L84 HydrophobicContact CG2-CD2 4.02Å; T58-P85 HydrophobicContact CG2-CG 4.36Å; T58-W99 HydrophobicContact CG2-CE3 4.3Å; T58-W99 HydrophobicContact CG2-CH2 3.97Å; T58-W99 HydrophobicContact CG2-CZ3 3.57Å; T58-W99 WeakPolarHBondContact OG1-CZ3 3.19Å
59S67.4Low81.9Confident30 Ų3043.9 Ų43.921%0.2122%0.217CC..  trans-84.1168.1170.995.50000111.4S57 Q61 Y62S57-S59 PolarHBondContact O-N 3.47Å; S59-Q61 VanDerWaalsContact C-N 3.33Å; S59-Q61 PolarHBondContact O-N 3.35Å; S59-Q61 PolarHBondContact OG-N 2.9Å; S59-Y62 WeakPolarHBondContact CB-O 3.46Å; S59-Y62 PolarHBondContact OG-N 3.45Å; S59-Y62 PolarHBondContact OG-O 3.25Å
60N64.3Low83.1Confident135 Ų13543.1 Ų43.172%0.72221%0.211SC*.SBendtrans-67.5-26.3-177.5-73.3-5.8000114.6I94N60-I94 WeakPolarHBondContact ND2-CD1 3.32Å
61Q69.2Low84.1Confident167 Ų16736.4 Ų36.478%0.7818%0.179SC*.SBendtrans-102.3-51.2-175.4-70.6-176.1-0.900112.3S59S59-Q61 VanDerWaalsContact C-N 3.33Å; S59-Q61 PolarHBondContact O-N 3.35Å; S59-Q61 PolarHBondContact OG-N 2.9Å
62Y76.5Confident84.2Confident102 Ų10233.6 Ų33.640%0.417%0.166SC..SBendtrans-143140.3174.6-66.1-74.4000109.8S59 F118S59-Y62 WeakPolarHBondContact CB-O 3.46Å; S59-Y62 PolarHBondContact OG-N 3.45Å; S59-Y62 PolarHBondContact OG-O 3.25Å; Y62-F118 HydrophobicContact CD1-CZ 4.17Å; Y62-F118 HydrophobicContact CG-CZ 4.37Å
63P85.8Confident84.1Confident13 Ų1334.6 Ų34.68%0.08417%0.174CC..EExtended strand (participates in β ladder)trans-56.9145.9167.527-33.3000109.1L56 S57 A74 F76 L84L56-P63 HydrophobicContact CD1-CB 3.94Å; S57-P63 CarbonylContact O-C 3.51Å; S57-P63 VanDerWaalsContact O-CA 3.3Å; S57-P63 WeakPolarHBondContact O-CA 3.3Å; P63-A74 VanDerWaalsContact CD-O 3.27Å; P63-A74 WeakPolarHBondContact CD-O 3.29Å; P63-A74 HydrophobicContact CG-CB 4.38Å; P63-A74 VanDerWaalsContact CG-O 3.23Å; P63-A74 WeakPolarHBondContact CG-O 3.48Å; P63-A74 PolarHBondContact O-N 3.08Å; P63-F76 HydrophobicContact CB-CD2 4.42Å; P63-F76 HydrophobicContact CB-CE2 3.61Å; P63-F76 HydrophobicContact CB-CZ 4.39Å; P63-F76 HydrophobicContact CG-CD2 3.71Å; P63-F76 HydrophobicContact CG-CE2 3.38Å; P63-F76 HydrophobicContact CG-CZ 4.4Å; P63-L84 HydrophobicContact CB-CD2 3.82Å; P63-L84 HydrophobicContact CG-CD2 3.94Å
64R88.7Confident83.9Confident28 Ų2832.6 Ų32.611%0.10617%0.165CC..EExtended strand (participates in β ladder)trans-117.3143.8177.4-58.917971.9-174.36.1109.1L56 S57 W71 I72 E95L56-R64 WeakPolarHBondContact CA-O 3.49Å; S57-R64 PolarHBondContact N-O 3.27Å; S57-R64 PolarHBondContact O-N 2.85Å; R64-W71 HydrophobicContact CB-CE3 3.58Å; R64-W71 HydrophobicContact CB-CZ3 3.92Å; R64-W71 VanDerWaalsContact NH2-CB 3.27Å; R64-W71 WeakPolarHBondContact O-CZ3 3.48Å; R64-I72 CarbonylContact C-O 3.44Å; R64-I72 WeakPolarHBondContact CA-O 3.42Å; R64-E95 IonicContact NH1-OE1 2.94Å
65I89.9Confident83.6Confident0 Ų037.9 Ų37.90%019%0.188CC..EExtended strand (participates in β ladder)trans-116147.3171.763.9171.5000110.6F32 A54 V55 L56 W71 I72 A74 I101 I103 A119 I121F32-I65 HydrophobicContact CZ-CD1 4.24Å; A54-I65 HydrophobicContact CB-CB 4.45Å; V55-I65 CarbonylContact O-C 3.48Å; V55-I65 VanDerWaalsContact O-CA 3.27Å; V55-I65 WeakPolarHBondContact O-CA 3.28Å; L56-I65 HydrophobicContact CD1-CG2 3.96Å; I65-W71 VanDerWaalsContact C-CE3 3.44Å; I65-W71 WeakPolarHBondContact O-CA 3.41Å; I65-I72 HydrophobicContact CD1-CD1 4.05Å; I65-I72 HydrophobicContact CD1-CG1 4.06Å; I65-I72 HydrophobicContact CG1-CD1 4.04Å; I65-I72 HydrophobicContact CG1-CG1 3.48Å; I65-I72 VanDerWaalsContact CG1-CG1 3.48Å; I65-I72 PolarHBondContact N-O 2.84Å; I65-I72 PolarHBondContact O-N 2.67Å; I65-A74 HydrophobicContact CG2-CB 4.09Å; I65-I101 HydrophobicContact CG2-CD1 4.34Å; I65-I103 HydrophobicContact CD1-CD1 4.09Å; I65-A119 HydrophobicContact CD1-CB 3.56Å; I65-A119 HydrophobicContact CG1-CB 4.3Å; I65-I121 HydrophobicContact CD1-CD1 4.42Å; I65-I121 HydrophobicContact CG2-CD1 3.84Å
66Y90.2Very high83.2Confident4 Ų439.1 Ų39.12%0.01619%0.193CC..EExtended strand (participates in β ladder)trans-126.5128.9177.9-178.4-118.6000110.3W13 A54 V55 G68 L70 W71 F137W13-Y66 HydrophobicContact CD2-CE1 4.09Å; W13-Y66 AromaticContact CE2-CE1 3.9Å; W13-Y66 HydrophobicContact CE3-CE1 4.25Å; W13-Y66 HydrophobicContact CH2-CD1 4.38Å; W13-Y66 HydrophobicContact CH2-CE1 4.09Å; W13-Y66 HydrophobicContact CZ2-CD1 4.27Å; W13-Y66 AromaticContact CZ2-CE1 3.91Å; W13-Y66 HydrophobicContact CZ2-CE1 3.91Å; W13-Y66 HydrophobicContact CZ3-CE1 4.26Å; A54-Y66 CarbonylContact C-O 3.57Å; A54-Y66 VanDerWaalsContact CA-O 3.29Å; A54-Y66 WeakPolarHBondContact CA-O 3.37Å; A54-Y66 WeakPolarHBondContact CB-O 3.34Å; V55-Y66 HydrophobicContact CB-CD1 4.48Å; V55-Y66 HydrophobicContact CG2-CD1 4.5Å; V55-Y66 PolarHBondContact N-O 3.33Å; V55-Y66 PolarHBondContact O-N 3.42Å; Y66-G68 VanDerWaalsContact OH-C 3.23Å; Y66-G68 PolarHBondContact OH-O 3.17Å; Y66-L70 WeakPolarHBondContact CA-O 3.31Å; Y66-L70 WeakPolarHBondContact CD2-O 3.48Å; Y66-W71 HydrophobicContact CD1-CZ2 4.39Å; Y66-W71 AromaticContact CD2-CD1 3.59Å; Y66-W71 AromaticContact CD2-CD2 3.98Å; Y66-W71 HydrophobicContact CD2-CD2 3.98Å; Y66-W71 AromaticContact CD2-CE2 3.82Å; Y66-W71 AromaticContact CD2-CG 3.86Å; Y66-W71 HydrophobicContact CD2-CG 3.86Å; Y66-W71 HydrophobicContact CD2-CZ2 4.48Å; Y66-W71 AromaticContact CD2-NE1 3.55Å; Y66-W71 HydrophobicContact CG-CD2 4.07Å; Y66-W71 AromaticContact CG-CE2 3.71Å; Y66-W71 HydrophobicContact CG-CG 4.43Å; Y66-W71 HydrophobicContact CG-CH2 4.43Å; Y66-W71 AromaticContact CG-CZ2 3.93Å; Y66-W71 HydrophobicContact CG-CZ2 3.93Å; Y66-W71 AromaticContact CG-NE1 3.87Å; Y66-F137 AromaticContact CD1-CD1 3.84Å; Y66-F137 HydrophobicContact CD1-CD1 3.84Å; Y66-F137 HydrophobicContact CD1-CE1 4.37Å; Y66-F137 HydrophobicContact CE1-CB 4.5Å; Y66-F137 AromaticContact CE1-CD1 3.76Å; Y66-F137 HydrophobicContact CE1-CD1 3.76Å
67D87.1Confident82.4Confident0 Ų042.4 Ų42.40%021%0.213CC..  trans-99.85.7179.772.4-13.7000113.5V29 T30 P31 F32 I33 N69 L70V29-D67 VanDerWaalsContact CG1-C 3.44Å; T30-D67 CarbonylContact C-O 3.59Å; P31-D67 VanDerWaalsContact CA-O 3.31Å; P31-D67 WeakPolarHBondContact CA-O 3.44Å; P31-D67 VanDerWaalsContact CA-OD2 3.31Å; P31-D67 WeakPolarHBondContact CA-OD2 3.48Å; F32-D67 HydrophobicContact CD1-CB 3.48Å; F32-D67 VanDerWaalsContact CD1-CB 3.48Å; F32-D67 HydrophobicContact CE1-CB 3.54Å; F32-D67 HydrophobicContact CG-CB 4.45Å; F32-D67 PolarHBondContact N-OD2 3.45Å; I33-D67 WeakPolarHBondContact CB-OD2 3.48Å; I33-D67 HydrophobicContact CD1-CB 3.7Å; I33-D67 HydrophobicContact CG1-CB 3.88Å; I33-D67 WeakPolarHBondContact CG1-OD2 3.26Å; I33-D67 PolarHBondContact N-OD2 3.16Å; D67-N69 PolarHBondContact OD1-N 3.34Å; D67-L70 PolarHBondContact OD1-N 3.15Å
68G83.2Confident81.3Confident1 Ų144.3 Ų44.31%0.0123%0.227CC..SBendtrans100-13-173.500000114.2Y66Y66-G68 VanDerWaalsContact OH-C 3.23Å; Y66-G68 PolarHBondContact OH-O 3.17Å
69N81.4Confident80.1Confident85 Ų8553.7 Ų53.746%0.45526%0.259SS..SBendtrans-123.5-46.4175.1-77.2-4.2000112P31 D67P31-N69 HydrophobicContact CB-CB 4.24Å; P31-N69 VanDerWaalsContact CB-ND2 3.32Å; P31-N69 WeakPolarHBondContact CB-ND2 3.43Å; P31-N69 HydrophobicContact CG-CB 4.16Å; P31-N69 WeakPolarHBondContact CG-ND2 3.45Å; P31-N69 WeakPolarHBondContact CG-OD1 3.35Å; D67-N69 PolarHBondContact OD1-N 3.34Å
70L83Confident79.3Confident26 Ų2657 Ų5714%0.13628%0.277CS..  trans-128.6134.2-169.2-17764.4000111.3I33 F34 Y66 D67 I72 V143I33-L70 HydrophobicContact CD1-CB 4.47Å; I33-L70 WeakPolarHBondContact CD1-O 3.27Å; I33-L70 HydrophobicContact CG2-CD2 4.04Å; F34-L70 HydrophobicContact CE1-CD2 4.26Å; F34-L70 HydrophobicContact CE2-CB 4.19Å; F34-L70 HydrophobicContact CE2-CD2 3.84Å; F34-L70 HydrophobicContact CZ-CD2 3.69Å; Y66-L70 WeakPolarHBondContact CA-O 3.31Å; Y66-L70 WeakPolarHBondContact CD2-O 3.48Å; D67-L70 PolarHBondContact OD1-N 3.15Å; L70-I72 HydrophobicContact CD2-CG2 3.56Å; L70-I72 HydrophobicContact CG-CG2 3.72Å; L70-V143 HydrophobicContact CD1-CG1 4.34Å; L70-V143 HydrophobicContact CD1-CG2 3.4Å; L70-V143 VanDerWaalsContact CD1-CG2 3.4Å
71W87.3Confident78.8Confident20 Ų2061.7 Ų61.78%0.07629%0.285CS..EExtended strand (participates in β ladder)trans-88125.3164.5-80100.7000110V55 R64 I65 Y66 F98 F137V55-W71 HydrophobicContact CB-CH2 4.41Å; V55-W71 HydrophobicContact CG1-CH2 4.09Å; R64-W71 HydrophobicContact CB-CE3 3.58Å; R64-W71 HydrophobicContact CB-CZ3 3.92Å; R64-W71 VanDerWaalsContact NH2-CB 3.27Å; R64-W71 WeakPolarHBondContact O-CZ3 3.48Å; I65-W71 VanDerWaalsContact C-CE3 3.44Å; I65-W71 WeakPolarHBondContact O-CA 3.41Å; Y66-W71 HydrophobicContact CD1-CZ2 4.39Å; Y66-W71 AromaticContact CD2-CD1 3.59Å; Y66-W71 AromaticContact CD2-CD2 3.98Å; Y66-W71 HydrophobicContact CD2-CD2 3.98Å; Y66-W71 AromaticContact CD2-CE2 3.82Å; Y66-W71 AromaticContact CD2-CG 3.86Å; Y66-W71 HydrophobicContact CD2-CG 3.86Å; Y66-W71 HydrophobicContact CD2-CZ2 4.48Å; Y66-W71 AromaticContact CD2-NE1 3.55Å; Y66-W71 HydrophobicContact CG-CD2 4.07Å; Y66-W71 AromaticContact CG-CE2 3.71Å; Y66-W71 HydrophobicContact CG-CG 4.43Å; Y66-W71 HydrophobicContact CG-CH2 4.43Å; Y66-W71 AromaticContact CG-CZ2 3.93Å; Y66-W71 HydrophobicContact CG-CZ2 3.93Å; Y66-W71 AromaticContact CG-NE1 3.87Å; W71-F98 HydrophobicContact CH2-CD1 4.18Å; W71-F98 HydrophobicContact CH2-CE1 4.09Å; W71-F98 HydrophobicContact CZ2-CE1 4.28Å; W71-F137 HydrophobicContact CZ2-CB 4.11Å; W71-F137 HydrophobicContact CZ2-CD1 4.28Å; W71-F137 AromaticContact CZ2-CD2 3.9Å; W71-F137 HydrophobicContact CZ2-CD2 3.9Å; W71-F137 HydrophobicContact CZ2-CE2 4.38Å; W71-F137 AromaticContact CZ2-CG 3.84Å; W71-F137 HydrophobicContact CZ2-CG 3.84Å
72I86.5Confident78.3Confident7 Ų760.1 Ų60.14%0.03628%0.282CS..EExtended strand (participates in β ladder)trans-124.4152.5172.566.5172.8000111.1I33 R64 I65 L70 I108 H117 A119I33-I72 HydrophobicContact CB-CD1 4.48Å; I33-I72 HydrophobicContact CD1-CB 4.49Å; I33-I72 HydrophobicContact CD1-CD1 3.79Å; I33-I72 HydrophobicContact CD1-CG1 3.74Å; I33-I72 HydrophobicContact CD1-CG2 4.08Å; I33-I72 HydrophobicContact CG1-CD1 3.88Å; I33-I72 HydrophobicContact CG1-CG1 4.4Å; I33-I72 HydrophobicContact CG2-CD1 3.79Å; I33-I72 HydrophobicContact CG2-CG2 3.93Å; R64-I72 CarbonylContact C-O 3.44Å; R64-I72 WeakPolarHBondContact CA-O 3.42Å; I65-I72 HydrophobicContact CD1-CD1 4.05Å; I65-I72 HydrophobicContact CD1-CG1 4.06Å; I65-I72 HydrophobicContact CG1-CD1 4.04Å; I65-I72 HydrophobicContact CG1-CG1 3.48Å; I65-I72 VanDerWaalsContact CG1-CG1 3.48Å; I65-I72 PolarHBondContact N-O 2.84Å; I65-I72 PolarHBondContact O-N 2.67Å; L70-I72 HydrophobicContact CD2-CG2 3.56Å; L70-I72 HydrophobicContact CG-CG2 3.72Å; I72-I108 HydrophobicContact CD1-CD1 4.18Å; I72-I108 HydrophobicContact CD1-CG2 4.45Å; I72-H117 HydrophobicContact CB-CB 4.48Å; I72-H117 WeakPolarHBondContact CB-O 3.09Å; I72-H117 HydrophobicContact CD1-CB 4.46Å; I72-H117 HydrophobicContact CG2-CB 3.77Å; I72-A119 HydrophobicContact CD1-CB 3.72Å; I72-A119 HydrophobicContact CG1-CB 4.41Å
73S88.2Confident77.8Confident23 Ų2357.3 Ų57.316%0.16128%0.276CS..EExtended strand (participates in β ladder)trans-71.9144.5171-64.50000109.9F118 A119S73-F118 WeakPolarHBondContact O-CA 3.24Å; S73-A119 PolarHBondContact O-N 3.23Å
74A87.5Confident77.3Confident0 Ų060.1 Ų60.10%029%0.29CS..EExtended strand (participates in β ladder)trans-126153.4179.300000110.6P63 I65 A119 I121P63-A74 VanDerWaalsContact CD-O 3.27Å; P63-A74 WeakPolarHBondContact CD-O 3.29Å; P63-A74 HydrophobicContact CG-CB 4.38Å; P63-A74 VanDerWaalsContact CG-O 3.23Å; P63-A74 WeakPolarHBondContact CG-O 3.48Å; P63-A74 PolarHBondContact O-N 3.08Å; I65-A74 HydrophobicContact CG2-CB 4.09Å; A74-A119 CarbonylContact C-O 3.58Å; A74-A119 WeakPolarHBondContact CA-O 3.4Å; A74-A119 HydrophobicContact CB-CB 4.09Å; A74-I121 HydrophobicContact CB-CD1 3.97Å
75K85.8Confident76.9Confident112 Ų11259.8 Ų59.849%0.48729%0.292SS..EExtended strand (participates in β ladder)trans-129.5128.1168-179.7178.7-178.4-175.60108.5V77 F118 A119 F120 I121K75-V77 PolarHBondContact O-N 2.83Å; K75-F118 HydrophobicContact CB-CE1 3.58Å; K75-F118 HydrophobicContact CB-CZ 4.18Å; K75-A119 PolarHBondContact N-O 3.18Å; K75-F120 HydrophobicContact CB-CD1 4.39Å; K75-F120 HydrophobicContact CD-CE1 4.44Å; K75-F120 WeakPolarHBondContact O-CA 3.49Å; K75-I121 PolarHBondContact O-N 2.98Å
76F83.6Confident76.6Confident26 Ų2668.4 Ų68.411%0.11433%0.329CS..EExtended strand (participates in β ladder)trans-78.6119.1171.9-63.8-73.5000108.6L56 P63 S78 P83 L84 I121 F124L56-F76 HydrophobicContact CD1-CE2 4.32Å; L56-F76 HydrophobicContact CD1-CZ 3.81Å; L56-F76 HydrophobicContact CD2-CZ 4.01Å; P63-F76 HydrophobicContact CB-CD2 4.42Å; P63-F76 HydrophobicContact CB-CE2 3.61Å; P63-F76 HydrophobicContact CB-CZ 4.39Å; P63-F76 HydrophobicContact CG-CD2 3.71Å; P63-F76 HydrophobicContact CG-CE2 3.38Å; P63-F76 HydrophobicContact CG-CZ 4.4Å; F76-S78 VanDerWaalsContact C-N 3.25Å; F76-P83 HydrophobicContact CB-CB 4.03Å; F76-P83 HydrophobicContact CB-CG 3.4Å; F76-P83 HydrophobicContact CD2-CG 4.13Å; F76-P83 HydrophobicContact CG-CB 4.2Å; F76-P83 HydrophobicContact CG-CG 3.87Å; F76-L84 HydrophobicContact CD2-CD2 3.61Å; F76-L84 HydrophobicContact CD2-CG 4.48Å; F76-L84 HydrophobicContact CE2-CD2 3.29Å; F76-L84 HydrophobicContact CZ-CD2 4.4Å; F76-I121 CarbonylContact C-O 2.98Å; F76-I121 WeakPolarHBondContact CA-O 3.48Å; F76-I121 HydrophobicContact CD1-CB 3.77Å; F76-I121 HydrophobicContact CD1-CD1 4.47Å; F76-I121 HydrophobicContact CD1-CG2 3.87Å; F76-I121 HydrophobicContact CE1-CB 3.92Å; F76-I121 HydrophobicContact CE1-CD1 3.82Å; F76-I121 HydrophobicContact CE1-CG1 4.46Å; F76-I121 HydrophobicContact CE1-CG2 3.83Å; F76-I121 HydrophobicContact CZ-CD1 4.28Å; F76-F124 AromaticContact CD1-CD1 3.9Å; F76-F124 HydrophobicContact CD1-CD1 3.9Å; F76-F124 AromaticContact CD1-CE1 3.56Å; F76-F124 HydrophobicContact CD1-CE1 3.56Å; F76-F124 HydrophobicContact CD1-CZ 4.46Å; F76-F124 AromaticContact CE1-CD1 3.5Å; F76-F124 HydrophobicContact CE1-CD1 3.5Å; F76-F124 AromaticContact CE1-CE1 3.23Å; F76-F124 HydrophobicContact CE1-CE1 3.23Å; F76-F124 HydrophobicContact CE1-CG 4.31Å; F76-F124 AromaticContact CE1-CZ 3.83Å; F76-F124 HydrophobicContact CE1-CZ 3.83Å; F76-F124 HydrophobicContact CZ-CE1 4.02Å; F76-F124 HydrophobicContact CZ-CZ 4.19Å
77V75.6Confident76.5Confident68 Ų6869.1 Ų69.141%0.41234%0.335SS..  trans-83.8-9.1178.9-173.60000111.1K75 Y79 F120 I121 E122K75-V77 PolarHBondContact O-N 2.83Å; V77-Y79 PolarHBondContact O-N 3.14Å; V77-F120 HydrophobicContact CG2-CB 3.83Å; V77-F120 HydrophobicContact CG2-CD1 4.15Å; V77-F120 HydrophobicContact CG2-CG 4.48Å; V77-I121 PolarHBondContact N-O 3.42Å; V77-E122 HydrophobicContact CB-CG 4.32Å
78S65.7Low76.5Confident44 Ų4473.3 Ų73.331%0.30836%0.364SS..  trans-45.3137.8-175.3-173.60000113.7F76 V80F76-S78 VanDerWaalsContact C-N 3.25Å; S78-V80 PolarHBondContact O-N 3.09Å; S78-V80 WeakPolarHBondContact OG-CB 3.45Å; S78-V80 WeakPolarHBondContact OG-CG2 3.46Å; S78-V80 PolarHBondContact OG-N 3.44Å; S78-V80 VanDerWaalsContact OG-N 3.13Å
79Y55.8Low76.6Confident237 Ų23781.9 Ų81.993%0.92940%0.396SS*.SBendtrans-69-6.7170.3-57.9-80.4000113V77V77-Y79 PolarHBondContact O-N 3.14Å
80V50.7Low76.6Confident98 Ų9887.9 Ų87.959%0.59441%0.412SS*.SBendtrans-85.8132.7-179.6-174.50000110S78 D82S78-V80 PolarHBondContact O-N 3.09Å; S78-V80 WeakPolarHBondContact OG-CB 3.45Å; S78-V80 WeakPolarHBondContact OG-CG2 3.46Å; S78-V80 PolarHBondContact OG-N 3.44Å; S78-V80 VanDerWaalsContact OG-N 3.13Å; V80-D82 PolarHBondContact O-N 3.32Å
81R52.4Low76.4Confident234 Ų23489.7 Ų89.788%0.88342%0.422SS*.SBendtrans-63.7132.5173-69.1-175.3-178.5-176.70.8109.9
82D59.5Low75.7Confident134 Ų134100 Ų10072%0.71746%0.461SS*.  trans5564.1176.9-57.7-24.5000115.2V80 L84V80-D82 PolarHBondContact O-N 3.32Å; D82-L84 PolarHBondContact O-N 2.81Å
83P65.2Low75.2Confident43 Ų43104.4 Ų104.428%0.27949%0.487SS..  trans-68.7-3.6-179.830.4-35.4000113.5F76F76-P83 HydrophobicContact CB-CB 4.03Å; F76-P83 HydrophobicContact CB-CG 3.4Å; F76-P83 HydrophobicContact CD2-CG 4.13Å; F76-P83 HydrophobicContact CG-CB 4.2Å; F76-P83 HydrophobicContact CG-CG 3.87Å
84L76.2Confident74.4Confident72 Ų72107.1 Ų107.138%0.37750%0.499SS..SBendtrans-77.6125.6-175.8-65.3175000110.5T58 P63 F76 D82T58-L84 HydrophobicContact CG2-CB 4.35Å; T58-L84 HydrophobicContact CG2-CD2 4.02Å; P63-L84 HydrophobicContact CB-CD2 3.82Å; P63-L84 HydrophobicContact CG-CD2 3.94Å; F76-L84 HydrophobicContact CD2-CD2 3.61Å; F76-L84 HydrophobicContact CD2-CG 4.48Å; F76-L84 HydrophobicContact CE2-CD2 3.29Å; F76-L84 HydrophobicContact CZ-CD2 4.4Å; D82-L84 PolarHBondContact O-N 2.81Å
85P80.6Confident73.9Confident22 Ų22109 Ų10914%0.14351%0.508CS..PPolyproline II helixtrans-62.2145.1174.625.5-32.1000111.2L56 T58 W99 I126L56-P85 HydrophobicContact CD2-CG 3.94Å; T58-P85 HydrophobicContact CG2-CG 4.36Å; P85-W99 HydrophobicContact CB-CD2 4.11Å; P85-W99 HydrophobicContact CB-CG 4.42Å; P85-W99 HydrophobicContact CB-CZ2 3.9Å; P85-W99 HydrophobicContact CG-CD2 3.57Å; P85-W99 HydrophobicContact CG-CE3 3.91Å; P85-W99 HydrophobicContact CG-CG 4.01Å; P85-W99 HydrophobicContact CG-CH2 4.24Å; P85-W99 HydrophobicContact CG-CZ2 3.93Å; P85-W99 HydrophobicContact CG-CZ3 4.26Å; P85-I126 HydrophobicContact CB-CD1 3.55Å; P85-I126 HydrophobicContact CG-CD1 3.98Å
86K83.5Confident73.8Confident180 Ų180105.3 Ų105.378%0.78350%0.495SS*.PPolyproline II helixtrans-99.3134.5172.5-66.2179-177.9173.40108.7S88K86-S88 PolarHBondContact O-N 3.2Å
87C88Confident74Confident19 Ų19104.5 Ų104.513%0.12849%0.492CS..PPolyproline II helixtrans-58.3124.3175.7173.50000110.3R89 R90 I91 C97 W99 E129 H131C87-R89 PolarHBondContact O-N 3.38Å; C87-R89 PolarHBondContact SG-N 3.3Å; C87-R89 VanDerWaalsContact SG-N 3.38Å; C87-R90 PolarHBondContact O-N 3.42Å; C87-R90 PolarHBondContact SG-N 3.24Å; C87-I91 PolarHBondContact SG-N 3.25Å; C87-I91 VanDerWaalsContact SG-N 3.4Å; C87-C97 HydrophobicContact CB-CB 4.24Å; C87-C97 VanDerWaalsContact CB-SG 3.58Å; C87-W99 HydrophobicContact CB-CZ2 4.46Å; C87-E129 VanDerWaalsContact CA-OE1 3.25Å; C87-E129 WeakPolarHBondContact CA-OE1 3.41Å; C87-E129 PolarHBondContact SG-OE1 2.99Å; C87-H131 PolarHBondContact SG-NE2 3.18Å
88S87.5Confident74.7Confident89 Ų89101.3 Ų101.362%0.62247%0.473SS*.THydrogen-bonded Turntrans-62.9-31.9177.858.70000111.9K86 R90 E129K86-S88 PolarHBondContact O-N 3.2Å; S88-R90 VanDerWaalsContact C-N 3.26Å; S88-R90 PolarHBondContact O-N 2.97Å; S88-E129 WeakPolarHBondContact CB-OE2 3.29Å; S88-E129 PolarHBondContact N-OE1 3.21Å; S88-E129 PolarHBondContact N-OE2 3.27Å; S88-E129 VanDerWaalsContact N-OE2 3.15Å; S88-E129 PolarHBondContact OG-OE1 3.07Å; S88-E129 PolarHBondContact OG-OE2 2.74Å
89R85.9Confident75.9Confident180 Ų18099.5 Ų99.568%0.67946%0.459SS*.THydrogen-bonded Turntrans-82.21.6174.9-63.5-168.8-179.5-175.8-3.6114.1C87 I91 H131C87-R89 PolarHBondContact O-N 3.38Å; C87-R89 PolarHBondContact SG-N 3.3Å; C87-R89 VanDerWaalsContact SG-N 3.38Å; R89-I91 HydrophobicContact CB-CD1 4.11Å; R89-I91 HydrophobicContact CB-CG1 3.87Å; R89-I91 PolarHBondContact O-N 3Å; R89-I91 VanDerWaalsContact O-N 3.1Å; R89-H131 VanDerWaalsContact CD-CE1 3.47Å; R89-H131 WeakPolarHBondContact CD-CE1 3.42Å
90R81.1Confident77.7Confident211 Ų21188.2 Ų88.280%0.79642%0.415SS*.  trans53.828.2-178.1-55.1179.6178.6-179.4-0.3113.5C87 S88 R92C87-R90 PolarHBondContact O-N 3.42Å; C87-R90 PolarHBondContact SG-N 3.24Å; S88-R90 VanDerWaalsContact C-N 3.26Å; S88-R90 PolarHBondContact O-N 2.97Å; R90-R92 PolarHBondContact O-N 3.31Å
91I78.5Confident79.7Confident64 Ų6483.5 Ų83.533%0.32839%0.387SS..  trans-67.7126.6174.8-59.6179.5000107.9C87 R89 V93 T96 H131C87-I91 PolarHBondContact SG-N 3.25Å; C87-I91 VanDerWaalsContact SG-N 3.4Å; R89-I91 HydrophobicContact CB-CD1 4.11Å; R89-I91 HydrophobicContact CB-CG1 3.87Å; R89-I91 PolarHBondContact O-N 3Å; R89-I91 VanDerWaalsContact O-N 3.1Å; I91-V93 HydrophobicContact CG2-CB 4.15Å; I91-V93 HydrophobicContact CG2-CG2 4.3Å; I91-T96 WeakPolarHBondContact CG2-OG1 3.45Å; I91-H131 VanDerWaalsContact CD1-CD2 3.49Å; I91-H131 WeakPolarHBondContact CD1-CD2 3.35Å
92R72.1Confident81.6Confident237 Ų23777.1 Ų77.189%0.89436%0.363SS*.  trans-106.11.7-178.4-59-174-176.9179.90.3113.1R90 I94R90-R92 PolarHBondContact O-N 3.31Å; R92-I94 PolarHBondContact O-N 3.21Å
93V75.3Confident83.1Confident99 Ų9970.7 Ų70.760%0.633%0.329SS*.SBendtrans-76.6122.9177-171.50000107.9I91 T96I91-V93 HydrophobicContact CG2-CB 4.15Å; I91-V93 HydrophobicContact CG2-CG2 4.3Å; V93-T96 HydrophobicContact CB-CG2 3.75Å; V93-T96 HydrophobicContact CG1-CG2 3.52Å; V93-T96 PolarHBondContact O-OG1 3.21Å
94I71.5Confident84.1Confident80 Ų8071.7 Ų71.741%0.4133%0.331SS..THydrogen-bonded Turntrans-58.6145.6178.7-59.2165.6000108.8N60 R92 T96N60-I94 WeakPolarHBondContact ND2-CD1 3.32Å; R92-I94 PolarHBondContact O-N 3.21Å; I94-T96 PolarHBondContact O-N 3.48Å; I94-T96 VanDerWaalsContact O-N 3.17Å
95E77.1Confident84.5Confident39 Ų3970.2 Ų70.218%0.18233%0.327CS..THydrogen-bonded Turntrans6128.1172.6-80.7-179.4-178.600114.1R64 F98 A134R64-E95 IonicContact NH1-OE1 2.94Å; E95-F98 HydrophobicContact CB-CZ 4.48Å; E95-F98 WeakPolarHBondContact O-CE2 3.23Å; E95-F98 VanDerWaalsContact O-CZ 3.22Å; E95-F98 WeakPolarHBondContact O-CZ 3.27Å; E95-A134 HydrophobicContact CB-CB 3.88Å; E95-A134 HydrophobicContact CG-CB 4.39Å; E95-A134 PolarHBondContact O-N 3.33Å
96T83.1Confident84.8Confident35 Ų3571.1 Ų71.122%0.21533%0.328CS..SBendtrans-119.6-17.4173.863.40000114.4I91 V93 I94 H131 T132I91-T96 WeakPolarHBondContact CG2-OG1 3.45Å; V93-T96 HydrophobicContact CB-CG2 3.75Å; V93-T96 HydrophobicContact CG1-CG2 3.52Å; V93-T96 PolarHBondContact O-OG1 3.21Å; I94-T96 PolarHBondContact O-N 3.48Å; I94-T96 VanDerWaalsContact O-N 3.17Å; T96-H131 VanDerWaalsContact O-CA 3.23Å; T96-H131 WeakPolarHBondContact O-CA 3.13Å; T96-T132 WeakPolarHBondContact CA-O 2.99Å; T96-T132 PolarHBondContact O-N 3.35Å; T96-T132 VanDerWaalsContact O-N 3.16Å
97C88Confident84.8Confident9 Ų964.7 Ų64.76%0.06131%0.306CS..EExtended strand (participates in β ladder)trans-117.6129.4177.5-174.40000109.1C87 W99 E129 H131C87-C97 HydrophobicContact CB-CB 4.24Å; C87-C97 VanDerWaalsContact CB-SG 3.58Å; C97-W99 HydrophobicContact CB-CH2 4.29Å; C97-W99 VanDerWaalsContact SG-CZ2 3.54Å; C97-E129 PolarHBondContact SG-OE1 3.1Å; C97-E129 VanDerWaalsContact SG-OE1 3.42Å; C97-H131 PolarHBondContact SG-NE2 3.24Å; C97-H131 VanDerWaalsContact SG-NE2 3.35Å
98F90.9Very high84.7Confident1 Ų164.7 Ų64.70%0.00430%0.304CS..EExtended strand (participates in β ladder)trans-136.1155.7-173.9-60.4-87000110.2V55 L56 W71 E95 F130 T132 A134 F137V55-F98 HydrophobicContact CG1-CB 3.87Å; V55-F98 HydrophobicContact CG1-CD1 3.92Å; V55-F98 HydrophobicContact CG1-CG 4.24Å; L56-F98 WeakPolarHBondContact O-CA 3.23Å; W71-F98 HydrophobicContact CH2-CD1 4.18Å; W71-F98 HydrophobicContact CH2-CE1 4.09Å; W71-F98 HydrophobicContact CZ2-CE1 4.28Å; E95-F98 HydrophobicContact CB-CZ 4.48Å; E95-F98 WeakPolarHBondContact O-CE2 3.23Å; E95-F98 VanDerWaalsContact O-CZ 3.22Å; E95-F98 WeakPolarHBondContact O-CZ 3.27Å; F98-F130 HydrophobicContact CB-CD1 4.35Å; F98-F130 HydrophobicContact CB-CD2 4.01Å; F98-F130 HydrophobicContact CB-CE1 3.9Å; F98-F130 HydrophobicContact CB-CE2 3.55Å; F98-F130 HydrophobicContact CB-CG 4.41Å; F98-F130 HydrophobicContact CB-CZ 3.49Å; F98-F130 VanDerWaalsContact CB-CZ 3.49Å; F98-F130 HydrophobicContact CD2-CE2 4.26Å; F98-F130 HydrophobicContact CG-CE2 4.13Å; F98-F130 HydrophobicContact CG-CZ 4.36Å; F98-F130 PolarHBondContact N-O 3.07Å; F98-F130 PolarHBondContact O-N 3.18Å; F98-T132 HydrophobicContact CD2-CG2 3.77Å; F98-T132 HydrophobicContact CE2-CG2 3.86Å; F98-T132 WeakPolarHBondContact CE2-O 3.32Å; F98-A134 HydrophobicContact CZ-CB 4.1Å; F98-F137 AromaticContact CD1-CE2 3.77Å; F98-F137 HydrophobicContact CD1-CE2 3.77Å; F98-F137 HydrophobicContact CD1-CZ 4.19Å; F98-F137 AromaticContact CD2-CE2 3.95Å; F98-F137 HydrophobicContact CD2-CE2 3.95Å; F98-F137 HydrophobicContact CD2-CZ 4.43Å; F98-F137 HydrophobicContact CE1-CD2 4.06Å; F98-F137 AromaticContact CE1-CE2 3.56Å; F98-F137 HydrophobicContact CE1-CE2 3.56Å; F98-F137 HydrophobicContact CE1-CZ 4.4Å; F98-F137 AromaticContact CE2-CE2 3.75Å; F98-F137 HydrophobicContact CE2-CE2 3.75Å; F98-F137 AromaticContact CG-CE2 3.96Å; F98-F137 HydrophobicContact CG-CE2 3.96Å; F98-F137 HydrophobicContact CG-CZ 4.2Å; F98-F137 HydrophobicContact CZ-CD2 4.04Å; F98-F137 AromaticContact CZ-CE2 3.55Å; F98-F137 HydrophobicContact CZ-CE2 3.55Å
99W91.9Very high84.4Confident6 Ų665.3 Ų65.32%0.02330%0.297CS..EExtended strand (participates in β ladder)trans-125.7129.8176.5-61.5-93.5000110.1V55 L56 T58 P85 C87 C97 I101 I126 Q128V55-W99 CarbonylContact C-O 3.57Å; V55-W99 WeakPolarHBondContact CA-O 3.31Å; L56-W99 HydrophobicContact CB-CB 4.29Å; L56-W99 HydrophobicContact CG-CE3 4.44Å; L56-W99 PolarHBondContact N-O 3.28Å; L56-W99 PolarHBondContact O-N 2.83Å; T58-W99 HydrophobicContact CG2-CE3 4.3Å; T58-W99 HydrophobicContact CG2-CH2 3.97Å; T58-W99 HydrophobicContact CG2-CZ3 3.57Å; T58-W99 WeakPolarHBondContact OG1-CZ3 3.19Å; P85-W99 HydrophobicContact CB-CD2 4.11Å; P85-W99 HydrophobicContact CB-CG 4.42Å; P85-W99 HydrophobicContact CB-CZ2 3.9Å; P85-W99 HydrophobicContact CG-CD2 3.57Å; P85-W99 HydrophobicContact CG-CE3 3.91Å; P85-W99 HydrophobicContact CG-CG 4.01Å; P85-W99 HydrophobicContact CG-CH2 4.24Å; P85-W99 HydrophobicContact CG-CZ2 3.93Å; P85-W99 HydrophobicContact CG-CZ3 4.26Å; C87-W99 HydrophobicContact CB-CZ2 4.46Å; C97-W99 HydrophobicContact CB-CH2 4.29Å; C97-W99 VanDerWaalsContact SG-CZ2 3.54Å; W99-I101 HydrophobicContact CB-CG2 3.96Å; W99-I101 PolarHBondContact O-N 2.98Å; W99-I126 HydrophobicContact CB-CG2 4.33Å; W99-I126 HydrophobicContact CG-CG2 4.39Å; W99-Q128 CarbonylContact C-O 3.56Å; W99-Q128 WeakPolarHBondContact CA-O 3.49Å
100L93.3Very high84.1Confident0 Ų061.9 Ų61.90%029%0.285CS..EExtended strand (participates in β ladder)trans-76116.2162.5177.456.7000107.2Q25 L26 V29 F53 I127 Q128 F130Q25-L100 HydrophobicContact CB-CD2 4.04Å; L26-L100 HydrophobicContact CD2-CD1 4.07Å; L26-L100 HydrophobicContact CD2-CD2 4.49Å; V29-L100 HydrophobicContact CG2-CD1 3.51Å; F53-L100 HydrophobicContact CB-CD1 4.3Å; F53-L100 HydrophobicContact CD1-CD1 4.45Å; L100-I127 HydrophobicContact CD2-CB 4.46Å; L100-I127 HydrophobicContact CD2-CD1 4.48Å; L100-I127 HydrophobicContact CD2-CG2 4.26Å; L100-I127 HydrophobicContact CG-CB 4.24Å; L100-I127 HydrophobicContact CG-CD1 4.05Å; L100-I127 WeakPolarHBondContact O-CB 3.47Å; L100-I127 PolarHBondContact O-N 3.42Å; L100-Q128 PolarHBondContact N-O 3.41Å; L100-Q128 PolarHBondContact O-N 3.48Å; L100-F130 HydrophobicContact CB-CE1 4.24Å
101I92.7Very high83.9Confident0 Ų054.3 Ų54.30%026%0.26CS..EExtended strand (participates in β ladder)trans-117.4148.8-179.162.8163.6000110.6F53 A54 L56 I65 W99 I103 F124 S125 I126F53-I101 CarbonylContact C-O 3.55Å; F53-I101 VanDerWaalsContact CA-O 3.31Å; F53-I101 WeakPolarHBondContact CA-O 3.38Å; A54-I101 HydrophobicContact CB-CD1 4.47Å; A54-I101 HydrophobicContact CB-CG1 4.11Å; A54-I101 PolarHBondContact N-O 2.87Å; A54-I101 VanDerWaalsContact O-CG1 3.31Å; A54-I101 WeakPolarHBondContact O-CG1 3.47Å; A54-I101 PolarHBondContact O-N 2.98Å; L56-I101 HydrophobicContact CB-CD1 3.93Å; L56-I101 HydrophobicContact CB-CG1 4.14Å; L56-I101 HydrophobicContact CB-CG2 3.95Å; L56-I101 HydrophobicContact CD2-CG2 4.13Å; I65-I101 HydrophobicContact CG2-CD1 4.34Å; W99-I101 HydrophobicContact CB-CG2 3.96Å; W99-I101 PolarHBondContact O-N 2.98Å; I101-I103 HydrophobicContact CD1-CD1 4.23Å; I101-I103 HydrophobicContact CD1-CG1 3.78Å; I101-I103 HydrophobicContact CG1-CG1 4.28Å; I101-F124 HydrophobicContact CB-CD2 4.13Å; I101-F124 HydrophobicContact CD1-CD2 4.34Å; I101-F124 HydrophobicContact CG2-CD2 3.86Å; I101-F124 HydrophobicContact CG2-CE2 4.19Å; I101-S125 CarbonylContact C-O 3.54Å; I101-S125 VanDerWaalsContact CA-O 3.23Å; I101-S125 WeakPolarHBondContact CA-O 3.31Å; I101-I126 HydrophobicContact CG2-CG1 4.14Å
102R92.1Very high83.6Confident99 Ų9958.3 Ų58.337%0.37428%0.277SS..EExtended strand (participates in β ladder)trans-106.2119.5162176.4-172-162.2-178.68107.4E51 F53 L104 F124 S125 I127E51-R102 HydrophobicContact CB-CG 3.88Å; E51-R102 IonicContact OE2-CZ 3.15Å; E51-R102 IonicContact OE2-NE 2.78Å; E51-R102 PolarHBondContact OE2-NE 3.22Å; E51-R102 IonicContact OE2-NH1 3.75Å; E51-R102 IonicContact OE2-NH2 3.33Å; E51-R102 PolarHBondContact OE2-NH2 2.96Å; F53-R102 HydrophobicContact CD1-CB 4.27Å; F53-R102 HydrophobicContact CE1-CB 4.17Å; R102-L104 HydrophobicContact CG-CD2 4.16Å; R102-F124 CarbonylContact O-C 3.52Å; R102-F124 WeakPolarHBondContact O-CA 3.38Å; R102-S125 PolarHBondContact N-O 3.28Å; R102-S125 PolarHBondContact O-N 3.33Å; R102-S125 PolarHBondContact O-OG 3.46Å; R102-I127 HydrophobicContact CB-CD1 3.9Å
103I89.8Confident83.8Confident0 Ų055.8 Ų55.80%028%0.276CS..EExtended strand (participates in β ladder)trans-83.6130.7-179.2-58.5174.4000107.4F32 E51 P52 A54 I65 I101 Y106 I121F32-I103 HydrophobicContact CZ-CD1 3.81Å; E51-I103 CarbonylContact C-O 3.6Å; E51-I103 WeakPolarHBondContact CA-O 3.45Å; E51-I103 WeakPolarHBondContact CB-O 3.29Å; P52-I103 HydrophobicContact CG-CB 4.18Å; P52-I103 PolarHBondContact O-N 3.37Å; A54-I103 HydrophobicContact CB-CD1 3.95Å; I65-I103 HydrophobicContact CD1-CD1 4.09Å; I101-I103 HydrophobicContact CD1-CD1 4.23Å; I101-I103 HydrophobicContact CD1-CG1 3.78Å; I101-I103 HydrophobicContact CG1-CG1 4.28Å; I103-Y106 HydrophobicContact CB-CD1 4.43Å; I103-Y106 HydrophobicContact CG2-CD1 3.52Å; I103-Y106 HydrophobicContact CG2-CE1 4.47Å; I103-Y106 HydrophobicContact CG2-CG 3.71Å; I103-I121 HydrophobicContact CD1-CD1 4.43Å; I103-I121 HydrophobicContact CG2-CG2 4.37Å
104L87.5Confident83.6Confident63 Ų6356.3 Ų56.333%0.3327%0.27SS..EExtended strand (participates in β ladder)trans-106.1-30.9-174.4-55.7175.7000112.1E51 R102 S123E51-L104 HydrophobicContact CG-CD2 4.21Å; E51-L104 VanDerWaalsContact OE1-CD2 3.3Å; E51-L104 WeakPolarHBondContact OE1-CD2 3.37Å; R102-L104 HydrophobicContact CG-CD2 4.16Å; L104-S123 PolarHBondContact N-O 3.37Å
105S84Confident83.9Confident42 Ų4260.2 Ų60.229%0.29428%0.284SS..EExtended strand (participates in β ladder)trans-147.9127.8171.7177.60000109.3E122 S123S105-E122 PolarHBondContact O-N 3.14Å; S105-E122 PolarHBondContact OG-OE2 2.94Å; S105-S123 PolarHBondContact N-O 2.88Å; S105-S123 VanDerWaalsContact N-O 3.13Å; S105-S123 PolarHBondContact O-N 3.47Å
106Y87.1Confident83.8Confident40 Ų4062.8 Ų62.816%0.15730%0.296CS..EExtended strand (participates in β ladder)trans-154.8159.8-179.370.2-70.8000112.2F32 A36 V49 P52 I103 I108 F120F32-Y106 AromaticContact CD2-CE2 3.82Å; F32-Y106 HydrophobicContact CD2-CE2 3.82Å; F32-Y106 AromaticContact CD2-CZ 3.88Å; F32-Y106 HydrophobicContact CE2-CD2 4.12Å; F32-Y106 AromaticContact CE2-CE2 3.51Å; F32-Y106 HydrophobicContact CE2-CE2 3.51Å; F32-Y106 AromaticContact CE2-CZ 3.85Å; A36-Y106 HydrophobicContact CB-CE2 3.91Å; V49-Y106 PolarHBondContact O-OH 2.87Å; P52-Y106 HydrophobicContact CG-CD1 4.48Å; P52-Y106 HydrophobicContact CG-CE1 3.76Å; I103-Y106 HydrophobicContact CB-CD1 4.43Å; I103-Y106 HydrophobicContact CG2-CD1 3.52Å; I103-Y106 HydrophobicContact CG2-CE1 4.47Å; I103-Y106 HydrophobicContact CG2-CG 3.71Å; Y106-I108 HydrophobicContact CD2-CD1 4.12Å; Y106-I108 HydrophobicContact CD2-CG1 3.72Å; Y106-I108 HydrophobicContact CE2-CD1 3.91Å; Y106-I108 HydrophobicContact CE2-CG1 3.87Å; Y106-F120 CarbonylContact C-O 3.55Å; Y106-F120 WeakPolarHBondContact CA-O 3.47Å
107S83Confident83.7Confident46 Ų4662.4 Ų62.432%0.32229%0.292SS..EExtended strand (participates in β ladder)trans-131.6144.4161.557.90000109.7F120S107-F120 PolarHBondContact N-O 3.19Å; S107-F120 PolarHBondContact O-N 3Å
108I85.2Confident83.6Confident18 Ų1862.7 Ų62.79%0.09229%0.292CS..EExtended strand (participates in β ladder)trans-114.4128.1174.9-59-168.8000107.8F32 I33 A36 I72 Y106 H117 F118 A119F32-I108 HydrophobicContact CD2-CD1 4.25Å; F32-I108 HydrophobicContact CE2-CD1 3.81Å; I33-I108 HydrophobicContact CB-CD1 4.15Å; I33-I108 HydrophobicContact CG1-CD1 3.95Å; I33-I108 HydrophobicContact CG2-CD1 4.17Å; I33-I108 HydrophobicContact CG2-CG2 4.41Å; A36-I108 HydrophobicContact CB-CB 4.34Å; A36-I108 HydrophobicContact CB-CD1 3.95Å; A36-I108 HydrophobicContact CB-CG1 4.23Å; I72-I108 HydrophobicContact CD1-CD1 4.18Å; I72-I108 HydrophobicContact CD1-CG2 4.45Å; Y106-I108 HydrophobicContact CD2-CD1 4.12Å; Y106-I108 HydrophobicContact CD2-CG1 3.72Å; Y106-I108 HydrophobicContact CE2-CD1 3.91Å; Y106-I108 HydrophobicContact CE2-CG1 3.87Å; I108-H117 HydrophobicContact CG2-CB 4.28Å; I108-F118 WeakPolarHBondContact CA-O 3.41Å; I108-A119 HydrophobicContact CG1-CB 4.39Å
109Q82Confident83.4Confident103 Ų10362.6 Ų62.648%0.48129%0.292SS..EExtended strand (participates in β ladder)trans-122.4140.7176.1-60.7180500108.9H117 F118 F120Q109-H117 CarbonylContact O-C 3.59Å; Q109-H117 WeakPolarHBondContact O-CA 3.4Å; Q109-F118 PolarHBondContact N-O 3.16Å; Q109-F118 PolarHBondContact O-N 3.33Å; Q109-F120 HydrophobicContact CB-CE2 4.1Å; Q109-F120 HydrophobicContact CG-CD2 4.25Å; Q109-F120 HydrophobicContact CG-CE2 3.98Å
110Y80.1Confident83.1Confident108 Ų10864.6 Ų64.642%0.42430%0.3SS..EExtended strand (participates in β ladder)trans-85.4116.1167.4-178.3-104.6000108.4E112 K115 H117Y110-E112 PolarHBondContact O-N 3.25Å; Y110-K115 WeakPolarHBondContact OH-CA 3.3Å; Y110-H117 AromaticContact CD2-CD2 3.92Å; Y110-H117 AromaticContact CD2-CE1 3.71Å; Y110-H117 AromaticContact CD2-ND1 3.93Å; Y110-H117 AromaticContact CD2-NE2 3.73Å
111L76.4Confident82.8Confident51 Ų5164.6 Ų64.627%0.26730%0.3SS..EExtended strand (participates in β ladder)trans-90104.6173.9-77.1105.2000109.4E113 K114 K115 E116 F118L111-E113 PolarHBondContact O-N 3.32Å; L111-K114 HydrophobicContact CB-CB 4.44Å; L111-K114 CarbonylContact O-C 3.54Å; L111-K114 PolarHBondContact O-N 3.41Å; L111-K114 VanDerWaalsContact O-N 3.09Å; L111-K115 WeakPolarHBondContact O-CA 3.34Å; L111-K115 PolarHBondContact O-N 3.12Å; L111-E116 PolarHBondContact N-O 3.32Å; L111-E116 PolarHBondContact O-N 3.15Å; L111-F118 HydrophobicContact CD1-CB 3.15Å; L111-F118 HydrophobicContact CD1-CD2 4.35Å; L111-F118 HydrophobicContact CD1-CG 3.81Å
112E73.4Confident82.4Confident148 Ų14869.8 Ų69.869%0.69233%0.325SS*.THydrogen-bonded Turntrans-50.8-42.4176.6-158.590.5-137.600112Y110 K114 K115Y110-E112 PolarHBondContact O-N 3.25Å; E112-K114 VanDerWaalsContact C-N 3.29Å; E112-K114 PolarHBondContact O-N 3.11Å; E112-K115 WeakPolarHBondContact O-CG 3.31Å; E112-K115 PolarHBondContact O-N 3.19Å; E112-K115 VanDerWaalsContact O-N 3.15Å
113E75.6Confident82.1Confident185 Ų18567.5 Ų67.586%0.86432%0.324SS*.THydrogen-bonded Turntrans-58.5-38.5-179.6-63.9178.5179.200113L111L111-E113 PolarHBondContact O-N 3.32Å
114K70.8Confident82.1Confident109 Ų10969.6 Ų69.647%0.47433%0.333SS..THydrogen-bonded Turntrans-96.5-10.3179.7-66.6-170.2176.8-176.30112.7L111 E112 E116L111-K114 HydrophobicContact CB-CB 4.44Å; L111-K114 CarbonylContact O-C 3.54Å; L111-K114 PolarHBondContact O-N 3.41Å; L111-K114 VanDerWaalsContact O-N 3.09Å; E112-K114 VanDerWaalsContact C-N 3.29Å; E112-K114 PolarHBondContact O-N 3.11Å; K114-E116 HydrophobicContact CB-CB 4.24Å; K114-E116 PolarHBondContact O-N 3.24Å
115K76.9Confident82.2Confident163 Ų16368.7 Ų68.771%0.70933%0.332SS*.THydrogen-bonded Turntrans49.733.5-167.9-59.5-174.4176.5-176.20112.9Y110 L111 E112Y110-K115 WeakPolarHBondContact OH-CA 3.3Å; L111-K115 WeakPolarHBondContact O-CA 3.34Å; L111-K115 PolarHBondContact O-N 3.12Å; E112-K115 WeakPolarHBondContact O-CG 3.31Å; E112-K115 PolarHBondContact O-N 3.19Å; E112-K115 VanDerWaalsContact O-N 3.15Å
116E76.8Confident82.5Confident92 Ų9270.6 Ų70.643%0.4334%0.338SS..EExtended strand (participates in β ladder)trans-131.5144.8-176.2-76.4-176.2177.900110.5L111 K114L111-E116 PolarHBondContact N-O 3.32Å; L111-E116 PolarHBondContact O-N 3.15Å; K114-E116 HydrophobicContact CB-CB 4.24Å; K114-E116 PolarHBondContact O-N 3.24Å
117H81.1Confident82.7Confident28 Ų2872 Ų7213%0.1335%0.347CS..EExtended strand (participates in β ladder)trans-72.6143.6167.1-67.492.2000109.4I33 F34 S37 I72 I108 Q109 Y110I33-H117 HydrophobicContact CG2-CB 4.14Å; F34-H117 AromaticContact CD1-CE1 3.81Å; F34-H117 AromaticContact CE1-CE1 3.61Å; S37-H117 WeakPolarHBondContact CB-CD2 3.43Å; S37-H117 VanDerWaalsContact CB-NE2 3.31Å; S37-H117 WeakPolarHBondContact CB-NE2 3.18Å; S37-H117 PolarHBondContact OG-CD2 2.94Å; S37-H117 VanDerWaalsContact OG-CD2 3.28Å; S37-H117 PolarHBondContact OG-NE2 3.12Å; I72-H117 HydrophobicContact CB-CB 4.48Å; I72-H117 WeakPolarHBondContact CB-O 3.09Å; I72-H117 HydrophobicContact CD1-CB 4.46Å; I72-H117 HydrophobicContact CG2-CB 3.77Å; I108-H117 HydrophobicContact CG2-CB 4.28Å; Q109-H117 CarbonylContact O-C 3.59Å; Q109-H117 WeakPolarHBondContact O-CA 3.4Å; Y110-H117 AromaticContact CD2-CD2 3.92Å; Y110-H117 AromaticContact CD2-CE1 3.71Å; Y110-H117 AromaticContact CD2-ND1 3.93Å; Y110-H117 AromaticContact CD2-NE2 3.73Å
118F85.3Confident83Confident14 Ų1472.8 Ų72.86%0.06135%0.346CS..EExtended strand (participates in β ladder)trans-137.9131.1-178.5-154.6-84.9000109.7Y62 S73 K75 I108 Q109 L111 F120Y62-F118 HydrophobicContact CD1-CZ 4.17Å; Y62-F118 HydrophobicContact CG-CZ 4.37Å; S73-F118 WeakPolarHBondContact O-CA 3.24Å; K75-F118 HydrophobicContact CB-CE1 3.58Å; K75-F118 HydrophobicContact CB-CZ 4.18Å; I108-F118 WeakPolarHBondContact CA-O 3.41Å; Q109-F118 PolarHBondContact N-O 3.16Å; Q109-F118 PolarHBondContact O-N 3.33Å; L111-F118 HydrophobicContact CD1-CB 3.15Å; L111-F118 HydrophobicContact CD1-CD2 4.35Å; L111-F118 HydrophobicContact CD1-CG 3.81Å; F118-F120 HydrophobicContact CD1-CE1 4.2Å; F118-F120 HydrophobicContact CD1-CE2 4.24Å; F118-F120 AromaticContact CD1-CZ 3.98Å; F118-F120 HydrophobicContact CD1-CZ 3.98Å; F118-F120 HydrophobicContact CE1-CE1 4.36Å
119A86.7Confident83.3Confident0 Ų074.1 Ų74.10%035%0.352CS..EExtended strand (participates in β ladder)trans-98131.1-179.500000111.2I65 I72 S73 A74 K75 I108 I121I65-A119 HydrophobicContact CD1-CB 3.56Å; I65-A119 HydrophobicContact CG1-CB 4.3Å; I72-A119 HydrophobicContact CD1-CB 3.72Å; I72-A119 HydrophobicContact CG1-CB 4.41Å; S73-A119 PolarHBondContact O-N 3.23Å; A74-A119 CarbonylContact C-O 3.58Å; A74-A119 WeakPolarHBondContact CA-O 3.4Å; A74-A119 HydrophobicContact CB-CB 4.09Å; K75-A119 PolarHBondContact N-O 3.18Å; I108-A119 HydrophobicContact CG1-CB 4.39Å; A119-I121 HydrophobicContact CB-CG1 4.39Å
120F85.9Confident83.7Confident47 Ų4769.7 Ų69.721%0.20633%0.331CS..EExtended strand (participates in β ladder)trans-103.7108.9168-61.6-83.5000107.6K75 V77 Y106 S107 Q109 F118K75-F120 HydrophobicContact CB-CD1 4.39Å; K75-F120 HydrophobicContact CD-CE1 4.44Å; K75-F120 WeakPolarHBondContact O-CA 3.49Å; V77-F120 HydrophobicContact CG2-CB 3.83Å; V77-F120 HydrophobicContact CG2-CD1 4.15Å; V77-F120 HydrophobicContact CG2-CG 4.48Å; Y106-F120 CarbonylContact C-O 3.55Å; Y106-F120 WeakPolarHBondContact CA-O 3.47Å; S107-F120 PolarHBondContact N-O 3.19Å; S107-F120 PolarHBondContact O-N 3Å; Q109-F120 HydrophobicContact CB-CE2 4.1Å; Q109-F120 HydrophobicContact CG-CD2 4.25Å; Q109-F120 HydrophobicContact CG-CE2 3.98Å; F118-F120 HydrophobicContact CD1-CE1 4.2Å; F118-F120 HydrophobicContact CD1-CE2 4.24Å; F118-F120 AromaticContact CD1-CZ 3.98Å; F118-F120 HydrophobicContact CD1-CZ 3.98Å; F118-F120 HydrophobicContact CE1-CE1 4.36Å
121I86.6Confident84.1Confident0 Ų067.1 Ų67.10%032%0.323CS..EExtended strand (participates in β ladder)trans-101.7116.2-176.3-58.4174.4000108.2I65 A74 K75 F76 V77 I103 A119 F124I65-I121 HydrophobicContact CD1-CD1 4.42Å; I65-I121 HydrophobicContact CG2-CD1 3.84Å; A74-I121 HydrophobicContact CB-CD1 3.97Å; K75-I121 PolarHBondContact O-N 2.98Å; F76-I121 CarbonylContact C-O 2.98Å; F76-I121 WeakPolarHBondContact CA-O 3.48Å; F76-I121 HydrophobicContact CD1-CB 3.77Å; F76-I121 HydrophobicContact CD1-CD1 4.47Å; F76-I121 HydrophobicContact CD1-CG2 3.87Å; F76-I121 HydrophobicContact CE1-CB 3.92Å; F76-I121 HydrophobicContact CE1-CD1 3.82Å; F76-I121 HydrophobicContact CE1-CG1 4.46Å; F76-I121 HydrophobicContact CE1-CG2 3.83Å; F76-I121 HydrophobicContact CZ-CD1 4.28Å; V77-I121 PolarHBondContact N-O 3.42Å; I103-I121 HydrophobicContact CD1-CD1 4.43Å; I103-I121 HydrophobicContact CG2-CG2 4.37Å; A119-I121 HydrophobicContact CB-CG1 4.39Å; I121-F124 HydrophobicContact CG2-CB 4.09Å; I121-F124 HydrophobicContact CG2-CD1 3.91Å; I121-F124 HydrophobicContact CG2-CG 4.36Å
122E83.7Confident84.4Confident109 Ų10965.8 Ų65.851%0.50932%0.317SS..EExtended strand (participates in β ladder)trans-88.4-40.6177-62.2-179.3169.800110.9V77 S105V77-E122 HydrophobicContact CB-CG 4.32Å; S105-E122 PolarHBondContact O-N 3.14Å; S105-E122 PolarHBondContact OG-OE2 2.94Å
123S85.5Confident84.7Confident51 Ų5163.2 Ų63.236%0.35731%0.308SS..EExtended strand (participates in β ladder)trans-147.2140.2-177.9-173.10000111.6L104 S105L104-S123 PolarHBondContact N-O 3.37Å; S105-S123 PolarHBondContact N-O 2.88Å; S105-S123 VanDerWaalsContact N-O 3.13Å; S105-S123 PolarHBondContact O-N 3.47Å
124F89.7Confident84.8Confident44 Ų4454.9 Ų54.919%0.19327%0.271CS..EExtended strand (participates in β ladder)trans-153.3161.7176.171.5-78000110.4L56 F76 I101 R102 I121 I126L56-F124 HydrophobicContact CD2-CE2 4.25Å; F76-F124 AromaticContact CD1-CD1 3.9Å; F76-F124 HydrophobicContact CD1-CD1 3.9Å; F76-F124 AromaticContact CD1-CE1 3.56Å; F76-F124 HydrophobicContact CD1-CE1 3.56Å; F76-F124 HydrophobicContact CD1-CZ 4.46Å; F76-F124 AromaticContact CE1-CD1 3.5Å; F76-F124 HydrophobicContact CE1-CD1 3.5Å; F76-F124 AromaticContact CE1-CE1 3.23Å; F76-F124 HydrophobicContact CE1-CE1 3.23Å; F76-F124 HydrophobicContact CE1-CG 4.31Å; F76-F124 AromaticContact CE1-CZ 3.83Å; F76-F124 HydrophobicContact CE1-CZ 3.83Å; F76-F124 HydrophobicContact CZ-CE1 4.02Å; F76-F124 HydrophobicContact CZ-CZ 4.19Å; I101-F124 HydrophobicContact CB-CD2 4.13Å; I101-F124 HydrophobicContact CD1-CD2 4.34Å; I101-F124 HydrophobicContact CG2-CD2 3.86Å; I101-F124 HydrophobicContact CG2-CE2 4.19Å; R102-F124 CarbonylContact O-C 3.52Å; R102-F124 WeakPolarHBondContact O-CA 3.38Å; I121-F124 HydrophobicContact CG2-CB 4.09Å; I121-F124 HydrophobicContact CG2-CD1 3.91Å; I121-F124 HydrophobicContact CG2-CG 4.36Å; F124-I126 HydrophobicContact CD2-CG1 4.19Å; F124-I126 HydrophobicContact CE2-CD1 4.11Å; F124-I126 HydrophobicContact CE2-CG1 3.69Å
125S89.5Confident85.1Confident44 Ų4453.1 Ų53.131%0.30827%0.269SS..EExtended strand (participates in β ladder)trans-122.9139.2172.858.50000110.2I101 R102I101-S125 CarbonylContact C-O 3.54Å; I101-S125 VanDerWaalsContact CA-O 3.23Å; I101-S125 WeakPolarHBondContact CA-O 3.31Å; R102-S125 PolarHBondContact N-O 3.28Å; R102-S125 PolarHBondContact O-N 3.33Å; R102-S125 PolarHBondContact O-OG 3.46Å
126I90.7Very high85Confident82 Ų8246.2 Ų46.242%0.42124%0.241SC..EExtended strand (participates in β ladder)trans-89.7125.1175.8-61.2170.6000108P85 W99 I101 F124P85-I126 HydrophobicContact CB-CD1 3.55Å; P85-I126 HydrophobicContact CG-CD1 3.98Å; W99-I126 HydrophobicContact CB-CG2 4.33Å; W99-I126 HydrophobicContact CG-CG2 4.39Å; I101-I126 HydrophobicContact CG2-CG1 4.14Å; F124-I126 HydrophobicContact CD2-CG1 4.19Å; F124-I126 HydrophobicContact CE2-CD1 4.11Å; F124-I126 HydrophobicContact CE2-CG1 3.69Å
127I90.9Very high85Confident69 Ų6942.2 Ų42.235%0.35422%0.222SC..EExtended strand (participates in β ladder)trans-94.4-48178.6-63.4154.8000109.9F53 L100 R102F53-I127 HydrophobicContact CD1-CD1 3.37Å; F53-I127 HydrophobicContact CE1-CD1 3.28Å; L100-I127 HydrophobicContact CD2-CB 4.46Å; L100-I127 HydrophobicContact CD2-CD1 4.48Å; L100-I127 HydrophobicContact CD2-CG2 4.26Å; L100-I127 HydrophobicContact CG-CB 4.24Å; L100-I127 HydrophobicContact CG-CD1 4.05Å; L100-I127 WeakPolarHBondContact O-CB 3.47Å; L100-I127 PolarHBondContact O-N 3.42Å; R102-I127 HydrophobicContact CB-CD1 3.9Å
128Q90.8Very high84.1Confident63 Ų6342.7 Ų42.729%0.29423%0.229SC..EExtended strand (participates in β ladder)trans-153.3138.2-177-172.2168.823.200111.4Q25 W99 L100Q25-Q128 VanDerWaalsContact CD-OE1 3.27Å; W99-Q128 CarbonylContact C-O 3.56Å; W99-Q128 WeakPolarHBondContact CA-O 3.49Å; L100-Q128 PolarHBondContact N-O 3.41Å; L100-Q128 PolarHBondContact O-N 3.48Å
129E91.5Very high82.5Confident46 Ų4648.1 Ų48.122%0.21525%0.254CS..EExtended strand (participates in β ladder)trans-89.9138.9164.8179.9-175.9173.500109.8C87 S88 C97 H131C87-E129 VanDerWaalsContact CA-OE1 3.25Å; C87-E129 WeakPolarHBondContact CA-OE1 3.41Å; C87-E129 PolarHBondContact SG-OE1 2.99Å; S88-E129 WeakPolarHBondContact CB-OE2 3.29Å; S88-E129 PolarHBondContact N-OE1 3.21Å; S88-E129 PolarHBondContact N-OE2 3.27Å; S88-E129 VanDerWaalsContact N-OE2 3.15Å; S88-E129 PolarHBondContact OG-OE1 3.07Å; S88-E129 PolarHBondContact OG-OE2 2.74Å; C97-E129 PolarHBondContact SG-OE1 3.1Å; C97-E129 VanDerWaalsContact SG-OE1 3.42Å; E129-H131 IonicContact OE1-CE1 3.62Å; E129-H131 PolarHBondContact OE1-CE1 2.98Å; E129-H131 IonicContact OE1-NE2 2.54Å; E129-H131 PolarHBondContact OE1-NE2 3.34Å; E129-H131 VanDerWaalsContact OE1-NE2 3.15Å
130F90.1Very high80.7Confident10 Ų1052 Ų524%0.04427%0.273CS..EExtended strand (participates in β ladder)trans-147.4162175.664.2-88.6000112.4L22 L26 V55 F98 L100 T132 F137L22-F130 HydrophobicContact CD1-CB 4.16Å; L22-F130 HydrophobicContact CD1-CD1 3.86Å; L22-F130 HydrophobicContact CD1-CE1 4.38Å; L22-F130 HydrophobicContact CD1-CG 4Å; L22-F130 HydrophobicContact CD2-CB 3.47Å; L22-F130 VanDerWaalsContact CD2-CB 3.47Å; L22-F130 HydrophobicContact CD2-CD1 4.2Å; L22-F130 HydrophobicContact CD2-CD2 3.54Å; L22-F130 HydrophobicContact CD2-CE2 4.24Å; L22-F130 HydrophobicContact CD2-CG 3.49Å; L22-F130 VanDerWaalsContact CD2-CG 3.49Å; L22-F130 HydrophobicContact CG-CB 4.47Å; L22-F130 HydrophobicContact CG-CG 4.37Å; L26-F130 HydrophobicContact CD1-CZ 4.42Å; L26-F130 HydrophobicContact CD2-CE1 4.35Å; L26-F130 HydrophobicContact CD2-CZ 4.28Å; V55-F130 HydrophobicContact CG1-CE1 4.32Å; V55-F130 HydrophobicContact CG1-CZ 3.72Å; V55-F130 HydrophobicContact CG2-CZ 4.19Å; F98-F130 HydrophobicContact CB-CD1 4.35Å; F98-F130 HydrophobicContact CB-CD2 4.01Å; F98-F130 HydrophobicContact CB-CE1 3.9Å; F98-F130 HydrophobicContact CB-CE2 3.55Å; F98-F130 HydrophobicContact CB-CG 4.41Å; F98-F130 HydrophobicContact CB-CZ 3.49Å; F98-F130 VanDerWaalsContact CB-CZ 3.49Å; F98-F130 HydrophobicContact CD2-CE2 4.26Å; F98-F130 HydrophobicContact CG-CE2 4.13Å; F98-F130 HydrophobicContact CG-CZ 4.36Å; F98-F130 PolarHBondContact N-O 3.07Å; F98-F130 PolarHBondContact O-N 3.18Å; L100-F130 HydrophobicContact CB-CE1 4.24Å; F130-T132 HydrophobicContact CD2-CG2 4.1Å; F130-T132 HydrophobicContact CE2-CG2 3.94Å; F130-F137 AromaticContact CE2-CZ 3.86Å; F130-F137 HydrophobicContact CE2-CZ 3.86Å; F130-F137 HydrophobicContact CZ-CZ 4.07Å
131H87.4Confident78.4Confident54 Ų5457 Ų5725%0.2530%0.301CS..EExtended strand (participates in β ladder)trans-128.2124.7-173.7-55.897.8000110.3C87 R89 I91 T96 C97 E129C87-H131 PolarHBondContact SG-NE2 3.18Å; R89-H131 VanDerWaalsContact CD-CE1 3.47Å; R89-H131 WeakPolarHBondContact CD-CE1 3.42Å; I91-H131 VanDerWaalsContact CD1-CD2 3.49Å; I91-H131 WeakPolarHBondContact CD1-CD2 3.35Å; T96-H131 VanDerWaalsContact O-CA 3.23Å; T96-H131 WeakPolarHBondContact O-CA 3.13Å; C97-H131 PolarHBondContact SG-NE2 3.24Å; C97-H131 VanDerWaalsContact SG-NE2 3.35Å; E129-H131 IonicContact OE1-CE1 3.62Å; E129-H131 PolarHBondContact OE1-CE1 2.98Å; E129-H131 IonicContact OE1-NE2 2.54Å; E129-H131 PolarHBondContact OE1-NE2 3.34Å; E129-H131 VanDerWaalsContact OE1-NE2 3.15Å
132T83.6Confident75.8Confident23 Ų2360.3 Ų60.314%0.14134%0.335CS..  trans-158164.8-179-175.20000109.4T96 F98 F130 V136 F137T96-T132 WeakPolarHBondContact CA-O 2.99Å; T96-T132 PolarHBondContact O-N 3.35Å; T96-T132 VanDerWaalsContact O-N 3.16Å; F98-T132 HydrophobicContact CD2-CG2 3.77Å; F98-T132 HydrophobicContact CE2-CG2 3.86Å; F98-T132 WeakPolarHBondContact CE2-O 3.32Å; F130-T132 HydrophobicContact CD2-CG2 4.1Å; F130-T132 HydrophobicContact CE2-CG2 3.94Å; T132-V136 WeakPolarHBondContact OG1-CG2 3.47Å; T132-F137 HydrophobicContact CG2-CE2 3.9Å; T132-F137 HydrophobicContact CG2-CZ 4.15Å
133D80.6Confident73.4Confident94 Ų9456.3 Ų56.350%0.50332%0.318SS..  trans-72.3138.4166.6-174.7-6.6000110T135 V136D133-T135 PolarHBondContact O-N 2.79Å; D133-T135 WeakPolarHBondContact OD1-CG2 3.09Å; D133-T135 PolarHBondContact OD1-N 3.41Å; D133-T135 VanDerWaalsContact OD1-N 3.08Å; D133-T135 PolarHBondContact OD1-OG1 3.41Å; D133-T135 WeakPolarHBondContact OD2-CG2 3.19Å; D133-T135 PolarHBondContact OD2-OG1 2.86Å; D133-V136 WeakPolarHBondContact O-CB 3.21Å; D133-V136 WeakPolarHBondContact O-CG2 3.41Å; D133-V136 PolarHBondContact O-N 3.01Å; D133-V136 VanDerWaalsContact O-N 3.14Å
134A77.4Confident70.8Confident11 Ų1157.7 Ų57.79%0.09132%0.324CS..THydrogen-bonded Turntrans-60.2-19.7174.700000113.7E95 F98 V136 F137 S138E95-A134 HydrophobicContact CB-CB 3.88Å; E95-A134 HydrophobicContact CG-CB 4.39Å; E95-A134 PolarHBondContact O-N 3.33Å; F98-A134 HydrophobicContact CZ-CB 4.1Å; A134-V136 PolarHBondContact O-N 3.06Å; A134-V136 VanDerWaalsContact O-N 3.12Å; A134-F137 PolarHBondContact O-N 2.9Å; A134-S138 PolarHBondContact O-N 3.04Å; A134-S138 PolarHBondContact O-OG 3.39Å
135T76.7Confident68.1Low72 Ų7263 Ų6344%0.44235%0.349SS..Hα-helixtrans-55.9-26.7172.957.50000112.7D133 F137 S138D133-T135 PolarHBondContact O-N 2.79Å; D133-T135 WeakPolarHBondContact OD1-CG2 3.09Å; D133-T135 PolarHBondContact OD1-N 3.41Å; D133-T135 VanDerWaalsContact OD1-N 3.08Å; D133-T135 PolarHBondContact OD1-OG1 3.41Å; D133-T135 WeakPolarHBondContact OD2-CG2 3.19Å; D133-T135 PolarHBondContact OD2-OG1 2.86Å; T135-F137 PolarHBondContact O-N 2.88Å; T135-S138 WeakPolarHBondContact O-CB 3.49Å; T135-S138 PolarHBondContact O-N 3.1Å; T135-S138 VanDerWaalsContact O-N 3.07Å
136V75Confident65.4Low18 Ų1862.2 Ų62.211%0.10935%0.345CS..Hα-helixtrans-62.1-32.3174.7179.10000112C16 V17 T132 D133 A134C16-V136 HydrophobicContact CB-CG1 3.96Å; V17-V136 HydrophobicContact CG2-CG1 3.77Å; T132-V136 WeakPolarHBondContact OG1-CG2 3.47Å; D133-V136 WeakPolarHBondContact O-CB 3.21Å; D133-V136 WeakPolarHBondContact O-CG2 3.41Å; D133-V136 PolarHBondContact O-N 3.01Å; D133-V136 VanDerWaalsContact O-N 3.14Å; A134-V136 PolarHBondContact O-N 3.06Å; A134-V136 VanDerWaalsContact O-N 3.12Å
137F76.5Confident62.7Low7 Ų759.3 Ų59.33%0.03133%0.33CS..Hα-helixtrans-89.1-10.7175.9-51.5-72.7000113.4W13 V55 Y66 W71 F98 F130 T132 A134 T135 Q139W13-F137 HydrophobicContact CE3-CD1 4.34Å; W13-F137 HydrophobicContact CH2-CD1 4.14Å; W13-F137 AromaticContact CH2-CE1 3.78Å; W13-F137 HydrophobicContact CH2-CE1 3.78Å; W13-F137 AromaticContact CZ3-CD1 3.68Å; W13-F137 HydrophobicContact CZ3-CD1 3.68Å; W13-F137 AromaticContact CZ3-CE1 3.55Å; W13-F137 HydrophobicContact CZ3-CE1 3.55Å; V55-F137 HydrophobicContact CB-CE1 4.49Å; V55-F137 HydrophobicContact CG1-CE1 4.16Å; V55-F137 HydrophobicContact CG1-CZ 3.92Å; V55-F137 HydrophobicContact CG2-CE1 4.19Å; Y66-F137 AromaticContact CD1-CD1 3.84Å; Y66-F137 HydrophobicContact CD1-CD1 3.84Å; Y66-F137 HydrophobicContact CD1-CE1 4.37Å; Y66-F137 HydrophobicContact CE1-CB 4.5Å; Y66-F137 AromaticContact CE1-CD1 3.76Å; Y66-F137 HydrophobicContact CE1-CD1 3.76Å; W71-F137 HydrophobicContact CZ2-CB 4.11Å; W71-F137 HydrophobicContact CZ2-CD1 4.28Å; W71-F137 AromaticContact CZ2-CD2 3.9Å; W71-F137 HydrophobicContact CZ2-CD2 3.9Å; W71-F137 HydrophobicContact CZ2-CE2 4.38Å; W71-F137 AromaticContact CZ2-CG 3.84Å; W71-F137 HydrophobicContact CZ2-CG 3.84Å; F98-F137 AromaticContact CD1-CE2 3.77Å; F98-F137 HydrophobicContact CD1-CE2 3.77Å; F98-F137 HydrophobicContact CD1-CZ 4.19Å; F98-F137 AromaticContact CD2-CE2 3.95Å; F98-F137 HydrophobicContact CD2-CE2 3.95Å; F98-F137 HydrophobicContact CD2-CZ 4.43Å; F98-F137 HydrophobicContact CE1-CD2 4.06Å; F98-F137 AromaticContact CE1-CE2 3.56Å; F98-F137 HydrophobicContact CE1-CE2 3.56Å; F98-F137 HydrophobicContact CE1-CZ 4.4Å; F98-F137 AromaticContact CE2-CE2 3.75Å; F98-F137 HydrophobicContact CE2-CE2 3.75Å; F98-F137 AromaticContact CG-CE2 3.96Å; F98-F137 HydrophobicContact CG-CE2 3.96Å; F98-F137 HydrophobicContact CG-CZ 4.2Å; F98-F137 HydrophobicContact CZ-CD2 4.04Å; F98-F137 AromaticContact CZ-CE2 3.55Å; F98-F137 HydrophobicContact CZ-CE2 3.55Å; F130-F137 AromaticContact CE2-CZ 3.86Å; F130-F137 HydrophobicContact CE2-CZ 3.86Å; F130-F137 HydrophobicContact CZ-CZ 4.07Å; T132-F137 HydrophobicContact CG2-CE2 3.9Å; T132-F137 HydrophobicContact CG2-CZ 4.15Å; A134-F137 PolarHBondContact O-N 2.9Å; T135-F137 PolarHBondContact O-N 2.88Å; F137-Q139 VanDerWaalsContact C-N 3.3Å
138S62.5Low60Low39 Ų3959.8 Ų59.827%0.27333%0.334SS..Hα-helixtrans-79.7-13.5-178.1-58.50000112.9A134 T135 M140 I147A134-S138 PolarHBondContact O-N 3.04Å; A134-S138 PolarHBondContact O-OG 3.39Å; T135-S138 WeakPolarHBondContact O-CB 3.49Å; T135-S138 PolarHBondContact O-N 3.1Å; T135-S138 VanDerWaalsContact O-N 3.07Å; S138-M140 VanDerWaalsContact C-N 3.3Å; S138-M140 PolarHBondContact O-N 3.49Å; S138-I147 WeakPolarHBondContact OG-CD1 3.46Å
139Q50.7Low57.3Low128 Ų12861.9 Ų61.960%0.59835%0.347SS*.THydrogen-bonded Turntrans-77.84.4-166.3-74.5-172.25.200116.2C16 F137C16-Q139 PolarHBondContact SG-OE1 3.23Å; F137-Q139 VanDerWaalsContact C-N 3.3Å
140M49Very low54.5Low82 Ų8263.8 Ų63.840%0.40436%0.362SS..SBendtrans-139.4116-179.6-64.1-165.580.900113.9W13 S138W13-M140 HydrophobicContact CB-SD 3.71Å; S138-M140 VanDerWaalsContact C-N 3.3Å; S138-M140 PolarHBondContact O-N 3.49Å
141I37.5Very low51.7Low152 Ų15267.8 Ų67.878%0.77938%0.384SS*.SBendtrans5093.2144.7-46.1174.1000116.2
142G33.4Very low49Very low69 Ų6972.7 Ų72.771%0.71141%0.405SS*.SBendtrans106-6.8153.300000118.1
143V33.3Very low46.5Very low25 Ų2578.4 Ų78.415%0.15243%0.434CS..  trans-121.87.5-174.6-165.60000113.2L70 E145 A146L70-V143 HydrophobicContact CD1-CG1 4.34Å; L70-V143 HydrophobicContact CD1-CG2 3.4Å; L70-V143 VanDerWaalsContact CD1-CG2 3.4Å; V143-E145 PolarHBondContact O-N 2.57Å; V143-A146 HydrophobicContact CG1-CB 3.73Å; V143-A146 PolarHBondContact O-N 3.44Å
144T29.9Very low43.9Very low80 Ų8082.4 Ų82.449%0.49145%0.449SS..Hα-helixtrans-58.1-18.5174.8-23.90000112.2N148T144-N148 WeakPolarHBondContact O-CB 3.18Å; T144-N148 PolarHBondContact O-N 2.85Å; T144-N148 PolarHBondContact O-ND2 2.8Å
145E34.1Very low41.5Very low154 Ų15487.9 Ų87.972%0.7248%0.476SS*.Hα-helixtrans-73.8-33.2173.3-69.9-175.1162.400113.6V143 N149V143-E145 PolarHBondContact O-N 2.57Å; E145-N149 VanDerWaalsContact O-CB 3.29Å; E145-N149 WeakPolarHBondContact O-CB 3.31Å; E145-N149 PolarHBondContact O-N 2.82Å; E145-N149 VanDerWaalsContact O-N 3.09Å; E145-N149 PolarHBondContact O-ND2 2.86Å
146A31.9Very low39.1Very low28 Ų2893 Ų9323%0.23150%0.499CS..Hα-helixtrans-75.6-36.3-178.200000112.9V143 T150V143-A146 HydrophobicContact CG1-CB 3.73Å; V143-A146 PolarHBondContact O-N 3.44Å; A146-T150 PolarHBondContact O-OG1 3.04Å
147I34.5Very low36.8Very low21 Ų2196.7 Ų96.711%0.10853%0.526CS..Hα-helixtrans-77.8-35.5178.6-56.5176000110.7S138 T150S138-I147 WeakPolarHBondContact OG-CD1 3.46Å; I147-T150 PolarHBondContact O-OG1 3.38Å
148N33.7Very low34.3Very low80 Ų80107.9 Ų107.943%0.42857%0.568SS.*Hα-helixtrans-76-26.5178.1-79.4-32.5000113.9T144 K152T144-N148 WeakPolarHBondContact O-CB 3.18Å; T144-N148 PolarHBondContact O-N 2.85Å; T144-N148 PolarHBondContact O-ND2 2.8Å; N148-K152 PolarHBondContact O-N 3.27Å
149N33.3Very low32.4Very low107 Ų107110.5 Ų110.557%0.57259%0.587SS**Hα-helixtrans-74.7-25.5177.4-76.1-12.6000113.2E145E145-N149 VanDerWaalsContact O-CB 3.29Å; E145-N149 WeakPolarHBondContact O-CB 3.31Å; E145-N149 PolarHBondContact O-N 2.82Å; E145-N149 VanDerWaalsContact O-N 3.09Å; E145-N149 PolarHBondContact O-ND2 2.86Å
150T33Very low31.1Very low85 Ų85109.9 Ų109.952%0.52159%0.594SS.*Hα-helixtrans-79.5-33.4176.628.20000112.6A146 I147A146-T150 PolarHBondContact O-OG1 3.04Å; I147-T150 PolarHBondContact O-OG1 3.38Å
151N31.6Very low30Very low95 Ų95112.3 Ų112.351%0.50861%0.613SS.*Hα-helixtrans-86.3-17.2-178.8-76.3-32.6000115.3
152K30.6Very low29.4Very low157 Ų157116.6 Ų116.668%0.68362%0.619SS**Hα-helixtrans-81.9-22.4177.6-76.6-176.3179.3178.10114.5N148 H154N148-K152 PolarHBondContact O-N 3.27Å; K152-H154 VanDerWaalsContact C-N 3.33Å; K152-H154 PolarHBondContact O-N 3.14Å
153N30.5Very low29.1Very low143 Ų143122.9 Ų122.977%0.76563%0.627SS**SBendtrans-84.2-1.6-176.1-75.5-15.1000115
154H27.5Very low28.6Very low177 Ų177131.3 Ų131.382%0.81966%0.662SS**SBendtrans-120.50.4178.9-110.9-69000116K152K152-H154 VanDerWaalsContact C-N 3.33Å; K152-H154 PolarHBondContact O-N 3.14Å
155I26.1Very low28.3Very low127 Ų127133.2 Ų133.265%0.65167%0.673SS**  trans-106.977.2173.7-49.1177.5000108S157I155-S157 PolarHBondContact O-N 3.33Å
156L27.3Very low28Very low178 Ų178133.8 Ų133.893%0.93268%0.68SS**  trans-60.686.8149.5-85.4160.7000106.2R158L156-R158 VanDerWaalsContact C-N 3.26Å; L156-R158 PolarHBondContact O-N 2.87Å
157S24.9Very low27.6Very low97 Ų97137.6 Ų137.668%0.67870%0.702SS**  trans-6394.4171.346.60000107.1I155 S159I155-S157 PolarHBondContact O-N 3.33Å; S157-S159 PolarHBondContact O-N 3.19Å
158R24.2Very low27.2Very low241 Ų241146.8 Ų146.891%0.90974%0.741SS**  trans-51.5100.4152.2-101.8-176.6170.5-159.8-1.6105.6L156 P160L156-R158 VanDerWaalsContact C-N 3.26Å; L156-R158 PolarHBondContact O-N 2.87Å; R158-P160 VanDerWaalsContact O-CD 3.32Å; R158-P160 WeakPolarHBondContact O-CD 3.47Å
159S22.8Very low26.8Very low94 Ų94152.8 Ų152.866%0.65776%0.763SS**  trans-58.1124.4177.662.80000108.1S157 V161S157-S159 PolarHBondContact O-N 3.19Å; S159-V161 PolarHBondContact O-N 2.89Å; S159-V161 VanDerWaalsContact O-N 3.16Å
160P24.6Very low26.4Very low115 Ų115157.8 Ų157.875%0.74778%0.78SS**  trans-69.6114.4169.9-12.927.6000107R158 R162R158-P160 VanDerWaalsContact O-CD 3.32Å; R158-P160 WeakPolarHBondContact O-CD 3.47Å; P160-R162 VanDerWaalsContact C-N 3.25Å; P160-R162 PolarHBondContact O-N 3.22Å
161V25.9Very low25.8Very low134 Ų134165.3 Ų165.381%0.81280%0.799SS**  trans-61.791.5167.7178.70000107.4S159 K163S159-V161 PolarHBondContact O-N 2.89Å; S159-V161 VanDerWaalsContact O-N 3.16Å; V161-K163 PolarHBondContact O-N 3.26Å; V161-K163 VanDerWaalsContact O-N 3.09Å
162R24.4Very low25.6Very low241 Ų241167.3 Ų167.391%0.90981%0.814SS**  trans-69.2103.9175.4-110.1179.8177.5162.2-0.1108.3P160P160-R162 VanDerWaalsContact C-N 3.25Å; P160-R162 PolarHBondContact O-N 3.22Å
163K26.3Very low25.4Very low201 Ų201167.2 Ų167.287%0.87482%0.821SS**PPolyproline II helixtrans-61140.4164.5-80.8-178.9175.81780109.7V161V161-K163 PolarHBondContact O-N 3.26Å; V161-K163 VanDerWaalsContact O-N 3.09Å
164K24.4Very low25.1Very low203 Ų203165.1 Ų165.188%0.88382%0.824SS**PPolyproline II helixtrans-56144-169-73.6176.1173.9177.40114.9
165T22.1Very low25.1Very low119 Ų119163.9 Ų163.973%0.7382%0.823SS**PPolyproline II helixtrans-51.7140.9168.9-25.20000114.6
166I27.9Very low25Very low167 Ų167167.1 Ų167.186%0.85683%0.833SS**  trans-138.7116.9139.9-57.7-177.9000108.5
167P23.7Very low25Very low107 Ų107165.6 Ų165.670%0.69583%0.825SS**  trans-92144.2-175.234-31.2000113.1
168K27.2Very low25Very low214 Ų214170 Ų17093%0.9383%0.833SS**  trans-106.3120.3167.4-77.7-173.4177.2179.30110.6
169K24.1Very low25Very low207 Ų207163.8 Ų163.890%0.982%0.824SS**  trans-59.6139174.6-69.3171.3173.91730112
170K25.1Very low25.2Very low211 Ų211166.3 Ų166.392%0.91783%0.831SS**  trans-143124.3141.8-98.4-173.6177.9-178.30109
171R21Very low25.3Very low244 Ų244169.6 Ų169.692%0.92183%0.834SS**  trans-74.3132.5175.2-72.9172167.2162.8-6.4109.1
172V26.4Very low25.3Very low137 Ų137168.9 Ų168.983%0.8383%0.832SS**  trans-146.9148.5154.4-179.30000107.8
173D27.4Very low25.3Very low154 Ų154168.6 Ų168.682%0.82483%0.831SS**  trans-66.6157.9-152.1-61.4-67.9000118.8
174A24.7Very low25.2Very low100 Ų100164.6 Ų164.683%0.82683%0.828SS**  trans-63.2128.6173.100000111.9
175N26Very low25.2Very low151 Ų151161.1 Ų161.181%0.80783%0.828SS**  trans-129.3131.1154.3-155.3-2.9000110.9N177N175-N177 PolarHBondContact O-N 3.22Å
176K24.7Very low25.3Very low194 Ų194159.9 Ų159.984%0.84382%0.824SS**  trans-84.893-166.2-71.1169.9174.5171.10110.5
177N27.7Very low25.2Very low146 Ų146159 Ų15978%0.78182%0.821SS**  trans-117.8102161.3-73-15.5000109.2N175 C179N175-N177 PolarHBondContact O-N 3.22Å; N177-C179 PolarHBondContact O-N 3.33Å
178K23.7Very low25.2Very low191 Ų191162.1 Ų162.183%0.8383%0.83SS**  trans-61.5112.4169.7-75176.9171.7-177.60108.6
179C25.3Very low25.1Very low109 Ų109159.5 Ų159.574%0.73682%0.82SS**  trans-106.9106.2154.2-72.50000106.5N177 F181N177-C179 PolarHBondContact O-N 3.33Å; C179-F181 PolarHBondContact O-N 3.02Å
180D26.3Very low25.2Very low148 Ų148155.1 Ų155.179%0.79181%0.813SS**  trans-67.890.1175.7-69.8-46.1000109.4
181F26.2Very low25.3Very low184 Ų184150.4 Ų150.481%0.80780%0.802SS**  trans-82.6134.2157-88.8-85.9000108.5C179 R183C179-F181 PolarHBondContact O-N 3.02Å; F181-R183 PolarHBondContact O-N 3.3Å; F181-R183 VanDerWaalsContact O-N 3.14Å
182P27.9Very low25.4Very low119 Ų119147.2 Ų147.277%0.77380%0.798SS**  trans-59.1123.3173.623.4-30000109.1S184P182-S184 PolarHBondContact O-N 3.14Å
183R22.6Very low25.4Very low235 Ų235147.2 Ų147.289%0.88779%0.793SS**  trans-33.5121.1175.6-89.2172.2164.7167.3-5.9112.3F181 C185F181-R183 PolarHBondContact O-N 3.3Å; F181-R183 VanDerWaalsContact O-N 3.14Å; R183-C185 PolarHBondContact O-N 2.99Å
184S24.6Very low25.5Very low116 Ų116144.9 Ų144.981%0.81179%0.786SS**  trans-62.1111.6154.1-43.10000107.6P182 S186P182-S184 PolarHBondContact O-N 3.14Å; S184-S186 PolarHBondContact O-N 2.96Å
185C25.3Very low25.7Very low131 Ų131146 Ų14689%0.88579%0.785SS**  trans-60.9109.3169.7-73.40000108.4R183R183-C185 PolarHBondContact O-N 2.99Å
186S24.1Very low25.8Very low92 Ų92148.1 Ų148.164%0.64379%0.79SS**  trans-62138.8171.847.90000111.9S184S184-S186 PolarHBondContact O-N 2.96Å
187N24.6Very low26Very low150 Ų150146.6 Ų146.680%0.80279%0.786SS**  trans58.683.7137.3-54.7-21.1000117
188I25.4Very low25.7Very low172 Ų172148.9 Ų148.988%0.88279%0.785SS**  trans-103.7120.7141.2-60.7176.4000106.7
189H24.3Very low25.9Very low158 Ų158145.1 Ų145.173%0.73178%0.783SS**  trans-53.9147.9-179.4-117.4-99000112T191H189-T191 PolarHBondContact O-N 2.99Å
190P25.7Very low26Very low115 Ų115145.6 Ų145.675%0.74779%0.785SS**  trans-70.296.4170.728.9-30.9000108.7E192P190-E192 PolarHBondContact O-N 3.19Å
191T26.8Very low26Very low112 Ų112146.8 Ų146.869%0.68779%0.79SS**  trans-82.594.3166.9-44.80000107.3H189 N193H189-T191 PolarHBondContact O-N 2.99Å; T191-N193 PolarHBondContact O-N 3.37Å; T191-N193 VanDerWaalsContact O-N 3.07Å
192E23.6Very low26.1Very low178 Ų178147.1 Ų147.183%0.83279%0.791SS**  trans-52.7106.6159.3-71.6176.715100108.4P190P190-E192 PolarHBondContact O-N 3.19Å
193N26.5Very low26Very low137 Ų137147.3 Ų147.373%0.73379%0.792SS**  trans-127.1124.8153.4-85.8-48.6000107.6T191T191-N193 PolarHBondContact O-N 3.37Å; T191-N193 VanDerWaalsContact O-N 3.07Å
194P30.1Very low26.2Very low104 Ų104140.8 Ų140.868%0.67578%0.782SS**  trans-62.7156.4178.625.4-31.8000111.3Q196P194-Q196 PolarHBondContact O-N 3.31Å; P194-Q196 VanDerWaalsContact O-N 3.1Å
195P28.3Very low26.4Very low124 Ų124141 Ų14181%0.80578%0.781SS**  trans-63.5113.1-165.224.6-33000111.3
196Q29.1Very low26.4Very low195 Ų195144 Ų14491%0.91178%0.779SS**  trans-76.6128.9171-73.2-163.2-11.800110.5P194P194-Q196 PolarHBondContact O-N 3.31Å; P194-Q196 VanDerWaalsContact O-N 3.1Å
197H27.1Very low26.3Very low162 Ų162145.3 Ų145.375%0.7578%0.784SS**  trans-49.2131.3179.8-89.9-115.3000114
198Y22.8Very low26.2Very low194 Ų194142.9 Ų142.976%0.76178%0.778SS**  trans37.2114141.7-59.9-90.2000119.1
199S26.4Very low26.1Very low112 Ų112143.3 Ų143.378%0.78377%0.774SS**  -137.6126.1127.1-83.90000109.2L201S199-L201 PolarHBondContact O-N 3.09Å; S199-L201 VanDerWaalsContact O-N 3.07Å
200P29.1Very low26.1Very low120 Ų120142.1 Ų142.178%0.77977%0.772SS**  trans-66.8110.5179.8-8.622.9000108.7K202P200-K202 PolarHBondContact O-N 3.32Å; P200-K202 VanDerWaalsContact O-N 3.12Å
201L26.6Very low26.1Very low172 Ų172142.3 Ų142.390%0.90177%0.77SS**PPolyproline II helixtrans-59.9116.7165.9-86.3149.4000107.6S199S199-L201 PolarHBondContact O-N 3.09Å; S199-L201 VanDerWaalsContact O-N 3.07Å
202K26.6Very low26Very low192 Ų192143.3 Ų143.384%0.83577%0.772SS**PPolyproline II helixtrans-47.8129.1177.6-73.3177.5176.5177.50109P200 S204P200-K202 PolarHBondContact O-N 3.32Å; P200-K202 VanDerWaalsContact O-N 3.12Å; K202-S204 PolarHBondContact O-N 2.97Å
203P26.9Very low26.1Very low123 Ų123140.1 Ų140.180%0.79977%0.769SS**PPolyproline II helixtrans-59.9117.2177.723.4-30.6000108.3
204S25.5Very low26.1Very low97 Ų97141.1 Ų141.168%0.67877%0.773SS**PPolyproline II helixtrans-59.2150.8163.358.80000108.4K202 K206K202-S204 PolarHBondContact O-N 2.97Å; S204-K206 PolarHBondContact O-N 2.84Å
205P29.2Very low25.8Very low120 Ų120142.4 Ų142.478%0.77978%0.781SS**  trans-58.3115.9-175.7-15.727.9000108.4T207P205-T207 VanDerWaalsContact C-N 3.34Å; P205-T207 PolarHBondContact O-N 3.1Å
206K25Very low25.6Very low195 Ų195138.9 Ų138.985%0.84877%0.768SS**  trans-57.2102.9167.4-77.6177.3175.8177.50106.7S204 S208S204-K206 PolarHBondContact O-N 2.84Å; K206-S208 PolarHBondContact O-N 3.33Å
207T22.9Very low25.5Very low120 Ų120136.6 Ų136.674%0.73677%0.767SS**  trans-64.293.3159.7-3.80000105.6P205 F209P205-T207 VanDerWaalsContact C-N 3.34Å; P205-T207 PolarHBondContact O-N 3.1Å; T207-F209 PolarHBondContact O-N 3.18Å
208S22.9Very low25.5Very low98 Ų98137.5 Ų137.569%0.68577%0.769SS**  trans-64.4102.6167.852.20000106.6K206 I210K206-S208 PolarHBondContact O-N 3.33Å; S208-I210 PolarHBondContact O-N 3.49Å; S208-I210 VanDerWaalsContact O-N 3.08Å
209F23.8Very low25.6Very low181 Ų181132.7 Ų132.779%0.79477%0.77SS**  trans-63.2110.3158.6-65.6-83.9000106T207 V211T207-F209 PolarHBondContact O-N 3.18Å; F209-V211 VanDerWaalsContact C-N 3.29Å; F209-V211 PolarHBondContact O-N 3.04Å
210I23.9Very low25.7Very low134 Ų134133.7 Ų133.769%0.68777%0.77SS**  trans-65.1101.7164.6-61.4174.2000104.1S208 D212S208-I210 PolarHBondContact O-N 3.49Å; S208-I210 VanDerWaalsContact O-N 3.08Å; I210-D212 WeakPolarHBondContact CG2-OD1 3.4Å; I210-D212 PolarHBondContact O-N 3.38Å
211V24.5Very low25.6Very low118 Ų118135.2 Ų135.272%0.71577%0.772SS**  trans-72.388.9164.6-178.80000104.1F209 S213F209-V211 VanDerWaalsContact C-N 3.29Å; F209-V211 PolarHBondContact O-N 3.04Å; V211-S213 PolarHBondContact O-N 2.89Å
212D26.4Very low25.5Very low134 Ų134136.2 Ų136.272%0.71777%0.769SS**  trans-51.3116.1167.6-78.2-33.1000106.5I210 L214I210-D212 WeakPolarHBondContact CG2-OD1 3.4Å; I210-D212 PolarHBondContact O-N 3.38Å; D212-L214 PolarHBondContact O-N 2.81Å
213S25.6Very low25.7Very low110 Ų110132.6 Ų132.677%0.76977%0.765SS**  trans-58.1113.2-174.3-59.80000108.1V211 P215V211-S213 PolarHBondContact O-N 2.89Å; S213-P215 VanDerWaalsContact O-CD 3.28Å; S213-P215 WeakPolarHBondContact O-CD 3.31Å; S213-P215 VanDerWaalsContact O-N 3.08Å
214L25.4Very low25.7Very low159 Ų159132.6 Ų132.683%0.83276%0.763SS**  trans-47.3114.8173.6-81.2156.5000109D212 G216D212-L214 PolarHBondContact O-N 2.81Å; L214-G216 PolarHBondContact O-N 2.92Å
215P24.8Very low25.9Very low130 Ų130134.5 Ų134.584%0.84477%0.766SS**SBendtrans-75.2128177.121.2-17.4000109.2S213S213-P215 VanDerWaalsContact O-CD 3.28Å; S213-P215 WeakPolarHBondContact O-CD 3.31Å; S213-P215 VanDerWaalsContact O-N 3.08Å
216G24.2Very low25.7Very low50 Ų50139.3 Ų139.352%0.51577%0.77SS.*  trans11652.5163.600000116.5L214 F218L214-G216 PolarHBondContact O-N 2.92Å; G216-F218 PolarHBondContact O-N 3.25Å
217V25.3Very low25.9Very low148 Ų148137.4 Ų137.490%0.89777%0.767SS**  trans-77.391.5157.6-178.30000107.4
218F28.7Very low26.1Very low180 Ų180136.8 Ų136.879%0.78976%0.763SS**  trans-86.3117.6173.1-68.3-79.5000109.7G216 V220G216-F218 PolarHBondContact O-N 3.25Å; F218-V220 PolarHBondContact O-N 2.96Å
219A25.1Very low26.2Very low94 Ų94138 Ų13878%0.77777%0.767SS**  trans-69111.9161.700000107.9D221A219-D221 PolarHBondContact O-N 2.75Å
220V26.8Very low26.4Very low132 Ų132136 Ų13680%0.877%0.765SS**  trans-75.4109.4172.2177.50000107.4F218 K222F218-V220 PolarHBondContact O-N 2.96Å; V220-K222 PolarHBondContact O-N 2.89Å
221D27.1Very low26.3Very low152 Ų152134.8 Ų134.881%0.81377%0.768SS**PPolyproline II helixtrans-56.8120.9171.4-83.1-34.2000109.5A219A219-D221 PolarHBondContact O-N 2.75Å
222K25.5Very low26.5Very low194 Ų194134.8 Ų134.884%0.84377%0.77SS**PPolyproline II helixtrans-57.1127.1178.8-124175.8-177.8176.40108.9V220 T224V220-K222 PolarHBondContact O-N 2.89Å; K222-T224 PolarHBondContact O-N 2.94Å
223P29.5Very low26.5Very low116 Ų116134.5 Ų134.575%0.75377%0.773SS**PPolyproline II helixtrans-60.6126.9177.620.8-29.7000111
224T28Very low26.5Very low122 Ų122135.3 Ų135.375%0.74877%0.773SS**PPolyproline II helixtrans-65.1127.3-174.9-28.50000111.8K222K222-T224 PolarHBondContact O-N 2.94Å
225N29.3Very low26.6Very low138 Ų138134.6 Ų134.674%0.73877%0.769SS**  trans44.290.5151.4-61.6-22000118.5I227N225-I227 PolarHBondContact O-N 3.14Å
226Y26Very low26.7Very low220 Ų220136.3 Ų136.386%0.86377%0.766SS**  trans-69.3117.5147.7-73-82.2000108.7V228Y226-V228 PolarHBondContact O-N 3.41Å
227I28.3Very low26.8Very low155 Ų155141.9 Ų141.980%0.79578%0.783SS**  trans-65.598.2170.3-61.6169.6000106.9N225 T229N225-I227 PolarHBondContact O-N 3.14Å; I227-T229 PolarHBondContact O-N 2.84Å
228V28.1Very low27Very low107 Ų107144.1 Ų144.165%0.64878%0.781SS**  trans-74.3107.6169.6178.60000106.9Y226 N230Y226-V228 PolarHBondContact O-N 3.41Å; V228-N230 VanDerWaalsContact C-N 3.3Å; V228-N230 PolarHBondContact O-N 2.89Å
229T25.2Very low27Very low124 Ų124144 Ų14476%0.76178%0.783SS**  trans-68.989.4170.335.20000109.1I227 S231I227-T229 PolarHBondContact O-N 2.84Å; T229-S231 PolarHBondContact O-N 3.02Å; T229-S231 VanDerWaalsContact O-N 3.1Å
230N26Very low27Very low140 Ų140147.4 Ų147.475%0.74979%0.788SS**  trans-63.7105.8171.3-70.1-28.3000109.4V228V228-N230 VanDerWaalsContact C-N 3.3Å; V228-N230 PolarHBondContact O-N 2.89Å
231S23.6Very low27.2Very low108 Ų108148.5 Ų148.576%0.75579%0.788SS**  trans-79.5120.8162.4-0.10000107.6T229 T233T229-S231 PolarHBondContact O-N 3.02Å; T229-S231 VanDerWaalsContact O-N 3.1Å; S231-T233 PolarHBondContact O-N 2.99Å
232P27.1Very low27.2Very low117 Ų117146.4 Ų146.476%0.7678%0.783SS**  trans-81.797.5-173.330.9-31.4000110.4V234P232-V234 PolarHBondContact O-N 3.2Å
233T26.6Very low27.3Very low128 Ų128144.9 Ų144.979%0.78578%0.782SS**  trans-75.6100.716027.80000108.9S231 I235S231-T233 PolarHBondContact O-N 2.99Å; T233-I235 PolarHBondContact O-N 3.38Å
234V25.1Very low27.3Very low128 Ų128145.8 Ų145.878%0.77679%0.786SS**  trans-58.9110.9167.6177.40000108.1P232P232-V234 PolarHBondContact O-N 3.2Å
235I29.1Very low27.2Very low144 Ų144148.6 Ų148.674%0.73879%0.79SS**  trans-106109167.9-60.4175000105.8T233 N237T233-I235 PolarHBondContact O-N 3.38Å; I235-N237 PolarHBondContact O-N 3.23Å
236E26Very low27Very low165 Ų165146.4 Ų146.477%0.77179%0.791SS**  trans-56.3126.4176.7-76.4176.8142.600111K238E236-K238 PolarHBondContact O-N 3.11Å
237N26.6Very low27.1Very low167 Ų167141.3 Ų141.389%0.89379%0.785SS**  trans-64.798.6173-72.9-38.8000110I235 E239I235-N237 PolarHBondContact O-N 3.23Å; N237-E239 PolarHBondContact O-N 3.22Å
238K30.3Very low27Very low196 Ų196141.7 Ų141.785%0.85279%0.785SS**  trans-79.396.5164.8-78.5-168.8175.3-176.40110.2E236E236-K238 PolarHBondContact O-N 3.11Å
239E26.9Very low27.1Very low178 Ų178144.7 Ų144.783%0.83280%0.795SS**  trans33.3114135.1-146.8165.5-164.600118.3N237 I241N237-E239 PolarHBondContact O-N 3.22Å; E239-I241 PolarHBondContact O-N 2.99Å
240N26.2Very low27.2Very low164 Ų164146.8 Ų146.888%0.87780%0.795SS**  trans-61.4113.8174.2-68.2-36.6000111.7
241I30.9Very low27.2Very low155 Ų155145.1 Ų145.180%0.79579%0.794SS**  trans-97.8124.3164.3-58.1176.9000108.5E239E239-I241 PolarHBondContact O-N 2.99Å
242P26.5Very low27.3Very low109 Ų109146.8 Ų146.871%0.70880%0.8SS**  trans-68.4141.4-175.624.7-31.7000113.1T244P242-T244 PolarHBondContact O-N 3.23Å
243I29Very low27.3Very low162 Ų162146.1 Ų146.183%0.83180%0.799SS**  trans-65.1109.6-178.7-59.2161.5000108.6
244T27.9Very low27.4Very low134 Ų134145.8 Ų145.882%0.82280%0.798SS**  trans-84.9110.4168.5-58.10000108P242 A246P242-T244 PolarHBondContact O-N 3.23Å; T244-A246 PolarHBondContact O-N 3.13Å
245E26.2Very low27.4Very low182 Ų182146.1 Ų146.185%0.8581%0.805SS**  trans-65.6106.6175.8-66.2-178.6157.800109.9
246A25.7Very low27.2Very low92 Ų92144 Ų14476%0.7680%0.803SS**  trans-90.5129.6170.200000109.8T244T244-A246 PolarHBondContact O-N 3.13Å
247P28.4Very low27.2Very low112 Ų112145.4 Ų145.473%0.72781%0.807SS**  trans-71.4140.5-169.326.2-33.1000113.6M249P247-M249 PolarHBondContact O-N 3.5Å
248M25.8Very low27.2Very low163 Ų163144.1 Ų144.180%0.80380%0.8SS**  trans-50.897.1171.3-85.6165.462.400111.6
249M29.8Very low27Very low171 Ų171140.2 Ų140.284%0.84280%0.797SS**  trans-96.5105.8164.9-82-90.6174.600108.6P247 S251P247-M249 PolarHBondContact O-N 3.5Å; M249-S251 PolarHBondContact O-N 3.45Å
250H27.3Very low27.1Very low168 Ų168135.9 Ų135.978%0.77879%0.786SS**  trans-66.195.3167.9-65.8-78.3000109.2
251S26.6Very low27.3Very low104 Ų104135.4 Ų135.473%0.72778%0.783SS**  trans-110.497.5168.1620000109.7M249 S253M249-S251 PolarHBondContact O-N 3.45Å; S251-S253 PolarHBondContact O-N 2.88Å
252T25.2Very low27.2Very low143 Ų143137.3 Ų137.388%0.87779%0.786SS**  trans-5799.5160.525.60000109.3
253S26.4Very low27.2Very low104 Ų104140.2 Ų140.273%0.72779%0.787SS**  trans-82.8129.2167.668.20000109.8S251 C255S251-S253 PolarHBondContact O-N 2.88Å; S253-C255 PolarHBondContact O-N 2.96Å
254P29.4Very low27.3Very low120 Ų120139.8 Ų139.878%0.77979%0.787SS**  trans-62.7129.5175.1-15.328.1000110.5S256P254-S256 PolarHBondContact O-N 3.13Å
255C24.6Very low27.4Very low135 Ų135140.7 Ų140.791%0.91279%0.786SS**  trans-5897.2166.6-83.70000109.5S253S253-C255 PolarHBondContact O-N 2.96Å
256S26.1Very low27.6Very low101 Ų101140.7 Ų140.771%0.70678%0.784SS**  trans-77.6134.6165.9-1680000109.4P254 D258P254-S256 PolarHBondContact O-N 3.13Å; S256-D258 PolarHBondContact O-N 2.87Å; S256-D258 VanDerWaalsContact O-N 3.09Å
257K25.4Very low27.8Very low194 Ų194142.9 Ų142.984%0.84378%0.782SS**  trans-72.387.9-179.4-72.1169.1172.3171.30110.6
258D27.7Very low27.9Very low140 Ų140141.8 Ų141.875%0.74978%0.778SS**  trans-104.667.4162.7-71.4-27.1000110.2S256 S260S256-D258 PolarHBondContact O-N 2.87Å; S256-D258 VanDerWaalsContact O-N 3.09Å; D258-S260 PolarHBondContact O-N 3.25Å
259S26Very low28.2Very low114 Ų114141 Ų14180%0.79778%0.777SS**THydrogen-bonded Turntrans-81.779.1163.157.40000109.4
260S28.3Very low28.4Very low86 Ų86137.3 Ų137.360%0.60176%0.76SS**THydrogen-bonded Turntrans-152.1-12.6167.4600000116.1D258D258-S260 PolarHBondContact O-N 3.25Å
261L29.9Very low28.5Very low155 Ų155136.6 Ų136.681%0.81276%0.762SS**THydrogen-bonded Turntrans-911.5-172.7-85.7164.6000116.8
262F28.2Very low28.5Very low195 Ų195140.3 Ų140.386%0.85576%0.762SS**THydrogen-bonded Turntrans-126.418.5-178.7-79.2-77.2000115.2
263K27.6Very low28.5Very low169 Ų169138.5 Ų138.574%0.73576%0.755SS**SBendtrans-100.5-14.6178.6-121.3179.9176.8-171.50115.6
264D30.7Very low28.5Very low153 Ų153140.4 Ų140.482%0.81876%0.755SS**THydrogen-bonded Turntrans-93.44-173.8-67.5-8.5000114.8
265L29.5Very low28.3Very low153 Ų153142.4 Ų142.480%0.80175%0.754SS**THydrogen-bonded Turntrans-95.5-6.3179.4-112.590.9000115.4
266F31.8Very low28.3Very low183 Ų183143.6 Ų143.680%0.80375%0.75SS**SBendtrans-127.415.1-172.2-71-71.9000115.9
267D29.6Very low28.3Very low137 Ų137147 Ų14773%0.73375%0.752SS**  trans-117.418.8179-90.8-20.1000114.9N269D267-N269 PolarHBondContact O-N 2.54Å
268S29.8Very low28.3Very low90 Ų90144.7 Ų144.763%0.62975%0.749SS**  trans-91.576.1169.1169.40000110.2D270S268-D270 PolarHBondContact O-N 2.97Å; S268-D270 PolarHBondContact OG-OD2 2.8Å
269N32.1Very low28.3Very low146 Ų146146.3 Ų146.378%0.78176%0.757SS**  trans-72.351.8161.2-76.8-43.9000110.4D267 D271D267-N269 PolarHBondContact O-N 2.54Å; N269-D271 PolarHBondContact O-N 2.91Å; N269-D271 VanDerWaalsContact O-N 3.11Å
270D33.5Very low28.1Very low93 Ų93145.1 Ų145.150%0.49775%0.749SS.*  trans-79.5102.7175-73.3-11.3000107.7S268 Y272S268-D270 PolarHBondContact O-N 2.97Å; S268-D270 PolarHBondContact OG-OD2 2.8Å; D270-Y272 HydrophobicContact CB-CD2 3.45Å; D270-Y272 VanDerWaalsContact CB-CD2 3.45Å; D270-Y272 HydrophobicContact CB-CE2 3.25Å; D270-Y272 PolarHBondContact O-N 2.94Å; D270-Y272 WeakPolarHBondContact OD2-CE2 3.48Å
271D29.5Very low28Very low153 Ų153148.1 Ų148.182%0.81876%0.758SS**  trans-57.861.1164.8-77.2-40.3000111.1N269 S273N269-D271 PolarHBondContact O-N 2.91Å; N269-D271 VanDerWaalsContact O-N 3.11Å; D271-S273 PolarHBondContact O-N 2.81Å
272Y27.8Very low27.7Very low183 Ų183144.7 Ų144.772%0.71875%0.747SS**  trans-70.979165.2-72.1-73.5000108.1D270 I274D270-Y272 HydrophobicContact CB-CD2 3.45Å; D270-Y272 VanDerWaalsContact CB-CD2 3.45Å; D270-Y272 HydrophobicContact CB-CE2 3.25Å; D270-Y272 PolarHBondContact O-N 2.94Å; D270-Y272 WeakPolarHBondContact OD2-CE2 3.48Å; Y272-I274 PolarHBondContact O-N 2.97Å
273S25.7Very low27.6Very low105 Ų105145.9 Ų145.973%0.73475%0.753SS**  trans-57.390.1153.7-55.10000106.3D271 E275D271-S273 PolarHBondContact O-N 2.81Å; S273-E275 PolarHBondContact O-N 2.88Å
274I25.4Very low27.4Very low143 Ų143145.3 Ų145.373%0.73375%0.754SS**  trans-67.294.4169.2-60.4173.2000105.1Y272 L276Y272-I274 PolarHBondContact O-N 2.97Å; I274-L276 VanDerWaalsContact C-N 3.3Å; I274-L276 PolarHBondContact O-N 2.83Å
275E24.4Very low27.2Very low162 Ų162144.3 Ų144.376%0.75775%0.754SS**  trans-53.9100.8162.7-80.3-173.715600107.2S273 K277S273-E275 PolarHBondContact O-N 2.88Å; E275-K277 PolarHBondContact O-N 3.29Å
276L26.4Very low26.9Very low160 Ų160142.3 Ų142.384%0.83875%0.753SS**  trans-6582.1164.2-82.1156.9000106.9I274 N278I274-L276 VanDerWaalsContact C-N 3.3Å; I274-L276 PolarHBondContact O-N 2.83Å; L276-N278 PolarHBondContact O-N 2.94Å
277K25.5Very low26.5Very low172 Ų172142 Ų14275%0.74875%0.754SS**  trans-54.5114.8160.8-87.6-178.7176.8174.30106.4E275 L279E275-K277 PolarHBondContact O-N 3.29Å; K277-L279 VanDerWaalsContact C-N 3.35Å; K277-L279 PolarHBondContact O-N 2.81Å
278N25.9Very low26.4Very low146 Ų146142.9 Ų142.978%0.78176%0.757SS**  trans-43.598.2171.1-83.3-40.5000109.6L276 S280L276-N278 PolarHBondContact O-N 2.94Å; N278-S280 PolarHBondContact O-N 2.88Å
279L26.4Very low26.2Very low175 Ų175146.1 Ų146.192%0.91677%0.766SS**  trans-77.658.3159.2-70.7169.8000107.4K277 N281K277-L279 VanDerWaalsContact C-N 3.35Å; K277-L279 PolarHBondContact O-N 2.81Å; L279-N281 VanDerWaalsContact C-N 3.27Å; L279-N281 PolarHBondContact O-N 3.19Å
280S22.5Very low25.9Very low89 Ų89144.1 Ų144.162%0.62276%0.76SS**  trans-85.477.3161.758.30000106.8N278N278-S280 PolarHBondContact O-N 2.88Å
281N25.2Very low25.5Very low148 Ų148145.4 Ų145.479%0.79177%0.773SS**  trans-140.6107.7166.4-93-21.5000109.5L279L279-N281 VanDerWaalsContact C-N 3.27Å; L279-N281 PolarHBondContact O-N 3.19Å
282S23.3Very low25.3Very low84 Ų84147.9 Ų147.959%0.58778%0.777SS**  trans57.386.5135.4170.20000116.7
283F26.3Very low25.1Very low220 Ų220143.2 Ų143.297%0.96578%0.776SS**  trans-109.2134.2134.1-100.2-87.6000109.4
284M25.3Very low24.8Very low157 Ų157150.3 Ų150.377%0.77379%0.787SS**  trans-69.7154.9-158.8-70.8-81.3-173.100114.3
285T24.5Very low24.8Very low132 Ų132151.6 Ų151.681%0.8179%0.794SS**  trans-58.3130.3168.446.80000115
286S23.7Very low24.9Very low110 Ų110148.7 Ų148.777%0.76979%0.792SS**  trans-178.8104.2143.753.60000105.5
287E24.6Very low24.9Very low178 Ų178149.5 Ų149.583%0.83279%0.791SS**  -160121.781.6-82.6172.2162.700108.9L289E287-L289 PolarHBondContact O-N 3.21Å
288I26.8Very low24.9Very low154 Ų154147.7 Ų147.779%0.7979%0.79SS**  trans-8098.5175.1-64.4166.6000107T290I288-T290 HydrophobicContact CG2-CG2 3.9Å; I288-T290 PolarHBondContact O-N 3.41Å
289L24.9Very low25Very low159 Ų159147.4 Ų147.483%0.83279%0.789SS**  trans-84.586.4162.8-81.5163.4000108.2E287 P291E287-L289 PolarHBondContact O-N 3.21Å; L289-P291 VanDerWaalsContact O-CD 3.25Å; L289-P291 WeakPolarHBondContact O-CD 3.42Å
290T26.8Very low25.1Very low104 Ų104146 Ų14664%0.63878%0.782SS**  trans-65.4116.7169.325.10000110.6I288I288-T290 HydrophobicContact CG2-CG2 3.9Å; I288-T290 PolarHBondContact O-N 3.41Å
291P24.8Very low25.4Very low120 Ų120147.9 Ų147.978%0.77979%0.79SS**  trans-83.7115.41685.513.8000108.6L289 A293L289-P291 VanDerWaalsContact O-CD 3.25Å; L289-P291 WeakPolarHBondContact O-CD 3.42Å; P291-A293 PolarHBondContact O-N 2.82Å
292F24.9Very low25.5Very low204 Ų204147.4 Ų147.490%0.89579%0.787SS**  trans-65.298168.3-83.5-90.8000109.7
293A23.8Very low25.5Very low86 Ų86150.6 Ų150.671%0.71180%0.796SS**  trans-102.5106165.300000108.7P291 L295P291-A293 PolarHBondContact O-N 2.82Å; A293-L295 PolarHBondContact O-N 3.28Å
294R19.9Very low25.7Very low254 Ų254147.4 Ų147.496%0.95879%0.787SS**  trans-69.5107.2172.1-80.2-178.9174.8176.9-2.1108.8
295L25.9Very low25.6Very low169 Ų169145.9 Ų145.989%0.88579%0.787SS**  trans-77.6118.6170.5-74161.6000109A293A293-L295 PolarHBondContact O-N 3.28Å
296S24.6Very low25.7Very low101 Ų101145 Ų14571%0.70679%0.786SS**  trans-75.3135.317462.90000110.7N298S296-N298 PolarHBondContact O-N 3.17Å
297Q26.9Very low25.7Very low177 Ų177148.2 Ų148.283%0.82779%0.789SS**  trans-73.4107.9-177.2-157.6165.17.600109.8N299Q297-N299 PolarHBondContact O-N 3Å
298N26.3Very low25.8Very low135 Ų135145.8 Ų145.872%0.72279%0.786SS**  trans-83.6110.3174.2-76.7-4.4000109.3S296 N300S296-N298 PolarHBondContact O-N 3.17Å; N298-N300 PolarHBondContact O-N 3.3Å
299N27Very low25.8Very low140 Ų140143.1 Ų143.175%0.74979%0.787SS**  trans-80.396.5169.2-65.4-28.1000108.5Q297Q297-N299 PolarHBondContact O-N 3Å
300N29.9Very low25.9Very low144 Ų144144.7 Ų144.777%0.7779%0.79SS**  trans-99.3112.6164.6-80.4-10.7000108.3N298 D302N298-N300 PolarHBondContact O-N 3.3Å; N300-D302 PolarHBondContact O-N 3.47Å
301T27.8Very low26.2Very low129 Ų129144.5 Ų144.579%0.79179%0.79SS**  trans-67.3115.3175.7-52.90000109.8I303T301-I303 PolarHBondContact O-N 3.34Å
302D26.7Very low26.4Very low138 Ų138148 Ų14874%0.73880%0.796SS**  trans-68.2120.5170.3-70.6-47.3000110.4N300 I304N300-D302 PolarHBondContact O-N 3.47Å; D302-I304 HydrophobicContact CB-CG1 4.29Å
303I25.2Very low26.4Very low152 Ų152142.6 Ų142.678%0.77979%0.789SS**  trans-104.698.9160.6-61.5176.2000105.7T301T301-I303 PolarHBondContact O-N 3.34Å
304I29Very low26.8Very low152 Ų152144 Ų14478%0.77979%0.791SS**  trans-92.9115.7175.3-62.4172.8000107.9D302D302-I304 HydrophobicContact CB-CG1 4.29Å
305T22.8Very low27Very low126 Ų126138.8 Ų138.877%0.77379%0.787SS**  trans-113110.4166.8-32.90000106.8
306S27.7Very low27.1Very low113 Ų113135.6 Ų135.679%0.7978%0.779SS**  trans-178.5133.5134.571.80000110.6
307E23.6Very low27.3Very low178 Ų178139.3 Ų139.383%0.83279%0.785SS**  trans-86.9160.6-175-157.4-175.6171.400110.4
308V26.9Very low27.2Very low127 Ų127136 Ų13677%0.7778%0.782SS**  trans92124.7152.9-167.60000119.9
309A27.4Very low27.3Very low97 Ų97138 Ų13880%0.80279%0.787SS**  trans93.7126.2150.900000119.8
310H26.1Very low27.4Very low192 Ų192138.9 Ų138.989%0.88979%0.791SS**  trans-97.3179-163.7-124.745.7000111.6
311P32.3Very low27.2Very low100 Ų100139 Ų13965%0.64979%0.792SS**  trans-100.4167-138.640.1-39.5000114.3
312Q30Very low27.3Very low194 Ų194142 Ų14291%0.90779%0.794SS**  trans-156.6114.3142.7-108.1166.317.900110.4
313A23.8Very low27.3Very low90 Ų90143.4 Ų143.474%0.74480%0.801SS**  trans-79.5146.9170.200000110.3
314P32.6Very low27.3Very low116 Ų116141.9 Ų141.975%0.75380%0.804SS**  trans-129.8122130.220.5-2.5000110.5S316P314-S316 PolarHBondContact O-N 3.06Å
315V24.5Very low27.2Very low145 Ų145139.8 Ų139.888%0.87980%0.802SS**  trans-64.9121.7170.8176.50000108.6
316S28.4Very low27.3Very low101 Ų101139.5 Ų139.571%0.70680%0.802SS**  trans-143.6109.6164.217.20000110.9P314P314-S316 PolarHBondContact O-N 3.06Å
317E27.9Very low27.2Very low179 Ų179139.1 Ų139.184%0.83680%0.8SS**  trans57.795.4141.6-64.1179.9170.300120.2
318S26Very low27.2Very low108 Ų108136.1 Ų136.176%0.75579%0.794SS**  37.597.912761.60000119.8D320S318-D320 PolarHBondContact O-N 3.19Å
319Q27.7Very low27Very low178 Ų178137.2 Ų137.283%0.83279%0.791SS**  trans13.793.3131.5-66-169.4-22.400118.3
320D28.9Very low26.7Very low158 Ų158142.3 Ų142.385%0.84579%0.791SS**  trans-88.8116.6148.1-94.9-32.5000109.5S318 K322S318-D320 PolarHBondContact O-N 3.19Å; D320-K322 PolarHBondContact O-N 3.14Å
321N26.1Very low26.5Very low145 Ų145141.7 Ų141.778%0.77579%0.786SS**  trans-62.885.4176.5-73.4-41.8000111.3L323N321-L323 PolarHBondContact O-N 2.88Å
322K29.2Very low26Very low193 Ų193141.8 Ų141.884%0.83979%0.789SS**  trans-83.399.8162.8-83.2-177.1179.1174.90109.3D320 S324D320-K322 PolarHBondContact O-N 3.14Å; K322-S324 PolarHBondContact O-N 3.46Å
323L26.3Very low25.7Very low168 Ų168138.7 Ų138.788%0.8878%0.783SS**  trans-49.7101.2160.8-85.3142.8000109.6N321 S325N321-L323 PolarHBondContact O-N 2.88Å; L323-S325 PolarHBondContact O-N 3.38Å; L323-S325 VanDerWaalsContact O-N 3.08Å
324S26.8Very low25.6Very low120 Ų120142.5 Ų142.584%0.83979%0.785SS**  trans-64104.4171.7-410000108.7K322K322-S324 PolarHBondContact O-N 3.46Å
325S25.9Very low25.1Very low108 Ų108143.4 Ų143.476%0.75578%0.784SS**  trans-63.7138.3170.3-66.80000109.6L323 S327L323-S325 PolarHBondContact O-N 3.38Å; L323-S325 VanDerWaalsContact O-N 3.08Å; S325-S327 PolarHBondContact O-N 3.34Å
326P25.9Very low25.1Very low119 Ų119141 Ų14177%0.77378%0.779SS**  trans-65.2121.7-178.125.2-31.5000109.8T328P326-T328 PolarHBondContact O-N 3.1Å; P326-T328 VanDerWaalsContact O-N 3.07Å
327S24.3Very low24.9Very low105 Ų105140.5 Ų140.573%0.73478%0.776SS**  trans-64.8106.2175.156.80000109.7S325 Q329S325-S327 PolarHBondContact O-N 3.34Å; S327-Q329 PolarHBondContact O-N 3.1Å
328T24.6Very low24.8Very low115 Ų115138.5 Ų138.571%0.70677%0.771SS**  trans-61.1102.5168.3-49.40000108.6P326 Y330P326-T328 PolarHBondContact O-N 3.1Å; P326-T328 VanDerWaalsContact O-N 3.07Å; T328-Y330 HydrophobicContact CG2-CD2 4.49Å; T328-Y330 HydrophobicContact CG2-CE2 4.29Å; T328-Y330 PolarHBondContact O-N 2.87Å; T328-Y330 VanDerWaalsContact O-N 3.14Å
329Q22.4Very low24.7Very low151 Ų151142.3 Ų142.371%0.70677%0.774SS**  trans-70.8105.7171.2-81.6-179-1600108.8S327 F331S327-Q329 PolarHBondContact O-N 3.1Å; Q329-F331 PolarHBondContact O-N 3.5Å
330Y20.9Very low24.5Very low204 Ų204138.4 Ų138.480%0.877%0.766SS**  trans-70.3114.5166.4-81.2-97000108.5T328 S332T328-Y330 HydrophobicContact CG2-CD2 4.49Å; T328-Y330 HydrophobicContact CG2-CE2 4.29Å; T328-Y330 PolarHBondContact O-N 2.87Å; T328-Y330 VanDerWaalsContact O-N 3.14Å; Y330-S332 PolarHBondContact O-N 3.12Å
331F21.9Very low24.3Very low179 Ų179137.7 Ų137.779%0.78576%0.761SS**  trans-77.9103.9163.4-69.5-82.5000108Q329 V333Q329-F331 PolarHBondContact O-N 3.5Å; F331-V333 PolarHBondContact O-N 3.34Å
332S22.4Very low24.1Very low102 Ų102138 Ų13871%0.71376%0.762SS**  trans-66.8113.9166.9-48.60000108.3Y330 Q334Y330-S332 PolarHBondContact O-N 3.12Å; S332-Q334 PolarHBondContact O-N 3.47Å
333V22.7Very low23.8Very low129 Ų129137 Ų13778%0.78276%0.757SS**  trans-72.795.8170.1-178.40000106.3F331 D335F331-V333 PolarHBondContact O-N 3.34Å; V333-D335 PolarHBondContact O-N 3.32Å
334Q21.5Very low23.6Very low169 Ų169135.4 Ų135.479%0.7976%0.755SS**  trans-71.8112.4171.5-155.281.614.900107.1S332 A336S332-Q334 PolarHBondContact O-N 3.47Å; Q334-A336 PolarHBondContact O-N 2.99Å
335D23.1Very low23.3Very low136 Ų136134.7 Ų134.773%0.72775%0.75SS**  trans-55.2103.2171.7-77.8-40.9000108.9V333 S337V333-D335 PolarHBondContact O-N 3.32Å; D335-S337 PolarHBondContact O-N 3.11Å
336A24.9Very low23.1Very low95 Ų95136.3 Ų136.379%0.78575%0.75SS**  trans-78.157.1172.500000109.8Q334 D338Q334-A336 PolarHBondContact O-N 2.99Å; A336-D338 VanDerWaalsContact C-N 3.31Å; A336-D338 PolarHBondContact O-N 3.35Å
337S23.5Very low22.9Very low90 Ų90135.7 Ų135.763%0.62975%0.749SS**  trans-83.680.1158.444.60000107.1D335D335-S337 PolarHBondContact O-N 3.11Å
338D24.9Very low22.7Very low137 Ų137135.3 Ų135.373%0.73375%0.746SS**  trans-176.872.5161.8-88.8-23.5000110.8A336A336-D338 VanDerWaalsContact C-N 3.31Å; A336-D338 PolarHBondContact O-N 3.35Å
339F25.3Very low22.5Very low187 Ų187135.3 Ų135.382%0.8275%0.746SS**  trans-133.754.2154.3-83.9-77.3000109.6
340S23.1Very low22.4Very low96 Ų96135.7 Ų135.767%0.67175%0.749SS**  trans-83.4101.6146.358.90000106.6
341I25.7Very low22.3Very low143 Ų143133.1 Ų133.173%0.73375%0.745SS**  trans150.773.4161.2-69146.6000105
342L21.7Very low22.3Very low153 Ų153132.4 Ų132.480%0.80175%0.747SS**  trans-132.699.9147.6-123.7134.2000106.4
343K21.9Very low22.3Very low170 Ų170133.2 Ų133.274%0.73974%0.744SS**  trans-48135.3178.9-70.4170.2174.4175.40109.5S345K343-S345 VanDerWaalsContact C-N 3.33Å; K343-S345 PolarHBondContact O-N 2.93Å; K343-S345 PolarHBondContact O-OG 3.4Å
344T22Very low22.4Very low135 Ų135132 Ų13283%0.82874%0.74SS**  trans-11.489.1145.616.10000112.1N346T344-N346 PolarHBondContact O-N 2.72Å
345S20.8Very low22.5Very low106 Ų106131.3 Ų131.374%0.74174%0.742SS**  trans-84.7104.6163-53.70000104K343K343-S345 VanDerWaalsContact C-N 3.33Å; K343-S345 PolarHBondContact O-N 2.93Å; K343-S345 PolarHBondContact O-OG 3.4Å
346N22.6Very low22.6Very low141 Ų141128.1 Ų128.175%0.75474%0.742SS**  trans-40.4141.7173.8-74.7-27.7000110.3T344 S348T344-N346 PolarHBondContact O-N 2.72Å; N346-S348 VanDerWaalsContact C-N 3.28Å; N346-S348 PolarHBondContact O-N 3.06Å
347S20.2Very low22.5Very low107 Ų107132.1 Ų132.175%0.74874%0.744SS**  trans-41.993.6161.1540000110V349S347-V349 PolarHBondContact O-N 2.85Å
348S20.6Very low22.5Very low96 Ų96135 Ų13567%0.67175%0.751SS**  trans-74.390.8157.162.60000104.4N346 M350N346-S348 VanDerWaalsContact C-N 3.28Å; N346-S348 PolarHBondContact O-N 3.06Å; S348-M350 PolarHBondContact O-N 2.75Å
349V20.3Very low22.5Very low116 Ų116133.9 Ų133.970%0.70375%0.749SS**  trans-46.695.8150.7177.60000105S347 E351S347-V349 PolarHBondContact O-N 2.85Å; V349-E351 HydrophobicContact CG1-CG 4.29Å; V349-E351 PolarHBondContact O-N 3.19Å
350M19.9Very low22.4Very low158 Ų158131.1 Ų131.178%0.77874%0.743SS**  trans-74.192.8163.2-90.6-169.5-7500104.7S348 I352S348-M350 PolarHBondContact O-N 2.75Å; M350-I352 VanDerWaalsContact C-N 3.29Å; M350-I352 PolarHBondContact O-N 3.02Å
351E20Very low22.5Very low150 Ų150131.8 Ų131.870%0.70175%0.748SS**  trans-50.2104.1151.3-75178.1150.900106.2V349 N353V349-E351 HydrophobicContact CG1-CG 4.29Å; V349-E351 PolarHBondContact O-N 3.19Å; E351-N353 PolarHBondContact O-N 2.92Å
352I20.5Very low22.4Very low165 Ų165132.9 Ų132.985%0.84675%0.754SS**  trans-72.285.2167.3-56.9176.1000104.5M350 S354M350-I352 VanDerWaalsContact C-N 3.29Å; M350-I352 PolarHBondContact O-N 3.02Å; I352-S354 PolarHBondContact O-N 2.96Å
353N23.4Very low22.6Very low119 Ų119133 Ų13364%0.63676%0.755SS**  trans-54.8125.3165.8-79.9-27.2000107.5E351 N355E351-N353 PolarHBondContact O-N 2.92Å; N353-N355 PolarHBondContact O-N 3.48Å
354S24.5Very low22.7Very low102 Ų102133.2 Ų133.271%0.71376%0.758SS**THydrogen-bonded Turntrans-37.4129.4166.3480000111.2I352I352-S354 PolarHBondContact O-N 2.96Å
355N24.6Very low22.9Very low155 Ų155132 Ų13283%0.82976%0.756SS**THydrogen-bonded Turntrans91.525.9166.6-52.8-1.2000118.6N353 Q357N353-N355 PolarHBondContact O-N 3.48Å; N355-Q357 PolarHBondContact O-N 3.38Å; N355-Q357 VanDerWaalsContact O-N 3.13Å
356G23.7Very low23.1Very low69 Ų69133 Ų13371%0.71176%0.757SS**  trans-75.393.4167.600000113.3I358G356-I358 PolarHBondContact O-N 3.09Å
357Q23.3Very low23.1Very low179 Ų179131.5 Ų131.584%0.83676%0.756SS**  trans-57.3113.9167.5-70.7170.6-1000110.4N355N355-Q357 PolarHBondContact O-N 3.38Å; N355-Q357 VanDerWaalsContact O-N 3.13Å
358I23.9Very low23.2Very low150 Ų150129.5 Ų129.577%0.76975%0.753SS**  trans-99.295.2162.1-57176.9000106.7G356 D360G356-I358 PolarHBondContact O-N 3.09Å; I358-D360 PolarHBondContact O-N 3.39Å
359T23.8Very low23.4Very low114 Ų114130.9 Ų130.970%0.69976%0.757SS**  trans-7491.1166.548.90000108.8
360D24.4Very low23.5Very low129 Ų129130.8 Ų130.869%0.6976%0.76SS**  trans-99.297.7162.6-102.8-22.6000108.1I358 L362I358-D360 PolarHBondContact O-N 3.39Å; D360-L362 PolarHBondContact O-N 2.94Å
361S24.2Very low23.7Very low110 Ų110129.7 Ų129.777%0.76976%0.758SS**THydrogen-bonded Turntrans-69.521.7-171.4-29.10000115.2
362L24.6Very low24Very low166 Ų166130.1 Ų130.187%0.86977%0.765SS**THydrogen-bonded Turntrans-118.1-0.8-174.8-134.1117.5000114.6D360D360-L362 PolarHBondContact O-N 2.94Å
363L24.8Very low24.2Very low155 Ų155128 Ų12881%0.81276%0.76SS**SBendtrans-112.7-1-179.3-94155.5000115.1S365L363-S365 PolarHBondContact O-N 3.28Å
364E24.9Very low24.3Very low175 Ų175129.5 Ų129.582%0.81877%0.768SS**THydrogen-bonded Turntrans-81.5-2.4-174.5-88.2-174.6155.400116.3
365S25.5Very low24.3Very low111 Ų111132.5 Ų132.578%0.77678%0.775SS**THydrogen-bonded Turntrans-93.11.9-169.886.40000117.2L363L363-S365 PolarHBondContact O-N 3.28Å
366T24.8Very low24.3Very low126 Ų126130.1 Ų130.177%0.77377%0.766SS**SBendtrans-142.1-6.1-175.3-18.90000117.2
367C22.7Very low24.2Very low109 Ų109134.5 Ų134.574%0.73677%0.773SS**SBendtrans-122.7115.6175.9-67.90000108.8V369C367-V369 PolarHBondContact O-N 2.88Å
368G22.6Very low24.2Very low66 Ų66134 Ų13468%0.6877%0.77SS**  trans-52136.2173.200000110.2C370G368-C370 PolarHBondContact O-N 3.28Å
369V24.3Very low24.1Very low125 Ų125131.5 Ų131.576%0.75877%0.767SS**  trans-50103.8178.8-1800000109.5C367 N371C367-V369 PolarHBondContact O-N 2.88Å; V369-N371 PolarHBondContact O-N 3.35Å
370C22.4Very low24Very low113 Ų113132.5 Ų132.576%0.76477%0.772SS**  trans-76.8104.3164.6-57.90000106G368 N372G368-C370 PolarHBondContact O-N 3.28Å; C370-N372 PolarHBondContact O-N 3Å; C370-N372 VanDerWaalsContact O-N 3.12Å
371N25.7Very low24Very low135 Ų135131.4 Ų131.472%0.72277%0.77SS**  trans-57.3119.9171.6-74.9-23.1000108.1V369 T373V369-N371 PolarHBondContact O-N 3.35Å; N371-T373 VanDerWaalsContact C-N 3.3Å; N371-T373 PolarHBondContact O-N 3.39Å
372N25.2Very low23.8Very low160 Ų160131.1 Ų131.186%0.85677%0.768SS**  trans-58.495.7168.1-79.1-13.6000107.8C370 D374C370-N372 PolarHBondContact O-N 3Å; C370-N372 VanDerWaalsContact O-N 3.12Å; N372-D374 PolarHBondContact O-N 3.45Å
373T25Very low23.8Very low121 Ų121130 Ų13074%0.74276%0.763SS**  trans-66.7115.1162.2440000107N371 L375N371-T373 VanDerWaalsContact C-N 3.3Å; N371-T373 PolarHBondContact O-N 3.39Å; T373-L375 PolarHBondContact O-N 3.25Å
374D24.9Very low23.8Very low150 Ų150128.9 Ų128.980%0.80276%0.762SS**  trans-42.5104.5175.1-75.2-46000111N372 T376N372-D374 PolarHBondContact O-N 3.45Å; D374-T376 PolarHBondContact O-N 3.3Å
375L24.1Very low23.9Very low165 Ų165128 Ų12886%0.86476%0.763SS**  trans-74.785165.3-79.6160.1000106.8T373 N377T373-L375 PolarHBondContact O-N 3.25Å; L375-N377 PolarHBondContact O-N 3.09Å; L375-N377 VanDerWaalsContact O-N 3.13Å
376T24.7Very low23.9Very low105 Ų105131.6 Ų131.664%0.64477%0.768SS**  trans-59.9114.6168.528.50000108.7D374 H378D374-T376 PolarHBondContact O-N 3.3Å; T376-H378 PolarHBondContact O-N 3.23Å
377N23.1Very low24Very low161 Ų161137 Ų13786%0.86177%0.774SS**  trans-54.8100.1173.5-72-41.8000109.8L375 S379L375-N377 PolarHBondContact O-N 3.09Å; L375-N377 VanDerWaalsContact O-N 3.13Å; N377-S379 VanDerWaalsContact C-N 3.32Å; N377-S379 PolarHBondContact O-N 3.15Å
378H22.2Very low24.2Very low167 Ų167139 Ų13977%0.77378%0.777SS**  trans-74.590.2166.6-73.5-66.2000108.5T376 V380T376-H378 PolarHBondContact O-N 3.23Å; H378-V380 PolarHBondContact O-N 2.87Å; H378-V380 VanDerWaalsContact O-N 3.11Å
379S21.8Very low24.7Very low99 Ų99144 Ų14469%0.69279%0.786SS**  trans-68.6101.1163.668.50000108.1N377 V381N377-S379 VanDerWaalsContact C-N 3.32Å; N377-S379 PolarHBondContact O-N 3.15Å; S379-V381 PolarHBondContact O-N 3.25Å
380V22.4Very low25Very low135 Ų135144.4 Ų144.482%0.81878%0.783SS**  trans-75.593.8170.2-179.50000107.2H378 S382H378-V380 PolarHBondContact O-N 2.87Å; H378-V380 VanDerWaalsContact O-N 3.11Å; V380-S382 PolarHBondContact O-N 3.38Å
381V23.2Very low25.1Very low106 Ų106143.5 Ų143.564%0.64279%0.793SS**  trans-75.1112167.8177.20000106.9S379 N383S379-V381 PolarHBondContact O-N 3.25Å; V381-N383 PolarHBondContact O-N 3.13Å; V381-N383 VanDerWaalsContact O-N 3.09Å
382S20.8Very low25.2Very low104 Ų104145 Ų14573%0.72780%0.796SS**  trans-69.698.8171.555.90000108.9V380 T384V380-S382 PolarHBondContact O-N 3.38Å; S382-T384 PolarHBondContact O-N 3.07Å
383N24.9Very low25.1Very low142 Ų142142.5 Ų142.576%0.75979%0.79SS**  trans-74.9114.3169.6-81.8-16.8000108.9V381V381-N383 PolarHBondContact O-N 3.13Å; V381-N383 VanDerWaalsContact O-N 3.09Å
384T25.2Very low25Very low131 Ų131142.3 Ų142.380%0.80479%0.789SS**  trans-60.7129.1170.8-37.10000109.4S382 E386S382-T384 PolarHBondContact O-N 3.07Å; T384-E386 PolarHBondContact O-N 3Å
385D25.8Very low24.9Very low156 Ų156141.6 Ų141.683%0.83479%0.785SS**  trans-60.487.1177.3-70.2-49.9000112.2R387D385-R387 PolarHBondContact O-N 3.19Å
386E26.7Very low24.9Very low187 Ų187139.2 Ų139.287%0.87478%0.777SS**  trans-81.396.8162.2-79.4-165.9158.300109.5T384 N388T384-E386 PolarHBondContact O-N 3Å; E386-N388 PolarHBondContact O-N 2.9Å
387R26.3Very low24.7Very low239 Ų239140.9 Ų140.990%0.90278%0.78SS**  trans-57.5103.7170.9-73.4179.7-179173.50.2110.2D385D385-R387 PolarHBondContact O-N 3.19Å
388N27.8Very low24.7Very low151 Ų151138.6 Ų138.681%0.80777%0.772SS**  trans-80.2130.7164.7-153.6-8.4000109.6E386 N390E386-N388 PolarHBondContact O-N 2.9Å; N388-N390 PolarHBondContact O-N 3.15Å
389M31.4Very low24.8Very low173 Ų173137.2 Ų137.285%0.85277%0.77SS**SBendtrans-74.411.7-163.8-85.2-77.3-169.500116
390N31.2Very low24.8Very low133 Ų133137 Ų13771%0.71177%0.769SS**SBendtrans-117.6106.7177.4-73.9-1.1000108.2N388 Q392N388-N390 PolarHBondContact O-N 3.15Å; N390-Q392 PolarHBondContact O-N 2.98Å
391G25.6Very low24.9Very low93 Ų93136.7 Ų136.796%0.95977%0.768SS**  trans-63.556.3-173.800000116
392Q26.2Very low24.8Very low168 Ų168138.9 Ų138.979%0.78578%0.775SS**  trans-104.2108.3167.6-85.2176.1-18.900108.8N390 V394N390-Q392 PolarHBondContact O-N 2.98Å; Q392-V394 PolarHBondContact O-N 3.28Å; Q392-V394 VanDerWaalsContact O-N 3.17Å
393S23.5Very low24.9Very low106 Ų106139.3 Ų139.374%0.74178%0.775SS**  trans-59.4110163.7178.30000108.3D395S393-D395 PolarHBondContact O-N 2.9Å
394V24.4Very low24.9Very low118 Ų118137.5 Ų137.572%0.71577%0.774SS**  trans-83.8106.7168.6-178.50000106.4Q392 V396Q392-V394 PolarHBondContact O-N 3.28Å; Q392-V394 VanDerWaalsContact O-N 3.17Å; V394-V396 VanDerWaalsContact C-N 3.34Å; V394-V396 HydrophobicContact CG1-CG2 4.4Å; V394-V396 PolarHBondContact O-N 2.8Å
395D22.2Very low24.9Very low135 Ų135139.2 Ų139.272%0.72278%0.777SS**  trans-64.394.8171-75.8-27.7000108.8S393 I397S393-D395 PolarHBondContact O-N 2.9Å; D395-I397 PolarHBondContact O-N 2.93Å
396V23.2Very low25Very low115 Ų115139.6 Ų139.670%0.69777%0.773SS**  trans-75.696.4170.5-178.90000107.3V394 V398V394-V396 VanDerWaalsContact C-N 3.34Å; V394-V396 HydrophobicContact CG1-CG2 4.4Å; V394-V396 PolarHBondContact O-N 2.8Å; V396-V398 VanDerWaalsContact C-N 3.34Å; V396-V398 HydrophobicContact CG1-CG2 4.32Å; V396-V398 PolarHBondContact O-N 3.27Å
397I22.1Very low25.2Very low139 Ų139139.9 Ų139.971%0.71377%0.772SS**  trans-65.595.7169.8-58.9173.1000107.4D395 N399D395-I397 PolarHBondContact O-N 2.93Å; I397-N399 PolarHBondContact O-N 2.95Å
398V22.7Very low25.4Very low114 Ų114135.3 Ų135.369%0.69177%0.765SS**  trans-72.798.4167.9-177.70000106.6V396 S400V396-V398 VanDerWaalsContact C-N 3.34Å; V396-V398 HydrophobicContact CG1-CG2 4.32Å; V396-V398 PolarHBondContact O-N 3.27Å; V398-S400 PolarHBondContact O-N 2.88Å
399N23.2Very low25.6Very low137 Ų137133 Ų13373%0.73376%0.758SS**  trans-65.781.3164.3-78.9-16.4000108I397 T401I397-N399 PolarHBondContact O-N 2.95Å; N399-T401 PolarHBondContact O-N 3.07Å
400S22.4Very low25.9Very low94 Ų94127.3 Ų127.366%0.65774%0.736SS**  trans-71.589.5165.362.70000106.8V398 L402V398-S400 PolarHBondContact O-N 2.88Å; S400-L402 PolarHBondContact O-N 2.91Å
401T24Very low26Very low129 Ų129127.7 Ų127.779%0.79174%0.737SS**  trans-60.892.3162.7-30.10000105.8N399 P403N399-T401 PolarHBondContact O-N 3.07Å; T401-P403 WeakPolarHBondContact O-CD 3.46Å
402L22.2Very low26.3Very low153 Ų153128.2 Ų128.280%0.80172%0.721SS**  trans-56.1111.3178.8-164.575.4000106.6S400 S404S400-L402 PolarHBondContact O-N 2.91Å; L402-S404 PolarHBondContact O-N 2.99Å; L402-S404 VanDerWaalsContact O-N 3.08Å
403P22.8Very low26.6Very low113 Ų113123.5 Ų123.573%0.73470%0.701SS**  trans-61.5121178.2-15.629.1000106.2T401 L405T401-P403 WeakPolarHBondContact O-CD 3.46Å; P403-L405 PolarHBondContact O-N 3.2Å
404S25.1Very low27.1Very low104 Ų104122.8 Ų122.873%0.72770%0.695SS**  trans-51.2116.4177.362.50000107.7L402 H406L402-S404 PolarHBondContact O-N 2.99Å; L402-S404 VanDerWaalsContact O-N 3.08Å; S404-H406 PolarHBondContact O-N 3.34Å
405L25.1Very low27.5Very low166 Ų166121.2 Ų121.287%0.86969%0.685SS**  trans-55.794.9173.9-136.194.6000106.6P403 K407P403-L405 PolarHBondContact O-N 3.2Å; L405-K407 PolarHBondContact O-N 3.23Å; L405-K407 VanDerWaalsContact O-N 3.07Å
406H26.1Very low28Very low164 Ų164123 Ų12376%0.75968%0.682SS**  trans-60.2117.6168.8-128.6-78.9000103.8S404 D408S404-H406 PolarHBondContact O-N 3.34Å; H406-D408 PolarHBondContact O-N 2.93Å
407K30.9Very low28.8Very low193 Ų193122.4 Ų122.484%0.83968%0.675SS**  trans-59.392.4-177.7-72.1175.4177.6176.40107.8L405L405-K407 PolarHBondContact O-N 3.23Å; L405-K407 VanDerWaalsContact O-N 3.07Å
408D31.5Very low29.6Very low143 Ų143119.3 Ų119.377%0.76567%0.666SS**PPolyproline II helixtrans-54.5129167.3-76.7-35000106.7H406 S410H406-D408 PolarHBondContact O-N 2.93Å; D408-S410 PolarHBondContact O-N 3.43Å
409P32.8Very low30.3Very low102 Ų102117.8 Ų117.866%0.66266%0.656SS**PPolyproline II helixtrans-54.3123.1177.820.9-29.9000107.4I411P409-I411 PolarHBondContact O-N 3.48Å
410S36.1Very low31.2Very low55 Ų55114.5 Ų114.539%0.38564%0.641SS.*PPolyproline II helixtrans-53.1142.7-175.771.30000108.9D408 V412 D413D408-S410 PolarHBondContact O-N 3.43Å; S410-V412 PolarHBondContact O-N 2.97Å; S410-D413 PolarHBondContact O-N 2.69Å; S410-D413 PolarHBondContact OG-OD2 3.42Å
411I34.3Very low32.2Very low141 Ų141117 Ų11772%0.72364%0.642SS**Hα-helixtrans-45.9-29.5175.3-73.2166.9000111.6P409 D413 C414 V415P409-I411 PolarHBondContact O-N 3.48Å; I411-D413 PolarHBondContact O-N 3.35Å; I411-C414 PolarHBondContact O-N 3.1Å; I411-V415 HydrophobicContact CG2-CG2 4.21Å; I411-V415 VanDerWaalsContact O-CG2 3.3Å; I411-V415 WeakPolarHBondContact O-CG2 3.38Å; I411-V415 PolarHBondContact O-N 3.12Å
412V31.4Very low32.8Very low104 Ų104117.6 Ų117.663%0.6363%0.634SS**Hα-helixtrans-58.8-42.2175.3-1740000112.5S410 R416S410-V412 PolarHBondContact O-N 2.97Å; V412-R416 VanDerWaalsContact O-CB 3.27Å; V412-R416 WeakPolarHBondContact O-CB 3.28Å; V412-R416 PolarHBondContact O-N 3.06Å
413D33.4Very low33.6Very low69 Ų69112.8 Ų112.837%0.36961%0.612SS.*Hα-helixtrans-70.7-38.7178.9-62.8-49000111.2S410 I411 V415 R416 D417S410-D413 PolarHBondContact O-N 2.69Å; S410-D413 PolarHBondContact OG-OD2 3.42Å; I411-D413 PolarHBondContact O-N 3.35Å; D413-V415 PolarHBondContact O-N 3.03Å; D413-R416 WeakPolarHBondContact O-CB 3.43Å; D413-R416 PolarHBondContact O-N 3.01Å; D413-D417 PolarHBondContact O-N 3.3Å
414C32.4Very low34.3Very low91 Ų91112.3 Ų112.362%0.61560%0.599SS**Hα-helixtrans-65.3-41.1176.9-156.70000111.9I411 S418I411-C414 PolarHBondContact O-N 3.1Å; C414-S418 WeakPolarHBondContact O-CB 3.15Å; C414-S418 PolarHBondContact O-N 3.05Å
415V33.4Very low34.7Very low84 Ų84109.1 Ų109.151%0.50958%0.583SS.*Hα-helixtrans-66.8-41.1173.5174.60000110.9I411 D413 S418 V419I411-V415 HydrophobicContact CG2-CG2 4.21Å; I411-V415 VanDerWaalsContact O-CG2 3.3Å; I411-V415 WeakPolarHBondContact O-CG2 3.38Å; I411-V415 PolarHBondContact O-N 3.12Å; D413-V415 PolarHBondContact O-N 3.03Å; V415-S418 PolarHBondContact O-N 3.16Å; V415-V419 HydrophobicContact CG1-CG2 4.37Å; V415-V419 WeakPolarHBondContact O-CB 3.44Å; V415-V419 VanDerWaalsContact O-CG2 3.27Å; V415-V419 WeakPolarHBondContact O-CG2 3.44Å; V415-V419 PolarHBondContact O-N 2.75Å
416R33.8Very low35Very low172 Ų172104.8 Ų104.865%0.64956%0.56SS**Hα-helixtrans-61.4-46178.2-167.8-178.4-162.1175.24.3111.4V412 D413 V419 V420V412-R416 VanDerWaalsContact O-CB 3.27Å; V412-R416 WeakPolarHBondContact O-CB 3.28Å; V412-R416 PolarHBondContact O-N 3.06Å; D413-R416 WeakPolarHBondContact O-CB 3.43Å; D413-R416 PolarHBondContact O-N 3.01Å; R416-V419 PolarHBondContact O-N 3.16Å; R416-V420 VanDerWaalsContact O-CG2 3.25Å; R416-V420 WeakPolarHBondContact O-CG2 3.34Å; R416-V420 PolarHBondContact O-N 3.41Å
417D38.9Very low35.1Very low103 Ų103103.8 Ų103.855%0.55155%0.553SS**Hα-helixtrans-67.5-38.9178.4-77.5-12.5000111.9D413 V419 V420 Q421D413-D417 PolarHBondContact O-N 3.3Å; D417-V419 PolarHBondContact O-N 2.99Å; D417-V420 PolarHBondContact O-N 3.01Å; D417-Q421 WeakPolarHBondContact O-CB 3.46Å; D417-Q421 WeakPolarHBondContact O-CG 3.32Å; D417-Q421 PolarHBondContact O-N 3.14Å
418S38.6Very low35.1Very low75 Ų75105 Ų10552%0.52455%0.552SS.*Hα-helixtrans-62.8-42.1174.9-163.10000111.9C414 V415 Q421 F422C414-S418 WeakPolarHBondContact O-CB 3.15Å; C414-S418 PolarHBondContact O-N 3.05Å; V415-S418 PolarHBondContact O-N 3.16Å; S418-Q421 PolarHBondContact O-N 2.61Å; S418-F422 WeakPolarHBondContact O-CB 3.39Å; S418-F422 PolarHBondContact O-N 3.19Å
419V38.3Very low35.1Very low81 Ų81107.2 Ų107.249%0.49156%0.555SS.*Hα-helixtrans-66.9-41.1174.8173.20000111.3V415 R416 D417 F422 V423V415-V419 HydrophobicContact CG1-CG2 4.37Å; V415-V419 WeakPolarHBondContact O-CB 3.44Å; V415-V419 VanDerWaalsContact O-CG2 3.27Å; V415-V419 WeakPolarHBondContact O-CG2 3.44Å; V415-V419 PolarHBondContact O-N 2.75Å; R416-V419 PolarHBondContact O-N 3.16Å; D417-V419 PolarHBondContact O-N 2.99Å; V419-F422 PolarHBondContact O-N 3.33Å; V419-V423 HydrophobicContact CG1-CG2 4.35Å; V419-V423 WeakPolarHBondContact O-CB 3.42Å; V419-V423 VanDerWaalsContact O-CG2 3.26Å; V419-V423 WeakPolarHBondContact O-CG2 3.43Å; V419-V423 PolarHBondContact O-N 3.47Å
420V41.5Very low35Very low69 Ų69110.1 Ų110.142%0.41856%0.558SS.*Hα-helixtrans-63.3-43.1176.5170.10000111R416 D417 V423 Q424R416-V420 VanDerWaalsContact O-CG2 3.25Å; R416-V420 WeakPolarHBondContact O-CG2 3.34Å; R416-V420 PolarHBondContact O-N 3.41Å; D417-V420 PolarHBondContact O-N 3.01Å; V420-V423 PolarHBondContact O-N 3.01Å; V420-Q424 WeakPolarHBondContact O-CB 3.45Å; V420-Q424 WeakPolarHBondContact O-CG 3.36Å; V420-Q424 PolarHBondContact O-N 3.42Å
421Q42.9Very low34.8Very low145 Ų145110.7 Ų110.768%0.67856%0.562SS**Hα-helixtrans-64.2-42.5174.9-77.7-169.35.500112D417 S418 Q424 G425D417-Q421 WeakPolarHBondContact O-CB 3.46Å; D417-Q421 WeakPolarHBondContact O-CG 3.32Å; D417-Q421 PolarHBondContact O-N 3.14Å; S418-Q421 PolarHBondContact O-N 2.61Å; Q421-Q424 PolarHBondContact O-N 3.06Å; Q421-G425 PolarHBondContact O-N 3.48Å
422F38.2Very low35Very low142 Ų142110.5 Ų110.562%0.62357%0.57SS**Hα-helixtrans-60.5-47.2175.9-178-104.4000111.4S418 V419 Q424 G425 I426S418-F422 WeakPolarHBondContact O-CB 3.39Å; S418-F422 PolarHBondContact O-N 3.19Å; V419-F422 PolarHBondContact O-N 3.33Å; F422-Q424 PolarHBondContact O-N 3.26Å; F422-G425 PolarHBondContact O-N 3.32Å; F422-I426 HydrophobicContact CD1-CD1 3.88Å; F422-I426 HydrophobicContact CE1-CD1 3.37Å; F422-I426 HydrophobicContact CE1-CG1 4.38Å; F422-I426 HydrophobicContact CE2-CD1 4.46Å; F422-I426 HydrophobicContact CZ-CD1 3.71Å; F422-I426 HydrophobicContact CZ-CG1 4.46Å; F422-I426 WeakPolarHBondContact O-CG1 3.48Å; F422-I426 PolarHBondContact O-N 3.38Å
423V37.4Very low35.2Very low53 Ų53113.9 Ų113.932%0.32158%0.576SS.*Hα-helixtrans-64.9-37.6177.5173.30000111.7V419 V420 I426 K427 I441V419-V423 HydrophobicContact CG1-CG2 4.35Å; V419-V423 WeakPolarHBondContact O-CB 3.42Å; V419-V423 VanDerWaalsContact O-CG2 3.26Å; V419-V423 WeakPolarHBondContact O-CG2 3.43Å; V419-V423 PolarHBondContact O-N 3.47Å; V420-V423 PolarHBondContact O-N 3.01Å; V423-I426 PolarHBondContact O-N 3.34Å; V423-K427 PolarHBondContact O-N 3.05Å; V423-I441 HydrophobicContact CG1-CD1 4.46Å
424Q38.1Very low35.1Very low103 Ų103122.3 Ų122.348%0.48160%0.603SS.*Hα-helixtrans-68.3-37.6173.1-79.3-174.15.300112.5V420 Q421 F422 I426 K427 R428V420-Q424 WeakPolarHBondContact O-CB 3.45Å; V420-Q424 WeakPolarHBondContact O-CG 3.36Å; V420-Q424 PolarHBondContact O-N 3.42Å; Q421-Q424 PolarHBondContact O-N 3.06Å; F422-Q424 PolarHBondContact O-N 3.26Å; Q424-I426 VanDerWaalsContact C-N 3.32Å; Q424-K427 WeakPolarHBondContact O-CB 3.47Å; Q424-K427 PolarHBondContact O-N 3.49Å; Q424-R428 PolarHBondContact O-N 3.4Å
425G32.6Very low34.9Very low37 Ų37122.8 Ų122.838%0.38160%0.603SS.*Hα-helixtrans-60.9-42.1174.300000111.8Q421 F422 R428 K429Q421-G425 PolarHBondContact O-N 3.48Å; F422-G425 PolarHBondContact O-N 3.32Å; G425-R428 PolarHBondContact O-N 3.19Å; G425-K429 PolarHBondContact O-N 3.42Å
426I31.4Very low34.6Very low75 Ų75130.4 Ų130.439%0.38562%0.623SS.*Hα-helixtrans-63.1-49171.6-67.6176.7000110.2F422 V423 Q424 R428 K429 F430F422-I426 HydrophobicContact CD1-CD1 3.88Å; F422-I426 HydrophobicContact CE1-CD1 3.37Å; F422-I426 HydrophobicContact CE1-CG1 4.38Å; F422-I426 HydrophobicContact CE2-CD1 4.46Å; F422-I426 HydrophobicContact CZ-CD1 3.71Å; F422-I426 HydrophobicContact CZ-CG1 4.46Å; F422-I426 WeakPolarHBondContact O-CG1 3.48Å; F422-I426 PolarHBondContact O-N 3.38Å; V423-I426 PolarHBondContact O-N 3.34Å; Q424-I426 VanDerWaalsContact C-N 3.32Å; I426-R428 PolarHBondContact O-N 2.95Å; I426-K429 PolarHBondContact O-N 3.49Å; I426-F430 HydrophobicContact CG2-CD2 3.79Å; I426-F430 HydrophobicContact CG2-CE2 3.89Å; I426-F430 WeakPolarHBondContact O-CD2 3.49Å; I426-F430 PolarHBondContact O-N 3.19Å
427K30Very low34.4Very low142 Ų142128.3 Ų128.362%0.61763%0.629SS**Hα-helixtrans-55-37.8177.7-84-176.3176179.80113.1V423 Q424 K429V423-K427 PolarHBondContact O-N 3.05Å; Q424-K427 WeakPolarHBondContact O-CB 3.47Å; Q424-K427 PolarHBondContact O-N 3.49Å; K427-K429 VanDerWaalsContact C-N 3.33Å; K427-K429 PolarHBondContact O-N 2.94Å
428R30.6Very low34Very low218 Ų218132.4 Ų132.482%0.82364%0.642SS**Hα-helixtrans-72.8-21.8-179.9-78.2-176.6177.2159.50.7113.8Q424 G425 I426Q424-R428 PolarHBondContact O-N 3.4Å; G425-R428 PolarHBondContact O-N 3.19Å; I426-R428 PolarHBondContact O-N 2.95Å
429K31.8Very low33.7Very low190 Ų190133 Ų13383%0.82664%0.644SS**Hα-helixtrans-95.2-8.3-178.9-72-167.4175.5-176.40114.6G425 I426 K427G425-K429 PolarHBondContact O-N 3.42Å; I426-K429 PolarHBondContact O-N 3.49Å; K427-K429 VanDerWaalsContact C-N 3.33Å; K427-K429 PolarHBondContact O-N 2.94Å
430F30.6Very low33.2Very low163 Ų163136.2 Ų136.272%0.71566%0.658SS**  trans-10899.3178-78.2-80.5000112.5I426I426-F430 HydrophobicContact CG2-CD2 3.79Å; I426-F430 HydrophobicContact CG2-CE2 3.89Å; I426-F430 WeakPolarHBondContact O-CD2 3.49Å; I426-F430 PolarHBondContact O-N 3.19Å
431S32Very low32.5Very low67 Ų67136.9 Ų136.947%0.46966%0.658SS.*  160103.9129-175.40000111.4K433 R434S431-K433 PolarHBondContact O-N 3.26Å; S431-K433 PolarHBondContact OG-N 2.77Å; S431-R434 PolarHBondContact OG-N 2.95Å
432P37.8Very low31.7Very low138 Ų138132.7 Ų132.790%0.89665%0.654SS**SBendtrans-74.7-8.2165.1-16.631.4000113.6
433K35.9Very low31.1Very low175 Ų175137 Ų13776%0.76167%0.666SS**SBendtrans-130.540.9-169.3-71.9-170.4176.7178.90114.2S431 T435S431-K433 PolarHBondContact O-N 3.26Å; S431-K433 PolarHBondContact OG-N 2.77Å; K433-T435 PolarHBondContact O-N 2.85Å; K433-T435 PolarHBondContact O-OG1 3.12Å
434R32.1Very low30.7Very low245 Ų245141.3 Ų141.393%0.92569%0.686SS**  trans39.321.9162.9-83.9-170.6177.9-1720.9118.3S431S431-R434 PolarHBondContact OG-N 2.95Å
435T26.6Very low30Very low102 Ų102142.3 Ų142.363%0.62669%0.694SS**  trans-110112.3179.326.70000106.1K433 V437K433-T435 PolarHBondContact O-N 2.85Å; K433-T435 PolarHBondContact O-OG1 3.12Å; T435-V437 PolarHBondContact O-N 2.95Å
436W28.6Very low29.6Very low243 Ų243149 Ų14992%0.9271%0.712SS**  trans-66.4100.7176.7-70.765.6000107.3K438W436-K438 PolarHBondContact O-N 3.24Å
437V29.3Very low29.2Very low129 Ų129150.7 Ų150.778%0.78273%0.728SS**  trans-63.4107.5163.2-179.40000105.3T435T435-V437 PolarHBondContact O-N 2.95Å
438K29.1Very low29Very low188 Ų188150.3 Ų150.382%0.81774%0.737SS**  trans-52.3127.4177.5-80.9-177.7177.4177.10108W436 L440W436-K438 PolarHBondContact O-N 3.24Å; K438-L440 PolarHBondContact O-N 2.98Å
439P32.3Very low28.8Very low87 Ų87144.2 Ų144.257%0.56573%0.728SS**  trans-61.9121.2-172.721.7-31000110.5I441 G442P439-I441 HydrophobicContact CB-CB 4.41Å; P439-I441 PolarHBondContact O-N 3.13Å; P439-G442 PolarHBondContact O-N 3.04Å
440L27.9Very low28.6Very low150 Ų150143.6 Ų143.679%0.78573%0.728SS**G310 helixtrans-58.4-12.5171.7-113.2128.3000113K438 G442 R443K438-L440 PolarHBondContact O-N 2.98Å; L440-G442 PolarHBondContact O-N 2.9Å; L440-R443 PolarHBondContact O-N 3.11Å
441I26.6Very low28.4Very low83 Ų83143.3 Ų143.343%0.42673%0.734SS.*G310 helixtrans-60.8-22.5174.3-72.5167.1000112.9V423 P439 R443 I444 L445V423-I441 HydrophobicContact CG1-CD1 4.46Å; P439-I441 HydrophobicContact CB-CB 4.41Å; P439-I441 PolarHBondContact O-N 3.13Å; I441-R443 PolarHBondContact O-N 3Å; I441-R443 VanDerWaalsContact O-N 3.08Å; I441-I444 PolarHBondContact O-N 2.98Å; I441-I444 VanDerWaalsContact O-N 3.17Å; I441-L445 HydrophobicContact CG2-CB 4.5Å; I441-L445 HydrophobicContact CG2-CD1 3.75Å; I441-L445 HydrophobicContact CG2-CG 4.29Å; I441-L445 PolarHBondContact O-N 2.87Å
442G26.6Very low28Very low57 Ų57148.9 Ų148.959%0.58875%0.753SS**G310 helixtrans-63.7-12.6178.600000115.6P439 L440P439-G442 PolarHBondContact O-N 3.04Å; L440-G442 PolarHBondContact O-N 2.9Å
443R26.9Very low27.5Very low232 Ų232150.2 Ų150.288%0.87575%0.751SS**G310 helixtrans-98-24.4173.2-77.2-171.8176.8175-0.1114.4L440 I441L440-R443 PolarHBondContact O-N 3.11Å; I441-R443 PolarHBondContact O-N 3Å; I441-R443 VanDerWaalsContact O-N 3.08Å
444I27.9Very low27Very low144 Ų144150.7 Ų150.774%0.73876%0.756SS**THydrogen-bonded Turntrans-89.9-31.3-174.5-56.7177.4000110.6I441I441-I444 PolarHBondContact O-N 2.98Å; I441-I444 VanDerWaalsContact O-N 3.17Å
445L23.5Very low26.7Very low123 Ų123147 Ų14764%0.64475%0.754SS**  trans-111.266.9178.3-61.2175.3000109.9I441 P447I441-L445 HydrophobicContact CG2-CB 4.5Å; I441-L445 HydrophobicContact CG2-CD1 3.75Å; I441-L445 HydrophobicContact CG2-CG 4.29Å; I441-L445 PolarHBondContact O-N 2.87Å; L445-P447 WeakPolarHBondContact O-CD 3.46Å
446K24.4Very low26.8Very low178 Ų178149.1 Ų149.177%0.77476%0.761SS**  trans-81.4103.9148.1-99.7-172.4175.9-174.50105.6V448K446-V448 PolarHBondContact O-N 2.88Å
447P23.4Very low26.5Very low111 Ų111142.7 Ų142.772%0.72176%0.76SS**  trans-55.8119.2164.424.4-31000106L445 S449L445-P447 WeakPolarHBondContact O-CD 3.46Å; P447-S449 PolarHBondContact O-N 3.39Å
448V26Very low26.5Very low133 Ų133145.4 Ų145.481%0.80676%0.761SS**  trans-65.398.2164.1178.40000103.8K446 E450K446-V448 PolarHBondContact O-N 2.88Å; V448-E450 PolarHBondContact O-N 3.05Å; V448-E450 VanDerWaalsContact O-N 3.11Å
449S26.4Very low26.2Very low90 Ų90147.4 Ų147.463%0.62976%0.764SS**  trans-63.2112.1170.650.50000106.8P447 N451P447-S449 PolarHBondContact O-N 3.39Å; S449-N451 PolarHBondContact O-N 3.31Å
450E27.1Very low25.9Very low178 Ų178149.5 Ų149.583%0.83278%0.777SS**THydrogen-bonded Turntrans-65.115.9-176.8-79.4-177.7143.100115.1V448V448-E450 PolarHBondContact O-N 3.05Å; V448-E450 VanDerWaalsContact O-N 3.11Å
451N26.3Very low25.8Very low156 Ų156153.1 Ų153.183%0.83478%0.781SS**THydrogen-bonded Turntrans-110.421.1-177.2-85.5-1.7000115.6S449S449-N451 PolarHBondContact O-N 3.31Å
452E23.8Very low25.7Very low185 Ų185156.8 Ų156.886%0.86480%0.801SS**  trans-108.944.3164.2-75-171.1164.300111.9
453L25.9Very low25.7Very low165 Ų165163.9 Ų163.986%0.86482%0.816SS**  trans-102.266157.4-85.7163.8000108.8
454Q26.9Very low25.6Very low185 Ų185157.4 Ų157.486%0.86481%0.812SS**  trans-129.5115.4155.4-74.3-155.914.400110.3N456Q454-N456 PolarHBondContact O-N 3.32Å
455L26Very low25.4Very low168 Ų168156 Ų15688%0.8882%0.815SS**  trans-37.5124166-91.974.5000111.6
456N27.8Very low25.5Very low146 Ų146155.6 Ų155.678%0.78182%0.818SS**  trans-154.597.4137.8-103.7-46.7000109.8Q454 K458Q454-N456 PolarHBondContact O-N 3.32Å; N456-K458 PolarHBondContact O-N 2.99Å
457A22.5Very low25.6Very low108 Ų108155.7 Ų155.789%0.89382%0.821SS**  trans-60.399.3163.900000109.2
458K28.5Very low25.7Very low186 Ų186155.7 Ų155.781%0.80982%0.823SS**  trans-126.8120.1162.6-83.3-176.2178.4173.90109.4N456N456-K458 PolarHBondContact O-N 2.99Å
459R22.6Very low25.6Very low231 Ų231155.4 Ų155.487%0.87282%0.824SS**  trans-30.5142.5179.1-84.6173.6169.6152.7-4.2114.9R461R459-R461 PolarHBondContact O-N 3.22Å; R459-R461 VanDerWaalsContact O-N 3.15Å
460P26Very low25.7Very low130 Ų130157.9 Ų157.984%0.84484%0.836SS**  trans-65.8114167.828.1-30.4000109.1
461R27.1Very low25.5Very low227 Ų227153.3 Ų153.386%0.85783%0.828SS**  trans-91.1121.5164.3-104-176.9-171.4159.32.2108.2R459 F463R459-R461 PolarHBondContact O-N 3.22Å; R459-R461 VanDerWaalsContact O-N 3.15Å; R461-F463 PolarHBondContact O-N 3.02Å
462N24.2Very low25.4Very low160 Ų160154.2 Ų154.286%0.85683%0.832SS**  trans-41.7119.5167.8-63.6-29.7000111.2
463F25.9Very low25.2Very low206 Ų206157.1 Ų157.190%0.90484%0.835SS**  trans-107.9122.4153-89.3-77.8000108.5R461R461-F463 PolarHBondContact O-N 3.02Å
464A25.5Very low25.1Very low95 Ų95154.1 Ų154.179%0.78583%0.828SS**  trans-64.7144.4-178.700000111.5T466A464-T466 PolarHBondContact O-N 3.24Å
465S22.7Very low24.7Very low115 Ų115149.8 Ų149.880%0.80482%0.824SS**  trans-46.9125.7164.6137.60000112.3
466T26.3Very low24.5Very low114 Ų114148.7 Ų148.770%0.69982%0.817SS**  trans-147.1136.314444.90000109.1A464A464-T466 PolarHBondContact O-N 3.24Å
467H26.3Very low24.2Very low181 Ų181148 Ų14884%0.83882%0.819SS**  trans88.676172.9-51.3-63.9000117.8
468S25.3Very low24.2Very low111 Ų111148.5 Ų148.578%0.77681%0.81SS**PPolyproline II helixtrans-71.3151.6144.449.70000111
469P25.3Very low23.9Very low127 Ų127145 Ų14583%0.82581%0.809SS**PPolyproline II helixtrans-89.5135.3-156.31.218.8000113.1
470T26.7Very low23.9Very low142 Ų142138.6 Ų138.687%0.87180%0.8SS**PPolyproline II helixtrans-64.1137.1170-51.30000111.2
471A23.1Very low23.8Very low81 Ų81138.2 Ų138.267%0.66980%0.797SS**PPolyproline II helixtrans-46.5136.5-179.900000115.7
472L24.5Very low23.7Very low175 Ų175134.9 Ų134.992%0.91680%0.795SS**  trans-121.2103.2145.7-82.1172.7000108.4
473R20.1Very low23.6Very low246 Ų246135.7 Ų135.793%0.92880%0.796SS**  trans-88.693.3179.2-166.1-176.7-163.6175.43.9106.4
474S23.2Very low23.6Very low103 Ų103130.9 Ų130.972%0.7279%0.787SS**  trans-110.1105.5167.529.70000108.8I476S474-I476 PolarHBondContact O-N 3.4Å
475A19.9Very low23.4Very low93 Ų93131.7 Ų131.777%0.76979%0.788SS**  trans-65.7113.8170.500000109.1
476I21.7Very low23.5Very low145 Ų145133.7 Ų133.774%0.74479%0.787SS**  trans-117.599.1160.1-59-180000106.1S474 V478S474-I476 PolarHBondContact O-N 3.4Å; I476-V478 HydrophobicContact CG2-CG2 4.06Å; I476-V478 PolarHBondContact O-N 3.01Å; I476-V478 VanDerWaalsContact O-N 3.16Å
477T21.4Very low23.3Very low133 Ų133132.7 Ų132.782%0.81679%0.785SS**  trans-67.699.2173.9-33.90000107.8
478V22.4Very low23.2Very low117 Ų117132.6 Ų132.671%0.70979%0.79SS**  trans-10199.9165.3-1720000106.8I476 S480I476-V478 HydrophobicContact CG2-CG2 4.06Å; I476-V478 PolarHBondContact O-N 3.01Å; I476-V478 VanDerWaalsContact O-N 3.16Å; V478-S480 PolarHBondContact O-N 3.47Å
479S22.3Very low23.1Very low112 Ų112132.5 Ų132.578%0.78379%0.785SS**  trans-55.7104.3170.446.50000109.7
480S23Very low23Very low97 Ų97133.6 Ų133.668%0.67878%0.784SS**  trans-80.1142.1163.4-62.30000108.6V478 I482V478-S480 PolarHBondContact O-N 3.47Å; S480-I482 PolarHBondContact O-N 3.42Å
481P23.6Very low23Very low122 Ų122132.6 Ų132.679%0.79278%0.777SS**  trans-61.1128.3178.624.8-31.2000109.5M483P481-M483 PolarHBondContact O-N 3.21Å
482I25.2Very low23Very low157 Ų157135.8 Ų135.881%0.80578%0.783SS**  trans-56.3105.2175.9-64164.4000107.4S480 S484S480-I482 PolarHBondContact O-N 3.42Å; I482-S484 PolarHBondContact O-N 3.08Å; I482-S484 VanDerWaalsContact O-N 3.15Å
483M22.3Very low22.9Very low178 Ų178138.8 Ų138.888%0.87778%0.782SS**  trans-66110161.6-77.9-164.567.700106.6P481 S485P481-M483 PolarHBondContact O-N 3.21Å; M483-S485 PolarHBondContact O-N 3.33Å
484S24.6Very low23.1Very low104 Ų104132.9 Ų132.973%0.72778%0.776SS**  trans-54.8104.2171.2-51.30000108.7I482 I486I482-S484 PolarHBondContact O-N 3.08Å; I482-S484 VanDerWaalsContact O-N 3.15Å; S484-I486 PolarHBondContact O-N 3.27Å
485S22.6Very low23.2Very low113 Ų113136.3 Ų136.379%0.7979%0.785SS**  trans-65.498.2172.851.50000108.3M483 S487M483-S485 PolarHBondContact O-N 3.33Å; S485-S487 PolarHBondContact O-N 2.99Å
486I23Very low23.3Very low156 Ų156134.8 Ų134.880%0.878%0.779SS**  trans-73.7106.8163.9-54.6173.4000105.1S484 L488S484-I486 PolarHBondContact O-N 3.27Å; I486-L488 PolarHBondContact O-N 2.95Å; I486-L488 VanDerWaalsContact O-N 3.14Å
487S22.8Very low23.4Very low93 Ų93133.2 Ų133.265%0.6578%0.781SS**  trans-58.5112.2175.952.60000109.6S485 T489S485-S487 PolarHBondContact O-N 2.99Å; S487-T489 VanDerWaalsContact C-N 3.32Å; S487-T489 PolarHBondContact O-N 3.47Å
488L24Very low23.5Very low179 Ų179135.6 Ų135.694%0.93779%0.788SS**  trans-68.891.2164.7-85.4146.6000107.9I486 D490I486-L488 PolarHBondContact O-N 2.95Å; I486-L488 VanDerWaalsContact O-N 3.14Å; L488-D490 PolarHBondContact O-N 2.76Å
489T24.5Very low23.5Very low109 Ų109138.4 Ų138.467%0.66979%0.793SS**  trans-77.2103.4164.539.80000108.7S487 T491S487-T489 VanDerWaalsContact C-N 3.32Å; S487-T489 PolarHBondContact O-N 3.47Å; T489-T491 PolarHBondContact O-N 3.22Å
490D22.3Very low23.5Very low150 Ų150143.3 Ų143.380%0.80280%0.801SS**  trans-49.1102.8164.1-108.2-31.8000109.9L488L488-D490 PolarHBondContact O-N 2.76Å
491T26.5Very low23.6Very low121 Ų121144.2 Ų144.274%0.74281%0.807SS**  trans-130.293.8165.437.50000108.4T489 R493T489-T491 PolarHBondContact O-N 3.22Å; T491-R493 PolarHBondContact O-N 2.96Å
492N22.9Very low23.5Very low149 Ų149144 Ų14480%0.79781%0.808SS**  trans-55.2103.3165.5-71.4-58.1000109.7
493R23.3Very low23.3Very low237 Ų237142.8 Ų142.889%0.89481%0.812SS**  trans-137.5107.2157.9-99.6-169.5178.7178.50.8110T491T491-R493 PolarHBondContact O-N 2.96Å
494P24.1Very low23.3Very low122 Ų122139.7 Ų139.779%0.79281%0.808SS**  trans-89.5109.3165.731.7-23.5000108.5
495L24.4Very low23.2Very low175 Ų175142.9 Ų142.992%0.91682%0.816SS**  trans-163.4136.5150.8-145.560.3000110.3
496G22.8Very low23.3Very low62 Ų62145.5 Ų145.564%0.63982%0.822SS**  trans-64.6176.7179.300000114.5
497S22.9Very low23.2Very low112 Ų112149.4 Ų149.478%0.78383%0.826SS**  trans59.386175.669.80000115.6
498L24.8Very low23.3Very low182 Ų182150.2 Ų150.295%0.95383%0.832SS**  trans-108.1117.2143.6-131.987.4000108
499E22.1Very low23.5Very low177 Ų177150.9 Ų150.983%0.82783%0.827SS**  trans-65.4153.9-173.1-65.9173.9142.700112.9S501E499-S501 PolarHBondContact O-N 2.9Å
500F22.1Very low23.4Very low214 Ų214151.6 Ų151.694%0.93984%0.837SS**  trans-51.3118.3177-63.8-92.2000112.9
501S25.2Very low23.5Very low116 Ų116154.8 Ų154.881%0.81184%0.839SS**  trans-92102.1155.862.70000109.1E499 C503E499-S501 PolarHBondContact O-N 2.9Å; S501-C503 PolarHBondContact O-N 3.44Å
502S20.9Very low23.5Very low117 Ų117154.2 Ų154.282%0.81884%0.84SS**  trans-57.3110.9170.448.50000111.3
503C20.4Very low23.7Very low132 Ų132152.3 Ų152.389%0.89284%0.838SS**  trans-91.2104168.3-144.40000108.4S501 L505S501-C503 PolarHBondContact O-N 3.44Å; C503-L505 PolarHBondContact O-N 3.45Å
504S22.1Very low23.7Very low113 Ų113147.4 Ų147.479%0.7983%0.83SS**  trans-68.3109177.752.80000110.3N506S504-N506 PolarHBondContact O-N 3.19Å
505L23.6Very low23.8Very low172 Ų172147 Ų14790%0.90183%0.827SS**  trans-76118.6171.8-143.4100.1000109.1C503 R507C503-L505 PolarHBondContact O-N 3.45Å; L505-R507 PolarHBondContact O-N 2.79Å
506N25.1Very low23.9Very low168 Ų168145.1 Ų145.190%0.89882%0.822SS**  trans-63.5130.9-177.5-120.2-30.7000111.4S504S504-N506 PolarHBondContact O-N 3.19Å
507R20.6Very low24.1Very low238 Ų238149.2 Ų149.290%0.89883%0.83SS**  trans-102.4111.3-168.7-174.5-171.4-163.8-173.45.9109.2L505L505-R507 PolarHBondContact O-N 2.79Å
508S25Very low24.3Very low109 Ų109150 Ų15076%0.76283%0.83SS**  trans171.6104150.649.80000113.1
509K27Very low24.3Very low193 Ų193147.1 Ų147.184%0.83982%0.822SS**  trans-172.397.3131-104.4172.1-175.4178.80109.2Y511K509-Y511 PolarHBondContact O-N 3.31Å
510S22.8Very low24.5Very low125 Ų125150.3 Ų150.387%0.87483%0.827SS**  trans-68.9113.5178.6-27.60000109.6
511Y25Very low24.7Very low217 Ų217145.6 Ų145.685%0.85182%0.82SS**  trans-99.6119.3157.2-82.7-82.5000108.2K509 S513K509-Y511 PolarHBondContact O-N 3.31Å; Y511-S513 PolarHBondContact O-N 3.25Å; Y511-S513 VanDerWaalsContact O-N 3.1Å
512S26.4Very low24.7Very low109 Ų109147.7 Ų147.776%0.76282%0.821SS**  trans-69.794.8173.7160.10000109.3N514S512-N514 PolarHBondContact O-N 2.9Å
513S27.2Very low25Very low109 Ų109147.5 Ų147.576%0.76282%0.817SS**  trans-80.3105164.157.20000108.7Y511Y511-S513 PolarHBondContact O-N 3.25Å; Y511-S513 VanDerWaalsContact O-N 3.1Å
514N23.6Very low25.1Very low133 Ų133148.2 Ų148.271%0.71181%0.81SS**  trans-59.3131.9166.1-81.7-30.2000109.1S512 V516S512-N514 PolarHBondContact O-N 2.9Å; N514-V516 PolarHBondContact O-N 3.34Å; N514-V516 VanDerWaalsContact O-N 3.08Å
515P26.8Very low25.2Very low113 Ų113148.7 Ų148.773%0.73481%0.808SS**  trans-68.3108.7178.626.4-31.2000109.2N517P515-N517 PolarHBondContact O-N 2.88Å; P515-N517 VanDerWaalsContact O-N 3.13Å
516V25.8Very low25.1Very low136 Ų136150.5 Ų150.582%0.82480%0.802SS**  trans-67.7109.8167.7176.70000106.7N514 T518N514-V516 PolarHBondContact O-N 3.34Å; N514-V516 VanDerWaalsContact O-N 3.08Å; V516-T518 PolarHBondContact O-N 3.49Å
517N26.7Very low25.1Very low148 Ų148150.6 Ų150.679%0.79180%0.797SS**  trans-54.3106.1173.7-75.5-40.8000109.4P515P515-N517 PolarHBondContact O-N 2.88Å; P515-N517 VanDerWaalsContact O-N 3.13Å
518T26.2Very low25.2Very low129 Ų129150.7 Ų150.779%0.79180%0.797SS**PPolyproline II helixtrans-61.51251699.10000108.2V516 R520V516-T518 PolarHBondContact O-N 3.49Å; T518-R520 PolarHBondContact O-N 3.38Å
519P26.4Very low25.2Very low122 Ų122153.7 Ų153.779%0.79280%0.799SS**PPolyproline II helixtrans-60.2127.9175.522.1-29.3000109S521P519-S521 PolarHBondContact O-N 3.44Å; P519-S521 VanDerWaalsContact O-N 3.17Å
520R26.1Very low25.1Very low244 Ų244155.9 Ų155.992%0.92180%0.802SS**PPolyproline II helixtrans-46.1121.8177.3-78.3177.9173.2175.6-2.5109.4T518 L522T518-R520 PolarHBondContact O-N 3.38Å; R520-L522 PolarHBondContact O-N 2.92Å
521S27Very low25.2Very low115 Ų115157.9 Ų157.980%0.80480%0.798SS**  trans-43.9120.7172.749.10000110.7P519P519-S521 PolarHBondContact O-N 3.44Å; P519-S521 VanDerWaalsContact O-N 3.17Å
522L25Very low25.1Very low159 Ų159158.8 Ų158.883%0.83280%0.8SS**  trans-58.3144.4171.1-73.5167.2000109.9R520 M524R520-L522 PolarHBondContact O-N 2.92Å; L522-M524 PolarHBondContact O-N 2.85Å
523P25.8Very low25Very low113 Ų113159.5 Ų159.573%0.73480%0.795SS**  trans-60.8120.7-178.523.2-31.6000110.4V525P523-V525 PolarHBondContact O-N 3.29Å
524M23.3Very low24.9Very low148 Ų148160.2 Ų160.273%0.72980%0.797SS**  trans-69.795.4175.9-148.2177.778.600108.2L522 R526L522-M524 PolarHBondContact O-N 2.85Å; M524-R526 VanDerWaalsContact C-N 3.34Å; M524-R526 HydrophobicContact CE-CG 4.04Å; M524-R526 PolarHBondContact O-N 3.01Å
525V23.5Very low25Very low123 Ų123160.7 Ų160.775%0.74580%0.799SS**  trans-67.495.2173.4179.40000107.6P523 H527P523-V525 PolarHBondContact O-N 3.29Å; V525-H527 PolarHBondContact O-N 3.27Å
526R22.7Very low25Very low210 Ų210164.3 Ų164.379%0.79281%0.806SS**  trans-68.698.6172.1-75.8-173.7176.5179.70.2108.3M524 R528M524-R526 VanDerWaalsContact C-N 3.34Å; M524-R526 HydrophobicContact CE-CG 4.04Å; M524-R526 PolarHBondContact O-N 3.01Å; R526-R528 PolarHBondContact O-N 3.37Å
527H23.5Very low24.9Very low170 Ų170166.1 Ų166.179%0.78781%0.805SS**  trans-64.1107.1163.2-115.7-88.1000108.1V525 E529V525-H527 PolarHBondContact O-N 3.27Å; H527-E529 PolarHBondContact O-N 3.27Å
528R23.3Very low24.8Very low240 Ų240165.7 Ų165.791%0.90681%0.807SS**  trans-68.786.1166.8-100.3-177170172.1-2.4107.6R526 R530R526-R528 PolarHBondContact O-N 3.37Å; R528-R530 PolarHBondContact O-N 2.92Å
529E25.6Very low24.8Very low172 Ų172163.4 Ų163.480%0.80479%0.793SS**  trans-70.3112164.3-163.5124-14600107.4H527 Q531H527-E529 PolarHBondContact O-N 3.27Å; E529-Q531 VanDerWaalsContact C-N 3.34Å; E529-Q531 PolarHBondContact O-N 3.17Å
530R25.4Very low24.6Very low239 Ų239162.1 Ų162.190%0.90279%0.787SS**  trans-64.493.3178-75.4179.4174.1-177.6-2.4108.6R528 R532R528-R530 PolarHBondContact O-N 2.92Å; R530-R532 PolarHBondContact O-N 3Å
531Q24.8Very low24.4Very low166 Ų166159.6 Ų159.678%0.77678%0.783SS**  trans-66.7101.9164.8-69.2-149-7.700108.6E529 N533E529-Q531 VanDerWaalsContact C-N 3.34Å; E529-Q531 PolarHBondContact O-N 3.17Å; Q531-N533 PolarHBondContact O-N 3.5Å
532R23.3Very low24.2Very low237 Ų237159.1 Ų159.189%0.89478%0.78SS**  trans-68.4104.6160.2-86.4-179.1168.8167.7-3.8106.5R530 P534R530-R532 PolarHBondContact O-N 3Å; R532-P534 WeakPolarHBondContact O-CD 3.26Å
533N24.2Very low24Very low124 Ų124159.9 Ų159.966%0.66379%0.785SS**  trans-65.7112.9167.5-76.4-19.7000109Q531 L535Q531-N533 PolarHBondContact O-N 3.5Å; N533-L535 VanDerWaalsContact C-N 3.26Å; N533-L535 PolarHBondContact O-N 2.99Å
534P25.1Very low23.9Very low124 Ų124159.9 Ų159.981%0.80579%0.787SS**  trans-88.875.5165.217.24.3000106.7R532R532-P534 WeakPolarHBondContact O-CD 3.26Å
535L24.5Very low23.8Very low142 Ų142157.6 Ų157.674%0.74379%0.786SS**  trans-123.784.3168.2-74.6176.7000106.6N533N533-L535 VanDerWaalsContact C-N 3.26Å; N533-L535 PolarHBondContact O-N 2.99Å
536H26.3Very low23.7Very low190 Ų190159 Ų15988%0.8879%0.787SS**  trans-178.194.1155.7-105.3-74.1000109.1
537E24.4Very low23.8Very low173 Ų173157.1 Ų157.181%0.80879%0.792SS**  trans-179.778.6132.4-106.3-176.2152.500108.3V539E537-V539 HydrophobicContact CB-CG2 4.17Å; E537-V539 HydrophobicContact CG-CG2 3.86Å; E537-V539 PolarHBondContact O-N 2.98Å
538V24.9Very low23.7Very low139 Ų139158.7 Ų158.784%0.84280%0.797SS**  trans-81.582.5156.8-179.80000105.2S540V538-S540 PolarHBondContact O-N 2.97Å
539V26.2Very low23.7Very low82 Ų82152.2 Ų152.250%0.49779%0.788SS.*  trans-84.798168.3-1760000106.7E537 F541E537-V539 HydrophobicContact CB-CG2 4.17Å; E537-V539 HydrophobicContact CG-CG2 3.86Å; E537-V539 PolarHBondContact O-N 2.98Å; V539-F541 HydrophobicContact CB-CE2 4.46Å; V539-F541 HydrophobicContact CG1-CD2 4.14Å; V539-F541 HydrophobicContact CG1-CE2 3.74Å; V539-F541 HydrophobicContact CG1-CZ 4.3Å; V539-F541 PolarHBondContact O-N 3.09Å
540S21.2Very low23.6Very low95 Ų95149.8 Ų149.866%0.66479%0.786SS**  trans-57102.1170.7-53.40000110V538 S542V538-S540 PolarHBondContact O-N 2.97Å; S540-S542 PolarHBondContact O-N 3.08Å
541F23.2Very low23.6Very low191 Ų191145.3 Ų145.384%0.83878%0.78SS**  trans-86.6101.9162.1-82.9-79.4000109V539V539-F541 HydrophobicContact CB-CE2 4.46Å; V539-F541 HydrophobicContact CG1-CD2 4.14Å; V539-F541 HydrophobicContact CG1-CE2 3.74Å; V539-F541 HydrophobicContact CG1-CZ 4.3Å; V539-F541 PolarHBondContact O-N 3.09Å
542S22.6Very low23.6Very low104 Ų104143 Ų14373%0.72778%0.779SS**  trans-60.1139.6170.8-60.90000111.4S540 S544S540-S542 PolarHBondContact O-N 3.08Å; S542-S544 PolarHBondContact O-N 3.25Å; S542-S544 VanDerWaalsContact O-N 3.12Å
543N20.2Very low23.7Very low176 Ų176137.5 Ų137.594%0.94177%0.772SS**  trans-55.7109.1168.7-72.8-38.2000110.9
544S24.1Very low23.8Very low113 Ų113140.5 Ų140.579%0.7978%0.782SS**  trans-113.4115.5161.161.90000109.9S542S542-S544 PolarHBondContact O-N 3.25Å; S542-S544 VanDerWaalsContact O-N 3.12Å
545S20.7Very low23.7Very low100 Ų100138.9 Ų138.970%0.69977%0.773SS**  trans-66146.1170.651.60000113.3
546I21.7Very low23.8Very low151 Ų151138 Ų13877%0.77478%0.776SS**  trans71.1109.6148.8-55.9152.5000117.2
547L25.7Very low23.6Very low171 Ų171134.1 Ų134.190%0.89577%0.771SS**  trans-163.2120.8131.4-106.1148.9000110.9
548K20.4Very low23.5Very low203 Ų203131.5 Ų131.588%0.88377%0.77SS**  trans-67.3126.7164.6-76.8170.9170.5175.40109
549S24.1Very low23.5Very low104 Ų104129.7 Ų129.773%0.72776%0.764SS**  trans-162.2111.8141.671.20000111.3
550T23.3Very low23.5Very low122 Ų122131.6 Ų131.675%0.74878%0.775SS**  trans23.2106.9131.941.90000118.1
551N24.2Very low23.8Very low145 Ų145132.4 Ų132.478%0.77578%0.776SS**  -179.1121.1119.2-85.2-23.7000109.1T553N551-T553 PolarHBondContact O-N 2.89Å
552P24.6Very low24Very low117 Ų117130.1 Ų130.176%0.7677%0.773SS**  trans-81.196.4175.431.6-28.3000108.8
553T25.4Very low24.3Very low121 Ų121129.7 Ų129.774%0.74277%0.77SS**  trans-98.787.3157.2-52.10000106.1N551 S555N551-T553 PolarHBondContact O-N 2.89Å; T553-S555 PolarHBondContact O-N 2.99Å
554E26.1Very low24.8Very low187 Ų187127.8 Ų127.887%0.87476%0.758SS**  trans-65.785.8175.6-73.5-178.7164.400109.3
555S24.9Very low25.3Very low90 Ų90129.4 Ų129.463%0.62976%0.758SS**  trans-77.7131156.9-56.40000107T553 S557T553-S555 PolarHBondContact O-N 2.99Å; S555-S557 PolarHBondContact O-N 3.17Å
556P24.9Very low26Very low124 Ų124133.5 Ų133.581%0.80576%0.763SS**  trans-65.9101.6-173.726-32000109.1C558P556-C558 PolarHBondContact O-N 2.9Å
557S23.1Very low27Very low109 Ų109135.1 Ų135.176%0.76277%0.768SS**  trans-77108.9169.548.80000107.3S555 S559S555-S557 PolarHBondContact O-N 3.17Å; S557-S559 VanDerWaalsContact C-N 3.35Å; S557-S559 PolarHBondContact O-N 3.48Å
558C22.6Very low28.3Very low117 Ų117136.3 Ų136.379%0.79177%0.765SS**  trans-59.8100.1168.7-640000108.2P556 V560P556-C558 PolarHBondContact O-N 2.9Å; C558-V560 PolarHBondContact O-N 3Å
559S24.2Very low30Very low102 Ų102131.8 Ų131.871%0.71376%0.757SS**  trans-68.687.8164.744.60000107.7S557 T561S557-S559 VanDerWaalsContact C-N 3.35Å; S557-S559 PolarHBondContact O-N 3.48Å; S559-T561 PolarHBondContact O-N 3.13Å
560V26.7Very low31.6Very low122 Ų122131 Ų13174%0.73974%0.744SS**  trans-66.189.1162.9-178.40000105.6C558 N562C558-V560 PolarHBondContact O-N 3Å; V560-N562 PolarHBondContact O-N 3.38Å; V560-N562 VanDerWaalsContact O-N 3.08Å
561T26.5Very low34.1Very low112 Ų112127.6 Ų127.669%0.68773%0.725SS**  trans-61113.5168.141.20000105.9S559 S563S559-T561 PolarHBondContact O-N 3.13Å; T561-S563 PolarHBondContact O-N 3.42Å
562N27.3Very low36.6Very low142 Ų142126.5 Ų126.576%0.75972%0.719SS**  trans-58.383.3167.9-83.2-26000108.1V560 I564V560-N562 PolarHBondContact O-N 3.38Å; V560-N562 VanDerWaalsContact O-N 3.08Å; N562-I564 HydrophobicContact CB-CG1 4.36Å; N562-I564 PolarHBondContact O-N 2.94Å
563S29Very low38.8Very low96 Ų96126.8 Ų126.867%0.67171%0.71SS**  trans-72.171.7160.5510000106.5T561 N565T561-S563 PolarHBondContact O-N 3.42Å; S563-N565 PolarHBondContact O-N 3.21Å
564I31.9Very low40.8Very low136 Ų136125.5 Ų125.570%0.69770%0.696SS**  trans-58.691.6156.2-62168.7000103.2N562 K566N562-I564 HydrophobicContact CB-CG1 4.36Å; N562-I564 PolarHBondContact O-N 2.94Å; I564-K566 PolarHBondContact O-N 2.96Å
565N33.6Very low42.8Very low146 Ų146121 Ų12178%0.78168%0.675SS**  trans-58.295.2170.8-105.1-22.2000104.3S563 Q567S563-N565 PolarHBondContact O-N 3.21Å; N565-Q567 VanDerWaalsContact C-N 3.31Å; N565-Q567 PolarHBondContact O-N 2.85Å
566K36.6Very low45.3Very low187 Ų187125 Ų12581%0.81368%0.676SS**  trans-52.4105.8170.3-72.5-179177.7178.50104.2I564 K568I564-K566 PolarHBondContact O-N 2.96Å; K566-K568 PolarHBondContact O-N 2.91Å
567Q41.6Very low47.3Very low185 Ų185123.2 Ų123.286%0.86466%0.659SS**  trans-46.2120.4173.3-80-177.6-2.800105.9N565 P569N565-Q567 VanDerWaalsContact C-N 3.31Å; N565-Q567 PolarHBondContact O-N 2.85Å; Q567-P569 VanDerWaalsContact O-CD 3.23Å; Q567-P569 WeakPolarHBondContact O-CD 3.46Å
568K52.9Low49.3Very low196 Ų196122.3 Ų122.385%0.85265%0.645SS**  trans-55.4114.9-173.9-164177.5-176.1-177.60105.8K566 L570K566-K568 PolarHBondContact O-N 2.91Å; K568-L570 PolarHBondContact O-N 2.96Å
569P57.6Low52Low108 Ų108123 Ų12370%0.70164%0.635SS**PPolyproline II helixtrans-57132.9-178.819.8-29.4000107.5Q567 S571Q567-P569 VanDerWaalsContact O-CD 3.23Å; Q567-P569 WeakPolarHBondContact O-CD 3.46Å; P569-S571 PolarHBondContact O-N 3.5Å
570L57.5Low54.4Low86 Ų86119.9 Ų119.945%0.4562%0.618SS.*PPolyproline II helixtrans-46.5132.6174.7-77.9155.4000108.5K568 E574 Q575 L578K568-L570 PolarHBondContact O-N 2.96Å; L570-E574 HydrophobicContact CB-CB 4.33Å; L570-E574 HydrophobicContact CD2-CB 3.7Å; L570-E574 HydrophobicContact CD2-CG 4.43Å; L570-Q575 HydrophobicContact CB-CG 3.56Å; L570-Q575 PolarHBondContact O-NE2 2.79Å; L570-L578 HydrophobicContact CD1-CD2 4.32Å
571S74.5Confident56Low52 Ų52121.8 Ų121.836%0.36461%0.613SS.*PPolyproline II helixtrans-58153174.667.40000110.1P569 H573 E574 Q575P569-S571 PolarHBondContact O-N 3.5Å; S571-H573 PolarHBondContact O-N 2.89Å; S571-E574 VanDerWaalsContact CB-OE2 3.3Å; S571-E574 WeakPolarHBondContact CB-OE2 3.43Å; S571-E574 PolarHBondContact N-OE2 2.86Å; S571-E574 PolarHBondContact O-N 3.24Å; S571-E574 VanDerWaalsContact OG-CD 3.29Å; S571-E574 VanDerWaalsContact OG-CG 3.29Å; S571-E574 WeakPolarHBondContact OG-CG 3.44Å; S571-E574 PolarHBondContact OG-N 3.22Å; S571-E574 PolarHBondContact OG-OE2 3.47Å; S571-Q575 WeakPolarHBondContact O-CG 3.35Å; S571-Q575 PolarHBondContact O-N 3.33Å
572N76.3Confident57.9Low121 Ų121120.4 Ų120.465%0.64760%0.601SS**Hα-helixtrans-55.7-21.5175.6-79-22.7000113.2R576N572-R576 PolarHBondContact O-N 3.04Å; N572-R576 PolarHBondContact O-NE 2.93Å
573H72.6Confident60.1Low123 Ų123117.8 Ų117.857%0.56959%0.587SS**Hα-helixtrans-76.9-50.4174.7-173.557.5000111.4S571 Q575 R576 I577S571-H573 PolarHBondContact O-N 2.89Å; H573-Q575 VanDerWaalsContact C-N 3.35Å; H573-Q575 PolarHBondContact O-N 3.44Å; H573-R576 WeakPolarHBondContact O-CB 3.44Å; H573-R576 PolarHBondContact O-N 3.38Å; H573-R576 VanDerWaalsContact O-N 3.09Å; H573-I577 WeakPolarHBondContact O-CG1 3.45Å; H573-I577 PolarHBondContact O-N 3.01Å
574E66.2Low61.9Low94 Ų94116.4 Ų116.444%0.43958%0.577SS.*Hα-helixtrans-62.3-40.5177.8-67.9160137.900111.9L570 S571 R576 I577 L578L570-E574 HydrophobicContact CB-CB 4.33Å; L570-E574 HydrophobicContact CD2-CB 3.7Å; L570-E574 HydrophobicContact CD2-CG 4.43Å; S571-E574 VanDerWaalsContact CB-OE2 3.3Å; S571-E574 WeakPolarHBondContact CB-OE2 3.43Å; S571-E574 PolarHBondContact N-OE2 2.86Å; S571-E574 PolarHBondContact O-N 3.24Å; S571-E574 VanDerWaalsContact OG-CD 3.29Å; S571-E574 VanDerWaalsContact OG-CG 3.29Å; S571-E574 WeakPolarHBondContact OG-CG 3.44Å; S571-E574 PolarHBondContact OG-N 3.22Å; S571-E574 PolarHBondContact OG-OE2 3.47Å; E574-R576 VanDerWaalsContact C-N 3.25Å; E574-R576 PolarHBondContact O-N 3.08Å; E574-I577 PolarHBondContact O-N 3.31Å; E574-L578 WeakPolarHBondContact O-CB 3.34Å; E574-L578 PolarHBondContact O-N 3.2Å
575Q68.8Low63.3Low92 Ų92114.2 Ų114.243%0.4357%0.566SS.*Hα-helixtrans-60.5-36.7174.4-67-176.418.400112L570 S571 H573 K579L570-Q575 HydrophobicContact CB-CG 3.56Å; L570-Q575 PolarHBondContact O-NE2 2.79Å; S571-Q575 WeakPolarHBondContact O-CG 3.35Å; S571-Q575 PolarHBondContact O-N 3.33Å; H573-Q575 VanDerWaalsContact C-N 3.35Å; H573-Q575 PolarHBondContact O-N 3.44Å; Q575-K579 VanDerWaalsContact O-CB 3.25Å; Q575-K579 WeakPolarHBondContact O-CB 3.28Å; Q575-K579 PolarHBondContact O-N 3.19Å
576R78Confident64.5Low174 Ų174110.7 Ų110.766%0.65755%0.547SS*.Hα-helixtrans-69.2-41.5176.9-116.3-179.2-76164.9-9.2111.9N572 H573 E574 G580N572-R576 PolarHBondContact O-N 3.04Å; N572-R576 PolarHBondContact O-NE 2.93Å; H573-R576 WeakPolarHBondContact O-CB 3.44Å; H573-R576 PolarHBondContact O-N 3.38Å; H573-R576 VanDerWaalsContact O-N 3.09Å; E574-R576 VanDerWaalsContact C-N 3.25Å; E574-R576 PolarHBondContact O-N 3.08Å; R576-G580 PolarHBondContact O-N 3.33Å
577I66.6Low66Low88 Ų88107.6 Ų107.645%0.45154%0.536SS..Hα-helixtrans-63.6-49175.9-66.5169000110H573 E574 K579 G580 Y581H573-I577 WeakPolarHBondContact O-CG1 3.45Å; H573-I577 PolarHBondContact O-N 3.01Å; E574-I577 PolarHBondContact O-N 3.31Å; I577-K579 VanDerWaalsContact C-N 3.33Å; I577-K579 PolarHBondContact O-N 3.17Å; I577-G580 PolarHBondContact O-N 3.47Å; I577-G580 VanDerWaalsContact O-N 3.13Å; I577-Y581 HydrophobicContact CG2-CD2 4.43Å; I577-Y581 PolarHBondContact O-N 2.95Å
578L64.3Low66.8Low89 Ų89101.7 Ų101.747%0.46651%0.509SS..Hα-helixtrans-60.6-43.7179.8-176.563.2000111.3L570 E574 G580 Y581 I582L570-L578 HydrophobicContact CD1-CD2 4.32Å; E574-L578 WeakPolarHBondContact O-CB 3.34Å; E574-L578 PolarHBondContact O-N 3.2Å; L578-G580 PolarHBondContact O-N 3.09Å; L578-Y581 WeakPolarHBondContact O-CB 3.44Å; L578-Y581 PolarHBondContact O-N 3.44Å; L578-I582 HydrophobicContact CD1-CD1 4.43Å; L578-I582 HydrophobicContact CG-CD1 4.06Å; L578-I582 WeakPolarHBondContact O-CG1 3.27Å; L578-I582 PolarHBondContact O-N 3.01Å
579K79.4Confident67.1Low133 Ų133102.3 Ų102.358%0.57851%0.506SS*.Hα-helixtrans-59.9-44.7174.4-172.1-179.2178.2-167.80111.8Q575 I577 Y581 I582 D583Q575-K579 VanDerWaalsContact O-CB 3.25Å; Q575-K579 WeakPolarHBondContact O-CB 3.28Å; Q575-K579 PolarHBondContact O-N 3.19Å; I577-K579 VanDerWaalsContact C-N 3.33Å; I577-K579 PolarHBondContact O-N 3.17Å; K579-Y581 VanDerWaalsContact C-N 3.29Å; K579-Y581 PolarHBondContact O-N 3.2Å; K579-I582 PolarHBondContact O-N 3.23Å; K579-D583 WeakPolarHBondContact O-CB 3.5Å; K579-D583 VanDerWaalsContact O-CG 3.27Å; K579-D583 PolarHBondContact O-N 2.72Å
580G74.1Confident67.3Low35 Ų35106.9 Ų106.936%0.36151%0.509SS..Hα-helixtrans-60.3-37.3175.900000113.1R576 I577 L578 S584R576-G580 PolarHBondContact O-N 3.33Å; I577-G580 PolarHBondContact O-N 3.47Å; I577-G580 VanDerWaalsContact O-N 3.13Å; L578-G580 PolarHBondContact O-N 3.09Å; G580-S584 WeakPolarHBondContact O-CB 3.25Å; G580-S584 PolarHBondContact O-N 2.8Å; G580-S584 VanDerWaalsContact O-N 3.08Å; G580-S584 PolarHBondContact O-OG 2.81Å
581Y61.2Low67.5Low162 Ų162105.3 Ų105.364%0.63550%0.501SS*.Hα-helixtrans-66.2-47.2174.5-112.7-80.5000112.3I577 L578 K579 D583 S584 I585I577-Y581 HydrophobicContact CG2-CD2 4.43Å; I577-Y581 PolarHBondContact O-N 2.95Å; L578-Y581 WeakPolarHBondContact O-CB 3.44Å; L578-Y581 PolarHBondContact O-N 3.44Å; K579-Y581 VanDerWaalsContact C-N 3.29Å; K579-Y581 PolarHBondContact O-N 3.2Å; Y581-D583 VanDerWaalsContact C-N 3.34Å; Y581-D583 PolarHBondContact O-N 3.23Å; Y581-S584 WeakPolarHBondContact O-CB 3.37Å; Y581-S584 PolarHBondContact O-N 3.22Å; Y581-I585 WeakPolarHBondContact O-CG1 3.3Å; Y581-I585 PolarHBondContact O-N 2.99Å
582I65.9Low66.5Low84 Ų84106.9 Ų106.943%0.43151%0.51SS..Hα-helixtrans-61.4-44.1178.2-68.4167.7000110.8L578 K579 S584 I585 N586L578-I582 HydrophobicContact CD1-CD1 4.43Å; L578-I582 HydrophobicContact CG-CD1 4.06Å; L578-I582 WeakPolarHBondContact O-CG1 3.27Å; L578-I582 PolarHBondContact O-N 3.01Å; K579-I582 PolarHBondContact O-N 3.23Å; I582-S584 VanDerWaalsContact C-N 3.29Å; I582-S584 PolarHBondContact O-N 3.04Å; I582-I585 PolarHBondContact O-N 3.4Å; I582-N586 PolarHBondContact O-N 2.72Å; I582-N586 PolarHBondContact O-ND2 2.73Å
583D74.5Confident65.5Low86 Ų86106.9 Ų106.946%0.4651%0.514SS..Hα-helixtrans-61.8-39.8177.7-70.7-20.4000110.9K579 Y581 N586 E587K579-D583 WeakPolarHBondContact O-CB 3.5Å; K579-D583 VanDerWaalsContact O-CG 3.27Å; K579-D583 PolarHBondContact O-N 2.72Å; Y581-D583 VanDerWaalsContact C-N 3.34Å; Y581-D583 PolarHBondContact O-N 3.23Å; D583-N586 PolarHBondContact O-N 3.01Å; D583-E587 PolarHBondContact O-N 3.07Å
584S65.6Low65Low67 Ų67105.9 Ų105.947%0.46951%0.513SS..Hα-helixtrans-65.4-43176.7-56.60000112.6G580 Y581 I582 N586 E587 I588G580-S584 WeakPolarHBondContact O-CB 3.25Å; G580-S584 PolarHBondContact O-N 2.8Å; G580-S584 VanDerWaalsContact O-N 3.08Å; G580-S584 PolarHBondContact O-OG 2.81Å; Y581-S584 WeakPolarHBondContact O-CB 3.37Å; Y581-S584 PolarHBondContact O-N 3.22Å; I582-S584 VanDerWaalsContact C-N 3.29Å; I582-S584 PolarHBondContact O-N 3.04Å; S584-N586 VanDerWaalsContact C-N 3.33Å; S584-N586 PolarHBondContact O-N 3.06Å; S584-E587 WeakPolarHBondContact O-CB 3.27Å; S584-E587 PolarHBondContact O-N 2.73Å; S584-I588 WeakPolarHBondContact O-CG1 3.5Å; S584-I588 PolarHBondContact O-N 3.08Å
585I61Low64.6Low91 Ų91110 Ų11047%0.46753%0.532SS..Hα-helixtrans-63.4-40.8176.9-68.5169.2000111Y581 I582 E587 I588 R589Y581-I585 WeakPolarHBondContact O-CG1 3.3Å; Y581-I585 PolarHBondContact O-N 2.99Å; I582-I585 PolarHBondContact O-N 3.4Å; I585-E587 VanDerWaalsContact C-N 3.3Å; I585-E587 PolarHBondContact O-N 3.06Å; I585-I588 PolarHBondContact O-N 2.95Å; I585-R589 PolarHBondContact O-N 2.69Å
586N60.1Low64.4Low71 Ų71112 Ų11238%0.3855%0.546SS..Hα-helixtrans-67.4-32.1177.4-75-34.6000112.5I582 D583 S584 R590I582-N586 PolarHBondContact O-N 2.72Å; I582-N586 PolarHBondContact O-ND2 2.73Å; D583-N586 PolarHBondContact O-N 3.01Å; S584-N586 VanDerWaalsContact C-N 3.33Å; S584-N586 PolarHBondContact O-N 3.06Å; N586-R590 WeakPolarHBondContact O-CG 3.25Å; N586-R590 PolarHBondContact O-N 3.04Å
587E68.4Low63.4Low123 Ų123106 Ų10658%0.57553%0.527SS*.Hα-helixtrans-66.7-47.9174.3-139-86.8150.400110.7D583 S584 I585 R589 R590D583-E587 PolarHBondContact O-N 3.07Å; S584-E587 WeakPolarHBondContact O-CB 3.27Å; S584-E587 PolarHBondContact O-N 2.73Å; I585-E587 VanDerWaalsContact C-N 3.3Å; I585-E587 PolarHBondContact O-N 3.06Å; E587-R589 VanDerWaalsContact C-N 3.31Å; E587-R589 PolarHBondContact O-N 2.97Å; E587-R590 WeakPolarHBondContact O-CB 3.38Å; E587-R590 PolarHBondContact O-N 2.87Å
588I58.3Low63.1Low61 Ų61107.5 Ų107.531%0.31353%0.53SS..Hα-helixtrans-58.9-41.9175.9-63.9160.6000111.3S584 I585 R590 I591 L601 F605S584-I588 WeakPolarHBondContact O-CG1 3.5Å; S584-I588 PolarHBondContact O-N 3.08Å; I585-I588 PolarHBondContact O-N 2.95Å; I588-R590 PolarHBondContact O-N 3.42Å; I588-I591 PolarHBondContact O-N 2.97Å; I588-I591 VanDerWaalsContact O-N 3.16Å; I588-L601 HydrophobicContact CG2-CD2 4.07Å; I588-F605 HydrophobicContact CD1-CE2 4.04Å; I588-F605 HydrophobicContact CD1-CZ 3.56Å
589R57.6Low62.9Low209 Ų209106.4 Ų106.479%0.78953%0.53SS*.THydrogen-bonded Turntrans-62-21176.7-92.9-174.7166.6-174.7-2.7114.2I585 E587I585-R589 PolarHBondContact O-N 2.69Å; E587-R589 VanDerWaalsContact C-N 3.31Å; E587-R589 PolarHBondContact O-N 2.97Å
590R63.1Low62Low203 Ų203106.2 Ų106.277%0.76653%0.531SS*.THydrogen-bonded Turntrans-86.9-15.7178.3-73.2176.6179.5168.91.6113.3N586 E587 I588 P592N586-R590 WeakPolarHBondContact O-CG 3.25Å; N586-R590 PolarHBondContact O-N 3.04Å; E587-R590 WeakPolarHBondContact O-CB 3.38Å; E587-R590 PolarHBondContact O-N 2.87Å; I588-R590 PolarHBondContact O-N 3.42Å; R590-P592 VanDerWaalsContact O-CD 3.28Å; R590-P592 WeakPolarHBondContact O-CD 3.47Å
591I61.5Low61.1Low54 Ų54106.6 Ų106.628%0.27752%0.524SS..SBendtrans-69.7117.7179.3-58.1174.5000107.8I588 V593 N597 L601I588-I591 PolarHBondContact O-N 2.97Å; I588-I591 VanDerWaalsContact O-N 3.16Å; I591-V593 PolarHBondContact O-N 3.28Å; I591-N597 HydrophobicContact CG2-CB 3.91Å; I591-L601 HydrophobicContact CD1-CD2 4.44Å
592P53.7Low61Low84 Ų84105 Ų10555%0.54552%0.517SS..  trans-58.2130.4175.6-18.830.1000109.4R590 N594 N597R590-P592 VanDerWaalsContact O-CD 3.28Å; R590-P592 WeakPolarHBondContact O-CD 3.47Å; P592-N594 VanDerWaalsContact C-N 3.27Å; P592-N594 PolarHBondContact O-N 2.73Å; P592-N597 PolarHBondContact O-ND2 2.71Å
593V55.7Low60.8Low122 Ų122108.7 Ų108.774%0.73953%0.53SS*.  trans-75.884.8178.5-1730000108.7I591 F598I591-V593 PolarHBondContact O-N 3.28Å; V593-F598 HydrophobicContact CG1-CD2 4.45Å
594N60.9Low59.6Low101 Ų101108.9 Ų108.954%0.5454%0.539SS..  trans-100.1154.7162.9-71.80.5000108.7P592 D596 N597 F598P592-N594 VanDerWaalsContact C-N 3.27Å; P592-N594 PolarHBondContact O-N 2.73Å; N594-D596 PolarHBondContact O-N 3.12Å; N594-N597 PolarHBondContact O-N 2.85Å; N594-F598 PolarHBondContact O-N 2.91Å
595E57.9Low59Low180 Ų180111.2 Ų111.284%0.84154%0.54SS*.Hα-helixtrans-53.2-39.8-179-80.6-168.1150.700112.8F598 S599E595-F598 PolarHBondContact O-N 2.81Å; E595-S599 PolarHBondContact O-N 2.87Å; E595-S599 VanDerWaalsContact O-N 3.1Å
596D65.6Low58.5Low136 Ų136114.5 Ų114.573%0.72756%0.559SS**Hα-helixtrans-62.1-45.5177.9-64.1-34.2000112.1N594 F598 S599 E600N594-D596 PolarHBondContact O-N 3.12Å; D596-F598 VanDerWaalsContact C-N 3.34Å; D596-F598 PolarHBondContact O-N 2.89Å; D596-S599 PolarHBondContact O-N 2.8Å; D596-E600 PolarHBondContact O-N 2.94Å; D596-E600 VanDerWaalsContact O-N 3.14Å
597N56.5Low57.5Low47 Ų47118.3 Ų118.325%0.25158%0.578SS.*Hα-helixtrans-67.3-35.8179.4-68.9-11.5000111.6I591 P592 N594 E600 L601I591-N597 HydrophobicContact CG2-CB 3.91Å; P592-N597 PolarHBondContact O-ND2 2.71Å; N594-N597 PolarHBondContact O-N 2.85Å; N597-E600 PolarHBondContact O-N 3.06Å; N597-L601 WeakPolarHBondContact O-CB 3.48Å; N597-L601 WeakPolarHBondContact O-CG 3.38Å; N597-L601 PolarHBondContact O-N 3.08Å
598F59.4Low57Low120 Ų120118.1 Ų118.153%0.52658%0.579SS.*Hα-helixtrans-66.2-41.1177.5-166-95.5000111.3V593 N594 E595 D596 E600 L601 R602V593-F598 HydrophobicContact CG1-CD2 4.45Å; N594-F598 PolarHBondContact O-N 2.91Å; E595-F598 PolarHBondContact O-N 2.81Å; D596-F598 VanDerWaalsContact C-N 3.34Å; D596-F598 PolarHBondContact O-N 2.89Å; F598-E600 VanDerWaalsContact C-N 3.32Å; F598-E600 PolarHBondContact O-N 3.07Å; F598-L601 PolarHBondContact O-N 3.29Å; F598-R602 WeakPolarHBondContact O-CB 3.23Å; F598-R602 PolarHBondContact O-N 3.06Å
599S60Low56.9Low65 Ų65121.1 Ų121.146%0.45559%0.593SS.*Hα-helixtrans-63.7-37.8176.2-143.40000112E595 D596 K603E595-S599 PolarHBondContact O-N 2.87Å; E595-S599 VanDerWaalsContact O-N 3.1Å; D596-S599 PolarHBondContact O-N 2.8Å; S599-K603 WeakPolarHBondContact O-CG 3.3Å; S599-K603 PolarHBondContact O-N 2.79Å; S599-K603 VanDerWaalsContact O-N 3.12Å
600E61.7Low56.8Low129 Ų129116.2 Ų116.260%0.60358%0.582SS**Hα-helixtrans-72.3-42.4177.1-163168.9-155.700112.9D596 N597 F598 R602 K603 S604D596-E600 PolarHBondContact O-N 2.94Å; D596-E600 VanDerWaalsContact O-N 3.14Å; N597-E600 PolarHBondContact O-N 3.06Å; F598-E600 VanDerWaalsContact C-N 3.32Å; F598-E600 PolarHBondContact O-N 3.07Å; E600-R602 VanDerWaalsContact C-N 3.34Å; E600-R602 PolarHBondContact O-N 3.11Å; E600-K603 PolarHBondContact O-N 3.49Å; E600-S604 WeakPolarHBondContact O-CB 3.17Å; E600-S604 PolarHBondContact O-N 2.91Å; E600-S604 PolarHBondContact O-OG 3.35Å
601L54.9Low56.5Low43 Ų43111.1 Ų111.123%0.22557%0.571CS.*Hα-helixtrans-58.6-46.7171.2-82.8162.6000110.9I588 I591 N597 F598 K603 S604 F605I588-L601 HydrophobicContact CG2-CD2 4.07Å; I591-L601 HydrophobicContact CD1-CD2 4.44Å; N597-L601 WeakPolarHBondContact O-CB 3.48Å; N597-L601 WeakPolarHBondContact O-CG 3.38Å; N597-L601 PolarHBondContact O-N 3.08Å; F598-L601 PolarHBondContact O-N 3.29Å; L601-K603 VanDerWaalsContact C-N 3.3Å; L601-K603 PolarHBondContact O-N 3.28Å; L601-S604 PolarHBondContact O-N 3.44Å; L601-S604 VanDerWaalsContact O-N 3.07Å; L601-F605 HydrophobicContact CD2-CD2 4.15Å; L601-F605 HydrophobicContact CD2-CE2 3.76Å; L601-F605 VanDerWaalsContact O-CD2 3.32Å; L601-F605 WeakPolarHBondContact O-CD2 3.29Å; L601-F605 PolarHBondContact O-N 3.17Å
602R59.4Low56.2Low129 Ų129114.6 Ų114.649%0.48759%0.589SS.*Hα-helixtrans-58.8-42179.1-164.9176.3-169.5158.613.3111.9F598 E600 N606 L607F598-R602 WeakPolarHBondContact O-CB 3.23Å; F598-R602 PolarHBondContact O-N 3.06Å; E600-R602 VanDerWaalsContact C-N 3.34Å; E600-R602 PolarHBondContact O-N 3.11Å; R602-N606 PolarHBondContact O-N 2.91Å; R602-N606 VanDerWaalsContact O-N 3.11Å; R602-L607 HydrophobicContact CG-CB 3.7Å; R602-L607 WeakPolarHBondContact CG-O 3.1Å; R602-L607 PolarHBondContact NE-O 2.83Å; R602-L607 PolarHBondContact NE-OXT 2.85Å; R602-L607 PolarHBondContact NH2-OXT 3.17Å; R602-L607 VanDerWaalsContact NH2-OXT 3.11Å; R602-L607 PolarHBondContact O-N 3.15Å
603K60.8Low56.3Low161 Ų161116.7 Ų116.770%0.759%0.592SS**Hα-helixtrans-66.7-38.5173.5-75.8175.4-177.5170.60113.2S599 E600 L601 F605S599-K603 WeakPolarHBondContact O-CG 3.3Å; S599-K603 PolarHBondContact O-N 2.79Å; S599-K603 VanDerWaalsContact O-N 3.12Å; E600-K603 PolarHBondContact O-N 3.49Å; L601-K603 VanDerWaalsContact C-N 3.3Å; L601-K603 PolarHBondContact O-N 3.28Å; K603-F605 VanDerWaalsContact C-N 3.32Å
604S50.4Low56.4Low91 Ų91116.3 Ų116.364%0.63658%0.582SS**Hα-helixtrans-68.7-33.4-179.5-61.70000112.4E600 L601E600-S604 WeakPolarHBondContact O-CB 3.17Å; E600-S604 PolarHBondContact O-N 2.91Å; E600-S604 PolarHBondContact O-OG 3.35Å; L601-S604 PolarHBondContact O-N 3.44Å; L601-S604 VanDerWaalsContact O-N 3.07Å
605F52.7Low56Low115 Ų115117.5 Ų117.550%0.50459%0.585SS.*Hα-helixtrans-98.32.6-179-73.4-75.7000114.6I588 L601 K603 L607I588-F605 HydrophobicContact CD1-CE2 4.04Å; I588-F605 HydrophobicContact CD1-CZ 3.56Å; L601-F605 HydrophobicContact CD2-CD2 4.15Å; L601-F605 HydrophobicContact CD2-CE2 3.76Å; L601-F605 VanDerWaalsContact O-CD2 3.32Å; L601-F605 WeakPolarHBondContact O-CD2 3.29Å; L601-F605 PolarHBondContact O-N 3.17Å; K603-F605 VanDerWaalsContact C-N 3.32Å; F605-L607 HydrophobicContact CB-CD1 3.84Å; F605-L607 HydrophobicContact CB-CG 3.92Å; F605-L607 PolarHBondContact O-N 2.98Å
606N49.9Very low55.9Low160 Ų160112.3 Ų112.386%0.85656%0.563SS**THydrogen-bonded Turntrans53.438.5-173.5-89.6-19.3000113.1R602R602-N606 PolarHBondContact O-N 2.91Å; R602-N606 VanDerWaalsContact O-N 3.11Å
607L39.2Very low55Low151 Ų151110.1 Ų110.179%0.79155%0.549SS*.  trans-88.20-179.8-78.1169.3000114.4R602 F605R602-L607 HydrophobicContact CG-CB 3.7Å; R602-L607 WeakPolarHBondContact CG-O 3.1Å; R602-L607 PolarHBondContact NE-O 2.83Å; R602-L607 PolarHBondContact NE-OXT 2.85Å; R602-L607 PolarHBondContact NH2-OXT 3.17Å; R602-L607 VanDerWaalsContact NH2-OXT 3.11Å; R602-L607 PolarHBondContact O-N 3.15Å; F605-L607 HydrophobicContact CB-CD1 3.84Å; F605-L607 HydrophobicContact CB-CG 3.92Å; F605-L607 PolarHBondContact O-N 2.98Å

Retrieved 607 of 607 residues in 189.1 ms (Link to these results)

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