A0A3Q0KE47_SCHMA Loading...

Putative serine/arginine rich splicing factor AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KE47, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 210 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
1M39.3Very low76.3Confident226 Ų22685.5 Ų85.5100%1.11340%0.4SS*.  0110.40-69.9-75.2155.900108R3M1-R3 PolarHBondContact O-N 3.15Å
2P52.7Low77.7Confident124 Ų12486.4 Ų86.481%0.80540%0.404SS*.  trans-55.1136.3171.324.3-31.3000108.8R4P2-R4 PolarHBondContact O-N 3.45Å
3R54.3Low78.7Confident214 Ų21479.8 Ų79.881%0.80837%0.373SS*.  trans-62.5122.2174.3-64.5-69.9-178162.8-1.2106.2M1 S5M1-R3 PolarHBondContact O-N 3.15Å; R3-S5 PolarHBondContact O-N 3.2Å
4R63.7Low79.5Confident156 Ų15674.5 Ų74.559%0.58935%0.349SS*.  trans-57.9111.5-179.6-66163.7169.2-124.2-3.3107.7P2 P57 E61P2-R4 PolarHBondContact O-N 3.45Å; R4-P57 HydrophobicContact CB-CB 3.84Å; R4-E61 WeakPolarHBondContact CD-OE1 3.12Å; R4-E61 WeakPolarHBondContact CG-OE1 3.45Å; R4-E61 IonicContact CZ-OE1 3.72Å; R4-E61 IonicContact CZ-OE2 3.77Å; R4-E61 VanDerWaalsContact CZ-OE2 3.3Å; R4-E61 IonicContact NE-OE1 2.93Å; R4-E61 PolarHBondContact NE-OE1 2.95Å; R4-E61 IonicContact NH1-OE1 2.67Å; R4-E61 PolarHBondContact NH1-OE1 3.48Å; R4-E61 IonicContact NH1-OE2 2.6Å; R4-E61 PolarHBondContact NH1-OE2 3.46Å; R4-E61 IonicContact NH2-OE2 3.51Å
5S76.5Confident79.9Confident28 Ų2874.7 Ų74.720%0.19635%0.353CS..  trans-74.9127.7177.1-630000107.8R3 S7 F81 T82R3-S5 PolarHBondContact O-N 3.2Å; S5-S7 PolarHBondContact O-N 3.26Å; S5-F81 WeakPolarHBondContact O-CD1 3.5Å; S5-T82 PolarHBondContact OG-O 2.6Å
6S88.2Confident80.4Confident33 Ų3375.9 Ų75.923%0.23137%0.367CS..SBendtrans-76.54.9170.5-45.70000112.7F54S6-F54 VanDerWaalsContact CB-O 3.25Å; S6-F54 WeakPolarHBondContact CB-O 3.06Å; S6-F54 WeakPolarHBondContact O-CB 3.39Å; S6-F54 PolarHBondContact O-N 2.67Å
7S91.3Very high80.9Confident15 Ų1571.5 Ų71.511%0.10535%0.346CS..EExtended strand (participates in β ladder)trans-116.4131.5-175.3-50.30000111.1S5 I52 T82S5-S7 PolarHBondContact O-N 3.26Å; S7-I52 CarbonylContact C-O 3.53Å; S7-I52 VanDerWaalsContact CA-O 3.29Å; S7-I52 WeakPolarHBondContact CA-O 3.45Å; S7-T82 WeakPolarHBondContact CB-OG1 3.42Å; S7-T82 PolarHBondContact O-N 3.44Å; S7-T82 PolarHBondContact O-OG1 3.01Å
8L93Very high81.4Confident0 Ų077.2 Ų77.20%036%0.363CS..EExtended strand (participates in β ladder)trans-106.5143.9177.9-58.9-175.4000111F26 F51 I52 F54 A60 A63 H64 V79 E80 F81L8-F26 HydrophobicContact CD1-CD1 4.4Å; L8-F26 HydrophobicContact CD1-CE1 4.3Å; L8-F51 WeakPolarHBondContact O-CA 3.48Å; L8-I52 PolarHBondContact N-O 3.29Å; L8-I52 PolarHBondContact O-N 3.27Å; L8-F54 HydrophobicContact CD1-CD2 4.34Å; L8-F54 HydrophobicContact CD1-CE2 3.64Å; L8-F54 HydrophobicContact CG-CD2 4.38Å; L8-F54 HydrophobicContact CG-CE2 4.11Å; L8-A60 HydrophobicContact CD2-CB 4.22Å; L8-A60 HydrophobicContact CG-CB 4.31Å; L8-A63 HydrophobicContact CD1-CB 3.82Å; L8-H64 HydrophobicContact CD2-CB 4.16Å; L8-V79 HydrophobicContact CB-CG1 4.14Å; L8-V79 HydrophobicContact CD1-CG1 3.83Å; L8-V79 HydrophobicContact CD2-CG1 4.41Å; L8-V79 HydrophobicContact CG-CG1 4.36Å; L8-E80 CarbonylContact C-O 3.58Å; L8-F81 HydrophobicContact CD2-CD1 3.71Å; L8-F81 HydrophobicContact CD2-CE1 3.73Å; L8-F81 HydrophobicContact CD2-CG 4.38Å; L8-F81 HydrophobicContact CD2-CZ 4.39Å
9Y93.4Very high82Confident58 Ų5877.6 Ų77.623%0.22737%0.365CS..EExtended strand (participates in β ladder)trans-108.5120.7172175.2-130.3000108.7R11 Y49 F51 V79 E80Y9-R11 HydrophobicContact CD1-CG 3.81Å; Y9-R11 VanDerWaalsContact CE1-CD 3.43Å; Y9-R11 HydrophobicContact CE1-CG 3.23Å; Y9-R11 HydrophobicContact CE2-CG 4.29Å; Y9-Y49 AromaticContact CE2-CD2 3.66Å; Y9-Y49 HydrophobicContact CE2-CD2 3.66Å; Y9-Y49 AromaticContact CE2-CG 3.91Å; Y9-Y49 HydrophobicContact CE2-CG 3.91Å; Y9-F51 AromaticContact CD2-CD1 4Å; Y9-F51 HydrophobicContact CD2-CD1 4Å; Y9-F51 AromaticContact CD2-CE1 3.17Å; Y9-F51 HydrophobicContact CD2-CE1 3.17Å; Y9-F51 HydrophobicContact CD2-CE2 4.27Å; Y9-F51 AromaticContact CD2-CZ 3.31Å; Y9-F51 HydrophobicContact CD2-CZ 3.31Å; Y9-F51 AromaticContact CE2-CE1 3.83Å; Y9-F51 HydrophobicContact CE2-CE1 3.83Å; Y9-F51 HydrophobicContact CE2-CE2 4.36Å; Y9-F51 AromaticContact CE2-CZ 3.47Å; Y9-F51 HydrophobicContact CE2-CZ 3.47Å; Y9-F51 VanDerWaalsContact CE2-CZ 3.47Å; Y9-F51 AromaticContact CG-CE1 3.96Å; Y9-F51 HydrophobicContact CG-CE1 3.96Å; Y9-F51 HydrophobicContact CG-CZ 4.44Å; Y9-V79 WeakPolarHBondContact O-CA 3.11Å; Y9-E80 HydrophobicContact CD1-CB 4.43Å; Y9-E80 PolarHBondContact N-O 3.23Å; Y9-E80 PolarHBondContact O-N 3.2Å
10I93.5Very high82.5Confident0 Ų078.3 Ų78.30%037%0.371CS..EExtended strand (participates in β ladder)trans-112.2127.3-177.6-53.7161000108.6L13 L22 F26 Y49 A50 I52 I77 E78 V79I10-L13 HydrophobicContact CB-CD1 4.35Å; I10-L13 HydrophobicContact CG2-CD1 4.16Å; I10-L13 HydrophobicContact CG2-CD2 3.76Å; I10-L13 HydrophobicContact CG2-CG 3.88Å; I10-L22 HydrophobicContact CD1-CD2 4.17Å; I10-F26 HydrophobicContact CD1-CD2 4.15Å; I10-F26 HydrophobicContact CD1-CE1 3.96Å; I10-F26 HydrophobicContact CD1-CE2 3.42Å; I10-F26 VanDerWaalsContact CD1-CE2 3.42Å; I10-F26 HydrophobicContact CD1-CZ 3.32Å; I10-F26 HydrophobicContact CG1-CE1 4.43Å; I10-F26 HydrophobicContact CG1-CE2 4.43Å; I10-F26 HydrophobicContact CG1-CZ 3.89Å; I10-Y49 CarbonylContact O-C 3.59Å; I10-Y49 WeakPolarHBondContact O-CA 3.47Å; I10-Y49 VanDerWaalsContact O-CB 3.24Å; I10-Y49 WeakPolarHBondContact O-CB 3.1Å; I10-A50 PolarHBondContact N-O 2.98Å; I10-A50 PolarHBondContact O-N 3.38Å; I10-I52 HydrophobicContact CD1-CD1 3.33Å; I10-I52 HydrophobicContact CD1-CG1 3.68Å; I10-I77 HydrophobicContact CG2-CB 4.16Å; I10-I77 HydrophobicContact CG2-CD1 4.13Å; I10-I77 HydrophobicContact CG2-CG2 4.49Å; I10-E78 CarbonylContact C-O 3.56Å; I10-E78 WeakPolarHBondContact CA-O 3.38Å; I10-V79 HydrophobicContact CG1-CG1 4.46Å; I10-V79 HydrophobicContact CG1-CG2 4.34Å; I10-V79 HydrophobicContact CG2-CG2 4.43Å
11R93.5Very high83Confident86 Ų8676.3 Ų76.333%0.32536%0.363SS..EExtended strand (participates in β ladder)trans-111.7163.5-179.8-57172.771.4178.8-3111.3Y9 L13 E78Y9-R11 HydrophobicContact CD1-CG 3.81Å; Y9-R11 VanDerWaalsContact CE1-CD 3.43Å; Y9-R11 HydrophobicContact CE1-CG 3.23Å; Y9-R11 HydrophobicContact CE2-CG 4.29Å; R11-L13 VanDerWaalsContact C-N 3.25Å; R11-L13 PolarHBondContact O-N 3.17Å; R11-E78 HydrophobicContact CB-CB 4.23Å; R11-E78 WeakPolarHBondContact CD-OE1 3.24Å; R11-E78 IonicContact CZ-OE1 2.97Å; R11-E78 PolarHBondContact N-O 3.47Å; R11-E78 IonicContact NE-OE1 3.61Å; R11-E78 IonicContact NH1-OE1 3.54Å; R11-E78 PolarHBondContact NH1-OE1 2.97Å; R11-E78 IonicContact NH1-OE2 3.84Å; R11-E78 PolarHBondContact O-N 3Å
12H92.5Very high85.5Confident97 Ų9765.6 Ų65.645%0.44931%0.31SS..SBendtrans62.130.8177.4-50147.6000113.7G48 D76 E78H12-G48 PolarHBondContact N-O 3.02Å; H12-D76 WeakPolarHBondContact CB-O 3.42Å; H12-E78 IonicContact CE1-OE2 3.86Å
13L91.9Very high87.5Confident1 Ų165.5 Ų65.51%0.00529%0.294CS..  trans-66.7142.2175.6-72.2175.2000111.3I10 R11 C17 L22 G48 A50 F72 I77I10-L13 HydrophobicContact CB-CD1 4.35Å; I10-L13 HydrophobicContact CG2-CD1 4.16Å; I10-L13 HydrophobicContact CG2-CD2 3.76Å; I10-L13 HydrophobicContact CG2-CG 3.88Å; R11-L13 VanDerWaalsContact C-N 3.25Å; R11-L13 PolarHBondContact O-N 3.17Å; L13-C17 HydrophobicContact CB-CB 4.48Å; L13-L22 HydrophobicContact CD1-CD1 4.18Å; L13-L22 HydrophobicContact CD1-CD2 4.26Å; L13-L22 HydrophobicContact CD2-CD2 4Å; L13-G48 PolarHBondContact N-O 2.81Å; L13-A50 HydrophobicContact CD1-CB 3.32Å; L13-F72 HydrophobicContact CD2-CD1 3.98Å; L13-F72 HydrophobicContact CD2-CE1 4.07Å; L13-I77 HydrophobicContact CD2-CG2 3.84Å
14P89.3Confident89.3Confident5 Ų563.5 Ų63.53%0.03229%0.286CS..  trans-70.6146173.821-19.5000111.4T16 C17 F72 M73 R75P14-T16 PolarHBondContact O-N 3.13Å; P14-C17 HydrophobicContact CG-CB 4.32Å; P14-C17 WeakPolarHBondContact O-CB 3.4Å; P14-C17 PolarHBondContact O-N 3.03Å; P14-F72 HydrophobicContact CG-CD1 4.04Å; P14-F72 HydrophobicContact CG-CE1 4.22Å; P14-M73 HydrophobicContact CG-CB 3.75Å; P14-M73 HydrophobicContact CG-CG 4.4Å; P14-M73 HydrophobicContact CG-SD 4.15Å; P14-R75 HydrophobicContact CB-CG 4.42Å
15D86.2Confident90.7Very high78 Ų7857.5 Ų57.542%0.41727%0.268SS..THydrogen-bonded Turntrans-59.9-12.6-179.9-5529.9000113.5M46 R75D15-M46 WeakPolarHBondContact CA-SD 3.45Å; D15-M46 HydrophobicContact CB-CG 4.46Å; D15-M46 WeakPolarHBondContact O-CE 3.47Å; D15-R75 IonicContact OD1-CZ 3.11Å; D15-R75 IonicContact OD1-NH1 3.2Å; D15-R75 PolarHBondContact OD1-NH1 2.8Å; D15-R75 IonicContact OD1-NH2 3.75Å
16T87.3Confident91.5Very high93 Ų9356.1 Ų56.157%0.57126%0.258SS*.THydrogen-bonded Turntrans-90.6-8.5177.253.10000113.6P14 R18P14-T16 PolarHBondContact O-N 3.13Å; T16-R18 PolarHBondContact O-N 2.92Å
17C89.2Confident91.7Very high2 Ų256.2 Ų56.21%0.01426%0.264CS..  trans-67.9126.1-172.7-177.80000112.7L13 P14 M46 F72 M73L13-C17 HydrophobicContact CB-CB 4.48Å; P14-C17 HydrophobicContact CG-CB 4.32Å; P14-C17 WeakPolarHBondContact O-CB 3.4Å; P14-C17 PolarHBondContact O-N 3.03Å; C17-M46 HydrophobicContact CB-SD 3.92Å; C17-M46 WeakPolarHBondContact O-CE 3.44Å; C17-F72 HydrophobicContact CB-CE1 4.08Å; C17-F72 VanDerWaalsContact SG-CE1 3.5Å; C17-M73 HydrophobicContact CB-SD 4.47Å
18R89.7Confident91.8Very high173 Ų17363.7 Ų63.765%0.65329%0.29SS*.  trans-105.4162.8175.3-62.4-175.4171-169.5-1.4112.1T16 D20 D21 L22T16-R18 PolarHBondContact O-N 2.92Å; R18-D20 PolarHBondContact O-N 3.21Å; R18-D21 WeakPolarHBondContact CB-OD2 3.09Å; R18-D21 PolarHBondContact N-OD2 3.23Å; R18-D21 PolarHBondContact O-N 3.31Å; R18-D21 VanDerWaalsContact O-N 3.07Å; R18-L22 PolarHBondContact O-N 3.11Å
19H91.7Very high91.8Very high85 Ų8566 Ų6639%0.39430%0.3SS..Hα-helixtrans-54.2-38.4173.9-63.784.3000111.5D21 R23 V35 I37H19-D21 VanDerWaalsContact C-N 3.34Å; H19-D21 PolarHBondContact O-N 3.2Å; H19-R23 WeakPolarHBondContact O-CB 2.91Å; H19-R23 WeakPolarHBondContact O-CG 3.49Å; H19-R23 PolarHBondContact O-N 2.95Å; H19-V35 PolarHBondContact CD2-O 2.75Å; H19-I37 HydrophobicContact CB-CD1 4.46Å; H19-I37 PolarHBondContact NE2-N 3.39Å
20D92.8Very high91.8Very high91 Ų9164.1 Ų64.149%0.48730%0.297SS..Hα-helixtrans-65.6-33.7178.8-58.6-68.2000113.4R18 R23 R24R18-D20 PolarHBondContact O-N 3.21Å; D20-R23 PolarHBondContact O-N 2.89Å; D20-R24 WeakPolarHBondContact O-CB 3.38Å; D20-R24 VanDerWaalsContact O-CG 3.3Å; D20-R24 WeakPolarHBondContact O-CG 3.34Å; D20-R24 PolarHBondContact O-N 2.9Å; D20-R24 PolarHBondContact O-NE 3.18Å
21D92.6Very high91.8Very high38 Ų3872.5 Ų72.520%0.20333%0.329CS..Hα-helixtrans-73.4-42.7-178.2-54.4-42000110.2R18 H19 R24 C25 F72R18-D21 WeakPolarHBondContact CB-OD2 3.09Å; R18-D21 PolarHBondContact N-OD2 3.23Å; R18-D21 PolarHBondContact O-N 3.31Å; R18-D21 VanDerWaalsContact O-N 3.07Å; H19-D21 VanDerWaalsContact C-N 3.34Å; H19-D21 PolarHBondContact O-N 3.2Å; D21-R24 PolarHBondContact O-N 3.4Å; D21-R24 IonicContact OD1-NH2 3.93Å; D21-C25 WeakPolarHBondContact O-CB 3.47Å; D21-C25 PolarHBondContact O-N 2.93Å; D21-F72 HydrophobicContact CB-CZ 3.9Å
22L93Very high91.8Very high0 Ų070.1 Ų70.10%032%0.322CS..Hα-helixtrans-61-44.6171.3-67.1-179.4000111.3I10 L13 R18 R24 C25 F26 V35 I37 A50 I52 F72I10-L22 HydrophobicContact CD1-CD2 4.17Å; L13-L22 HydrophobicContact CD1-CD1 4.18Å; L13-L22 HydrophobicContact CD1-CD2 4.26Å; L13-L22 HydrophobicContact CD2-CD2 4Å; R18-L22 PolarHBondContact O-N 3.11Å; L22-R24 VanDerWaalsContact C-N 3.33Å; L22-R24 PolarHBondContact O-N 3.47Å; L22-C25 PolarHBondContact O-N 3.36Å; L22-F26 HydrophobicContact CD2-CD2 4.27Å; L22-F26 HydrophobicContact CD2-CE2 3.97Å; L22-F26 WeakPolarHBondContact O-CB 3.27Å; L22-F26 WeakPolarHBondContact O-CD2 3.33Å; L22-F26 PolarHBondContact O-N 2.85Å; L22-V35 HydrophobicContact CB-CG1 4.14Å; L22-V35 HydrophobicContact CD1-CG1 3.84Å; L22-I37 HydrophobicContact CD1-CD1 3.82Å; L22-I37 HydrophobicContact CD1-CG1 3.93Å; L22-A50 HydrophobicContact CD1-CB 3.47Å; L22-A50 VanDerWaalsContact CD1-CB 3.47Å; L22-I52 HydrophobicContact CB-CD1 4.02Å; L22-F72 HydrophobicContact CD2-CZ 4.19Å
23R93.7Very high91.8Very high123 Ų12369.1 Ų69.146%0.46432%0.323SS..Hα-helixtrans-60.9-40.7177-77.3-178.1171.4-146.3-5.1112.4H19 D20 G27 I32 V35H19-R23 WeakPolarHBondContact O-CB 2.91Å; H19-R23 WeakPolarHBondContact O-CG 3.49Å; H19-R23 PolarHBondContact O-N 2.95Å; D20-R23 PolarHBondContact O-N 2.89Å; R23-G27 WeakPolarHBondContact O-CA 3.19Å; R23-G27 PolarHBondContact O-N 2.88Å; R23-I32 HydrophobicContact CB-CD1 4.46Å; R23-I32 HydrophobicContact CG-CD1 4.36Å; R23-V35 HydrophobicContact CG-CG2 3.68Å
24R92.7Very high91.7Very high171 Ų17170.9 Ų70.965%0.64533%0.332SS*.Hα-helixtrans-69.1-41.6177.7-78.4-177.1-95.1-140.23.9112.8D20 D21 L22D20-R24 WeakPolarHBondContact O-CB 3.38Å; D20-R24 VanDerWaalsContact O-CG 3.3Å; D20-R24 WeakPolarHBondContact O-CG 3.34Å; D20-R24 PolarHBondContact O-N 2.9Å; D20-R24 PolarHBondContact O-NE 3.18Å; D21-R24 PolarHBondContact O-N 3.4Å; D21-R24 IonicContact OD1-NH2 3.93Å; L22-R24 VanDerWaalsContact C-N 3.33Å; L22-R24 PolarHBondContact O-N 3.47Å
25C91.8Very high91.9Very high30 Ų3071 Ų7120%0.20333%0.333CS..Hα-helixtrans-72.3-49.1-179.4-77.80000112.2D21 L22 R28 M67 F72D21-C25 WeakPolarHBondContact O-CB 3.47Å; D21-C25 PolarHBondContact O-N 2.93Å; L22-C25 PolarHBondContact O-N 3.36Å; C25-R28 WeakPolarHBondContact O-CG 3.34Å; C25-R28 PolarHBondContact O-NE 3.31Å; C25-R28 VanDerWaalsContact O-NE 3.11Å; C25-M67 HydrophobicContact CB-CE 4.18Å; C25-F72 HydrophobicContact CB-CD2 4.49Å; C25-F72 HydrophobicContact CB-CE2 4.08Å; C25-F72 VanDerWaalsContact SG-CE2 3.55Å
26F93.2Very high92.1Very high0 Ų069.6 Ų69.60%033%0.327CS..Hα-helixtrans-83.7-24.3-176.3-73.5-92.3000113.2L8 I10 L22 R28 Y29 I32 I52 F54 A63 M67 I77 V79L8-F26 HydrophobicContact CD1-CD1 4.4Å; L8-F26 HydrophobicContact CD1-CE1 4.3Å; I10-F26 HydrophobicContact CD1-CD2 4.15Å; I10-F26 HydrophobicContact CD1-CE1 3.96Å; I10-F26 HydrophobicContact CD1-CE2 3.42Å; I10-F26 VanDerWaalsContact CD1-CE2 3.42Å; I10-F26 HydrophobicContact CD1-CZ 3.32Å; I10-F26 HydrophobicContact CG1-CE1 4.43Å; I10-F26 HydrophobicContact CG1-CE2 4.43Å; I10-F26 HydrophobicContact CG1-CZ 3.89Å; L22-F26 HydrophobicContact CD2-CD2 4.27Å; L22-F26 HydrophobicContact CD2-CE2 3.97Å; L22-F26 WeakPolarHBondContact O-CB 3.27Å; L22-F26 WeakPolarHBondContact O-CD2 3.33Å; L22-F26 PolarHBondContact O-N 2.85Å; F26-R28 PolarHBondContact O-N 2.81Å; F26-R28 VanDerWaalsContact O-N 3.13Å; F26-Y29 WeakPolarHBondContact O-CD2 3.5Å; F26-Y29 PolarHBondContact O-N 3.31Å; F26-Y29 VanDerWaalsContact O-N 3.17Å; F26-I32 HydrophobicContact CB-CD1 3.95Å; F26-I52 HydrophobicContact CB-CD1 3.71Å; F26-I52 HydrophobicContact CD1-CD1 3.9Å; F26-I52 HydrophobicContact CD2-CD1 3.27Å; F26-I52 HydrophobicContact CE1-CD1 4.36Å; F26-I52 HydrophobicContact CE2-CD1 3.81Å; F26-I52 HydrophobicContact CG-CD1 3.33Å; F26-I52 HydrophobicContact CZ-CD1 4.33Å; F26-F54 HydrophobicContact CB-CZ 3.97Å; F26-F54 HydrophobicContact CD1-CZ 4.23Å; F26-A63 HydrophobicContact CD1-CB 4.15Å; F26-M67 HydrophobicContact CD1-CG 4.17Å; F26-M67 HydrophobicContact CE1-CB 3.78Å; F26-M67 HydrophobicContact CE1-CE 4.5Å; F26-M67 HydrophobicContact CE1-CG 3.77Å; F26-M67 HydrophobicContact CE2-CE 3.98Å; F26-M67 HydrophobicContact CZ-CB 3.99Å; F26-M67 HydrophobicContact CZ-CE 3.95Å; F26-M67 HydrophobicContact CZ-CG 4.12Å; F26-I77 HydrophobicContact CZ-CD1 4.2Å; F26-V79 HydrophobicContact CE1-CG1 4.44Å; F26-V79 HydrophobicContact CE1-CG2 4.37Å; F26-V79 HydrophobicContact CZ-CG2 4.15Å
27G93Very high92.3Very high35 Ų3565.8 Ų65.836%0.36130%0.303SS..THydrogen-bonded Turntrans-68.2-11.6-178.800000114.3R23 Y29R23-G27 WeakPolarHBondContact O-CA 3.19Å; R23-G27 PolarHBondContact O-N 2.88Å; G27-Y29 VanDerWaalsContact C-N 3.3Å
28R93.4Very high92.3Very high172 Ų17267 Ų6765%0.64931%0.311SS*.THydrogen-bonded Turntrans-71-25.6173.776.8-178.365.4-172.5-5113.1C25 F26C25-R28 WeakPolarHBondContact O-CG 3.34Å; C25-R28 PolarHBondContact O-NE 3.31Å; C25-R28 VanDerWaalsContact O-NE 3.11Å; F26-R28 PolarHBondContact O-N 2.81Å; F26-R28 VanDerWaalsContact O-N 3.13Å
29Y93.5Very high92.3Very high49 Ų4963.9 Ų63.919%0.19231%0.307CS..THydrogen-bonded Turntrans-89.6-27.3-177.2-55.2-72.7000111.8F26 G27 A63 Y66 M67F26-Y29 WeakPolarHBondContact O-CD2 3.5Å; F26-Y29 PolarHBondContact O-N 3.31Å; F26-Y29 VanDerWaalsContact O-N 3.17Å; G27-Y29 VanDerWaalsContact C-N 3.3Å; Y29-A63 HydrophobicContact CD2-CB 3.73Å; Y29-A63 HydrophobicContact CG-CB 3.88Å; Y29-Y66 AromaticContact CD1-CD2 4Å; Y29-Y66 HydrophobicContact CD1-CD2 4Å; Y29-Y66 AromaticContact CE1-CD2 3.61Å; Y29-Y66 HydrophobicContact CE1-CD2 3.61Å; Y29-Y66 AromaticContact CE1-CG 3.84Å; Y29-Y66 HydrophobicContact CE1-CG 3.84Å; Y29-Y66 WeakPolarHBondContact OH-CB 3.33Å; Y29-M67 HydrophobicContact CD2-CG 4.26Å; Y29-M67 HydrophobicContact CE2-CG 3.33Å; Y29-M67 HydrophobicContact CE2-SD 3.59Å; Y29-M67 VanDerWaalsContact CE2-SD 3.59Å; Y29-M67 PolarHBondContact OH-SD 2.93Å
30G92.8Very high92.1Very high17 Ų1762.2 Ų62.218%0.17530%0.301CS..SBendtrans175.8-17317500000113.9
31R94.5Very high91.6Very high176 Ų17666.7 Ų66.766%0.66432%0.316SS*.  trans-78.3125-175.6-69.4-179.3174.8-163.2-0110.9F54 E55R31-F54 WeakPolarHBondContact O-CA 3.32Å; R31-E55 HydrophobicContact CB-CB 4.1Å; R31-E55 WeakPolarHBondContact CB-OE2 3.26Å; R31-E55 WeakPolarHBondContact CD-OE2 3.48Å; R31-E55 PolarHBondContact O-N 3.41Å
32I93.4Very high91.2Very high36 Ų3673.4 Ų73.419%0.18534%0.344CS..EExtended strand (participates in β ladder)trans-94.4122.6178.8-59.7169.1000109.3R23 F26 D34 V35 I52 E53 F54R23-I32 HydrophobicContact CB-CD1 4.46Å; R23-I32 HydrophobicContact CG-CD1 4.36Å; F26-I32 HydrophobicContact CB-CD1 3.95Å; I32-D34 WeakPolarHBondContact CG2-O 3.38Å; I32-V35 HydrophobicContact CG2-CG2 3.54Å; I32-I52 HydrophobicContact CD1-CG2 4.25Å; I32-I52 HydrophobicContact CG1-CG2 4.08Å; I32-I52 HydrophobicContact CG2-CG2 3.85Å; I32-E53 CarbonylContact C-O 3.52Å; I32-E53 WeakPolarHBondContact CA-O 3.44Å; I32-E53 WeakPolarHBondContact CG2-O 3.39Å; I32-F54 HydrophobicContact CG1-CD1 4.31Å; I32-F54 HydrophobicContact CG1-CE1 4Å; I32-F54 HydrophobicContact CG1-CZ 4.44Å
33V92Very high90.8Very high76 Ų7677.5 Ų77.546%0.46137%0.369SS..EExtended strand (participates in β ladder)trans-76.4-52175177.10000110E53 E55V33-E53 HydrophobicContact CB-CB 4.27Å; V33-E53 HydrophobicContact CB-CG 4.05Å; V33-E53 HydrophobicContact CG1-CG 4.48Å; V33-E53 PolarHBondContact N-O 3.45Å; V33-E55 HydrophobicContact CG2-CB 4.02Å
34D90.5Very high90.3Very high39 Ų3974 Ų7421%0.20937%0.372CS..EExtended strand (participates in β ladder)trans-147.8151.5-177.3-162.917.5000112.1I32 E53 P89I32-D34 WeakPolarHBondContact CG2-O 3.38Å; D34-E53 HydrophobicContact CB-CB 4.41Å; D34-E53 PolarHBondContact N-O 3.46Å; D34-E53 PolarHBondContact O-N 3.07Å; D34-P89 WeakPolarHBondContact OD2-CD 3.25Å
35V92.5Very high89.8Confident7 Ų773.7 Ų73.74%0.04237%0.37CS..EExtended strand (participates in β ladder)trans-130.7122.4172.3-1790000107.9H19 L22 R23 I32 I37 F51 I52H19-V35 PolarHBondContact CD2-O 2.75Å; L22-V35 HydrophobicContact CB-CG1 4.14Å; L22-V35 HydrophobicContact CD1-CG1 3.84Å; R23-V35 HydrophobicContact CG-CG2 3.68Å; I32-V35 HydrophobicContact CG2-CG2 3.54Å; V35-I37 HydrophobicContact CG1-CG1 4.44Å; V35-F51 WeakPolarHBondContact CA-O 3.46Å; V35-I52 HydrophobicContact CG1-CG1 4.38Å; V35-I52 HydrophobicContact CG2-CG1 4.36Å
36T90.6Very high89.6Confident49 Ų4973.7 Ų73.730%0.30137%0.368SS..EExtended strand (participates in β ladder)trans-120.8121.6178.7-63.50000110P38 A50 F51T36-P38 HydrophobicContact CG2-CG 4.3Å; T36-P38 WeakPolarHBondContact O-CD 3.3Å; T36-A50 CarbonylContact O-C 3.52Å; T36-A50 WeakPolarHBondContact O-CA 3.12Å; T36-F51 PolarHBondContact N-O 3.03Å; T36-F51 PolarHBondContact O-N 3.37Å
37I91.7Very high89.3Confident13 Ų1379.1 Ų79.17%0.06739%0.391CS..  trans-111.8101.2172.1-53.7176.7000108.5H19 L22 V35 L39 M46 A50H19-I37 HydrophobicContact CB-CD1 4.46Å; H19-I37 PolarHBondContact NE2-N 3.39Å; L22-I37 HydrophobicContact CD1-CD1 3.82Å; L22-I37 HydrophobicContact CD1-CG1 3.93Å; V35-I37 HydrophobicContact CG1-CG1 4.44Å; I37-L39 PolarHBondContact O-N 3.45Å; I37-M46 HydrophobicContact CG2-CB 3.92Å; I37-A50 HydrophobicContact CG1-CB 3.91Å
38P89.2Confident89.1Confident28 Ų2878.2 Ų78.218%0.18238%0.382CS..PPolyproline II helixtrans-64.4123.2176.6-26.439.4000111.5T36 K47 Y49 F51T36-P38 HydrophobicContact CG2-CG 4.3Å; T36-P38 WeakPolarHBondContact O-CD 3.3Å; P38-K47 HydrophobicContact CB-CD 4.36Å; P38-K47 PolarHBondContact O-N 3.47Å; P38-Y49 HydrophobicContact CB-CE2 4.02Å; P38-Y49 WeakPolarHBondContact CD-O 3.05Å; P38-Y49 HydrophobicContact CG-CD2 4.25Å; P38-Y49 HydrophobicContact CG-CE2 3.63Å; P38-F51 HydrophobicContact CG-CD2 4.25Å; P38-F51 HydrophobicContact CG-CE2 3.94Å
39L89.5Confident89.1Confident106 Ų10672.3 Ų72.356%0.55536%0.36SS*.BIsolated β-bridgetrans-91.6146.9172.7-57.4172.8000109.4I37 M46I37-L39 PolarHBondContact O-N 3.45Å; L39-M46 HydrophobicContact CD2-CB 3.91Å
40D87Confident89.1Confident50 Ų5070 Ų7027%0.26735%0.351SS..PPolyproline II helixtrans-70.5133168.5176.938.6000109.9F42 T43 G44 R45 K47D40-F42 VanDerWaalsContact C-N 3.32Å; D40-F42 PolarHBondContact O-N 3.44Å; D40-T43 WeakPolarHBondContact CB-OG1 3.4Å; D40-T43 WeakPolarHBondContact OD2-CB 3.32Å; D40-T43 WeakPolarHBondContact OD2-CG2 3.47Å; D40-T43 PolarHBondContact OD2-N 3.04Å; D40-T43 VanDerWaalsContact OD2-N 3.12Å; D40-T43 PolarHBondContact OD2-OG1 3.34Å; D40-G44 VanDerWaalsContact O-CA 3.28Å; D40-G44 WeakPolarHBondContact O-CA 3.49Å; D40-G44 PolarHBondContact O-N 3.43Å; D40-R45 WeakPolarHBondContact CB-O 3.43Å; D40-R45 PolarHBondContact N-O 3.15Å; D40-K47 HydrophobicContact CB-CG 4.17Å
41F83.3Confident89.1Confident185 Ų18570 Ų7081%0.81135%0.346SS*.THydrogen-bonded Turntrans-67.5-34-173.5-179.2-96.5000112.2
42F83.6Confident89Confident180 Ų18061.6 Ų61.679%0.78932%0.315SS*.THydrogen-bonded Turntrans-86.9-43.7-174.8-60.6-76.7000112.4D40D40-F42 VanDerWaalsContact C-N 3.32Å; D40-F42 PolarHBondContact O-N 3.44Å
43T85.2Confident88.9Confident85 Ų8562.5 Ų62.552%0.52132%0.318SS..THydrogen-bonded Turntrans-93.9-15.4-175.562.30000113.8D40 R45D40-T43 WeakPolarHBondContact CB-OG1 3.4Å; D40-T43 WeakPolarHBondContact OD2-CB 3.32Å; D40-T43 WeakPolarHBondContact OD2-CG2 3.47Å; D40-T43 PolarHBondContact OD2-N 3.04Å; D40-T43 VanDerWaalsContact OD2-N 3.12Å; D40-T43 PolarHBondContact OD2-OG1 3.34Å; T43-R45 PolarHBondContact O-N 2.94Å; T43-R45 VanDerWaalsContact O-N 3.1Å; T43-R45 PolarHBondContact OG1-N 3.21Å
44G82.6Confident89Confident51 Ų5159 Ų5953%0.52630%0.297SS..  trans65.93-171.300000113.9D40D40-G44 VanDerWaalsContact O-CA 3.28Å; D40-G44 WeakPolarHBondContact O-CA 3.49Å; D40-G44 PolarHBondContact O-N 3.43Å
45R83.5Confident89Confident164 Ų16462.2 Ų62.262%0.61931%0.311SS*.  trans-82.1148.3179.3-62.1-175.4-178.6-156.42.1109.8D40 T43D40-R45 WeakPolarHBondContact CB-O 3.43Å; D40-R45 PolarHBondContact N-O 3.15Å; T43-R45 PolarHBondContact O-N 2.94Å; T43-R45 VanDerWaalsContact O-N 3.1Å; T43-R45 PolarHBondContact OG1-N 3.21Å
46M86.4Confident89Confident30 Ų3065.5 Ų65.515%0.14833%0.328CS..BIsolated β-bridgetrans-66.9141.8172.960.5-170.870.800110.9D15 C17 I37 L39 G48D15-M46 WeakPolarHBondContact CA-SD 3.45Å; D15-M46 HydrophobicContact CB-CG 4.46Å; D15-M46 WeakPolarHBondContact O-CE 3.47Å; C17-M46 HydrophobicContact CB-SD 3.92Å; C17-M46 WeakPolarHBondContact O-CE 3.44Å; I37-M46 HydrophobicContact CG2-CB 3.92Å; L39-M46 HydrophobicContact CD2-CB 3.91Å; M46-G48 PolarHBondContact O-N 3.25Å
47K86.2Confident89Confident113 Ų11365.2 Ų65.249%0.49133%0.327SS..  trans-74.66.2-176.5-61.8179.971.6-172.50113.9P38 D40 Y49P38-K47 HydrophobicContact CB-CD 4.36Å; P38-K47 PolarHBondContact O-N 3.47Å; D40-K47 HydrophobicContact CB-CG 4.17Å; K47-Y49 HydrophobicContact CB-CD1 3.64Å; K47-Y49 HydrophobicContact CB-CE1 3.28Å; K47-Y49 HydrophobicContact CD-CE1 3.83Å; K47-Y49 WeakPolarHBondContact CD-OH 3.13Å; K47-Y49 WeakPolarHBondContact CE-OH 3.31Å; K47-Y49 HydrophobicContact CG-CE1 4.17Å; K47-Y49 PolarHBondContact NZ-OH 3.01Å
48G90.1Very high89Confident17 Ų1773.3 Ų73.318%0.17536%0.357CS..SBendtrans77.418.9-176.800000114.5H12 L13 M46H12-G48 PolarHBondContact N-O 3.02Å; L13-G48 PolarHBondContact N-O 2.81Å; M46-G48 PolarHBondContact O-N 3.25Å
49Y92.8Very high89.2Confident47 Ų4773.4 Ų73.418%0.18436%0.356CS..EExtended strand (participates in β ladder)trans-145.3155.1174.966.7-94.2000112.5Y9 I10 P38 K47 F51Y9-Y49 AromaticContact CE2-CD2 3.66Å; Y9-Y49 HydrophobicContact CE2-CD2 3.66Å; Y9-Y49 AromaticContact CE2-CG 3.91Å; Y9-Y49 HydrophobicContact CE2-CG 3.91Å; I10-Y49 CarbonylContact O-C 3.59Å; I10-Y49 WeakPolarHBondContact O-CA 3.47Å; I10-Y49 VanDerWaalsContact O-CB 3.24Å; I10-Y49 WeakPolarHBondContact O-CB 3.1Å; P38-Y49 HydrophobicContact CB-CE2 4.02Å; P38-Y49 WeakPolarHBondContact CD-O 3.05Å; P38-Y49 HydrophobicContact CG-CD2 4.25Å; P38-Y49 HydrophobicContact CG-CE2 3.63Å; K47-Y49 HydrophobicContact CB-CD1 3.64Å; K47-Y49 HydrophobicContact CB-CE1 3.28Å; K47-Y49 HydrophobicContact CD-CE1 3.83Å; K47-Y49 WeakPolarHBondContact CD-OH 3.13Å; K47-Y49 WeakPolarHBondContact CE-OH 3.31Å; K47-Y49 HydrophobicContact CG-CE1 4.17Å; K47-Y49 PolarHBondContact NZ-OH 3.01Å; Y49-F51 HydrophobicContact CD2-CD2 4.48Å; Y49-F51 AromaticContact CD2-CE2 3.37Å; Y49-F51 HydrophobicContact CD2-CE2 3.37Å; Y49-F51 AromaticContact CD2-CZ 3.64Å; Y49-F51 HydrophobicContact CD2-CZ 3.64Å; Y49-F51 AromaticContact CE2-CE2 3.44Å; Y49-F51 HydrophobicContact CE2-CE2 3.44Å; Y49-F51 VanDerWaalsContact CE2-CE2 3.44Å; Y49-F51 AromaticContact CE2-CZ 3.76Å; Y49-F51 HydrophobicContact CE2-CZ 3.76Å
50A93.3Very high89.4Confident0 Ų068.4 Ų68.40%033%0.329CS..EExtended strand (participates in β ladder)trans-143.3167.3178.900000112.2I10 L13 L22 T36 I37I10-A50 PolarHBondContact N-O 2.98Å; I10-A50 PolarHBondContact O-N 3.38Å; L13-A50 HydrophobicContact CD1-CB 3.32Å; L22-A50 HydrophobicContact CD1-CB 3.47Å; L22-A50 VanDerWaalsContact CD1-CB 3.47Å; T36-A50 CarbonylContact O-C 3.52Å; T36-A50 WeakPolarHBondContact O-CA 3.12Å; I37-A50 HydrophobicContact CG1-CB 3.91Å
51F92.6Very high89.7Confident17 Ų1768.4 Ų68.48%0.07533%0.328CS..EExtended strand (participates in β ladder)trans-125.7135.9175.7-57.3-89.3000109.2L8 Y9 V35 T36 P38 Y49 T82 R86L8-F51 WeakPolarHBondContact O-CA 3.48Å; Y9-F51 AromaticContact CD2-CD1 4Å; Y9-F51 HydrophobicContact CD2-CD1 4Å; Y9-F51 AromaticContact CD2-CE1 3.17Å; Y9-F51 HydrophobicContact CD2-CE1 3.17Å; Y9-F51 HydrophobicContact CD2-CE2 4.27Å; Y9-F51 AromaticContact CD2-CZ 3.31Å; Y9-F51 HydrophobicContact CD2-CZ 3.31Å; Y9-F51 AromaticContact CE2-CE1 3.83Å; Y9-F51 HydrophobicContact CE2-CE1 3.83Å; Y9-F51 HydrophobicContact CE2-CE2 4.36Å; Y9-F51 AromaticContact CE2-CZ 3.47Å; Y9-F51 HydrophobicContact CE2-CZ 3.47Å; Y9-F51 VanDerWaalsContact CE2-CZ 3.47Å; Y9-F51 AromaticContact CG-CE1 3.96Å; Y9-F51 HydrophobicContact CG-CE1 3.96Å; Y9-F51 HydrophobicContact CG-CZ 4.44Å; V35-F51 WeakPolarHBondContact CA-O 3.46Å; T36-F51 PolarHBondContact N-O 3.03Å; T36-F51 PolarHBondContact O-N 3.37Å; P38-F51 HydrophobicContact CG-CD2 4.25Å; P38-F51 HydrophobicContact CG-CE2 3.94Å; Y49-F51 HydrophobicContact CD2-CD2 4.48Å; Y49-F51 AromaticContact CD2-CE2 3.37Å; Y49-F51 HydrophobicContact CD2-CE2 3.37Å; Y49-F51 AromaticContact CD2-CZ 3.64Å; Y49-F51 HydrophobicContact CD2-CZ 3.64Å; Y49-F51 AromaticContact CE2-CE2 3.44Å; Y49-F51 HydrophobicContact CE2-CE2 3.44Å; Y49-F51 VanDerWaalsContact CE2-CE2 3.44Å; Y49-F51 AromaticContact CE2-CZ 3.76Å; Y49-F51 HydrophobicContact CE2-CZ 3.76Å; F51-T82 HydrophobicContact CD1-CG2 3.88Å; F51-T82 HydrophobicContact CE1-CG2 4.34Å; F51-R86 VanDerWaalsContact CD1-NE 3.35Å; F51-R86 VanDerWaalsContact CE1-NE 3.34Å
52I92.8Very high90.2Very high1 Ų163.4 Ų63.41%0.00531%0.31CS..EExtended strand (participates in β ladder)trans-124.7128.3175.6-59.2-173.3000107.4S7 L8 I10 L22 F26 I32 V35 F54S7-I52 CarbonylContact C-O 3.53Å; S7-I52 VanDerWaalsContact CA-O 3.29Å; S7-I52 WeakPolarHBondContact CA-O 3.45Å; L8-I52 PolarHBondContact N-O 3.29Å; L8-I52 PolarHBondContact O-N 3.27Å; I10-I52 HydrophobicContact CD1-CD1 3.33Å; I10-I52 HydrophobicContact CD1-CG1 3.68Å; L22-I52 HydrophobicContact CB-CD1 4.02Å; F26-I52 HydrophobicContact CB-CD1 3.71Å; F26-I52 HydrophobicContact CD1-CD1 3.9Å; F26-I52 HydrophobicContact CD2-CD1 3.27Å; F26-I52 HydrophobicContact CE1-CD1 4.36Å; F26-I52 HydrophobicContact CE2-CD1 3.81Å; F26-I52 HydrophobicContact CG-CD1 3.33Å; F26-I52 HydrophobicContact CZ-CD1 4.33Å; I32-I52 HydrophobicContact CD1-CG2 4.25Å; I32-I52 HydrophobicContact CG1-CG2 4.08Å; I32-I52 HydrophobicContact CG2-CG2 3.85Å; V35-I52 HydrophobicContact CG1-CG1 4.38Å; V35-I52 HydrophobicContact CG2-CG1 4.36Å; I52-F54 HydrophobicContact CB-CE2 4.43Å; I52-F54 HydrophobicContact CG2-CD2 4.06Å; I52-F54 HydrophobicContact CG2-CE2 3.64Å; I52-F54 HydrophobicContact CG2-CZ 4.1Å
53E91.7Very high90.7Very high55 Ų5554.9 Ų54.926%0.25727%0.272SS..EExtended strand (participates in β ladder)trans-106.9122.8174.3-173.1175.9174.700109.2I32 V33 D34 T88I32-E53 CarbonylContact C-O 3.52Å; I32-E53 WeakPolarHBondContact CA-O 3.44Å; I32-E53 WeakPolarHBondContact CG2-O 3.39Å; V33-E53 HydrophobicContact CB-CB 4.27Å; V33-E53 HydrophobicContact CB-CG 4.05Å; V33-E53 HydrophobicContact CG1-CG 4.48Å; V33-E53 PolarHBondContact N-O 3.45Å; D34-E53 HydrophobicContact CB-CB 4.41Å; D34-E53 PolarHBondContact N-O 3.46Å; D34-E53 PolarHBondContact O-N 3.07Å; E53-T88 VanDerWaalsContact OE2-CG2 3.26Å; E53-T88 WeakPolarHBondContact OE2-CG2 3.29Å
54F93.3Very high91.1Very high3 Ų353.1 Ų53.11%0.01326%0.258CS..EExtended strand (participates in β ladder)trans-94.6152.6173.5-73.1-90.7000110.9S6 L8 F26 R31 I32 I52 N56 D59 A60 A63S6-F54 VanDerWaalsContact CB-O 3.25Å; S6-F54 WeakPolarHBondContact CB-O 3.06Å; S6-F54 WeakPolarHBondContact O-CB 3.39Å; S6-F54 PolarHBondContact O-N 2.67Å; L8-F54 HydrophobicContact CD1-CD2 4.34Å; L8-F54 HydrophobicContact CD1-CE2 3.64Å; L8-F54 HydrophobicContact CG-CD2 4.38Å; L8-F54 HydrophobicContact CG-CE2 4.11Å; F26-F54 HydrophobicContact CB-CZ 3.97Å; F26-F54 HydrophobicContact CD1-CZ 4.23Å; R31-F54 WeakPolarHBondContact O-CA 3.32Å; I32-F54 HydrophobicContact CG1-CD1 4.31Å; I32-F54 HydrophobicContact CG1-CE1 4Å; I32-F54 HydrophobicContact CG1-CZ 4.44Å; I52-F54 HydrophobicContact CB-CE2 4.43Å; I52-F54 HydrophobicContact CG2-CD2 4.06Å; I52-F54 HydrophobicContact CG2-CE2 3.64Å; I52-F54 HydrophobicContact CG2-CZ 4.1Å; F54-N56 WeakPolarHBondContact CB-O 3.32Å; F54-D59 HydrophobicContact CD1-CB 3.96Å; F54-D59 HydrophobicContact CG-CB 4.47Å; F54-A60 HydrophobicContact CB-CB 4.15Å; F54-A60 HydrophobicContact CD2-CB 3.74Å; F54-A60 HydrophobicContact CE2-CB 4.46Å; F54-A60 HydrophobicContact CG-CB 4.13Å; F54-A63 HydrophobicContact CE1-CB 4.41Å; F54-A63 HydrophobicContact CE2-CB 3.97Å; F54-A63 HydrophobicContact CZ-CB 3.6Å
55E91.5Very high91.6Very high106 Ų10659.1 Ų59.150%0.49527%0.266SS..SBendtrans-66.2-43.1173.8-172.1175.3176.500110.3R31 V33R31-E55 HydrophobicContact CB-CB 4.1Å; R31-E55 WeakPolarHBondContact CB-OE2 3.26Å; R31-E55 WeakPolarHBondContact CD-OE2 3.48Å; R31-E55 PolarHBondContact O-N 3.41Å; V33-E55 HydrophobicContact CG2-CB 4.02Å
56N91.6Very high92Very high75 Ų7557.8 Ų57.840%0.40126%0.262SS..SBendtrans-110.4139.8179.5-58.5-53.6000111.8F54 R58 D59 A60F54-N56 WeakPolarHBondContact CB-O 3.32Å; N56-R58 VanDerWaalsContact C-N 3.27Å; N56-R58 PolarHBondContact O-N 2.91Å; N56-D59 HydrophobicContact CB-CB 4.37Å; N56-D59 PolarHBondContact ND2-OD2 2.97Å; N56-D59 PolarHBondContact O-N 3.1Å; N56-A60 PolarHBondContact O-N 2.99Å
57P91.3Very high92.3Very high43 Ų4357 Ų5728%0.27926%0.258SS..Hα-helixtrans-69.3-23.6175.426.9-33.7000113.3R4 A60 E61R4-P57 HydrophobicContact CB-CB 3.84Å; P57-A60 PolarHBondContact O-N 3.46Å; P57-E61 WeakPolarHBondContact O-CG 3.03Å; P57-E61 PolarHBondContact O-N 3.3Å
58R92.4Very high92.7Very high184 Ų18453.9 Ų53.969%0.69425%0.247SC*.Hα-helixtrans-67.9-46175.8-69.5-174.7178.8-175.9-0.4111.3N56 A60 E61 D62N56-R58 VanDerWaalsContact C-N 3.27Å; N56-R58 PolarHBondContact O-N 2.91Å; R58-A60 PolarHBondContact O-N 2.89Å; R58-E61 WeakPolarHBondContact O-CA 3.37Å; R58-E61 WeakPolarHBondContact O-CB 3.48Å; R58-E61 PolarHBondContact O-N 3.36Å; R58-D62 PolarHBondContact O-N 3.39Å
59D93.6Very high92.7Very high30 Ų3059.1 Ų59.116%0.1627%0.266CS..Hα-helixtrans-59.1-36.2176.3-542.5000111.5F54 N56 A63F54-D59 HydrophobicContact CD1-CB 3.96Å; F54-D59 HydrophobicContact CG-CB 4.47Å; N56-D59 HydrophobicContact CB-CB 4.37Å; N56-D59 PolarHBondContact ND2-OD2 2.97Å; N56-D59 PolarHBondContact O-N 3.1Å; D59-A63 VanDerWaalsContact O-CB 3.27Å; D59-A63 WeakPolarHBondContact O-CB 3.47Å; D59-A63 PolarHBondContact O-N 3.34Å
60A92.9Very high92.7Very high0 Ų058.8 Ų58.80%027%0.269CS..Hα-helixtrans-66.7-36174.500000112.6L8 F54 N56 P57 R58 H64 F81L8-A60 HydrophobicContact CD2-CB 4.22Å; L8-A60 HydrophobicContact CG-CB 4.31Å; F54-A60 HydrophobicContact CB-CB 4.15Å; F54-A60 HydrophobicContact CD2-CB 3.74Å; F54-A60 HydrophobicContact CE2-CB 4.46Å; F54-A60 HydrophobicContact CG-CB 4.13Å; N56-A60 PolarHBondContact O-N 2.99Å; P57-A60 PolarHBondContact O-N 3.46Å; R58-A60 PolarHBondContact O-N 2.89Å; A60-H64 WeakPolarHBondContact O-CB 3.39Å; A60-H64 PolarHBondContact O-N 2.97Å; A60-F81 HydrophobicContact CB-CE1 4.39Å
61E93Very high92.6Very high50 Ų5068.7 Ų68.723%0.23431%0.307CS..Hα-helixtrans-68.1-43.8175-73.1167-147.900112.6R4 P57 R58 A63 H64 Y65 F81R4-E61 WeakPolarHBondContact CD-OE1 3.12Å; R4-E61 WeakPolarHBondContact CG-OE1 3.45Å; R4-E61 IonicContact CZ-OE1 3.72Å; R4-E61 IonicContact CZ-OE2 3.77Å; R4-E61 VanDerWaalsContact CZ-OE2 3.3Å; R4-E61 IonicContact NE-OE1 2.93Å; R4-E61 PolarHBondContact NE-OE1 2.95Å; R4-E61 IonicContact NH1-OE1 2.67Å; R4-E61 PolarHBondContact NH1-OE1 3.48Å; R4-E61 IonicContact NH1-OE2 2.6Å; R4-E61 PolarHBondContact NH1-OE2 3.46Å; R4-E61 IonicContact NH2-OE2 3.51Å; P57-E61 WeakPolarHBondContact O-CG 3.03Å; P57-E61 PolarHBondContact O-N 3.3Å; R58-E61 WeakPolarHBondContact O-CA 3.37Å; R58-E61 WeakPolarHBondContact O-CB 3.48Å; R58-E61 PolarHBondContact O-N 3.36Å; E61-A63 VanDerWaalsContact C-N 3.34Å; E61-H64 PolarHBondContact O-N 3.06Å; E61-Y65 WeakPolarHBondContact O-CB 3.36Å; E61-Y65 PolarHBondContact O-N 3.15Å; E61-F81 HydrophobicContact CB-CZ 4.32Å; E61-F81 HydrophobicContact CG-CE1 4.14Å; E61-F81 HydrophobicContact CG-CZ 3.66Å
62D93.7Very high92.3Very high81 Ų8168.4 Ų68.443%0.43331%0.305SS..Hα-helixtrans-61.9-47.1175.4-68.2-26.8000109.8R58 H64 Y65 Y66R58-D62 PolarHBondContact O-N 3.39Å; D62-H64 VanDerWaalsContact C-N 3.34Å; D62-H64 PolarHBondContact O-N 2.99Å; D62-Y65 PolarHBondContact O-N 3.39Å; D62-Y66 HydrophobicContact CB-CE2 4.49Å; D62-Y66 WeakPolarHBondContact O-CD2 3.41Å; D62-Y66 PolarHBondContact O-N 3.41Å
63A93.9Very high92Very high0 Ų073.1 Ų73.10%033%0.329CS..Hα-helixtrans-58.6-43.617600000112.6L8 F26 Y29 F54 D59 E61 M67L8-A63 HydrophobicContact CD1-CB 3.82Å; F26-A63 HydrophobicContact CD1-CB 4.15Å; Y29-A63 HydrophobicContact CD2-CB 3.73Å; Y29-A63 HydrophobicContact CG-CB 3.88Å; F54-A63 HydrophobicContact CE1-CB 4.41Å; F54-A63 HydrophobicContact CE2-CB 3.97Å; F54-A63 HydrophobicContact CZ-CB 3.6Å; D59-A63 VanDerWaalsContact O-CB 3.27Å; D59-A63 WeakPolarHBondContact O-CB 3.47Å; D59-A63 PolarHBondContact O-N 3.34Å; E61-A63 VanDerWaalsContact C-N 3.34Å; A63-M67 WeakPolarHBondContact O-CB 3.12Å; A63-M67 VanDerWaalsContact O-CG 3.31Å; A63-M67 WeakPolarHBondContact O-CG 3.4Å; A63-M67 PolarHBondContact O-N 3.24Å
64H93.9Very high91.9Very high48 Ų4874 Ų7422%0.22235%0.353CS..Hα-helixtrans-59.9-50.2174.4173.7-70.7000111L8 A60 E61 D62 Y66 D68 V79 F81L8-H64 HydrophobicContact CD2-CB 4.16Å; A60-H64 WeakPolarHBondContact O-CB 3.39Å; A60-H64 PolarHBondContact O-N 2.97Å; E61-H64 PolarHBondContact O-N 3.06Å; D62-H64 VanDerWaalsContact C-N 3.34Å; D62-H64 PolarHBondContact O-N 2.99Å; H64-Y66 VanDerWaalsContact C-N 3.33Å; H64-Y66 PolarHBondContact O-N 2.94Å; H64-D68 WeakPolarHBondContact O-CB 3.32Å; H64-D68 PolarHBondContact O-N 2.89Å; H64-V79 HydrophobicContact CB-CG1 4.48Å; H64-V79 PolarHBondContact CD2-O 3.06Å; H64-V79 PolarHBondContact NE2-O 3.19Å; H64-F81 HydrophobicContact CB-CE2 4.09Å; H64-F81 HydrophobicContact CB-CZ 3.94Å; H64-F81 AromaticContact CD2-CD2 3.66Å; H64-F81 AromaticContact CD2-CE2 3.46Å; H64-F81 VanDerWaalsContact CD2-CE2 3.46Å; H64-F81 WeakPolarHBondContact CD2-CE2 3.47Å; H64-F81 AromaticContact CG-CE2 3.68Å; H64-F81 AromaticContact NE2-CD2 3.92Å; H64-F81 AromaticContact NE2-CE2 3.84Å
65Y93.1Very high91.7Very high177 Ų17779.5 Ų79.569%0.69437%0.373SS*.Hα-helixtrans-59.7-40.5-177.1-177.9-98.5000113.2E61 D62E61-Y65 WeakPolarHBondContact O-CB 3.36Å; E61-Y65 PolarHBondContact O-N 3.15Å; D62-Y65 PolarHBondContact O-N 3.39Å
66Y93.1Very high91.8Very high136 Ų13678.8 Ų78.853%0.53337%0.373SS..Hα-helixtrans-89.8-26.2-176.8-68.7-67.2000114.7Y29 D62 H64 T70Y29-Y66 AromaticContact CD1-CD2 4Å; Y29-Y66 HydrophobicContact CD1-CD2 4Å; Y29-Y66 AromaticContact CE1-CD2 3.61Å; Y29-Y66 HydrophobicContact CE1-CD2 3.61Å; Y29-Y66 AromaticContact CE1-CG 3.84Å; Y29-Y66 HydrophobicContact CE1-CG 3.84Å; Y29-Y66 WeakPolarHBondContact OH-CB 3.33Å; D62-Y66 HydrophobicContact CB-CE2 4.49Å; D62-Y66 WeakPolarHBondContact O-CD2 3.41Å; D62-Y66 PolarHBondContact O-N 3.41Å; H64-Y66 VanDerWaalsContact C-N 3.33Å; H64-Y66 PolarHBondContact O-N 2.94Å; Y66-T70 WeakPolarHBondContact O-CG2 3.06Å
67M92.6Very high91.9Very high13 Ų1375.2 Ų75.26%0.06435%0.354CS..Hα-helixtrans-99.4-17.9-175.4-64.2-67.8-5800113.7C25 F26 Y29 A63 H69 T70 I77 V79C25-M67 HydrophobicContact CB-CE 4.18Å; F26-M67 HydrophobicContact CD1-CG 4.17Å; F26-M67 HydrophobicContact CE1-CB 3.78Å; F26-M67 HydrophobicContact CE1-CE 4.5Å; F26-M67 HydrophobicContact CE1-CG 3.77Å; F26-M67 HydrophobicContact CE2-CE 3.98Å; F26-M67 HydrophobicContact CZ-CB 3.99Å; F26-M67 HydrophobicContact CZ-CE 3.95Å; F26-M67 HydrophobicContact CZ-CG 4.12Å; Y29-M67 HydrophobicContact CD2-CG 4.26Å; Y29-M67 HydrophobicContact CE2-CG 3.33Å; Y29-M67 HydrophobicContact CE2-SD 3.59Å; Y29-M67 VanDerWaalsContact CE2-SD 3.59Å; Y29-M67 PolarHBondContact OH-SD 2.93Å; A63-M67 WeakPolarHBondContact O-CB 3.12Å; A63-M67 VanDerWaalsContact O-CG 3.31Å; A63-M67 WeakPolarHBondContact O-CG 3.4Å; A63-M67 PolarHBondContact O-N 3.24Å; M67-H69 PolarHBondContact O-N 3.41Å; M67-T70 WeakPolarHBondContact O-CB 2.9Å; M67-T70 WeakPolarHBondContact O-CG2 3.48Å; M67-T70 PolarHBondContact O-N 3.02Å; M67-T70 PolarHBondContact O-OG1 2.92Å; M67-I77 HydrophobicContact CE-CD1 4.01Å; M67-V79 HydrophobicContact CB-CG2 4.05Å
68D92.9Very high92.1Very high48 Ų4874.8 Ų74.826%0.25735%0.348SS..THydrogen-bonded Turntrans-62.3132.4177.3-170.437.6000110.9H64 T70 V79H64-D68 WeakPolarHBondContact O-CB 3.32Å; H64-D68 PolarHBondContact O-N 2.89Å; D68-T70 PolarHBondContact O-N 2.71Å; D68-V79 HydrophobicContact CB-CB 4.19Å; D68-V79 PolarHBondContact OD1-N 3.33Å
69H92Very high92.2Very high128 Ų12866 Ų6659%0.59332%0.315SS*.THydrogen-bonded Turntrans56.828-174.6-61.2-63.7000115.6M67 I77M67-H69 PolarHBondContact O-N 3.41Å; H69-I77 WeakPolarHBondContact CA-O 3.47Å; H69-I77 PolarHBondContact N-O 3.36Å
70T91.7Very high92.2Very high40 Ų4068 Ų6825%0.24532%0.323CS..  trans-88.5154173.760.50000113.1Y66 M67 D68 F72 D76 I77Y66-T70 WeakPolarHBondContact O-CG2 3.06Å; M67-T70 WeakPolarHBondContact O-CB 2.9Å; M67-T70 WeakPolarHBondContact O-CG2 3.48Å; M67-T70 PolarHBondContact O-N 3.02Å; M67-T70 PolarHBondContact O-OG1 2.92Å; D68-T70 PolarHBondContact O-N 2.71Å; T70-F72 PolarHBondContact O-N 2.78Å; T70-D76 WeakPolarHBondContact O-CA 2.85Å; T70-I77 VanDerWaalsContact O-CG1 3.32Å; T70-I77 WeakPolarHBondContact O-CG1 3.08Å; T70-I77 PolarHBondContact O-N 3.22Å
71R90.4Very high92.2Very high207 Ų20771.2 Ų71.278%0.78134%0.337SS*.EExtended strand (participates in β ladder)trans-77.2112.4172-79-176.9175.8-1790.2110.9D76R71-D76 WeakPolarHBondContact CG-OD1 3.45Å; R71-D76 IonicContact NE-OD1 3.3Å
72F88Confident92Very high11 Ų1169.4 Ų69.45%0.04833%0.33CS..EExtended strand (participates in β ladder)trans-116.8116.4174.9-177.8-91.7000110.4L13 P14 C17 D21 L22 C25 T70 G74 R75 I77L13-F72 HydrophobicContact CD2-CD1 3.98Å; L13-F72 HydrophobicContact CD2-CE1 4.07Å; P14-F72 HydrophobicContact CG-CD1 4.04Å; P14-F72 HydrophobicContact CG-CE1 4.22Å; C17-F72 HydrophobicContact CB-CE1 4.08Å; C17-F72 VanDerWaalsContact SG-CE1 3.5Å; D21-F72 HydrophobicContact CB-CZ 3.9Å; L22-F72 HydrophobicContact CD2-CZ 4.19Å; C25-F72 HydrophobicContact CB-CD2 4.49Å; C25-F72 HydrophobicContact CB-CE2 4.08Å; C25-F72 VanDerWaalsContact SG-CE2 3.55Å; T70-F72 PolarHBondContact O-N 2.78Å; F72-G74 PolarHBondContact O-N 3.03Å; F72-G74 VanDerWaalsContact O-N 3.11Å; F72-R75 PolarHBondContact N-O 2.68Å; F72-R75 PolarHBondContact O-N 3.23Å; F72-R75 VanDerWaalsContact O-O 3.07Å; F72-I77 HydrophobicContact CB-CB 4.48Å; F72-I77 HydrophobicContact CB-CD1 3.98Å; F72-I77 HydrophobicContact CB-CG1 4.01Å; F72-I77 HydrophobicContact CB-CG2 3.68Å; F72-I77 HydrophobicContact CD1-CG2 4.37Å; F72-I77 HydrophobicContact CG-CD1 4.47Å; F72-I77 HydrophobicContact CG-CG2 4.33Å
73M86.6Confident91.2Very high101 Ų10177.3 Ų77.350%0.49835%0.353SS..THydrogen-bonded Turntrans47.938.9-178.4-52.6177.483.400113.9P14 C17P14-M73 HydrophobicContact CG-CB 3.75Å; P14-M73 HydrophobicContact CG-CG 4.4Å; P14-M73 HydrophobicContact CG-SD 4.15Å; C17-M73 HydrophobicContact CB-SD 4.47Å
74G88Confident90Very high74 Ų7479.1 Ų79.176%0.76337%0.372SS*.THydrogen-bonded Turntrans84.15177.900000115.7F72F72-G74 PolarHBondContact O-N 3.03Å; F72-G74 VanDerWaalsContact O-N 3.11Å
75R90.5Very high88.7Confident118 Ų11886.8 Ų86.845%0.44540%0.401SS..EExtended strand (participates in β ladder)trans-119.5145169.8-66.4-172.1179.7166.12.4110.3P14 D15 F72P14-R75 HydrophobicContact CB-CG 4.42Å; D15-R75 IonicContact OD1-CZ 3.11Å; D15-R75 IonicContact OD1-NH1 3.2Å; D15-R75 PolarHBondContact OD1-NH1 2.8Å; D15-R75 IonicContact OD1-NH2 3.75Å; F72-R75 PolarHBondContact N-O 2.68Å; F72-R75 PolarHBondContact O-N 3.23Å; F72-R75 VanDerWaalsContact O-O 3.07Å
76D92.8Very high87.4Confident90 Ų9084 Ų8448%0.48139%0.389SS..EExtended strand (participates in β ladder)trans-78122.8171.1-59.8-60.3000108.9H12 T70 R71H12-D76 WeakPolarHBondContact CB-O 3.42Å; T70-D76 WeakPolarHBondContact O-CA 2.85Å; R71-D76 WeakPolarHBondContact CG-OD1 3.45Å; R71-D76 IonicContact NE-OD1 3.3Å
77I94.6Very high86.2Confident1 Ų183 Ų831%0.00539%0.388CS..  trans-97149.7178.858.3162.5000110.5I10 L13 F26 M67 H69 T70 F72 V79I10-I77 HydrophobicContact CG2-CB 4.16Å; I10-I77 HydrophobicContact CG2-CD1 4.13Å; I10-I77 HydrophobicContact CG2-CG2 4.49Å; L13-I77 HydrophobicContact CD2-CG2 3.84Å; F26-I77 HydrophobicContact CZ-CD1 4.2Å; M67-I77 HydrophobicContact CE-CD1 4.01Å; H69-I77 WeakPolarHBondContact CA-O 3.47Å; H69-I77 PolarHBondContact N-O 3.36Å; T70-I77 VanDerWaalsContact O-CG1 3.32Å; T70-I77 WeakPolarHBondContact O-CG1 3.08Å; T70-I77 PolarHBondContact O-N 3.22Å; F72-I77 HydrophobicContact CB-CB 4.48Å; F72-I77 HydrophobicContact CB-CD1 3.98Å; F72-I77 HydrophobicContact CB-CG1 4.01Å; F72-I77 HydrophobicContact CB-CG2 3.68Å; F72-I77 HydrophobicContact CD1-CG2 4.37Å; F72-I77 HydrophobicContact CG-CD1 4.47Å; F72-I77 HydrophobicContact CG-CG2 4.33Å; I77-V79 HydrophobicContact CD1-CG2 4.16Å
78E94.7Very high85Confident34 Ų3483.5 Ų83.516%0.15939%0.391CS..EExtended strand (participates in β ladder)trans-114.7132.7174.4176.6-168.5141.600107.5I10 R11 H12 E80I10-E78 CarbonylContact C-O 3.56Å; I10-E78 WeakPolarHBondContact CA-O 3.38Å; R11-E78 HydrophobicContact CB-CB 4.23Å; R11-E78 WeakPolarHBondContact CD-OE1 3.24Å; R11-E78 IonicContact CZ-OE1 2.97Å; R11-E78 PolarHBondContact N-O 3.47Å; R11-E78 IonicContact NE-OE1 3.61Å; R11-E78 IonicContact NH1-OE1 3.54Å; R11-E78 PolarHBondContact NH1-OE1 2.97Å; R11-E78 IonicContact NH1-OE2 3.84Å; R11-E78 PolarHBondContact O-N 3Å; H12-E78 IonicContact CE1-OE2 3.86Å; E78-E80 HydrophobicContact CG-CG 4.4Å
79V94.5Very high83.6Confident0 Ų084.6 Ų84.60%040%0.401CS..EExtended strand (participates in β ladder)trans-121.1115.6-175.3-175.50000108.6L8 Y9 I10 F26 H64 M67 D68 I77L8-V79 HydrophobicContact CB-CG1 4.14Å; L8-V79 HydrophobicContact CD1-CG1 3.83Å; L8-V79 HydrophobicContact CD2-CG1 4.41Å; L8-V79 HydrophobicContact CG-CG1 4.36Å; Y9-V79 WeakPolarHBondContact O-CA 3.11Å; I10-V79 HydrophobicContact CG1-CG1 4.46Å; I10-V79 HydrophobicContact CG1-CG2 4.34Å; I10-V79 HydrophobicContact CG2-CG2 4.43Å; F26-V79 HydrophobicContact CE1-CG1 4.44Å; F26-V79 HydrophobicContact CE1-CG2 4.37Å; F26-V79 HydrophobicContact CZ-CG2 4.15Å; H64-V79 HydrophobicContact CB-CG1 4.48Å; H64-V79 PolarHBondContact CD2-O 3.06Å; H64-V79 PolarHBondContact NE2-O 3.19Å; M67-V79 HydrophobicContact CB-CG2 4.05Å; D68-V79 HydrophobicContact CB-CB 4.19Å; D68-V79 PolarHBondContact OD1-N 3.33Å; I77-V79 HydrophobicContact CD1-CG2 4.16Å
80E93.1Very high82.5Confident71 Ų7181.9 Ų81.933%0.33240%0.4SS..EExtended strand (participates in β ladder)trans-120154.4178.8-64.4-171.1134.100111.1L8 Y9 E78L8-E80 CarbonylContact C-O 3.58Å; Y9-E80 HydrophobicContact CD1-CB 4.43Å; Y9-E80 PolarHBondContact N-O 3.23Å; Y9-E80 PolarHBondContact O-N 3.2Å; E78-E80 HydrophobicContact CG-CG 4.4Å
81F92.1Very high81.4Confident67 Ų6785 Ų8529%0.29441%0.412SS..EExtended strand (participates in β ladder)trans-69.9137168.3-71.9-79.3000111.5S5 L8 A60 E61 H64 R83S5-F81 WeakPolarHBondContact O-CD1 3.5Å; L8-F81 HydrophobicContact CD2-CD1 3.71Å; L8-F81 HydrophobicContact CD2-CE1 3.73Å; L8-F81 HydrophobicContact CD2-CG 4.38Å; L8-F81 HydrophobicContact CD2-CZ 4.39Å; A60-F81 HydrophobicContact CB-CE1 4.39Å; E61-F81 HydrophobicContact CB-CZ 4.32Å; E61-F81 HydrophobicContact CG-CE1 4.14Å; E61-F81 HydrophobicContact CG-CZ 3.66Å; H64-F81 HydrophobicContact CB-CE2 4.09Å; H64-F81 HydrophobicContact CB-CZ 3.94Å; H64-F81 AromaticContact CD2-CD2 3.66Å; H64-F81 AromaticContact CD2-CE2 3.46Å; H64-F81 VanDerWaalsContact CD2-CE2 3.46Å; H64-F81 WeakPolarHBondContact CD2-CE2 3.47Å; H64-F81 AromaticContact CG-CE2 3.68Å; H64-F81 AromaticContact NE2-CD2 3.92Å; H64-F81 AromaticContact NE2-CE2 3.84Å; F81-R83 PolarHBondContact O-N 2.96Å
82T89.1Confident80Confident13 Ų1380.2 Ų80.28%0.0840%0.4CS..  trans-66.3133.8175.167.30000110.5S5 S7 F51 G84S5-T82 PolarHBondContact OG-O 2.6Å; S7-T82 WeakPolarHBondContact CB-OG1 3.42Å; S7-T82 PolarHBondContact O-N 3.44Å; S7-T82 PolarHBondContact O-OG1 3.01Å; F51-T82 HydrophobicContact CD1-CG2 3.88Å; F51-T82 HydrophobicContact CE1-CG2 4.34Å; T82-G84 PolarHBondContact O-N 3.4Å; T82-G84 PolarHBondContact OG1-O 2.9Å; T82-G84 VanDerWaalsContact OG1-O 3.05Å
83R76.6Confident79Confident246 Ų24687.6 Ų87.693%0.92843%0.427SS*.SBendtrans-83.967.1170.5-58.5-176.5-172-171.23.1109.2F81F81-R83 PolarHBondContact O-N 2.96Å
84G70.8Confident78Confident38 Ų3887.5 Ų87.539%0.39243%0.429SS..SBendtrans138.1158.5173.700000114.6T82 R86T82-G84 PolarHBondContact O-N 3.4Å; T82-G84 PolarHBondContact OG1-O 2.9Å; T82-G84 VanDerWaalsContact OG1-O 3.05Å; G84-R86 PolarHBondContact O-N 3.2Å
85Y66.2Low76.7Confident210 Ų21089.1 Ų89.182%0.82441%0.414SS*.PPolyproline II helixtrans-73.2120.9172.1-59.7-79000109.2
86R66Low75.1Confident118 Ų11890.5 Ų90.545%0.44543%0.426SS..PPolyproline II helixtrans-86.1138.2168.2-73.7-172.6161.9-140.7-4.7108.7F51 G84 T88F51-R86 VanDerWaalsContact CD1-NE 3.35Å; F51-R86 VanDerWaalsContact CE1-NE 3.34Å; G84-R86 PolarHBondContact O-N 3.2Å; R86-T88 PolarHBondContact O-N 3.36Å
87K66.3Low73.3Confident116 Ų11695.1 Ų95.150%0.50444%0.437SS..PPolyproline II helixtrans-74.7120.9169.2-67-179.9-176.9174.90107.8E91 M92K87-E91 WeakPolarHBondContact CA-OE2 3.49Å; K87-E91 HydrophobicContact CB-CB 4.19Å; K87-M92 HydrophobicContact CB-CG 3.81Å; K87-M92 HydrophobicContact CD-CG 4.47Å
88T67.6Low71.5Confident22 Ų22104.7 Ų104.714%0.13547%0.473CS..PPolyproline II helixtrans-59.4153.2169.7620000109E53 R86 A90 E91 M92E53-T88 VanDerWaalsContact OE2-CG2 3.26Å; E53-T88 WeakPolarHBondContact OE2-CG2 3.29Å; R86-T88 PolarHBondContact O-N 3.36Å; T88-A90 PolarHBondContact O-N 2.96Å; T88-A90 VanDerWaalsContact O-N 3.1Å; T88-E91 WeakPolarHBondContact O-CB 2.98Å; T88-E91 PolarHBondContact O-N 3.36Å; T88-E91 WeakPolarHBondContact OG1-CG 3.47Å; T88-E91 PolarHBondContact OG1-N 2.73Å; T88-E91 VanDerWaalsContact OG1-N 3.15Å; T88-M92 PolarHBondContact O-N 3.05Å
89P64.6Low69.6Low72 Ų72107.9 Ų107.947%0.46849%0.491SS..Hα-helixtrans-52.1-32.5172-26.734.9000112.5D34 M92 R93D34-P89 WeakPolarHBondContact OD2-CD 3.25Å; P89-M92 HydrophobicContact CB-CE 4.47Å; P89-M92 PolarHBondContact O-N 2.78Å; P89-R93 WeakPolarHBondContact O-CB 3.49Å; P89-R93 PolarHBondContact O-N 2.69Å
90A67.9Low67.5Low70 Ų70113.9 Ų113.958%0.57952%0.519SS*.Hα-helixtrans-62.9-45.2173.400000112.7T88 R93 L94T88-A90 PolarHBondContact O-N 2.96Å; T88-A90 VanDerWaalsContact O-N 3.1Å; A90-R93 PolarHBondContact O-N 2.83Å; A90-L94 PolarHBondContact O-N 2.83Å
91E68.8Low65.5Low106 Ų106115.1 Ų115.150%0.49553%0.533SS..Hα-helixtrans-66.4-38.9175.6-75.6-175.7168.900112.8K87 T88 R93 L94 K95K87-E91 WeakPolarHBondContact CA-OE2 3.49Å; K87-E91 HydrophobicContact CB-CB 4.19Å; T88-E91 WeakPolarHBondContact O-CB 2.98Å; T88-E91 PolarHBondContact O-N 3.36Å; T88-E91 WeakPolarHBondContact OG1-CG 3.47Å; T88-E91 PolarHBondContact OG1-N 2.73Å; T88-E91 VanDerWaalsContact OG1-N 3.15Å; E91-R93 VanDerWaalsContact C-N 3.34Å; E91-L94 PolarHBondContact O-N 3.11Å; E91-K95 PolarHBondContact O-N 2.92Å
92M61.7Low63.4Low107 Ų107120.8 Ų120.853%0.52756%0.56SS.*Hα-helixtrans-60.8-45.5174.3-69.5-164.9-7000111.1K87 T88 P89 L94 K95 E96K87-M92 HydrophobicContact CB-CG 3.81Å; K87-M92 HydrophobicContact CD-CG 4.47Å; T88-M92 PolarHBondContact O-N 3.05Å; P89-M92 HydrophobicContact CB-CE 4.47Å; P89-M92 PolarHBondContact O-N 2.78Å; M92-L94 VanDerWaalsContact C-N 3.31Å; M92-L94 PolarHBondContact O-N 3.03Å; M92-K95 PolarHBondContact O-N 3.05Å; M92-E96 PolarHBondContact O-N 3.47Å
93R66.4Low61.4Low165 Ų165131.2 Ų131.262%0.62360%0.598SS**Hα-helixtrans-64-34.3177.1179.8176.4146.3165.8-4.8112.8P89 A90 E91 K95 R97P89-R93 WeakPolarHBondContact O-CB 3.49Å; P89-R93 PolarHBondContact O-N 2.69Å; A90-R93 PolarHBondContact O-N 2.83Å; E91-R93 VanDerWaalsContact C-N 3.34Å; R93-K95 VanDerWaalsContact C-N 3.35Å; R93-R97 PolarHBondContact O-N 3.04Å
94L64.9Low59.8Low100 Ų100122.5 Ų122.552%0.52459%0.585SS.*Hα-helixtrans-68.9-36.3175.8-170.867.7000111.6A90 E91 M92 R97 R98A90-L94 PolarHBondContact O-N 2.83Å; E91-L94 PolarHBondContact O-N 3.11Å; M92-L94 VanDerWaalsContact C-N 3.31Å; M92-L94 PolarHBondContact O-N 3.03Å; L94-R97 PolarHBondContact O-N 3.23Å; L94-R98 PolarHBondContact O-N 2.85Å
95K61.1Low58.4Low107 Ų107124.3 Ų124.347%0.46560%0.603SS.*Hα-helixtrans-67.7-41.1176.2-175.3165.6179.4177.70111.7E91 M92 R93 R97 R98 D99E91-K95 PolarHBondContact O-N 2.92Å; M92-K95 PolarHBondContact O-N 3.05Å; R93-K95 VanDerWaalsContact C-N 3.35Å; K95-R97 PolarHBondContact O-N 3.48Å; K95-R98 PolarHBondContact O-N 3.47Å; K95-D99 WeakPolarHBondContact CE-OD2 3.44Å; K95-D99 WeakPolarHBondContact CG-OD2 3.44Å; K95-D99 PolarHBondContact O-N 2.57Å
96E56.2Low57.4Low148 Ų148124 Ų12469%0.69260%0.601SS**Hα-helixtrans-60.1-31.8176.4-157.7173.5-154.600112.7M92 E100M92-E96 PolarHBondContact O-N 3.47Å; E96-E100 PolarHBondContact O-N 2.85Å
97R56.4Low56.4Low186 Ų186127.5 Ų127.570%0.70262%0.619SS**Hα-helixtrans-74.4-24.6172.5-75.3-174.4167.9-125.6-2.4114.6R93 L94 K95R93-R97 PolarHBondContact O-N 3.04Å; L94-R97 PolarHBondContact O-N 3.23Å; K95-R97 PolarHBondContact O-N 3.48Å
98R56.4Low55.1Low203 Ų203131.4 Ų131.477%0.76663%0.632SS**Hα-helixtrans-88.4-32.5178.3-74.5-172.6177.8-160.91112.6L94 K95 E100L94-R98 PolarHBondContact O-N 2.85Å; K95-R98 PolarHBondContact O-N 3.47Å; R98-E100 VanDerWaalsContact C-N 3.28Å
99D55.4Low53.8Low101 Ų101141 Ų14154%0.5467%0.666SS.*SBendtrans-89.99.9178.3-66.1-39.1000112.5K95 P101K95-D99 WeakPolarHBondContact CE-OD2 3.44Å; K95-D99 WeakPolarHBondContact CG-OD2 3.44Å; K95-D99 PolarHBondContact O-N 2.57Å; D99-P101 WeakPolarHBondContact O-CD 3.4Å
100E49.7Very low52.8Low125 Ų125142 Ų14258%0.58468%0.675SS**  trans-58.1102.9164.7-133.9-88.514300106.3E96 R98 H102E96-E100 PolarHBondContact O-N 2.85Å; R98-E100 VanDerWaalsContact C-N 3.28Å; E100-H102 PolarHBondContact O-N 3.34Å
101P50.6Low51.3Low97 Ų97150.3 Ų150.363%0.6369%0.691SS**  trans-62.4122.9-180-0.514.3000103.5D99 R103D99-P101 WeakPolarHBondContact O-CD 3.4Å; P101-R103 WeakPolarHBondContact O-CA 3.28Å; P101-R103 WeakPolarHBondContact O-CB 3.37Å; P101-R103 PolarHBondContact O-N 3.31Å
102H48.3Very low50.1Low186 Ų186150.2 Ų150.286%0.86170%0.702SS**  trans-51.287.8167.3-84.126.5000108.1E100 G104E100-H102 PolarHBondContact O-N 3.34Å; H102-G104 PolarHBondContact O-N 3.01Å
103R47.8Very low48.9Very low232 Ų232156.9 Ų156.988%0.87572%0.721SS**  trans-81.884.2-171.5-163.6-175.1-170-1744.4104.8P101 G105P101-R103 WeakPolarHBondContact O-CA 3.28Å; P101-R103 WeakPolarHBondContact O-CB 3.37Å; P101-R103 PolarHBondContact O-N 3.31Å; R103-G105 PolarHBondContact O-N 2.93Å
104G43Very low47.7Very low63 Ų63153.9 Ų153.965%0.64973%0.725SS**  trans51.456.715800000113.6H102 R106H102-G104 PolarHBondContact O-N 3.01Å; G104-R106 PolarHBondContact O-N 3.02Å
105G40.8Very low46.4Very low76 Ų76161.1 Ų161.178%0.78475%0.746SS**  trans-60.689.8156.700000107.8R103 K107R103-G105 PolarHBondContact O-N 2.93Å; G105-K107 PolarHBondContact O-N 2.94Å
106R46.4Very low45.3Very low203 Ų203160.9 Ų160.977%0.76676%0.758SS**  trans-56.583.3169.7-76.7-177.9-172.9172.73.6107.7G104 Y108G104-R106 PolarHBondContact O-N 3.02Å; R106-Y108 HydrophobicContact CB-CD2 4.37Å; R106-Y108 HydrophobicContact CB-CE2 4.24Å; R106-Y108 PolarHBondContact O-N 3.36Å
107K43.9Very low44.7Very low192 Ų192163.2 Ų163.284%0.83576%0.762SS**  trans-66.297.8157.4-103.2179.1176.8174.30104.7G105 R109G105-K107 PolarHBondContact O-N 2.94Å; K107-R109 PolarHBondContact O-N 2.96Å
108Y39Very low43.7Very low199 Ų199159.8 Ų159.878%0.7877%0.766SS**  trans-55.577.2157.7-77.5-92.1000107.3R106 S110R106-Y108 HydrophobicContact CB-CD2 4.37Å; R106-Y108 HydrophobicContact CB-CE2 4.24Å; R106-Y108 PolarHBondContact O-N 3.36Å; Y108-S110 PolarHBondContact O-N 2.95Å
109R40.3Very low43.1Very low222 Ų222155.3 Ų155.384%0.83876%0.757SS**  trans-82.587173.2-146175.4-169.4-1791.5104.9K107 R111K107-R109 PolarHBondContact O-N 2.96Å; R109-R111 PolarHBondContact O-N 3.25Å
110S42.9Very low42.2Very low93 Ų93154.5 Ų154.565%0.6576%0.76SS**  trans13.797.5152.650.20000112.9Y108 S112Y108-S110 PolarHBondContact O-N 2.95Å; S110-S112 VanDerWaalsContact C-N 3.28Å; S110-S112 PolarHBondContact O-N 2.91Å; S110-S112 PolarHBondContact O-OG 2.97Å
111R38.1Very low41.7Very low246 Ų246159.3 Ų159.393%0.92877%0.772SS**  trans-58.488.5177.2-147.5172.1-165.8155.61.2108.5R109 R113R109-R111 PolarHBondContact O-N 3.25Å; R111-R113 PolarHBondContact O-N 3.05Å
112S41.8Very low41.4Very low103 Ų103163.2 Ų163.272%0.7278%0.782SS**  trans-62.3103.2172.6-57.10000107.8S110 S114S110-S112 VanDerWaalsContact C-N 3.28Å; S110-S112 PolarHBondContact O-N 2.91Å; S110-S112 PolarHBondContact O-OG 2.97Å; S112-S114 PolarHBondContact O-N 3.19Å
113R36.7Very low40.9Very low248 Ų248164.2 Ų164.294%0.93678%0.784SS**  trans-63.597.7170.8-82.5175.7166.3137.8-6.1108.2R111R111-R113 PolarHBondContact O-N 3.05Å
114S41.3Very low40.3Very low101 Ų101156.4 Ų156.471%0.70678%0.776SS**  trans-132.485.1164.9-53.80000107.3S112 S116S112-S114 PolarHBondContact O-N 3.19Å; S114-S116 PolarHBondContact O-N 2.94Å
115R38.8Very low40.1Very low252 Ų252160.6 Ų160.695%0.95179%0.789SS**  trans-83.3103.9170.3-81.9179.4172.4162.7-4.6107.6
116S38Very low39.8Very low103 Ų103165.3 Ų165.372%0.7279%0.79SS**  trans-133.985.3167.4-41.40000107.6S114 S118S114-S116 PolarHBondContact O-N 2.94Å; S116-S118 PolarHBondContact O-N 2.77Å
117Y42.6Very low39.8Very low197 Ų197159.6 Ų159.677%0.77378%0.779SS**  trans-85.493.8164.8176.9-99000107.2N119Y117-N119 HydrophobicContact CD2-CB 4.2Å; Y117-N119 HydrophobicContact CE1-CB 4.1Å; Y117-N119 HydrophobicContact CE2-CB 3.5Å; Y117-N119 VanDerWaalsContact CZ-CB 3.46Å
118S36.6Very low39.3Very low114 Ų114159.2 Ų159.280%0.79777%0.774SS**  trans-100.892.7160.3-47.90000105.6S116S116-S118 PolarHBondContact O-N 2.77Å
119N43.9Very low39.3Very low108 Ų108159 Ų15958%0.57877%0.773SS**  trans-133.199.4162.7-158.719.6000110Y117Y117-N119 HydrophobicContact CD2-CB 4.2Å; Y117-N119 HydrophobicContact CE1-CB 4.1Å; Y117-N119 HydrophobicContact CE2-CB 3.5Å; Y117-N119 VanDerWaalsContact CZ-CB 3.46Å
120S34.9Very low39.3Very low84 Ų84159.1 Ų159.159%0.58777%0.774SS**  trans-50155.7158.751.20000113.5
121R40.4Very low39Very low226 Ų226158.1 Ų158.185%0.85378%0.778SS**  trans100104.5160.2-59.3171.9175.5178.3-2.3115.4
122Q43.3Very low39.4Very low180 Ų180157.2 Ų157.284%0.84177%0.774SS**  163.6114.3116.2-83167.519.800108.5
123K38.3Very low39.7Very low206 Ų206157 Ų15790%0.89677%0.77SS**  69.79897.9-144.7-179.4-171.3-1740110.1
124G35.4Very low40Very low69 Ų69150.3 Ų150.371%0.71175%0.753SS**  113.1132.872.300000109.6
125V39.5Very low40.2Very low150 Ų150149.8 Ų149.891%0.90974%0.742SS**  trans78.7108.1155.8-167.50000118.8
126E34.7Very low40.5Very low176 Ų176146.7 Ų146.782%0.82273%0.731SS**  trans-74.3170.4152-70.6-143.9139.400110.6
127P45.2Very low40.6Very low82 Ų82151.9 Ų151.953%0.53274%0.735SS.*  cis-132.3-168.8-3.420.56.7000113.1
128Y33.9Very low40.7Very low184 Ų184149 Ų14972%0.72273%0.733SS**  trans78.8138155.261.6-114.2000123
129Y38.1Very low41Very low194 Ų194148.7 Ų148.776%0.76172%0.722SS**  trans66.8138.4168.1-58-70.8000116.9
130R39.9Very low40.8Very low226 Ų226147.1 Ų147.185%0.85372%0.72SS**  cis179.5134.3-12.4-166.1-178.3-142.7169.82.4103.1
131G37.8Very low41.4Very low71 Ų71151.7 Ų151.773%0.73272%0.724SS**  trans91.686152.200000118.4
132R46.8Very low41.5Very low227 Ų227150.3 Ų150.386%0.85772%0.719SS**  6.9154106.9-105-164.8-176.2-153.22.7116.3
133P48.6Very low41.5Very low98 Ų98150.8 Ų150.864%0.63671%0.713SS**  cis-157.2169.640.640.7-18.4000119.3
134N42.6Very low41.7Very low109 Ų109146.6 Ų146.658%0.58370%0.699SS**  trans78.9138.7138.7-72.91.6000118.4
135D44.1Very low42Very low89 Ų89149.5 Ų149.548%0.47670%0.698SS.*  cis-175.1149.29.6-120.1-32.8000110
136R44.9Very low42.1Very low187 Ų187149.4 Ų149.471%0.70669%0.692SS**  trans71.5136.9145.8-59.2161-151177.312.6118
137R41.8Very low42.6Very low213 Ų213147.9 Ų147.980%0.80470%0.695SS**  cis-172.2129.62-110.3174.8-170178.41.5104.2
138D44.4Very low42.4Very low137 Ų137155 Ų15573%0.73371%0.711SS**  85.5104.391-153.3-107.5000110.5
139D42.6Very low43Very low107 Ų107151 Ų15157%0.57271%0.707SS**  99.2137.8103.2-153.1-104.4000106.2R141D139-R141 IonicContact OD1-NE 3.63Å; D139-R141 IonicContact OD1-NH2 3.81Å
140S39Very low43.1Very low75 Ų75148.9 Ų148.952%0.52471%0.71SS.*  cis-168.7143.543.2-37.10000108.3
141R47Very low43Very low179 Ų179149.2 Ų149.268%0.67571%0.711SS**  trans78101.7133.4-64.1163.1-150.7-160.411.1115.4D139D139-R141 IonicContact OD1-NE 3.63Å; D139-R141 IonicContact OD1-NH2 3.81Å
142R44.2Very low43Very low198 Ų198150.8 Ų150.875%0.74771%0.711SS**  73.6130.388.4-73.5172.2-155.3-168.84108.7
143R42.7Very low42.8Very low190 Ų190144.2 Ų144.272%0.71771%0.705SS**  cis169.9153.321-114.4172.7-176-140.17.3104.4
144I42.1Very low42.6Very low118 Ų118143.6 Ų143.661%0.60570%0.703SS**  trans7198.3134.9-63.2169.3000115
145N42.9Very low42.7Very low130 Ų130149.4 Ų149.470%0.69572%0.716SS**  98.112882.2-75.4-12.7000110.7
146N41Very low42.9Very low147 Ų147149.6 Ų149.679%0.78673%0.725SS**  trans38.3124.4137.7-59.5-5.9000118.1
147V46.1Very low42.9Very low145 Ų145152 Ų15288%0.87973%0.734SS**  -178127.9117.1153.10000108.6
148R39.6Very low43.1Very low231 Ų231147.1 Ų147.187%0.87273%0.732SS**  trans-66.3-174.3167.6-94.8178.6169.8-168.4-2.3110.5
149P47.6Very low43.4Very low99 Ų99146.7 Ų146.764%0.64374%0.737SS**  cis-135.2-171.9-3232.5-11.4000113
150N39.1Very low43.5Very low151 Ų151147.9 Ų147.981%0.80775%0.748SS**  trans84.6145.8149.1-73.5-16.2000122.5
151R38.4Very low43.7Very low233 Ų233155.5 Ų155.588%0.87977%0.765SS**  trans93.299.7152.1-90.3-179.2171168.7-2.9120.3
152S37.6Very low43.7Very low104 Ų104151.4 Ų151.473%0.72776%0.764SS**  41.2120.2119.161.10000119.9
153A43.2Very low43.7Very low89 Ų89153.9 Ų153.974%0.73677%0.774SS**  trans173.2105.7140.400000107.6
154S42.9Very low43.7Very low84 Ų84150.7 Ų150.759%0.58778%0.78SS**  95.5133.98076.20000112.7
155R46.3Very low44.2Very low232 Ų232150 Ų15088%0.87579%0.792SS**  trans77.7137.8149.2-59.3155.8-171.6-153.32.8115.3
156S48.4Very low44.6Very low93 Ų93149 Ų14965%0.6580%0.795SS**  cis176.8154.91.144.10000109.4
157R45.1Very low45.1Very low238 Ų238150.8 Ų150.890%0.89880%0.799SS**  trans86.6108.3147.6-73.5162.8-176.7-149.30.9120.9
158S45.5Very low45.2Very low110 Ų110150.8 Ų150.877%0.76979%0.794SS**  trans-60.3176.2155.6-34.50000112.8
159P50.9Low45.7Very low128 Ų128143.3 Ų143.383%0.83179%0.788SS**  -153.8-177.678.837.2-13.8000117.3
160T44.2Very low45.8Very low131 Ų131147.2 Ų147.280%0.80480%0.8SS**  trans-81.3159.2-163.145.60000116.4
161R42.1Very low46.5Very low236 Ų236147.3 Ų147.389%0.89180%0.8SS**  trans-174.499.1141.8-105.4-171.8165.5-158-2.8108.5
162S47.6Very low47.1Very low93 Ų93143.4 Ų143.465%0.6580%0.797SS**  64.7109.991.468.60000115.1
163R44Very low47.6Very low250 Ų250142 Ų14294%0.94380%0.8SS**  -178.2122.2120.4-96.8168-175.3-173.10.2111.3
164S43.9Very low47.9Very low123 Ų123145.3 Ų145.386%0.8681%0.805SS**  trans-81.4145.8174.727.50000111.6
165A52.1Low48.3Very low103 Ų103148.7 Ų148.785%0.85181%0.811SS**  trans-154.1111.3150.200000108.2
166S50.4Low48.6Very low108 Ų108143 Ų14376%0.75580%0.802SS**  trans-72.2137.6174.742.20000111.9
167H53.1Low48.9Very low186 Ų186148.7 Ų148.786%0.86181%0.809SS**  trans-150.4100.8150.8-149.173000109.3
168D48.3Very low49.1Very low145 Ų145147 Ų14778%0.77581%0.808SS**  trans-69.6138162.7-79.8-77.1000109.4
169G48Very low49.2Very low73 Ų73145.3 Ų145.375%0.75381%0.809SS**  trans-171.778.3178.400000109.7
170M50.2Low48.9Very low181 Ų181144.4 Ų144.489%0.89281%0.805SS**  trans-63135.8165.6-61.1166.817100109.3
171D53.2Low49.4Very low153 Ų153149.9 Ų149.982%0.81881%0.811SS**  -165.7140.4127.5-160.513.4000111.2
172N52.8Low49.6Very low151 Ų151149.1 Ų149.181%0.80781%0.809SS**  trans-83.7159.2-176.6-65.7-80.1000110.9
173G47.7Very low49.8Very low76 Ų76152.7 Ų152.778%0.78482%0.82SS**  trans166.783.9166.600000114.3E175G173-E175 PolarHBondContact O-N 3.1Å
174D49Very low50.1Low157 Ų157147.5 Ų147.584%0.8481%0.811SS**  trans-43.1125.8158.3-80-86.3000112.8
175E50.6Low50.2Low155 Ų155152.5 Ų152.572%0.72481%0.811SS**  trans-146113.4141.7-140.6-167.9138.700111.9G173 R177G173-E175 PolarHBondContact O-N 3.1Å; E175-R177 PolarHBondContact O-N 2.96Å; E175-R177 IonicContact OE1-CZ 3.73Å; E175-R177 IonicContact OE1-NE 3.45Å; E175-R177 PolarHBondContact OE1-NE 3.42Å; E175-R177 IonicContact OE1-NH2 3.15Å; E175-R177 PolarHBondContact OE1-NH2 2.66Å; E175-R177 VanDerWaalsContact OE1-NH2 3.15Å
176V53.7Low50.2Low112 Ų112159.5 Ų159.568%0.67982%0.816SS**  trans-67116.5173.2175.10000109.8
177R53.8Low50.4Low214 Ų214160.7 Ų160.781%0.80881%0.814SS**  trans-135.4104.6153-71.2-166.4-171.9-170.54.2113.2E175E175-R177 PolarHBondContact O-N 2.96Å; E175-R177 IonicContact OE1-CZ 3.73Å; E175-R177 IonicContact OE1-NE 3.45Å; E175-R177 PolarHBondContact OE1-NE 3.42Å; E175-R177 IonicContact OE1-NH2 3.15Å; E175-R177 PolarHBondContact OE1-NH2 2.66Å; E175-R177 VanDerWaalsContact OE1-NH2 3.15Å
178K50.8Low50.4Low201 Ų201159.3 Ų159.387%0.87481%0.813SS**  trans-49.3130.8162.2-72.4172.1173172.50110.9
179G46.5Very low50.5Low76 Ų76163.6 Ų163.678%0.78482%0.818SS**  trans-148.965.7172.300000110.8R181G179-R181 PolarHBondContact O-N 3.36Å
180S45.6Very low50.6Low109 Ų109164.1 Ų164.176%0.76282%0.815SS**  trans-65.3110.9171.951.60000110.7
181R53Low50.9Low246 Ų246161.6 Ų161.693%0.92881%0.809SS**  trans-127.397.9156-74.3-170.8-179.6169.31.5109.9G179G179-R181 PolarHBondContact O-N 3.36Å
182R48.2Very low50.9Low220 Ų220159.7 Ų159.783%0.8381%0.808SS**  trans-49.3129.7156.5-61171178.9173.1-1.9107.8
183N51.2Low51Low167 Ų167163.8 Ų163.889%0.89381%0.812SS**  trans-136.2112.5147.9-106.2-11.1000107.9
184D49.5Very low51.4Low142 Ų142165.7 Ų165.776%0.75981%0.814SS**  trans-63.8144-173.2-73.4-68.7000112.4R186D184-R186 PolarHBondContact O-N 3.12Å
185R45.6Very low51.6Low228 Ų228163.4 Ų163.486%0.8681%0.807SS**  trans-46.1127.2161-64.6164.5175.7154.6-2.3110.1
186R53.6Low52Low249 Ų249160.9 Ų160.994%0.9481%0.813SS**  trans-135.398.7143.9-76.1-164.1-177.3-177.51.6109.5D184D184-R186 PolarHBondContact O-N 3.12Å
187D53.4Low51.8Low134 Ų134163.6 Ų163.672%0.71782%0.818SS**  trans-49.1139.1151.2-62.5-69.6000110.7
188N53.8Low51.9Low157 Ų157165.3 Ų165.384%0.8482%0.824SS**  trans17390.6141.1-85.7-23.6000107.3
189R50.5Low51.9Low235 Ų235167.9 Ų167.989%0.88783%0.829SS**  67.294.183.4-159.3173.3-161.7172.54.1112.5
190A49.2Very low52.2Low83 Ų83168 Ų16869%0.68683%0.83SS**  trans29.4123.8138.900000119.1
191V57.9Low52.7Low128 Ų128167.7 Ų167.778%0.77683%0.827SS**  -151.7113.8120.4172.50000109
192S52Low52.9Low114 Ų114163.6 Ų163.680%0.79782%0.823SS**  trans-72.9132.8161.4-13.60000109.2
193R56.3Low53.5Low237 Ų237157.4 Ų157.489%0.89481%0.814SS**  trans-160109.5160.5-105.6166.9-167-1552.5110.1
194S55Low53.9Low116 Ų116160 Ų16081%0.81181%0.811SS**  trans-86-177.7167.3-43.30000110.2
195P54Low54.4Low108 Ų108158.2 Ų158.270%0.70181%0.81SS**  -104.3152.3-115.919.23.4000113.3
196A59.1Low54.9Low102 Ų102159.1 Ų159.184%0.84381%0.813SS**  trans-110.2118.2176.200000111.9
197H48Very low55.3Low170 Ų170152.9 Ų152.979%0.78781%0.808SS**  trans-57.8133.6167.7-37.1-79.1000111
198R56.8Low55.8Low249 Ų249150.3 Ų150.394%0.9481%0.812SS**  trans-138.9109.2153.1-83.1-164.5178.1-128.1-0.1110.7
199R50.8Low56.4Low256 Ų256148.1 Ų148.197%0.96681%0.809SS**  trans-61.9139.8155.6-68-179.2172.8-160.5-2.1108.5
200G51.9Low56.8Low79 Ų79151.7 Ų151.781%0.81483%0.825SS**  trans-163.487.3175.400000109.4
201S57.8Low57.2Low101 Ų101155.2 Ų155.271%0.70683%0.832SS**  trans-69.7170.7175.238.80000113.3
202L57.1Low57.2Low160 Ų160156.6 Ų156.684%0.83884%0.835SS**  trans82.3138.2167.5-59.2114.9000115.1
203S61.2Low57.5Low90 Ų90158.9 Ų158.963%0.62984%0.837SS**  cis177.6166.4-10.753.90000106.4
204R57.8Low57.5Low222 Ų222154.4 Ų154.484%0.83883%0.834SS**  trans87.792.2153.7-72171.7162.5-168.3-6119.5
205S59.9Low57.7Low105 Ų105156.8 Ų156.873%0.73484%0.835SS**  50.6125.1112.558.50000120.1
206R58.1Low57.9Low246 Ų246160 Ų16093%0.92884%0.844SS**  trans-161125.1131.4-106.3163.7-178.6-164.7-0.9111.9
207S60.7Low57.9Low119 Ų119164.1 Ų164.183%0.83285%0.845SS**  trans-31.4146.3163.147.20000117.6
208G63.1Low58.6Low79 Ų79163.7 Ų163.781%0.81485%0.849SS**  trans-160.8110.816100000110.3
209S66.9Low58.8Low111 Ų111156.6 Ų156.678%0.77684%0.841SS**  trans-74151.3-175.8-41.70000113.5
210Y60.1Low59.5Low311 Ų311147.5 Ų147.5100%1.2283%0.83SS**  trans-146.50140-88.3-78.7000108

Retrieved 210 of 210 residues in 207.1 ms (Link to these results)

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