A0A3Q0KHV0_SCHMA Loading...

IRS-type PTB domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KHV0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 743 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M36.2Very low71.9Confident235 Ų235102.6 Ų102.6100%1.15849%0.494SS*.  066.80-65177.6172.400110.7
2N40.7Very low73.3Confident140 Ų14094.4 Ų94.475%0.74945%0.454SS*.  trans-160.140.2175-108.7-19.4000112.2L4N2-L4 HydrophobicContact CB-CD1 3.94Å; N2-L4 VanDerWaalsContact O-CD1 3.3Å; N2-L4 WeakPolarHBondContact O-CD1 3.29Å; N2-L4 PolarHBondContact O-N 3.46Å; N2-L4 WeakPolarHBondContact OD1-CD1 3.27Å
3D49.3Very low74.2Confident153 Ų15389.9 Ų89.982%0.81843%0.431SS*.  trans-72.174171.8-67.5-59.5000110.3S5D3-S5 PolarHBondContact O-N 3.44Å
4L62.8Low74.5Confident81 Ų8188.5 Ų88.542%0.42442%0.42SS..  trans-69.723179-91.280.6000113.2N2 R34N2-L4 HydrophobicContact CB-CD1 3.94Å; N2-L4 VanDerWaalsContact O-CD1 3.3Å; N2-L4 WeakPolarHBondContact O-CD1 3.29Å; N2-L4 PolarHBondContact O-N 3.46Å; N2-L4 WeakPolarHBondContact OD1-CD1 3.27Å; L4-R34 HydrophobicContact CB-CB 4.06Å; L4-R34 WeakPolarHBondContact O-CB 3.29Å; L4-R34 WeakPolarHBondContact O-CD 3.31Å; L4-R34 WeakPolarHBondContact O-CG 3.4Å
5S78.1Confident74.2Confident58 Ų5885.7 Ų85.741%0.40641%0.408SS..  trans-78.9144.5173.6790000111.4D3 L32D3-S5 PolarHBondContact O-N 3.44Å; S5-L32 WeakPolarHBondContact CA-O 3.23Å
6L86Confident73.5Confident35 Ų3582.9 Ų82.918%0.18340%0.398CS..EExtended strand (participates in β ladder)trans-110.5125.5164.2-67178.9000108.8V31 L32 I131 W132 S135L6-V31 CarbonylContact O-C 3.57Å; L6-V31 VanDerWaalsContact O-CA 3.28Å; L6-V31 WeakPolarHBondContact O-CA 3.06Å; L6-L32 HydrophobicContact CB-CB 4.23Å; L6-L32 HydrophobicContact CD1-CD2 4.2Å; L6-L32 PolarHBondContact N-O 3.25Å; L6-L32 VanDerWaalsContact N-O 3.1Å; L6-L32 PolarHBondContact O-N 3.3Å; L6-I131 HydrophobicContact CD1-CG2 3.66Å; L6-I131 HydrophobicContact CD2-CG2 4.05Å; L6-W132 HydrophobicContact CB-CZ2 4.24Å; L6-W132 WeakPolarHBondContact O-CZ2 3.24Å; L6-S135 WeakPolarHBondContact CD1-OG 3.48Å
7R88.7Confident72.1Confident171 Ų17181.2 Ų81.265%0.64539%0.392SS*.EExtended strand (participates in β ladder)trans-117.9128.5176.3-176.7171-169.1-163.72.9109.6V29 L30 V31R7-V29 HydrophobicContact CG-CG1 3.86Å; R7-L30 WeakPolarHBondContact CA-O 3.47Å; R7-V31 HydrophobicContact CG-CG2 4.13Å
8T87.8Confident70.5Confident21 Ų2181.9 Ų81.913%0.12941%0.405CS..EExtended strand (participates in β ladder)trans-147.7163.6171-1650000111.6L30 F123 D128 W132T8-L30 HydrophobicContact CG2-CB 4.49Å; T8-L30 PolarHBondContact N-O 3.43Å; T8-L30 PolarHBondContact O-N 3.14Å; T8-F123 HydrophobicContact CG2-CD1 4.03Å; T8-F123 HydrophobicContact CG2-CE1 3.79Å; T8-D128 VanDerWaalsContact CB-OD1 3.27Å; T8-D128 WeakPolarHBondContact CB-OD1 3.44Å; T8-D128 PolarHBondContact OG1-OD1 3.49Å; T8-W132 HydrophobicContact CG2-CZ2 4.07Å; T8-W132 VanDerWaalsContact CG2-NE1 3.32Å
9R87.2Confident68.9Low175 Ų17583.2 Ų83.266%0.6642%0.421SS*.EExtended strand (participates in β ladder)trans-92.1129.7171.2-83.4175.4167.8159-4.4109V29R9-V29 HydrophobicContact CG-CG2 4.04Å
10G87.2Confident67.7Low4 Ų482.2 Ų82.24%0.04143%0.426CS..EExtended strand (participates in β ladder)trans-160.1-157-178.900000112.4A28 G122G10-A28 PolarHBondContact N-O 3.24Å; G10-A28 PolarHBondContact O-N 2.93Å; G10-A28 VanDerWaalsContact O-O 3.07Å; G10-G122 CarbonylContact C-O 3.59Å; G10-G122 WeakPolarHBondContact CA-O 3.49Å
11Y87.4Confident66.5Low56 Ų5685.1 Ų85.122%0.2244%0.442CS..EExtended strand (participates in β ladder)trans-124.2146.8176.8-55.3-91.2000108.6W25 N26 R27 P102 L121 G122 T124Y11-W25 HydrophobicContact CD1-CB 4.49Å; Y11-N26 CarbonylContact C-O 3.57Å; Y11-N26 VanDerWaalsContact CA-O 3.25Å; Y11-N26 WeakPolarHBondContact CA-O 3.49Å; Y11-R27 HydrophobicContact CD1-CB 4.09Å; Y11-R27 HydrophobicContact CD1-CG 4.33Å; Y11-R27 HydrophobicContact CE1-CB 4.06Å; Y11-R27 HydrophobicContact CE1-CG 4.02Å; Y11-P102 HydrophobicContact CD2-CB 3.89Å; Y11-P102 HydrophobicContact CD2-CG 4.21Å; Y11-P102 HydrophobicContact CE2-CB 4.44Å; Y11-P102 HydrophobicContact CG-CG 4.36Å; Y11-L121 CarbonylContact O-C 3.55Å; Y11-G122 PolarHBondContact N-O 3.48Å; Y11-G122 PolarHBondContact O-N 3.34Å; Y11-T124 HydrophobicContact CE2-CG2 4.25Å
12F87.8Confident67.2Low4 Ų482.8 Ų82.82%0.01843%0.425CS..EExtended strand (participates in β ladder)trans-130.9158.7169.383.2-75.2000111.2N26 A28 L30 A43 L45 I60 W120 L121F12-N26 HydrophobicContact CD1-CB 3.92Å; F12-N26 HydrophobicContact CE1-CB 3.39Å; F12-N26 HydrophobicContact CZ-CB 3.85Å; F12-N26 PolarHBondContact N-O 3.33Å; F12-N26 PolarHBondContact O-N 3.48Å; F12-A28 HydrophobicContact CD1-CB 3.62Å; F12-A28 HydrophobicContact CE1-CB 3.92Å; F12-L30 HydrophobicContact CB-CD2 4.1Å; F12-A43 HydrophobicContact CD1-CB 3.94Å; F12-A43 HydrophobicContact CD2-CB 4.42Å; F12-A43 HydrophobicContact CE1-CB 4.2Å; F12-A43 HydrophobicContact CG-CB 4.06Å; F12-L45 HydrophobicContact CE1-CD1 3.72Å; F12-L45 HydrophobicContact CE1-CD2 4.26Å; F12-L45 HydrophobicContact CE1-CG 3.91Å; F12-L45 HydrophobicContact CZ-CD1 3.8Å; F12-L45 HydrophobicContact CZ-CD2 4.26Å; F12-L45 HydrophobicContact CZ-CG 4.25Å; F12-I60 HydrophobicContact CE2-CD1 3.86Å; F12-I60 HydrophobicContact CZ-CD1 3.69Å; F12-W120 CarbonylContact C-O 3.59Å; F12-W120 WeakPolarHBondContact CA-O 3.27Å; F12-L121 HydrophobicContact CB-CD2 4.14Å
13K84.8Confident68Low36 Ų3682.5 Ų82.516%0.15742%0.417CS..EExtended strand (participates in β ladder)trans-150.7102.5174.8173.7176.4178.8175.80108.1L15 K23 E24 W25 W120K13-L15 HydrophobicContact CG-CG 4.47Å; K13-K23 WeakPolarHBondContact CE-O 3.32Å; K13-K23 PolarHBondContact NZ-O 2.61Å; K13-E24 WeakPolarHBondContact CD-O 3.38Å; K13-W25 HydrophobicContact CB-CD2 4.16Å; K13-W25 HydrophobicContact CB-CE3 3.83Å; K13-W25 HydrophobicContact CB-CZ3 4.15Å; K13-W25 HydrophobicContact CD-CD2 4.36Å; K13-W120 HydrophobicContact CB-CB 4.18Å; K13-W120 PolarHBondContact N-O 3.06Å; K13-W120 PolarHBondContact O-N 3.22Å
14Y78.9Confident69Low70 Ų7081.2 Ų81.228%0.27541%0.406SS..EExtended strand (participates in β ladder)trans-99.1129179.9-173.3-138.1000109.7T16 I62 F67 Q118 L119Y14-T16 HydrophobicContact CD1-CG2 4.3Å; Y14-T16 HydrophobicContact CE1-CG2 3.65Å; Y14-T16 HydrophobicContact CE2-CG2 3.96Å; Y14-T16 VanDerWaalsContact CZ-CG2 3.45Å; Y14-I62 HydrophobicContact CD1-CD1 4.15Å; Y14-I62 HydrophobicContact CD2-CD1 4.12Å; Y14-I62 HydrophobicContact CE1-CD1 4.48Å; Y14-I62 HydrophobicContact CE2-CD1 4.47Å; Y14-I62 HydrophobicContact CE2-CG2 4.05Å; Y14-I62 HydrophobicContact CG-CD1 3.96Å; Y14-F67 HydrophobicContact CE2-CZ 4.19Å; Y14-Q118 WeakPolarHBondContact CD2-O 3.45Å; Y14-L119 HydrophobicContact CD2-CB 4.07Å; Y14-L119 HydrophobicContact CD2-CD1 4.14Å; Y14-L119 HydrophobicContact CG-CD1 4.42Å
15L70.1Confident69.9Low46 Ų4678.8 Ų78.824%0.24139%0.392CS..EExtended strand (participates in β ladder)trans-123.1114.4-176-68.5168.1000109.9K13 Q118K13-L15 HydrophobicContact CG-CG 4.47Å; L15-Q118 HydrophobicContact CB-CB 4.29Å; L15-Q118 PolarHBondContact N-O 3.35Å; L15-Q118 PolarHBondContact O-N 3.4Å; L15-Q118 VanDerWaalsContact O-N 3.11Å
16T63.2Low70.1Confident41 Ų4179.7 Ų79.725%0.25239%0.392SS..SBendtrans-125.796.7176.745.70000109.9Y14 C18 K117 N319Y14-T16 HydrophobicContact CD1-CG2 4.3Å; Y14-T16 HydrophobicContact CE1-CG2 3.65Å; Y14-T16 HydrophobicContact CE2-CG2 3.96Å; Y14-T16 VanDerWaalsContact CZ-CG2 3.45Å; T16-C18 PolarHBondContact O-N 3.21Å; T16-K117 HydrophobicContact CG2-CG 4.42Å; T16-N319 PolarHBondContact O-ND2 2.97Å
17N50.2Low69.9Low55 Ų5584 Ų8429%0.29441%0.406SS..SBendtrans57.8-2.8173.4-57.30.2000118.8H317 L318 N319N17-H317 HydrophobicContact CB-CB 4.44Å; N17-H317 VanDerWaalsContact CG-CB 3.45Å; N17-H317 VanDerWaalsContact ND2-CB 3.35Å; N17-H317 WeakPolarHBondContact ND2-CB 3.33Å; N17-H317 PolarHBondContact ND2-O 3.09Å; N17-H317 WeakPolarHBondContact OD1-CB 3.49Å; N17-L318 PolarHBondContact ND2-N 2.69Å; N17-N319 PolarHBondContact ND2-N 3.13Å; N17-N319 VanDerWaalsContact ND2-N 3.16Å; N17-N319 PolarHBondContact ND2-OD1 3.41Å; N17-N319 VanDerWaalsContact ND2-OD1 3.08Å
18C42.4Very low69.8Low93 Ų9376 Ų7663%0.62838%0.376SS*.  trans-73.1143.8174.3-78.60000113.1T16T16-C18 PolarHBondContact O-N 3.21Å
19P40.6Very low69.8Low107 Ų10775.4 Ų75.470%0.69537%0.372SS*.  trans-63.1155.7171.827.7-34.6000111.5N21P19-N21 PolarHBondContact O-N 2.8Å
20A44.5Very low69.9Low63 Ų6367 Ų6752%0.52134%0.341SS..THydrogen-bonded Turntrans-71.526.6-159.400000117.5K23A20-K23 VanDerWaalsContact O-CD 3.24Å; A20-K23 WeakPolarHBondContact O-CD 3.35Å; A20-K23 WeakPolarHBondContact O-CE 3.46Å; A20-K23 WeakPolarHBondContact O-CG 3.32Å
21N42Very low70Confident144 Ų14467.9 Ų67.977%0.7735%0.345SS*.THydrogen-bonded Turntrans-107.4-13.3-169.9-68-3.7000114.8P19 K23P19-N21 PolarHBondContact O-N 2.8Å; N21-K23 PolarHBondContact O-N 3.27Å
22K50.9Low70.1Confident186 Ų18665.2 Ų65.281%0.80934%0.335SS*.  trans-92.390.9159.7-72.1-165.2174.6-170.20108.4
23K57.4Low70.1Confident133 Ų13368.8 Ų68.858%0.57835%0.351SS*.  trans-107.30.7-163.1-116.6168.3-173.9163.40114.7K13 A20 N21K13-K23 WeakPolarHBondContact CE-O 3.32Å; K13-K23 PolarHBondContact NZ-O 2.61Å; A20-K23 VanDerWaalsContact O-CD 3.24Å; A20-K23 WeakPolarHBondContact O-CD 3.35Å; A20-K23 WeakPolarHBondContact O-CE 3.46Å; A20-K23 WeakPolarHBondContact O-CG 3.32Å; N21-K23 PolarHBondContact O-N 3.27Å
24E70.7Confident69.8Low126 Ų12671 Ų7159%0.58936%0.359SS*.  trans-77165.5-168.8-61.3177.8124.700112.4K13 N99K13-E24 WeakPolarHBondContact CD-O 3.38Å; E24-N99 PolarHBondContact OE1-ND2 2.86Å
25W81.5Confident69.7Low30 Ų3071.3 Ų71.311%0.11437%0.365CS..  trans-115.3114.1-178.3-80.299000108.2Y11 K13 P102 Q105 W120Y11-W25 HydrophobicContact CD1-CB 4.49Å; K13-W25 HydrophobicContact CB-CD2 4.16Å; K13-W25 HydrophobicContact CB-CE3 3.83Å; K13-W25 HydrophobicContact CB-CZ3 4.15Å; K13-W25 HydrophobicContact CD-CD2 4.36Å; W25-P102 HydrophobicContact CD2-CG 3.77Å; W25-P102 HydrophobicContact CE3-CG 3.9Å; W25-P102 HydrophobicContact CG-CG 4.35Å; W25-P102 HydrophobicContact CH2-CG 3.89Å; W25-P102 HydrophobicContact CZ2-CG 3.8Å; W25-P102 HydrophobicContact CZ3-CG 3.96Å; W25-Q105 HydrophobicContact CH2-CG 4.07Å; W25-Q105 HydrophobicContact CZ2-CG 4.17Å; W25-W120 HydrophobicContact CH2-CB 3.7Å; W25-W120 HydrophobicContact CZ2-CB 4.4Å; W25-W120 HydrophobicContact CZ3-CB 4.05Å
26N82.1Confident69.6Low77 Ų7774.5 Ų74.541%0.41239%0.388SS..EExtended strand (participates in β ladder)trans-83.6130.6179.4-64-28.6000109Y11 F12Y11-N26 CarbonylContact C-O 3.57Å; Y11-N26 VanDerWaalsContact CA-O 3.25Å; Y11-N26 WeakPolarHBondContact CA-O 3.49Å; F12-N26 HydrophobicContact CD1-CB 3.92Å; F12-N26 HydrophobicContact CE1-CB 3.39Å; F12-N26 HydrophobicContact CZ-CB 3.85Å; F12-N26 PolarHBondContact N-O 3.33Å; F12-N26 PolarHBondContact O-N 3.48Å
27R83.6Confident69.8Low126 Ų12682.1 Ų82.148%0.47542%0.418SS..EExtended strand (participates in β ladder)trans-74.3136.3172.2-164.3169.6176.4-119.316.4109Y11 D47Y11-R27 HydrophobicContact CD1-CB 4.09Å; Y11-R27 HydrophobicContact CD1-CG 4.33Å; Y11-R27 HydrophobicContact CE1-CB 4.06Å; Y11-R27 HydrophobicContact CE1-CG 4.02Å; R27-D47 WeakPolarHBondContact CB-OD2 3.46Å; R27-D47 WeakPolarHBondContact CD-OD2 3.41Å; R27-D47 WeakPolarHBondContact CG-OD2 3.45Å; R27-D47 IonicContact CZ-OD2 3.49Å; R27-D47 IonicContact NE-OD2 2.69Å; R27-D47 IonicContact NH1-OD1 3.82Å; R27-D47 PolarHBondContact NH1-OD1 2.97Å; R27-D47 IonicContact NH1-OD2 2.58Å; R27-D47 PolarHBondContact NH1-OD2 2.7Å
28A85.7Confident70.8Confident3 Ų384 Ų843%0.02543%0.428CS..EExtended strand (participates in β ladder)trans-156.1156.9-177.100000112.5G10 F12 L30 A43 D44G10-A28 PolarHBondContact N-O 3.24Å; G10-A28 PolarHBondContact O-N 2.93Å; G10-A28 VanDerWaalsContact O-O 3.07Å; F12-A28 HydrophobicContact CD1-CB 3.62Å; F12-A28 HydrophobicContact CE1-CB 3.92Å; A28-L30 HydrophobicContact CB-CD2 4.12Å; A28-A43 HydrophobicContact CB-CB 4.18Å; A28-D44 CarbonylContact C-O 3.55Å; A28-D44 VanDerWaalsContact CA-O 3.23Å; A28-D44 WeakPolarHBondContact CA-O 3.37Å; A28-D44 WeakPolarHBondContact CB-O 3.32Å
29V87Confident72.7Confident8 Ų880.9 Ų80.95%0.04841%0.406CS..EExtended strand (participates in β ladder)trans-83.2115.2161.61800000107.9R7 R9 V31 D44 Q46R7-V29 HydrophobicContact CG-CG1 3.86Å; R9-V29 HydrophobicContact CG-CG2 4.04Å; V29-V31 HydrophobicContact CG1-CG2 4.37Å; V29-D44 HydrophobicContact CB-CB 4.29Å; V29-D44 PolarHBondContact N-O 3.16Å; V29-D44 PolarHBondContact O-N 2.74Å; V29-Q46 HydrophobicContact CG2-CG 4.24Å
30L89.7Confident75Confident0 Ų076.7 Ų76.70%038%0.378CS..EExtended strand (participates in β ladder)trans-92.9127.1-178.9-53.6179000109.2R7 T8 F12 A28 A43 L121 F123 W132R7-L30 WeakPolarHBondContact CA-O 3.47Å; T8-L30 HydrophobicContact CG2-CB 4.49Å; T8-L30 PolarHBondContact N-O 3.43Å; T8-L30 PolarHBondContact O-N 3.14Å; F12-L30 HydrophobicContact CB-CD2 4.1Å; A28-L30 HydrophobicContact CB-CD2 4.12Å; L30-A43 HydrophobicContact CD2-CB 3.91Å; L30-L121 HydrophobicContact CD1-CD2 4.22Å; L30-L121 HydrophobicContact CD2-CD2 4.45Å; L30-F123 HydrophobicContact CD1-CE1 4.05Å; L30-F123 HydrophobicContact CD1-CZ 4.3Å; L30-W132 HydrophobicContact CB-CH2 3.62Å; L30-W132 HydrophobicContact CB-CZ2 3.82Å; L30-W132 HydrophobicContact CB-CZ3 4.39Å; L30-W132 WeakPolarHBondContact O-CZ2 3.4Å
31V89.9Confident77.1Confident21 Ų2173.7 Ų73.713%0.12735%0.354CS..EExtended strand (participates in β ladder)trans-125.9117.5177.1-166.10000110.2L6 R7 V29 H33 I41 T42L6-V31 CarbonylContact O-C 3.57Å; L6-V31 VanDerWaalsContact O-CA 3.28Å; L6-V31 WeakPolarHBondContact O-CA 3.06Å; R7-V31 HydrophobicContact CG-CG2 4.13Å; V29-V31 HydrophobicContact CG1-CG2 4.37Å; V31-H33 WeakPolarHBondContact CG1-NE2 3.24Å; V31-I41 CarbonylContact O-C 3.56Å; V31-I41 WeakPolarHBondContact O-CA 3.31Å; V31-T42 PolarHBondContact N-O 3.03Å; V31-T42 PolarHBondContact O-N 3.08Å
32L90.1Very high79.3Confident0 Ų067.7 Ų67.70%032%0.322CS..EExtended strand (participates in β ladder)trans-93.1110.9171.7173.365.3000109.1S5 L6 R34 T39 I41 L64 W132 L136 L139S5-L32 WeakPolarHBondContact CA-O 3.23Å; L6-L32 HydrophobicContact CB-CB 4.23Å; L6-L32 HydrophobicContact CD1-CD2 4.2Å; L6-L32 PolarHBondContact N-O 3.25Å; L6-L32 VanDerWaalsContact N-O 3.1Å; L6-L32 PolarHBondContact O-N 3.3Å; L32-R34 HydrophobicContact CD2-CG 4.23Å; L32-R34 HydrophobicContact CG-CG 4.11Å; L32-T39 HydrophobicContact CD1-CG2 4.22Å; L32-I41 HydrophobicContact CD1-CG1 3.95Å; L32-L64 HydrophobicContact CD1-CD1 3.35Å; L32-W132 HydrophobicContact CB-CH2 3.72Å; L32-W132 HydrophobicContact CB-CZ2 4.27Å; L32-W132 HydrophobicContact CB-CZ3 3.88Å; L32-L136 HydrophobicContact CD1-CD2 3.96Å; L32-L136 HydrophobicContact CD2-CD2 4.26Å; L32-L139 HydrophobicContact CD1-CD1 4.15Å; L32-L139 HydrophobicContact CD2-CD1 3.91Å; L32-L139 HydrophobicContact CG-CD1 4.43Å
33H86.3Confident81Confident79 Ų7958.9 Ų58.937%0.36628%0.284SS..EExtended strand (participates in β ladder)trans-92.3114.2174.9-58.9-100.6000109.6V31 D35 T39 V40 T42V31-H33 WeakPolarHBondContact CG1-NE2 3.24Å; H33-D35 PolarHBondContact O-N 2.99Å; H33-T39 WeakPolarHBondContact O-CA 3.32Å; H33-T39 WeakPolarHBondContact O-CG2 3.3Å; H33-V40 HydrophobicContact CB-CG2 3.82Å; H33-V40 PolarHBondContact N-O 3.49Å; H33-V40 PolarHBondContact O-N 3.12Å; H33-T42 PolarHBondContact CD2-OG1 3.44Å; H33-T42 VanDerWaalsContact CD2-OG1 3.3Å; H33-T42 PolarHBondContact NE2-OG1 3.47Å; H33-T42 VanDerWaalsContact NE2-OG1 3.12Å
34R80Confident82.3Confident84 Ų8453.4 Ų53.432%0.31726%0.261SS..  trans-93.359.3-176.2-61.5-172.5-167.3146.1-7113.3L4 L32 S135 L139L4-R34 HydrophobicContact CB-CB 4.06Å; L4-R34 WeakPolarHBondContact O-CB 3.29Å; L4-R34 WeakPolarHBondContact O-CD 3.31Å; L4-R34 WeakPolarHBondContact O-CG 3.4Å; L32-R34 HydrophobicContact CD2-CG 4.23Å; L32-R34 HydrophobicContact CG-CG 4.11Å; R34-S135 PolarHBondContact NH2-OG 3.45Å; R34-L139 HydrophobicContact CG-CD1 4.13Å
35D76.9Confident82.7Confident76 Ų7649.2 Ų49.241%0.40624%0.243SC..  trans-74.6135.7168.3-177.6-66.9000110.6H33 K37 N38 T39H33-D35 PolarHBondContact O-N 2.99Å; D35-K37 VanDerWaalsContact C-N 3.27Å; D35-K37 PolarHBondContact O-N 3.31Å; D35-K37 WeakPolarHBondContact OD1-CA 3.43Å; D35-K37 WeakPolarHBondContact OD1-CB 3.38Å; D35-K37 PolarHBondContact OD1-N 3.07Å; D35-N38 PolarHBondContact OD1-N 2.7Å; D35-T39 PolarHBondContact O-N 2.64Å; D35-T39 PolarHBondContact O-OG1 2.91Å
36P66.4Low81.8Confident112 Ų11252.1 Ų52.173%0.72726%0.257SS*.SBendtrans-74.4-7.3-177.231.3-37.3000115.5
37K67.9Low80.5Confident202 Ų20252.4 Ų52.488%0.87826%0.259SS*.SBendtrans-110.3-40.2171.6-63.8178.5178.51770111.8D35D35-K37 VanDerWaalsContact C-N 3.27Å; D35-K37 PolarHBondContact O-N 3.31Å; D35-K37 WeakPolarHBondContact OD1-CA 3.43Å; D35-K37 WeakPolarHBondContact OD1-CB 3.38Å; D35-K37 PolarHBondContact OD1-N 3.07Å
38N70.9Confident79Confident95 Ų9551 Ų5151%0.50826%0.264SS..  trans-131.964.4-172.6-167.821.6000113.1D35 V40D35-N38 PolarHBondContact OD1-N 2.7Å; N38-V40 PolarHBondContact O-N 3.03Å
39T83.3Confident77.2Confident27 Ų2760 Ų6017%0.16631%0.306CS..  trans-66.3121.9175.6-44.60000110.8L32 H33 D35 L64 L139L32-T39 HydrophobicContact CD1-CG2 4.22Å; H33-T39 WeakPolarHBondContact O-CA 3.32Å; H33-T39 WeakPolarHBondContact O-CG2 3.3Å; D35-T39 PolarHBondContact O-N 2.64Å; D35-T39 PolarHBondContact O-OG1 2.91Å; T39-L64 HydrophobicContact CG2-CB 4.32Å; T39-L64 HydrophobicContact CG2-CD1 3.61Å; T39-L64 WeakPolarHBondContact O-CB 3.37Å; T39-L64 PolarHBondContact O-N 3Å; T39-L139 HydrophobicContact CG2-CD1 3.91Å; T39-L139 HydrophobicContact CG2-CD2 4Å; T39-L139 HydrophobicContact CG2-CG 4.37Å
40V88Confident75Confident18 Ų1867.8 Ų67.811%0.10934%0.336CS..EExtended strand (participates in β ladder)trans-130.3154.1-179-58.50000112.5H33 N38 I61 I62 P63H33-V40 HydrophobicContact CB-CG2 3.82Å; H33-V40 PolarHBondContact N-O 3.49Å; H33-V40 PolarHBondContact O-N 3.12Å; N38-V40 PolarHBondContact O-N 3.03Å; V40-I61 HydrophobicContact CB-CG2 3.97Å; V40-I61 HydrophobicContact CG1-CG2 4.16Å; V40-I61 HydrophobicContact CG2-CG2 4.14Å; V40-I62 WeakPolarHBondContact CA-O 3.22Å; V40-P63 HydrophobicContact CG1-CB 4.34Å
41I89.5Confident73Confident1 Ų177.3 Ų77.31%0.00538%0.38CS..EExtended strand (participates in β ladder)trans-106.4125164-60.5166.8000107.8V31 L32 I62 L64 L108 L119 L121 W132 L136V31-I41 CarbonylContact O-C 3.56Å; V31-I41 WeakPolarHBondContact O-CA 3.31Å; L32-I41 HydrophobicContact CD1-CG1 3.95Å; I41-I62 PolarHBondContact N-O 2.89Å; I41-I62 PolarHBondContact O-N 3.33Å; I41-L64 HydrophobicContact CD1-CD1 4.15Å; I41-L64 HydrophobicContact CD1-CD2 3.93Å; I41-L64 HydrophobicContact CD1-CG 4.08Å; I41-L64 HydrophobicContact CG1-CD1 3.84Å; I41-L64 HydrophobicContact CG1-CD2 4.47Å; I41-L64 HydrophobicContact CG1-CG 4.07Å; I41-L108 HydrophobicContact CD1-CD1 3.97Å; I41-L119 HydrophobicContact CD1-CD2 3.87Å; I41-L121 HydrophobicContact CD1-CD1 4.31Å; I41-W132 HydrophobicContact CG1-CZ3 4.48Å; I41-W132 HydrophobicContact CG2-CZ3 4.3Å; I41-L136 HydrophobicContact CD1-CD2 3.89Å; I41-L136 HydrophobicContact CG1-CD2 4.4Å
42T87.6Confident71.1Confident17 Ų1782 Ų8210%0.10441%0.409CS..EExtended strand (participates in β ladder)trans-100.7131.3169.3-49.80000108.6V31 H33 K59 I60 I61V31-T42 PolarHBondContact N-O 3.03Å; V31-T42 PolarHBondContact O-N 3.08Å; H33-T42 PolarHBondContact CD2-OG1 3.44Å; H33-T42 VanDerWaalsContact CD2-OG1 3.3Å; H33-T42 PolarHBondContact NE2-OG1 3.47Å; H33-T42 VanDerWaalsContact NE2-OG1 3.12Å; T42-K59 HydrophobicContact CG2-CB 4.2Å; T42-K59 HydrophobicContact CG2-CG 4.35Å; T42-I60 CarbonylContact C-O 3.59Å; T42-I60 WeakPolarHBondContact CA-O 3.41Å; T42-I61 HydrophobicContact CG2-CG1 4.19Å
43A87.2Confident69Low1 Ų188.7 Ų88.71%0.00844%0.444CS..EExtended strand (participates in β ladder)trans-116114170.400000108.8F12 A28 L30 I60F12-A43 HydrophobicContact CD1-CB 3.94Å; F12-A43 HydrophobicContact CD2-CB 4.42Å; F12-A43 HydrophobicContact CE1-CB 4.2Å; F12-A43 HydrophobicContact CG-CB 4.06Å; A28-A43 HydrophobicContact CB-CB 4.18Å; L30-A43 HydrophobicContact CD2-CB 3.91Å; A43-I60 PolarHBondContact N-O 3.01Å; A43-I60 PolarHBondContact O-N 2.95Å
44D84.8Confident67.4Low18 Ų1891.5 Ų91.510%0.09646%0.462CS..EExtended strand (participates in β ladder)trans-101.3112.6-177.1-172.512.9000109.8A28 V29 Q46 T58 K59A28-D44 CarbonylContact C-O 3.55Å; A28-D44 VanDerWaalsContact CA-O 3.23Å; A28-D44 WeakPolarHBondContact CA-O 3.37Å; A28-D44 WeakPolarHBondContact CB-O 3.32Å; V29-D44 HydrophobicContact CB-CB 4.29Å; V29-D44 PolarHBondContact N-O 3.16Å; V29-D44 PolarHBondContact O-N 2.74Å; D44-Q46 HydrophobicContact CB-CG 4.42Å; D44-Q46 PolarHBondContact O-N 3.08Å; D44-Q46 VanDerWaalsContact O-N 3.17Å; D44-Q46 PolarHBondContact OD2-NE2 3.32Å; D44-T58 WeakPolarHBondContact OD1-CB 3.09Å; D44-T58 PolarHBondContact OD1-OG1 3.13Å; D44-K59 HydrophobicContact CB-CG 3.89Å; D44-K59 VanDerWaalsContact CG-CE 3.42Å; D44-K59 WeakPolarHBondContact OD1-CE 3.35Å; D44-K59 WeakPolarHBondContact OD1-CG 3.22Å; D44-K59 VanDerWaalsContact OD2-CE 3.31Å; D44-K59 WeakPolarHBondContact OD2-CE 3.35Å
45L78.8Confident66.1Low39 Ų3994.6 Ų94.620%0.20448%0.484CS..  trans-83.984-174.5-73.779.7000110F12 D47 T58 I60F12-L45 HydrophobicContact CE1-CD1 3.72Å; F12-L45 HydrophobicContact CE1-CD2 4.26Å; F12-L45 HydrophobicContact CE1-CG 3.91Å; F12-L45 HydrophobicContact CZ-CD1 3.8Å; F12-L45 HydrophobicContact CZ-CD2 4.26Å; F12-L45 HydrophobicContact CZ-CG 4.25Å; L45-D47 PolarHBondContact O-N 3.18Å; L45-T58 VanDerWaalsContact CD1-O 3.25Å; L45-T58 WeakPolarHBondContact CD1-O 3.45Å; L45-T58 PolarHBondContact N-O 2.8Å; L45-I60 HydrophobicContact CD1-CD1 4.01Å; L45-I60 HydrophobicContact CD1-CG1 4Å
46Q62.2Low64.9Low90 Ų9095.4 Ų95.442%0.42149%0.493SS..  trans-89.710.6-175-57.7-170.1-16.800114.5V29 D44V29-Q46 HydrophobicContact CG2-CG 4.24Å; D44-Q46 HydrophobicContact CB-CG 4.42Å; D44-Q46 PolarHBondContact O-N 3.08Å; D44-Q46 VanDerWaalsContact O-N 3.17Å; D44-Q46 PolarHBondContact OD2-NE2 3.32Å
47D55Low64.4Low83 Ų8395.6 Ų95.644%0.44449%0.488SS..  trans-128.430.6-169.3-69.9-57.7000113.8R27 L45R27-D47 WeakPolarHBondContact CB-OD2 3.46Å; R27-D47 WeakPolarHBondContact CD-OD2 3.41Å; R27-D47 WeakPolarHBondContact CG-OD2 3.45Å; R27-D47 IonicContact CZ-OD2 3.49Å; R27-D47 IonicContact NE-OD2 2.69Å; R27-D47 IonicContact NH1-OD1 3.82Å; R27-D47 PolarHBondContact NH1-OD1 2.97Å; R27-D47 IonicContact NH1-OD2 2.58Å; R27-D47 PolarHBondContact NH1-OD2 2.7Å; L45-D47 PolarHBondContact O-N 3.18Å
48T51.6Low64.4Low96 Ų9688.3 Ų88.359%0.58946%0.461SS*.  trans-94.3130.5163.940.70000110.3Y50T48-Y50 PolarHBondContact O-N 2.75Å
49E48.2Very low64.7Low194 Ų19488.8 Ų88.891%0.90746%0.458SS*.SBendtrans-73.134.2-170.5-57.1175.2168.300114.2
50Y40.6Very low64.6Low171 Ų17190.5 Ų90.567%0.67147%0.466SS*.  trans-131.793.9-176.1-73.7-84.5000110.6T48 T52T48-Y50 PolarHBondContact O-N 2.75Å; Y50-T52 PolarHBondContact O-N 3.21Å
51E47.7Very low64.5Low200 Ų20094.9 Ų94.994%0.93549%0.487SS*.THydrogen-bonded Turntrans-77.122.4-177.4-155.4164.1-141.100113.2
52T49.5Very low64.3Low120 Ų12094.9 Ų94.974%0.73649%0.487SS*.THydrogen-bonded Turntrans-140.716.8-162.452.80000114.6Y50Y50-T52 PolarHBondContact O-N 3.21Å
53L47.6Very low64.1Low140 Ų14096.4 Ų96.473%0.73350%0.497SS*.SBendtrans-104.4139.5168-70.8171.3000109.9
54D51Low64Low138 Ų13896.7 Ų96.774%0.73850%0.499SS*.  trans-56.8148.6-177.1-67.1-69.4000112.9P56D54-P56 VanDerWaalsContact O-CD 3.26Å; D54-P56 WeakPolarHBondContact O-CD 3.45Å
55L54Low63.8Low148 Ų148100.6 Ų100.678%0.77552%0.52SS*.THydrogen-bonded Turntrans-70-13.3-161-74.178000119
56P51.1Low63.7Low93 Ų9399.5 Ų99.560%0.60452%0.515SS*.THydrogen-bonded Turntrans-77.4-28.5-177.228.7-33.7000114.8D54 T58D54-P56 VanDerWaalsContact O-CD 3.26Å; D54-P56 WeakPolarHBondContact O-CD 3.45Å; P56-T58 VanDerWaalsContact C-N 3.34Å; P56-T58 PolarHBondContact O-N 3.21Å
57D56.7Low64.7Low117 Ų11795.5 Ų95.563%0.62650%0.496SS*.THydrogen-bonded Turntrans-80.3-4-162.3-85.52.5000115.5K59 H736D57-K59 VanDerWaalsContact C-N 3.29Å; D57-K59 PolarHBondContact O-N 3.33Å; D57-H736 IonicContact OD1-CE1 3.63Å; D57-H736 IonicContact OD2-CE1 3.93Å
58T68Low65.9Low48 Ų4896 Ų9629%0.29450%0.495SS..THydrogen-bonded Turntrans-75.1-11.3-179.869.90000114.4D44 L45 P56D44-T58 WeakPolarHBondContact OD1-CB 3.09Å; D44-T58 PolarHBondContact OD1-OG1 3.13Å; L45-T58 VanDerWaalsContact CD1-O 3.25Å; L45-T58 WeakPolarHBondContact CD1-O 3.45Å; L45-T58 PolarHBondContact N-O 2.8Å; P56-T58 VanDerWaalsContact C-N 3.34Å; P56-T58 PolarHBondContact O-N 3.21Å
59K77Confident67.5Low106 Ų10692.3 Ų92.346%0.46147%0.472SS..EExtended strand (participates in β ladder)trans-113.5108.9-164.2-74158.1-166.9151.30113.7T42 D44 D57T42-K59 HydrophobicContact CG2-CB 4.2Å; T42-K59 HydrophobicContact CG2-CG 4.35Å; D44-K59 HydrophobicContact CB-CG 3.89Å; D44-K59 VanDerWaalsContact CG-CE 3.42Å; D44-K59 WeakPolarHBondContact OD1-CE 3.35Å; D44-K59 WeakPolarHBondContact OD1-CG 3.22Å; D44-K59 VanDerWaalsContact OD2-CE 3.31Å; D44-K59 WeakPolarHBondContact OD2-CE 3.35Å; D57-K59 VanDerWaalsContact C-N 3.29Å; D57-K59 PolarHBondContact O-N 3.33Å
60I80.9Confident69.4Low62 Ų6284.1 Ų84.132%0.31844%0.436SS..EExtended strand (participates in β ladder)trans-90.4112.8174.2-56.9-176.7000109.7F12 T42 A43 L45 I62F12-I60 HydrophobicContact CE2-CD1 3.86Å; F12-I60 HydrophobicContact CZ-CD1 3.69Å; T42-I60 CarbonylContact C-O 3.59Å; T42-I60 WeakPolarHBondContact CA-O 3.41Å; A43-I60 PolarHBondContact N-O 3.01Å; A43-I60 PolarHBondContact O-N 2.95Å; L45-I60 HydrophobicContact CD1-CD1 4.01Å; L45-I60 HydrophobicContact CD1-CG1 4Å; I60-I62 HydrophobicContact CG2-CD1 4.16Å; I60-I62 HydrophobicContact CG2-CG1 3.9Å
61I84.5Confident71.6Confident110 Ų11082.7 Ų82.756%0.56443%0.429SS*.EExtended strand (participates in β ladder)trans-96.1128.6176.5-55.1174.8000109.8V40 T42V40-I61 HydrophobicContact CB-CG2 3.97Å; V40-I61 HydrophobicContact CG1-CG2 4.16Å; V40-I61 HydrophobicContact CG2-CG2 4.14Å; T42-I61 HydrophobicContact CG2-CG1 4.19Å
62I85.7Confident73.6Confident2 Ų276.3 Ų76.31%0.0140%0.398CS..EExtended strand (participates in β ladder)trans-128.9114-174.5-45.4179.2000110Y14 V40 I41 I60 F67 L119Y14-I62 HydrophobicContact CD1-CD1 4.15Å; Y14-I62 HydrophobicContact CD2-CD1 4.12Å; Y14-I62 HydrophobicContact CE1-CD1 4.48Å; Y14-I62 HydrophobicContact CE2-CD1 4.47Å; Y14-I62 HydrophobicContact CE2-CG2 4.05Å; Y14-I62 HydrophobicContact CG-CD1 3.96Å; V40-I62 WeakPolarHBondContact CA-O 3.22Å; I41-I62 PolarHBondContact N-O 2.89Å; I41-I62 PolarHBondContact O-N 3.33Å; I60-I62 HydrophobicContact CG2-CD1 4.16Å; I60-I62 HydrophobicContact CG2-CG1 3.9Å; I62-F67 HydrophobicContact CG2-CE2 3.77Å; I62-F67 HydrophobicContact CG2-CZ 3.91Å; I62-L119 HydrophobicContact CD1-CD1 3.8Å; I62-L119 HydrophobicContact CD1-CD2 3.79Å; I62-L119 HydrophobicContact CD1-CG 4.4Å; I62-L119 HydrophobicContact CG2-CD2 4.34Å
63P85.1Confident75.2Confident48 Ų4873.7 Ų73.731%0.31238%0.378SS..EExtended strand (participates in β ladder)trans-78.5130.3-176.931.8-35.6000112.5V40 N65 S66V40-P63 HydrophobicContact CG1-CB 4.34Å; P63-N65 VanDerWaalsContact C-N 3.34Å; P63-N65 PolarHBondContact O-N 3.14Å; P63-S66 PolarHBondContact O-N 3.01Å; P63-S66 PolarHBondContact O-OG 3.42Å
64L84.8Confident76.8Confident8 Ų871.8 Ų71.84%0.04237%0.367CS..G310 helixtrans-75.1-20.4-171.6-91163.9000114.5L32 T39 I41 S66 F67 L108 L136 V140L32-L64 HydrophobicContact CD1-CD1 3.35Å; T39-L64 HydrophobicContact CG2-CB 4.32Å; T39-L64 HydrophobicContact CG2-CD1 3.61Å; T39-L64 WeakPolarHBondContact O-CB 3.37Å; T39-L64 PolarHBondContact O-N 3Å; I41-L64 HydrophobicContact CD1-CD1 4.15Å; I41-L64 HydrophobicContact CD1-CD2 3.93Å; I41-L64 HydrophobicContact CD1-CG 4.08Å; I41-L64 HydrophobicContact CG1-CD1 3.84Å; I41-L64 HydrophobicContact CG1-CD2 4.47Å; I41-L64 HydrophobicContact CG1-CG 4.07Å; L64-S66 PolarHBondContact O-N 2.84Å; L64-S66 VanDerWaalsContact O-N 3.09Å; L64-F67 HydrophobicContact CD2-CD2 4.08Å; L64-F67 PolarHBondContact O-N 3.48Å; L64-F67 VanDerWaalsContact O-N 3.13Å; L64-L108 HydrophobicContact CD2-CD1 3.56Å; L64-L136 HydrophobicContact CD1-CD2 3.76Å; L64-L136 HydrophobicContact CD2-CD2 3.92Å; L64-L136 HydrophobicContact CG-CD2 4.5Å; L64-V140 HydrophobicContact CD2-CG2 4.15Å
65N80.5Confident77.8Confident99 Ų9968.5 Ų68.553%0.52935%0.352SS..G310 helixtrans-56.5-21.6174.162.46.5000113.7P63P63-N65 VanDerWaalsContact C-N 3.34Å; P63-N65 PolarHBondContact O-N 3.14Å
66S76.3Confident78Confident16 Ų1666.1 Ų66.111%0.11235%0.347CS..G310 helixtrans-79-14.8-18068.50000114.4P63 L64 S110P63-S66 PolarHBondContact O-N 3.01Å; P63-S66 PolarHBondContact O-OG 3.42Å; L64-S66 PolarHBondContact O-N 2.84Å; L64-S66 VanDerWaalsContact O-N 3.09Å; S66-S110 WeakPolarHBondContact O-CB 3.25Å
67F83.7Confident77.7Confident6 Ų664.6 Ų64.63%0.02635%0.349CS..  trans-103.4141179.8-54.8-81.2000111.6Y14 I62 L64 L108 K117 L119Y14-F67 HydrophobicContact CE2-CZ 4.19Å; I62-F67 HydrophobicContact CG2-CE2 3.77Å; I62-F67 HydrophobicContact CG2-CZ 3.91Å; L64-F67 HydrophobicContact CD2-CD2 4.08Å; L64-F67 PolarHBondContact O-N 3.48Å; L64-F67 VanDerWaalsContact O-N 3.13Å; F67-L108 HydrophobicContact CB-CB 4.14Å; F67-L108 HydrophobicContact CD1-CB 3.59Å; F67-L108 HydrophobicContact CD2-CB 4.35Å; F67-L108 HydrophobicContact CD2-CD1 4.21Å; F67-L108 HydrophobicContact CE1-CB 4.03Å; F67-L108 HydrophobicContact CG-CB 3.76Å; F67-L108 HydrophobicContact CG-CD1 4.36Å; F67-K117 HydrophobicContact CE1-CB 4.29Å; F67-L119 HydrophobicContact CE1-CB 3.8Å; F67-L119 HydrophobicContact CE2-CD2 4.45Å; F67-L119 HydrophobicContact CZ-CB 3.61Å; F67-L119 HydrophobicContact CZ-CD2 4.25Å
68K80.2Confident77Confident94 Ų9467.3 Ų67.341%0.40936%0.358SS..  trans-125.20.6-179.7-74.5177.5169.9174.30113.2S109 R111 F112K68-S109 PolarHBondContact N-O 2.88Å; K68-R111 HydrophobicContact CB-CB 3.8Å; K68-R111 HydrophobicContact CB-CG 3.78Å; K68-R111 HydrophobicContact CD-CB 3.86Å; K68-R111 HydrophobicContact CG-CB 4.46Å; K68-F112 HydrophobicContact CD-CD2 4.33Å; K68-F112 HydrophobicContact CD-CE2 4.2Å; K68-F112 VanDerWaalsContact CE-CE2 3.41Å
69V83.6Confident75.4Confident19 Ų1971.1 Ų71.112%0.11538%0.381CS..EExtended strand (participates in β ladder)trans-136.6137.1177168.90000108.9R71 L108 S109 R111V69-R71 HydrophobicContact CG1-CG 3.86Å; V69-L108 VanDerWaalsContact O-CA 3.31Å; V69-L108 WeakPolarHBondContact O-CA 2.97Å; V69-S109 PolarHBondContact N-O 2.86Å; V69-S109 PolarHBondContact O-N 3.4Å; V69-R111 HydrophobicContact CG2-CG 3.76Å
70C88.2Confident73.4Confident21 Ų2170.7 Ų70.714%0.14239%0.392CS..EExtended strand (participates in β ladder)trans-130.2123.8169.3177.20000108.7L108 Y133C70-L108 HydrophobicContact CB-CD2 3.55Å; C70-L108 VanDerWaalsContact SG-CD2 3.53Å; C70-Y133 VanDerWaalsContact SG-CD2 3.55Å
71R86.5Confident71.3Confident142 Ų14275.5 Ų75.554%0.53642%0.416SS..EExtended strand (participates in β ladder)trans-126.9131.5-179.9-69.8177.4175.6174.5-1.5110.5V69 I106 H107V69-R71 HydrophobicContact CG1-CG 3.86Å; R71-I106 WeakPolarHBondContact O-CA 3.43Å; R71-H107 PolarHBondContact N-O 3.3Å; R71-H107 PolarHBondContact O-N 2.81Å
72K89.7Confident69Low65 Ų6574.8 Ų74.828%0.28342%0.421SS..EExtended strand (participates in β ladder)trans-81.7135.6167.1-167.5-176.3-177.3-176.20108.5Q129 D130 Y133K72-Q129 HydrophobicContact CG-CG 4.34Å; K72-Q129 VanDerWaalsContact CG-NE2 3.32Å; K72-D130 WeakPolarHBondContact CE-OD1 3.28Å; K72-D130 IonicContact NZ-OD1 2.7Å; K72-D130 PolarHBondContact NZ-OD1 2.81Å; K72-D130 IonicContact NZ-OD2 2.64Å; K72-D130 PolarHBondContact NZ-OD2 2.87Å; K72-Y133 HydrophobicContact CB-CD1 4.3Å; K72-Y133 HydrophobicContact CB-CD2 3.88Å; K72-Y133 HydrophobicContact CB-CE1 4.38Å; K72-Y133 HydrophobicContact CB-CE2 3.98Å; K72-Y133 HydrophobicContact CB-CG 4.07Å; K72-Y133 HydrophobicContact CD-CD1 4.43Å
73H84.6Confident66.5Low66 Ų6681.3 Ų81.331%0.30646%0.456SS..EExtended strand (participates in β ladder)trans-131.7133.8176-75-90.6000109.1Q105 Q129H73-Q105 HydrophobicContact CB-CB 4.1Å; H73-Q105 PolarHBondContact N-O 2.82Å; H73-Q105 PolarHBondContact O-N 2.84Å; H73-Q129 PolarHBondContact O-NE2 2.82Å
74I80.7Confident64.4Low100 Ų10088.3 Ų88.351%0.51348%0.484SS..EExtended strand (participates in β ladder)trans-122.6119.4173.6-58.4174.4000106.7S76 L126I74-S76 PolarHBondContact O-N 2.96Å; I74-L126 HydrophobicContact CD1-CD1 3.86Å
75V72.8Confident62Low69 Ų6994.9 Ų94.942%0.41852%0.52SS..  trans-90.698.3179.9-176.40000108.3G77 C103V75-G77 PolarHBondContact O-N 2.89Å; V75-C103 PolarHBondContact N-O 2.88Å
76S57.2Low59.8Low97 Ų9795.2 Ų95.268%0.67853%0.529SS*.  trans-73.392174.6-1700000110.2I74 H78I74-S76 PolarHBondContact O-N 2.96Å; S76-H78 PolarHBondContact O-N 2.78Å
77G45.7Very low58.2Low62 Ų62102.8 Ų102.864%0.63956%0.563SS**  trans-78.748.2-174.500000115.1V75 T79V75-G77 PolarHBondContact O-N 2.89Å; G77-T79 PolarHBondContact O-N 3.46Å
78H40.3Very low55.9Low174 Ų174108.2 Ų108.281%0.80660%0.599SS**  trans-76.161.6173.3-86.5-75.8000112.6S76S76-H78 PolarHBondContact O-N 2.78Å
79T35.5Very low53.9Low127 Ų127111.6 Ų111.678%0.77962%0.621SS**  trans-8899.2148.945.80000107.2G77 I81G77-T79 PolarHBondContact O-N 3.46Å; T79-I81 PolarHBondContact O-N 3.08Å; T79-I81 VanDerWaalsContact O-N 3.14Å
80S34.5Very low51.7Low98 Ų98118.9 Ų118.969%0.68565%0.654SS**  trans-61.1112.5-178.150.10000111.6S82S80-S82 PolarHBondContact O-N 3.47Å
81I36.2Very low49.2Very low163 Ų163127.5 Ų127.584%0.83669%0.689SS**  trans-72.586.5154-58.8176.3000105.6T79T79-I81 PolarHBondContact O-N 3.08Å; T79-I81 VanDerWaalsContact O-N 3.14Å
82S36.6Very low46.6Very low94 Ų94129.7 Ų129.766%0.65771%0.705SS**  trans-73.8124.1172.449.60000108.9S80 E84S80-S82 PolarHBondContact O-N 3.47Å; S82-E84 PolarHBondContact O-N 3.47Å
83N34.2Very low44.1Very low140 Ų140133.3 Ų133.375%0.74973%0.733SS**  trans-56125.9-176.8-57.4-27.4000112.3
84E39.7Very low41.5Very low195 Ų195135.6 Ų135.691%0.91176%0.756SS**  trans-111.2127140.7-74.4-158.4130.300108.2S82S82-E84 PolarHBondContact O-N 3.47Å
85N34.8Very low39.1Very low146 Ų146136.2 Ų136.278%0.78177%0.769SS**  trans-84.3130179.6-60.3-53.2000109.6
86S35.2Very low37.3Very low105 Ų105137.9 Ų137.973%0.73478%0.78SS**  trans-176.5149.2131.543.80000113.7
87H41.9Very low36.5Very low175 Ų175140.2 Ų140.281%0.8179%0.789SS**  trans54.3101.1165.3-61.9-60000119.9
88P35.3Very low36.6Very low121 Ų121145.6 Ų145.679%0.78680%0.795SS**  trans-75134.9154.132.9-31.5000110.2
89N38.4Very low37.1Very low164 Ų164142.3 Ų142.388%0.87778%0.784SS**  trans-155.1150.7153.7-118.7-35.2000111.7
90Q37.7Very low38.4Very low172 Ų172139.7 Ų139.780%0.80478%0.775SS**  trans-75.5143.2-165.7-61.9164.9-27.300113.5
91K36.3Very low40.3Very low203 Ų203140.8 Ų140.888%0.88377%0.772SS**  -167.1144.9117.5-104.7160.4-174.2177.40112.6
92H31.7Very low42.4Very low187 Ų187133.5 Ų133.587%0.86674%0.735SS**  trans-74.7133.7177.6-66.4-109.4000111.1
93T36.1Very low44.5Very low142 Ų142131.8 Ų131.887%0.87172%0.722SS**  trans-144.2145.5150.339.40000109
94S30.5Very low47Very low114 Ų114125.9 Ų125.980%0.79769%0.691SS**  trans-90.3177.5-172.6-49.70000113
95S30.3Very low49.4Very low112 Ų112117.3 Ų117.378%0.78365%0.651SS**  trans81.4164166.784.10000118.5
96T34.9Very low52.1Low105 Ų105110.4 Ų110.464%0.64461%0.614SS**  trans73.673.3178.9-38.70000116.3K98T96-K98 HydrophobicContact CG2-CG 3.85Å; T96-K98 PolarHBondContact O-N 2.91Å
97V40.4Very low54.6Low145 Ų145106 Ų10688%0.87958%0.581SS**  trans-67.692.7161.2-179.60000109N99V97-N99 PolarHBondContact O-N 3.47Å
98K47.3Very low56.9Low176 Ų17697.7 Ų97.777%0.76554%0.543SS*.  trans-67.1125.7180-67.2-178.8-177.7173.60110.5T96 A100T96-K98 HydrophobicContact CG2-CG 3.85Å; T96-K98 PolarHBondContact O-N 2.91Å; K98-A100 PolarHBondContact O-N 3.33Å
99N51.9Low59.3Low105 Ų10592.8 Ų92.856%0.56151%0.511SS*.  trans-42.388.1-178.5-70.5-25000114.6E24 V97E24-N99 PolarHBondContact OE1-ND2 2.86Å; V97-N99 PolarHBondContact O-N 3.47Å
100A63Low61.3Low71 Ų7185.9 Ų85.959%0.58748%0.476SS*.PPolyproline II helixtrans-75.5124.3176.400000110K98 P102K98-A100 PolarHBondContact O-N 3.33Å; A100-P102 WeakPolarHBondContact O-CD 3.42Å
101I74.8Confident62.6Low122 Ų12286.2 Ų86.263%0.62647%0.47SS*.PPolyproline II helixtrans-72.2120.8175.6-62.4173.3000108C103I101-C103 PolarHBondContact O-N 3.45Å
102P79.6Confident63.6Low10 Ų1082.3 Ų82.37%0.06545%0.453CS..PPolyproline II helixtrans-62.8131.6179.124.7-33.4000110.4Y11 W25 A100 Q105Y11-P102 HydrophobicContact CD2-CB 3.89Å; Y11-P102 HydrophobicContact CD2-CG 4.21Å; Y11-P102 HydrophobicContact CE2-CB 4.44Å; Y11-P102 HydrophobicContact CG-CG 4.36Å; W25-P102 HydrophobicContact CD2-CG 3.77Å; W25-P102 HydrophobicContact CE3-CG 3.9Å; W25-P102 HydrophobicContact CG-CG 4.35Å; W25-P102 HydrophobicContact CH2-CG 3.89Å; W25-P102 HydrophobicContact CZ2-CG 3.8Å; W25-P102 HydrophobicContact CZ3-CG 3.96Å; A100-P102 WeakPolarHBondContact O-CD 3.42Å; P102-Q105 HydrophobicContact CG-CG 4.47Å; P102-Q105 VanDerWaalsContact O-CG 3.32Å; P102-Q105 WeakPolarHBondContact O-CG 3.45Å; P102-Q105 PolarHBondContact O-NE2 3.43Å
103C79.6Confident64.7Low58 Ų5880 Ų8039%0.39245%0.447SS..SBendtrans-72.4-37.1-17652.90000112.9V75 I101V75-C103 PolarHBondContact N-O 2.88Å; I101-C103 PolarHBondContact O-N 3.45Å
104N87.4Confident65.4Low15 Ų1581.7 Ų81.78%0.0844%0.442CS..EExtended strand (participates in β ladder)trans-98113.8-179.6-62.7-51.1000109.4G122 F123 T124 L126 Q129N104-G122 CarbonylContact O-C 3.51Å; N104-G122 WeakPolarHBondContact O-CA 3.39Å; N104-F123 HydrophobicContact CB-CB 4.34Å; N104-F123 PolarHBondContact O-N 3.46Å; N104-T124 PolarHBondContact ND2-O 3.48Å; N104-T124 VanDerWaalsContact ND2-O 3.08Å; N104-L126 PolarHBondContact ND2-N 2.85Å; N104-Q129 HydrophobicContact CB-CB 4.09Å; N104-Q129 HydrophobicContact CB-CG 4.18Å
105Q90.4Very high66.5Low16 Ų1676.8 Ų76.88%0.07541%0.41CS..EExtended strand (participates in β ladder)trans-127149.1-171.8-61.1178.813.100113.3W25 H73 P102 W120 L121 Q129W25-Q105 HydrophobicContact CH2-CG 4.07Å; W25-Q105 HydrophobicContact CZ2-CG 4.17Å; H73-Q105 HydrophobicContact CB-CB 4.1Å; H73-Q105 PolarHBondContact N-O 2.82Å; H73-Q105 PolarHBondContact O-N 2.84Å; P102-Q105 HydrophobicContact CG-CG 4.47Å; P102-Q105 VanDerWaalsContact O-CG 3.32Å; P102-Q105 WeakPolarHBondContact O-CG 3.45Å; P102-Q105 PolarHBondContact O-NE2 3.43Å; Q105-W120 HydrophobicContact CB-CE3 4.48Å; Q105-L121 CarbonylContact C-O 3.59Å; Q105-L121 VanDerWaalsContact CA-O 3.25Å; Q105-L121 WeakPolarHBondContact CA-O 3.08Å; Q105-Q129 PolarHBondContact O-NE2 3.05Å
106I90.7Very high68.2Low0 Ų076.4 Ų76.40%039%0.394CS..EExtended strand (participates in β ladder)trans-124.1128.6168.6-56.7172.8000108R71 L108 W120 L121 F123 Q129 W132 L136R71-I106 WeakPolarHBondContact O-CA 3.43Å; I106-L108 HydrophobicContact CG2-CD2 4.22Å; I106-W120 WeakPolarHBondContact O-CA 3.22Å; I106-L121 HydrophobicContact CB-CB 4.41Å; I106-L121 PolarHBondContact N-O 3.31Å; I106-L121 PolarHBondContact O-N 3.33Å; I106-F123 HydrophobicContact CB-CE2 4.35Å; I106-F123 HydrophobicContact CD1-CD2 4.43Å; I106-F123 HydrophobicContact CD1-CE2 3.53Å; I106-F123 HydrophobicContact CD1-CZ 3.99Å; I106-F123 HydrophobicContact CG1-CD2 4.46Å; I106-F123 HydrophobicContact CG1-CE2 3.78Å; I106-Q129 HydrophobicContact CD1-CG 4.27Å; I106-Q129 HydrophobicContact CG1-CG 3.9Å; I106-W132 HydrophobicContact CD1-CB 3.65Å; I106-L136 HydrophobicContact CD1-CD1 4.29Å; I106-L136 HydrophobicContact CG2-CD1 4.16Å
107H89.3Confident70.1Confident13 Ų1373 Ų736%0.0637%0.37CS..EExtended strand (participates in β ladder)trans-109.5118175.9173.1-151.3000110.1R71 S109 W120R71-H107 PolarHBondContact N-O 3.3Å; R71-H107 PolarHBondContact O-N 2.81Å; H107-S109 PolarHBondContact CE1-OG 3.05Å; H107-S109 PolarHBondContact NE2-OG 3.39Å; H107-W120 HydrophobicContact CB-CD2 3.97Å; H107-W120 HydrophobicContact CB-CE3 3.88Å; H107-W120 HydrophobicContact CB-CH2 3.84Å; H107-W120 HydrophobicContact CB-CZ2 3.91Å; H107-W120 HydrophobicContact CB-CZ3 3.83Å; H107-W120 AromaticContact CD2-CE2 3.58Å; H107-W120 AromaticContact CD2-CZ2 3.87Å; H107-W120 AromaticContact CD2-NE1 3.53Å; H107-W120 AromaticContact CE1-CZ2 3.9Å; H107-W120 AromaticContact CG-CE2 3.61Å; H107-W120 AromaticContact CG-CH2 3.91Å; H107-W120 AromaticContact CG-CZ2 3.51Å; H107-W120 AromaticContact ND1-CH2 3.93Å; H107-W120 AromaticContact ND1-CZ2 3.52Å; H107-W120 AromaticContact NE2-NE1 3.84Å
108L89.7Confident72.1Confident0 Ų069.1 Ų69.10%034%0.342CS..EExtended strand (participates in β ladder)trans-100.4134.2167.8-55.3-174000110.1I41 L64 F67 V69 C70 I106 Q118 L119 L136I41-L108 HydrophobicContact CD1-CD1 3.97Å; L64-L108 HydrophobicContact CD2-CD1 3.56Å; F67-L108 HydrophobicContact CB-CB 4.14Å; F67-L108 HydrophobicContact CD1-CB 3.59Å; F67-L108 HydrophobicContact CD2-CB 4.35Å; F67-L108 HydrophobicContact CD2-CD1 4.21Å; F67-L108 HydrophobicContact CE1-CB 4.03Å; F67-L108 HydrophobicContact CG-CB 3.76Å; F67-L108 HydrophobicContact CG-CD1 4.36Å; V69-L108 VanDerWaalsContact O-CA 3.31Å; V69-L108 WeakPolarHBondContact O-CA 2.97Å; C70-L108 HydrophobicContact CB-CD2 3.55Å; C70-L108 VanDerWaalsContact SG-CD2 3.53Å; I106-L108 HydrophobicContact CG2-CD2 4.22Å; L108-Q118 WeakPolarHBondContact O-CA 3.32Å; L108-L119 HydrophobicContact CB-CB 4.33Å; L108-L119 HydrophobicContact CD1-CD2 4.38Å; L108-L119 PolarHBondContact N-O 3.38Å; L108-L119 PolarHBondContact O-N 2.91Å; L108-L136 HydrophobicContact CD1-CD1 4.26Å; L108-L136 HydrophobicContact CD1-CD2 4.36Å; L108-L136 HydrophobicContact CD2-CB 4.43Å; L108-L136 HydrophobicContact CD2-CD1 4.32Å
109S85.8Confident74.1Confident18 Ų1860.8 Ų60.813%0.12631%0.306CS..EExtended strand (participates in β ladder)trans-138.1142.8177.522.10000112.8K68 V69 H107K68-S109 PolarHBondContact N-O 2.88Å; V69-S109 PolarHBondContact N-O 2.86Å; V69-S109 PolarHBondContact O-N 3.4Å; H107-S109 PolarHBondContact CE1-OG 3.05Å; H107-S109 PolarHBondContact NE2-OG 3.39Å
110S79.9Confident75.9Confident19 Ų1958.2 Ų58.213%0.13329%0.289CS..  trans-65.5152.8166.2172.20000111.6S66 F112 G115 K117S66-S110 WeakPolarHBondContact O-CB 3.25Å; S110-F112 PolarHBondContact OG-N 2.97Å; S110-G115 WeakPolarHBondContact CB-O 3.44Å; S110-G115 PolarHBondContact OG-O 3.28Å; S110-K117 PolarHBondContact N-O 2.76Å
111R64.7Low77.3Confident180 Ų18054.9 Ų54.968%0.67926%0.261SS*.  trans-118.928.2165.5-65.5-173177.9-162.91.6112K68 V69K68-R111 HydrophobicContact CB-CB 3.8Å; K68-R111 HydrophobicContact CB-CG 3.78Å; K68-R111 HydrophobicContact CD-CB 3.86Å; K68-R111 HydrophobicContact CG-CB 4.46Å; V69-R111 HydrophobicContact CG2-CG 3.76Å
112F58Low78Confident120 Ų12049 Ų4953%0.52623%0.231SC..  trans-93.3137.7169.7-75.4-77.1000110.2K68 S110 F114 G115K68-F112 HydrophobicContact CD-CD2 4.33Å; K68-F112 HydrophobicContact CD-CE2 4.2Å; K68-F112 VanDerWaalsContact CE-CE2 3.41Å; S110-F112 PolarHBondContact OG-N 2.97Å; F112-F114 PolarHBondContact O-N 3.25Å; F112-G115 PolarHBondContact O-N 3.42Å
113L54.2Low78.6Confident140 Ų14048.6 Ų48.673%0.73323%0.228SC*.THydrogen-bonded Turntrans-60.9-14.6-178.9-64.2167.8000113.5
114F50.4Low78.8Confident176 Ų17650.5 Ų50.577%0.77224%0.238SC*.THydrogen-bonded Turntrans-126.128.8-172.1-47.8-65.7000113.3F112F112-F114 PolarHBondContact O-N 3.25Å
115G55Low78.8Confident11 Ų1151.9 Ų51.911%0.11325%0.249CC..  trans-174.191.1168.300000114.2S110 F112 K117 H317S110-G115 WeakPolarHBondContact CB-O 3.44Å; S110-G115 PolarHBondContact OG-O 3.28Å; F112-G115 PolarHBondContact O-N 3.42Å; G115-K117 PolarHBondContact O-N 3.16Å; G115-H317 WeakPolarHBondContact CA-ND1 3.46Å; G115-H317 PolarHBondContact N-CE1 2.9Å; G115-H317 PolarHBondContact N-ND1 2.81Å
116K65Low78.7Confident104 Ų10455.2 Ų55.245%0.45227%0.267SS..  trans-75.152.3174.2-90.4179.8173.4162.80113.1Q118 E315 H317K116-Q118 PolarHBondContact O-N 3.04Å; K116-Q118 VanDerWaalsContact O-N 3.14Å; K116-E315 VanDerWaalsContact CD-OE1 3.28Å; K116-E315 WeakPolarHBondContact CD-OE1 3.18Å; K116-E315 WeakPolarHBondContact CE-OE1 3.41Å; K116-E315 IonicContact NZ-OE1 2.63Å; K116-E315 PolarHBondContact NZ-OE1 2.85Å; K116-E315 IonicContact NZ-OE2 2.71Å; K116-E315 PolarHBondContact NZ-OE2 3.1Å; K116-H317 PolarHBondContact N-CE1 3.5Å; K116-H317 VanDerWaalsContact N-CE1 3.27Å; K116-H317 PolarHBondContact N-ND1 2.89Å
117K75Confident78.5Confident35 Ų3562.2 Ų62.215%0.15230%0.297CS..  trans-58114.4166.9-60-179.8-176174.40108.1T16 F67 S110 G115 E320T16-K117 HydrophobicContact CG2-CG 4.42Å; F67-K117 HydrophobicContact CE1-CB 4.29Å; S110-K117 PolarHBondContact N-O 2.76Å; G115-K117 PolarHBondContact O-N 3.16Å; K117-E320 IonicContact NZ-OE2 2.71Å; K117-E320 PolarHBondContact NZ-OE2 3.11Å
118Q83.1Confident78.5Confident63 Ų6363.5 Ų63.529%0.29431%0.305SS..EExtended strand (participates in β ladder)trans-115.7128.4171.2-68.7-170.511.400109.5Y14 L15 L108 K116Y14-Q118 WeakPolarHBondContact CD2-O 3.45Å; L15-Q118 HydrophobicContact CB-CB 4.29Å; L15-Q118 PolarHBondContact N-O 3.35Å; L15-Q118 PolarHBondContact O-N 3.4Å; L15-Q118 VanDerWaalsContact O-N 3.11Å; L108-Q118 WeakPolarHBondContact O-CA 3.32Å; K116-Q118 PolarHBondContact O-N 3.04Å; K116-Q118 VanDerWaalsContact O-N 3.14Å
119L88.4Confident78.5Confident1 Ų163.5 Ų63.51%0.00531%0.305CS..EExtended strand (participates in β ladder)trans-117.2121.1170.1176.260.2000108.8Y14 I41 I62 F67 L108 L121Y14-L119 HydrophobicContact CD2-CB 4.07Å; Y14-L119 HydrophobicContact CD2-CD1 4.14Å; Y14-L119 HydrophobicContact CG-CD1 4.42Å; I41-L119 HydrophobicContact CD1-CD2 3.87Å; I62-L119 HydrophobicContact CD1-CD1 3.8Å; I62-L119 HydrophobicContact CD1-CD2 3.79Å; I62-L119 HydrophobicContact CD1-CG 4.4Å; I62-L119 HydrophobicContact CG2-CD2 4.34Å; F67-L119 HydrophobicContact CE1-CB 3.8Å; F67-L119 HydrophobicContact CE2-CD2 4.45Å; F67-L119 HydrophobicContact CZ-CB 3.61Å; F67-L119 HydrophobicContact CZ-CD2 4.25Å; L108-L119 HydrophobicContact CB-CB 4.33Å; L108-L119 HydrophobicContact CD1-CD2 4.38Å; L108-L119 PolarHBondContact N-O 3.38Å; L108-L119 PolarHBondContact O-N 2.91Å; L119-L121 HydrophobicContact CD1-CD2 3.98Å; L119-L121 HydrophobicContact CD2-CD2 4.08Å; L119-L121 HydrophobicContact CG-CD2 3.93Å; L119-L121 HydrophobicContact CG-CG 4.32Å
120W89.6Confident78.7Confident50 Ų5065.4 Ų65.419%0.18931%0.314CS..EExtended strand (participates in β ladder)trans-104.4124.9171.5-69.179.3000108.5F12 K13 W25 Q105 I106 H107F12-W120 CarbonylContact C-O 3.59Å; F12-W120 WeakPolarHBondContact CA-O 3.27Å; K13-W120 HydrophobicContact CB-CB 4.18Å; K13-W120 PolarHBondContact N-O 3.06Å; K13-W120 PolarHBondContact O-N 3.22Å; W25-W120 HydrophobicContact CH2-CB 3.7Å; W25-W120 HydrophobicContact CZ2-CB 4.4Å; W25-W120 HydrophobicContact CZ3-CB 4.05Å; Q105-W120 HydrophobicContact CB-CE3 4.48Å; I106-W120 WeakPolarHBondContact O-CA 3.22Å; H107-W120 HydrophobicContact CB-CD2 3.97Å; H107-W120 HydrophobicContact CB-CE3 3.88Å; H107-W120 HydrophobicContact CB-CH2 3.84Å; H107-W120 HydrophobicContact CB-CZ2 3.91Å; H107-W120 HydrophobicContact CB-CZ3 3.83Å; H107-W120 AromaticContact CD2-CE2 3.58Å; H107-W120 AromaticContact CD2-CZ2 3.87Å; H107-W120 AromaticContact CD2-NE1 3.53Å; H107-W120 AromaticContact CE1-CZ2 3.9Å; H107-W120 AromaticContact CG-CE2 3.61Å; H107-W120 AromaticContact CG-CH2 3.91Å; H107-W120 AromaticContact CG-CZ2 3.51Å; H107-W120 AromaticContact ND1-CH2 3.93Å; H107-W120 AromaticContact ND1-CZ2 3.52Å; H107-W120 AromaticContact NE2-NE1 3.84Å
121L92Very high79.2Confident1 Ų167.4 Ų67.41%0.00532%0.322CS..EExtended strand (participates in β ladder)trans-108.7139.9171.3-54.6178.6000108.2Y11 F12 L30 I41 Q105 I106 L119 F123 W132 L136Y11-L121 CarbonylContact O-C 3.55Å; F12-L121 HydrophobicContact CB-CD2 4.14Å; L30-L121 HydrophobicContact CD1-CD2 4.22Å; L30-L121 HydrophobicContact CD2-CD2 4.45Å; I41-L121 HydrophobicContact CD1-CD1 4.31Å; Q105-L121 CarbonylContact C-O 3.59Å; Q105-L121 VanDerWaalsContact CA-O 3.25Å; Q105-L121 WeakPolarHBondContact CA-O 3.08Å; I106-L121 HydrophobicContact CB-CB 4.41Å; I106-L121 PolarHBondContact N-O 3.31Å; I106-L121 PolarHBondContact O-N 3.33Å; L119-L121 HydrophobicContact CD1-CD2 3.98Å; L119-L121 HydrophobicContact CD2-CD2 4.08Å; L119-L121 HydrophobicContact CG-CD2 3.93Å; L119-L121 HydrophobicContact CG-CG 4.32Å; L121-F123 HydrophobicContact CB-CE2 3.68Å; L121-F123 HydrophobicContact CB-CZ 3.8Å; L121-F123 HydrophobicContact CD1-CZ 4.25Å; L121-W132 HydrophobicContact CD1-CE3 3.88Å; L121-W132 HydrophobicContact CD1-CZ3 4.03Å; L121-L136 HydrophobicContact CD1-CD1 3.85Å
122G90.9Very high80.4Confident0 Ų059 Ų590%029%0.291CS..EExtended strand (participates in β ladder)trans-128.6136.1-177.800000110.9G10 Y11 N104G10-G122 CarbonylContact C-O 3.59Å; G10-G122 WeakPolarHBondContact CA-O 3.49Å; Y11-G122 PolarHBondContact N-O 3.48Å; Y11-G122 PolarHBondContact O-N 3.34Å; N104-G122 CarbonylContact O-C 3.51Å; N104-G122 WeakPolarHBondContact O-CA 3.39Å
123F90.4Very high82Confident1 Ų155.4 Ų55.40%0.00427%0.274CS..EExtended strand (participates in β ladder)trans-127.9147.7-174.7-53.6-89.5000109.2T8 L30 N104 I106 L121 D128 Q129 W132T8-F123 HydrophobicContact CG2-CD1 4.03Å; T8-F123 HydrophobicContact CG2-CE1 3.79Å; L30-F123 HydrophobicContact CD1-CE1 4.05Å; L30-F123 HydrophobicContact CD1-CZ 4.3Å; N104-F123 HydrophobicContact CB-CB 4.34Å; N104-F123 PolarHBondContact O-N 3.46Å; I106-F123 HydrophobicContact CB-CE2 4.35Å; I106-F123 HydrophobicContact CD1-CD2 4.43Å; I106-F123 HydrophobicContact CD1-CE2 3.53Å; I106-F123 HydrophobicContact CD1-CZ 3.99Å; I106-F123 HydrophobicContact CG1-CD2 4.46Å; I106-F123 HydrophobicContact CG1-CE2 3.78Å; L121-F123 HydrophobicContact CB-CE2 3.68Å; L121-F123 HydrophobicContact CB-CZ 3.8Å; L121-F123 HydrophobicContact CD1-CZ 4.25Å; F123-D128 HydrophobicContact CB-CB 4.25Å; F123-D128 HydrophobicContact CD1-CB 3.76Å; F123-D128 HydrophobicContact CG-CB 4.25Å; F123-Q129 HydrophobicContact CB-CB 4.4Å; F123-Q129 HydrophobicContact CD2-CB 4.07Å; F123-Q129 HydrophobicContact CD2-CG 4.12Å; F123-Q129 HydrophobicContact CG-CB 4.36Å; F123-W132 HydrophobicContact CE1-CB 4.21Å; F123-W132 AromaticContact CE1-CD1 3.86Å; F123-W132 AromaticContact CE1-CD2 4Å; F123-W132 HydrophobicContact CE1-CD2 4Å; F123-W132 AromaticContact CE1-CG 3.76Å; F123-W132 HydrophobicContact CE1-CG 3.76Å; F123-W132 HydrophobicContact CZ-CB 3.82Å; F123-W132 AromaticContact CZ-CD2 3.97Å; F123-W132 HydrophobicContact CZ-CD2 3.97Å; F123-W132 HydrophobicContact CZ-CE3 4.26Å; F123-W132 AromaticContact CZ-CG 3.76Å; F123-W132 HydrophobicContact CZ-CG 3.76Å
124T85.7Confident83.6Confident97 Ų9751.8 Ų51.860%0.59526%0.26SS*.SBendtrans-76-47.4169.448.50000110Y11 N104Y11-T124 HydrophobicContact CE2-CG2 4.25Å; N104-T124 PolarHBondContact ND2-O 3.48Å; N104-T124 VanDerWaalsContact ND2-O 3.08Å
125S86.3Confident85.4Confident44 Ų4444 Ų4431%0.30823%0.228SC..  trans-85144.9179.7-1690000113.4F127 D128 Q129S125-F127 VanDerWaalsContact C-N 3.3Å; S125-F127 WeakPolarHBondContact OG-CB 3.44Å; S125-F127 PolarHBondContact OG-N 2.71Å; S125-F127 VanDerWaalsContact OG-N 3.16Å; S125-D128 WeakPolarHBondContact CB-OD2 3.21Å; S125-Q129 PolarHBondContact O-N 2.63Å
126L87.6Confident87Confident86 Ų8643.5 Ų43.545%0.4522%0.222SC..Hα-helixtrans-67.3-33.9166.8-17077.3000111.2I74 N104 Q129 D130I74-L126 HydrophobicContact CD1-CD1 3.86Å; N104-L126 PolarHBondContact ND2-N 2.85Å; L126-Q129 WeakPolarHBondContact O-CB 3.3Å; L126-Q129 PolarHBondContact O-N 2.78Å; L126-D130 PolarHBondContact O-N 3.41Å
127F87.1Confident88.1Confident147 Ų14743.2 Ų43.265%0.64522%0.221SC*.Hα-helixtrans-65.5-47.4-177.4-178.7-105.3000111.9S125 Q129 D130 I131S125-F127 VanDerWaalsContact C-N 3.3Å; S125-F127 WeakPolarHBondContact OG-CB 3.44Å; S125-F127 PolarHBondContact OG-N 2.71Å; S125-F127 VanDerWaalsContact OG-N 3.16Å; F127-Q129 VanDerWaalsContact C-N 3.31Å; F127-Q129 PolarHBondContact O-N 3.39Å; F127-D130 PolarHBondContact O-N 3.05Å; F127-I131 HydrophobicContact CD1-CD1 3.81Å; F127-I131 HydrophobicContact CD2-CD1 4.42Å; F127-I131 HydrophobicContact CE1-CD1 3.41Å; F127-I131 VanDerWaalsContact CE1-CD1 3.41Å; F127-I131 HydrophobicContact CE2-CD1 4.07Å; F127-I131 HydrophobicContact CG-CD1 4.31Å; F127-I131 HydrophobicContact CZ-CD1 3.57Å; F127-I131 WeakPolarHBondContact O-CG1 3.33Å; F127-I131 PolarHBondContact O-N 3.02Å
128D88.9Confident88.5Confident40 Ų4044.5 Ų44.521%0.21423%0.232CC..Hα-helixtrans-56.2-46.2171-74.7-83.3000111.4T8 F123 S125 D130 I131 W132T8-D128 VanDerWaalsContact CB-OD1 3.27Å; T8-D128 WeakPolarHBondContact CB-OD1 3.44Å; T8-D128 PolarHBondContact OG1-OD1 3.49Å; F123-D128 HydrophobicContact CB-CB 4.25Å; F123-D128 HydrophobicContact CD1-CB 3.76Å; F123-D128 HydrophobicContact CG-CB 4.25Å; S125-D128 WeakPolarHBondContact CB-OD2 3.21Å; D128-D130 VanDerWaalsContact C-N 3.35Å; D128-D130 PolarHBondContact O-N 2.98Å; D128-I131 PolarHBondContact O-N 2.94Å; D128-W132 WeakPolarHBondContact O-CB 3.14Å; D128-W132 VanDerWaalsContact O-CD1 3.26Å; D128-W132 PolarHBondContact O-N 2.83Å
129Q91.4Very high88.6Confident0 Ų043.6 Ų43.60%023%0.229CC..Hα-helixtrans-59.5-41.9179.4-167.5-161.423.800112.1K72 H73 N104 Q105 I106 F123 S125 L126 F127 Y133K72-Q129 HydrophobicContact CG-CG 4.34Å; K72-Q129 VanDerWaalsContact CG-NE2 3.32Å; H73-Q129 PolarHBondContact O-NE2 2.82Å; N104-Q129 HydrophobicContact CB-CB 4.09Å; N104-Q129 HydrophobicContact CB-CG 4.18Å; Q105-Q129 PolarHBondContact O-NE2 3.05Å; I106-Q129 HydrophobicContact CD1-CG 4.27Å; I106-Q129 HydrophobicContact CG1-CG 3.9Å; F123-Q129 HydrophobicContact CB-CB 4.4Å; F123-Q129 HydrophobicContact CD2-CB 4.07Å; F123-Q129 HydrophobicContact CD2-CG 4.12Å; F123-Q129 HydrophobicContact CG-CB 4.36Å; S125-Q129 PolarHBondContact O-N 2.63Å; L126-Q129 WeakPolarHBondContact O-CB 3.3Å; L126-Q129 PolarHBondContact O-N 2.78Å; F127-Q129 VanDerWaalsContact C-N 3.31Å; F127-Q129 PolarHBondContact O-N 3.39Å; Q129-Y133 WeakPolarHBondContact O-CB 3.22Å; Q129-Y133 PolarHBondContact O-N 3.13Å
130D88.7Confident88.3Confident59 Ų5944.5 Ų44.532%0.31623%0.234SC..Hα-helixtrans-74.7-36.4-179.7-85.2-53.8000113.5K72 L126 F127 D128 S134K72-D130 WeakPolarHBondContact CE-OD1 3.28Å; K72-D130 IonicContact NZ-OD1 2.7Å; K72-D130 PolarHBondContact NZ-OD1 2.81Å; K72-D130 IonicContact NZ-OD2 2.64Å; K72-D130 PolarHBondContact NZ-OD2 2.87Å; L126-D130 PolarHBondContact O-N 3.41Å; F127-D130 PolarHBondContact O-N 3.05Å; D128-D130 VanDerWaalsContact C-N 3.35Å; D128-D130 PolarHBondContact O-N 2.98Å; D130-S134 VanDerWaalsContact O-CB 3.24Å; D130-S134 WeakPolarHBondContact O-CB 3.15Å; D130-S134 PolarHBondContact O-N 2.82Å; D130-S134 PolarHBondContact O-OG 3.2Å
131I89.9Confident87.6Confident61 Ų6146 Ų4631%0.31325%0.249SC..Hα-helixtrans-63.6-46.4172.7-70.6174.2000110.6L6 F127 D128 S135L6-I131 HydrophobicContact CD1-CG2 3.66Å; L6-I131 HydrophobicContact CD2-CG2 4.05Å; F127-I131 HydrophobicContact CD1-CD1 3.81Å; F127-I131 HydrophobicContact CD2-CD1 4.42Å; F127-I131 HydrophobicContact CE1-CD1 3.41Å; F127-I131 VanDerWaalsContact CE1-CD1 3.41Å; F127-I131 HydrophobicContact CE2-CD1 4.07Å; F127-I131 HydrophobicContact CG-CD1 4.31Å; F127-I131 HydrophobicContact CZ-CD1 3.57Å; F127-I131 WeakPolarHBondContact O-CG1 3.33Å; F127-I131 PolarHBondContact O-N 3.02Å; D128-I131 PolarHBondContact O-N 2.94Å; I131-S135 WeakPolarHBondContact O-CB 3.32Å; I131-S135 PolarHBondContact O-N 3.09Å; I131-S135 VanDerWaalsContact O-N 3.11Å; I131-S135 PolarHBondContact O-OG 3.42Å
132W91.4Very high86.3Confident4 Ų452.9 Ų52.92%0.01528%0.279CS..Hα-helixtrans-67.2-44.5176.9-84.374000111.9L6 T8 L30 L32 I41 I106 L121 F123 D128 S134 S135 L136L6-W132 HydrophobicContact CB-CZ2 4.24Å; L6-W132 WeakPolarHBondContact O-CZ2 3.24Å; T8-W132 HydrophobicContact CG2-CZ2 4.07Å; T8-W132 VanDerWaalsContact CG2-NE1 3.32Å; L30-W132 HydrophobicContact CB-CH2 3.62Å; L30-W132 HydrophobicContact CB-CZ2 3.82Å; L30-W132 HydrophobicContact CB-CZ3 4.39Å; L30-W132 WeakPolarHBondContact O-CZ2 3.4Å; L32-W132 HydrophobicContact CB-CH2 3.72Å; L32-W132 HydrophobicContact CB-CZ2 4.27Å; L32-W132 HydrophobicContact CB-CZ3 3.88Å; I41-W132 HydrophobicContact CG1-CZ3 4.48Å; I41-W132 HydrophobicContact CG2-CZ3 4.3Å; I106-W132 HydrophobicContact CD1-CB 3.65Å; L121-W132 HydrophobicContact CD1-CE3 3.88Å; L121-W132 HydrophobicContact CD1-CZ3 4.03Å; F123-W132 HydrophobicContact CE1-CB 4.21Å; F123-W132 AromaticContact CE1-CD1 3.86Å; F123-W132 AromaticContact CE1-CD2 4Å; F123-W132 HydrophobicContact CE1-CD2 4Å; F123-W132 AromaticContact CE1-CG 3.76Å; F123-W132 HydrophobicContact CE1-CG 3.76Å; F123-W132 HydrophobicContact CZ-CB 3.82Å; F123-W132 AromaticContact CZ-CD2 3.97Å; F123-W132 HydrophobicContact CZ-CD2 3.97Å; F123-W132 HydrophobicContact CZ-CE3 4.26Å; F123-W132 AromaticContact CZ-CG 3.76Å; F123-W132 HydrophobicContact CZ-CG 3.76Å; D128-W132 WeakPolarHBondContact O-CB 3.14Å; D128-W132 VanDerWaalsContact O-CD1 3.26Å; D128-W132 PolarHBondContact O-N 2.83Å; W132-S134 PolarHBondContact O-N 2.81Å; W132-S135 PolarHBondContact O-N 3.34Å; W132-L136 HydrophobicContact CE3-CD1 4.06Å; W132-L136 HydrophobicContact CE3-CG 4.45Å; W132-L136 VanDerWaalsContact O-CB 3.31Å; W132-L136 WeakPolarHBondContact O-CB 3.49Å; W132-L136 VanDerWaalsContact O-CG 3.22Å; W132-L136 WeakPolarHBondContact O-CG 3.11Å; W132-L136 PolarHBondContact O-N 2.61Å
133Y91.2Very high84.7Confident43 Ų4359.7 Ų59.717%0.16931%0.311CS..Hα-helixtrans-61.6-45.8179176.9-111000111.6C70 K72 Q129 S135 L136 K137C70-Y133 VanDerWaalsContact SG-CD2 3.55Å; K72-Y133 HydrophobicContact CB-CD1 4.3Å; K72-Y133 HydrophobicContact CB-CD2 3.88Å; K72-Y133 HydrophobicContact CB-CE1 4.38Å; K72-Y133 HydrophobicContact CB-CE2 3.98Å; K72-Y133 HydrophobicContact CB-CG 4.07Å; K72-Y133 HydrophobicContact CD-CD1 4.43Å; Q129-Y133 WeakPolarHBondContact O-CB 3.22Å; Q129-Y133 PolarHBondContact O-N 3.13Å; Y133-S135 VanDerWaalsContact C-N 3.33Å; Y133-S135 PolarHBondContact O-N 2.86Å; Y133-L136 PolarHBondContact O-N 2.76Å; Y133-K137 HydrophobicContact CE1-CD 3.9Å; Y133-K137 HydrophobicContact CE2-CD 4.45Å; Y133-K137 WeakPolarHBondContact O-CB 3.36Å; Y133-K137 PolarHBondContact O-N 3.28Å; Y133-K137 WeakPolarHBondContact OH-CE 3.35Å; Y133-K137 PolarHBondContact OH-NZ 2.78Å
134S87.2Confident82.8Confident65 Ų6570.3 Ų70.346%0.45535%0.351SS..Hα-helixtrans-61.4-41.5177.8-58.40000111.9D130 W132 T138D130-S134 VanDerWaalsContact O-CB 3.24Å; D130-S134 WeakPolarHBondContact O-CB 3.15Å; D130-S134 PolarHBondContact O-N 2.82Å; D130-S134 PolarHBondContact O-OG 3.2Å; W132-S134 PolarHBondContact O-N 2.81Å; S134-T138 WeakPolarHBondContact O-CB 3.42Å; S134-T138 PolarHBondContact O-N 3.08Å; S134-T138 PolarHBondContact O-OG1 3.07Å
135S88.4Confident81.2Confident13 Ų1371.9 Ų71.99%0.09136%0.355CS..Hα-helixtrans-65.2-55.3176.4-59.70000112.1L6 R34 I131 W132 Y133 K137 T138 L139L6-S135 WeakPolarHBondContact CD1-OG 3.48Å; R34-S135 PolarHBondContact NH2-OG 3.45Å; I131-S135 WeakPolarHBondContact O-CB 3.32Å; I131-S135 PolarHBondContact O-N 3.09Å; I131-S135 VanDerWaalsContact O-N 3.11Å; I131-S135 PolarHBondContact O-OG 3.42Å; W132-S135 PolarHBondContact O-N 3.34Å; Y133-S135 VanDerWaalsContact C-N 3.33Å; Y133-S135 PolarHBondContact O-N 2.86Å; S135-K137 PolarHBondContact O-N 3.1Å; S135-T138 PolarHBondContact O-N 3.49Å; S135-L139 WeakPolarHBondContact O-CD1 3.39Å; S135-L139 WeakPolarHBondContact O-CG 3.25Å; S135-L139 PolarHBondContact O-N 3.12Å
136L89.5Confident79.4Confident0 Ų077.5 Ų77.50%037%0.374CS..Hα-helixtrans-63.9-41.2-177-68.7174.6000111.9L32 I41 L64 I106 L108 L121 W132 Y133 T138 L139 V140L32-L136 HydrophobicContact CD1-CD2 3.96Å; L32-L136 HydrophobicContact CD2-CD2 4.26Å; I41-L136 HydrophobicContact CD1-CD2 3.89Å; I41-L136 HydrophobicContact CG1-CD2 4.4Å; L64-L136 HydrophobicContact CD1-CD2 3.76Å; L64-L136 HydrophobicContact CD2-CD2 3.92Å; L64-L136 HydrophobicContact CG-CD2 4.5Å; I106-L136 HydrophobicContact CD1-CD1 4.29Å; I106-L136 HydrophobicContact CG2-CD1 4.16Å; L108-L136 HydrophobicContact CD1-CD1 4.26Å; L108-L136 HydrophobicContact CD1-CD2 4.36Å; L108-L136 HydrophobicContact CD2-CB 4.43Å; L108-L136 HydrophobicContact CD2-CD1 4.32Å; L121-L136 HydrophobicContact CD1-CD1 3.85Å; W132-L136 HydrophobicContact CE3-CD1 4.06Å; W132-L136 HydrophobicContact CE3-CG 4.45Å; W132-L136 VanDerWaalsContact O-CB 3.31Å; W132-L136 WeakPolarHBondContact O-CB 3.49Å; W132-L136 VanDerWaalsContact O-CG 3.22Å; W132-L136 WeakPolarHBondContact O-CG 3.11Å; W132-L136 PolarHBondContact O-N 2.61Å; Y133-L136 PolarHBondContact O-N 2.76Å; L136-T138 VanDerWaalsContact C-N 3.33Å; L136-T138 PolarHBondContact O-N 3.35Å; L136-L139 PolarHBondContact O-N 2.71Å; L136-V140 WeakPolarHBondContact O-CB 3.39Å; L136-V140 VanDerWaalsContact O-CG2 3.3Å; L136-V140 WeakPolarHBondContact O-CG2 3.5Å; L136-V140 PolarHBondContact O-N 2.58Å
137K86.8Confident77.4Confident97 Ų9783 Ų8342%0.42240%0.395SS..Hα-helixtrans-57.8-46.7174.5-174.4-179.2-167.7165.40110.8Y133 S135 L139 T141Y133-K137 HydrophobicContact CE1-CD 3.9Å; Y133-K137 HydrophobicContact CE2-CD 4.45Å; Y133-K137 WeakPolarHBondContact O-CB 3.36Å; Y133-K137 PolarHBondContact O-N 3.28Å; Y133-K137 WeakPolarHBondContact OH-CE 3.35Å; Y133-K137 PolarHBondContact OH-NZ 2.78Å; S135-K137 PolarHBondContact O-N 3.1Å; K137-L139 PolarHBondContact O-N 2.84Å; K137-T141 WeakPolarHBondContact O-CB 3.38Å; K137-T141 VanDerWaalsContact O-CG2 3.32Å; K137-T141 WeakPolarHBondContact O-CG2 3.41Å; K137-T141 PolarHBondContact O-N 2.79Å; K137-T141 PolarHBondContact O-OG1 3.38Å
138T84.7Confident75Confident63 Ų6383.3 Ų83.339%0.38740%0.403SS..Hα-helixtrans-63.4-40.5179.5-58.90000112.4S134 S135 L136 K142S134-T138 WeakPolarHBondContact O-CB 3.42Å; S134-T138 PolarHBondContact O-N 3.08Å; S134-T138 PolarHBondContact O-OG1 3.07Å; S135-T138 PolarHBondContact O-N 3.49Å; L136-T138 VanDerWaalsContact C-N 3.33Å; L136-T138 PolarHBondContact O-N 3.35Å; T138-K142 HydrophobicContact CG2-CD 3.92Å; T138-K142 HydrophobicContact CG2-CG 4.47Å; T138-K142 VanDerWaalsContact O-CB 3.29Å; T138-K142 WeakPolarHBondContact O-CB 3.39Å; T138-K142 VanDerWaalsContact O-CG 3.23Å; T138-K142 WeakPolarHBondContact O-CG 3.28Å; T138-K142 PolarHBondContact O-N 3.06Å
139L84.5Confident72.5Confident43 Ų4386.8 Ų86.823%0.22543%0.426CS..Hα-helixtrans-72-46.7-179.5-67.6158.3000111.6L32 R34 T39 S135 L136 K137 T141L32-L139 HydrophobicContact CD1-CD1 4.15Å; L32-L139 HydrophobicContact CD2-CD1 3.91Å; L32-L139 HydrophobicContact CG-CD1 4.43Å; R34-L139 HydrophobicContact CG-CD1 4.13Å; T39-L139 HydrophobicContact CG2-CD1 3.91Å; T39-L139 HydrophobicContact CG2-CD2 4Å; T39-L139 HydrophobicContact CG2-CG 4.37Å; S135-L139 WeakPolarHBondContact O-CD1 3.39Å; S135-L139 WeakPolarHBondContact O-CG 3.25Å; S135-L139 PolarHBondContact O-N 3.12Å; L136-L139 PolarHBondContact O-N 2.71Å; K137-L139 PolarHBondContact O-N 2.84Å; L139-T141 PolarHBondContact O-N 3.31Å
140V82.8Confident69.8Low20 Ų2094.5 Ų94.512%0.12147%0.466CS..Hα-helixtrans-67.2-33.3-179.9170.90000112.4L64 L136L64-V140 HydrophobicContact CD2-CG2 4.15Å; L136-V140 WeakPolarHBondContact O-CB 3.39Å; L136-V140 VanDerWaalsContact O-CG2 3.3Å; L136-V140 WeakPolarHBondContact O-CG2 3.5Å; L136-V140 PolarHBondContact O-N 2.58Å
141T73.6Confident67.3Low81 Ų8198.7 Ų98.750%0.49749%0.488SS..Hα-helixtrans-84.1-34.7178.860.70000114K137 L139 H143 R144K137-T141 WeakPolarHBondContact O-CB 3.38Å; K137-T141 VanDerWaalsContact O-CG2 3.32Å; K137-T141 WeakPolarHBondContact O-CG2 3.41Å; K137-T141 PolarHBondContact O-N 2.79Å; K137-T141 PolarHBondContact O-OG1 3.38Å; L139-T141 PolarHBondContact O-N 3.31Å; T141-H143 PolarHBondContact O-N 3.36Å; T141-H143 VanDerWaalsContact O-N 3.12Å; T141-R144 WeakPolarHBondContact O-CB 3.32Å; T141-R144 PolarHBondContact O-N 3.27Å
142K64.7Low64.7Low147 Ų14798.7 Ų98.764%0.63950%0.504SS*.Hα-helixtrans-60.1-25-177.8-85.4-179.1176.3-177.90113.8T138 R144 N145T138-K142 HydrophobicContact CG2-CD 3.92Å; T138-K142 HydrophobicContact CG2-CG 4.47Å; T138-K142 VanDerWaalsContact O-CB 3.29Å; T138-K142 WeakPolarHBondContact O-CB 3.39Å; T138-K142 VanDerWaalsContact O-CG 3.23Å; T138-K142 WeakPolarHBondContact O-CG 3.28Å; T138-K142 PolarHBondContact O-N 3.06Å; K142-R144 PolarHBondContact O-N 3.07Å; K142-R144 VanDerWaalsContact O-N 3.08Å; K142-N145 PolarHBondContact O-N 2.73Å
143H57.1Low62Low143 Ų143104.9 Ų104.966%0.66254%0.544SS*.THydrogen-bonded Turntrans-60.6-15.5174.5-118.9-66.8000114.5T141T141-H143 PolarHBondContact O-N 3.36Å; T141-H143 VanDerWaalsContact O-N 3.12Å
144R50.8Low59.5Low224 Ų224110.1 Ų110.185%0.84558%0.575SS**THydrogen-bonded Turntrans-81.3-19.1-178.6-157.3173.4-172.7-167.1-1.9114.5T141 K142T141-R144 WeakPolarHBondContact O-CB 3.32Å; T141-R144 PolarHBondContact O-N 3.27Å; K142-R144 PolarHBondContact O-N 3.07Å; K142-R144 VanDerWaalsContact O-N 3.08Å
145N51.7Low57.4Low129 Ų129114.7 Ų114.769%0.6959%0.594SS**THydrogen-bonded Turntrans-108.5-10.7-170.5-66.120.4000114K142 K147K142-N145 PolarHBondContact O-N 2.73Å; N145-K147 VanDerWaalsContact C-N 3.3Å; N145-K147 PolarHBondContact O-N 2.8Å; N145-K147 VanDerWaalsContact O-N 3.13Å
146K50.2Low55.2Low163 Ų163122 Ų12271%0.70963%0.631SS**THydrogen-bonded Turntrans-87.932.2-166.7-150-177.3-179.9-175.40115.1
147K44.1Very low52.6Low201 Ų201133.9 Ų133.987%0.87468%0.676SS**THydrogen-bonded Turntrans-114.9-15.5170.1-91.7-161.9170.9-166.60114.6N145N145-K147 VanDerWaalsContact C-N 3.3Å; N145-K147 PolarHBondContact O-N 2.8Å; N145-K147 VanDerWaalsContact O-N 3.13Å
148N38.3Very low50.4Low154 Ų154134.4 Ų134.482%0.82470%0.698SS**SBendtrans-107.164175.7-67.931.5000109.9
149T35.3Very low48.1Very low113 Ų113137.2 Ų137.269%0.69372%0.72SS**  trans-150.647.5170.9-31.70000111.4
150L34.4Very low46Very low161 Ų161139.7 Ų139.784%0.84375%0.747SS**  trans-70.2119.4139.8-179.572.9000105.8
151N35.7Very low44Very low147 Ų147147 Ų14779%0.78679%0.785SS**  trans-177.1131.6149.7-95-7.9000108.3
152G35.3Very low42.2Very low61 Ų61148 Ų14863%0.62980%0.795SS**  trans-70.5172.7161.800000110.9D154G152-D154 PolarHBondContact O-N 2.88Å; G152-D154 VanDerWaalsContact O-N 3.16Å
153P35.8Very low41.2Very low134 Ų134149.7 Ų149.787%0.8781%0.81SS**SBendtrans-76.2103.2179.831.2-32.7000110.6
154D38Very low40.6Very low154 Ų154147.1 Ų147.182%0.82481%0.808SS**  trans-163.4169.3152.8-120.3-35.6000113.4G152G152-D154 PolarHBondContact O-N 2.88Å; G152-D154 VanDerWaalsContact O-N 3.16Å
155L44.3Very low40.4Very low161 Ų161145.6 Ų145.684%0.84381%0.811SS**  trans60.985.6169.3-70.4162.8000117.4
156L41.4Very low40.2Very low167 Ų167144.8 Ų144.887%0.87481%0.81SS**  trans-49.3163141.1-66164.3000111.5
157R35.3Very low40.6Very low249 Ų249139.3 Ų139.394%0.9479%0.793SS**  trans81.964.2162.2-160.1-170.3-174.6164.51.6117.6
158A39.6Very low41.4Very low107 Ų107137.6 Ų137.688%0.88479%0.788SS**  trans-143.691.1154.600000111
159S37.5Very low42.6Very low122 Ų122136.6 Ų136.685%0.85378%0.782SS**  trans-104.2136.6175.4-67.50000111.2
160A39.7Very low44.1Very low96 Ų96135.5 Ų135.579%0.79377%0.771SS**  trans69167.317300000117.3
161L42Very low45.7Very low173 Ų173133 Ų13391%0.90676%0.758SS**  trans7073.2173.9-49.9-175.9000117.9
162S35.5Very low47.3Very low102 Ų102131.3 Ų131.371%0.71375%0.749SS**  -167.4117.5112.1-170.70000110.5S164S162-S164 PolarHBondContact OG-OG 3.14Å
163L43.4Very low48.7Very low183 Ų183131.3 Ų131.396%0.95874%0.743SS**  trans-131.962.6176.3-15784.4000110
164S44Very low50.1Low88 Ų88129.4 Ų129.462%0.61573%0.733SS**  trans-114.199.1-177.356.10000111.7S162 T166S162-S164 PolarHBondContact OG-OG 3.14Å; S164-T166 PolarHBondContact O-N 2.86Å
165Q46.9Very low51.3Low193 Ų193125.8 Ų125.890%0.90273%0.725SS**  trans36.379.2153.1-65.6175.3-35.200117.3
166T47.1Very low52Low111 Ų111124 Ų12468%0.68172%0.715SS**  trans-63.8131.9147.3520000108S164S164-T166 PolarHBondContact O-N 2.86Å
167S58.9Low52.5Low49 Ų49121.1 Ų121.134%0.34371%0.706SS.*  trans-71.1158.9-177.574.50000111.4L169 D170 L171S167-L169 PolarHBondContact O-N 3.23Å; S167-L169 VanDerWaalsContact OG-CB 3.29Å; S167-L169 WeakPolarHBondContact OG-CB 3.45Å; S167-L169 PolarHBondContact OG-N 3.08Å; S167-D170 WeakPolarHBondContact CB-OD2 3.35Å; S167-D170 PolarHBondContact N-OD2 2.86Å; S167-D170 PolarHBondContact O-N 3.11Å; S167-D170 VanDerWaalsContact OG-CG 3.31Å; S167-D170 PolarHBondContact OG-N 2.91Å; S167-D170 VanDerWaalsContact OG-N 3.13Å; S167-D170 PolarHBondContact OG-OD2 2.82Å; S167-L171 PolarHBondContact O-N 2.85Å
168E61.1Low53.1Low164 Ų164116.2 Ų116.277%0.76670%0.699SS**Hα-helixtrans-60.8-25.6167.9-69.7-168.4125.900111.4L171 L172E168-L171 PolarHBondContact O-N 3.41Å; E168-L172 WeakPolarHBondContact O-CB 3.4Å; E168-L172 VanDerWaalsContact O-CG 3.27Å; E168-L172 WeakPolarHBondContact O-CG 3.19Å; E168-L172 PolarHBondContact O-N 3.22Å
169L62.7Low53.4Low133 Ų133118.9 Ų118.970%0.69670%0.697SS**Hα-helixtrans-63.3-40.8175.5-130.974.2000112.2S167 L172 A173S167-L169 PolarHBondContact O-N 3.23Å; S167-L169 VanDerWaalsContact OG-CB 3.29Å; S167-L169 WeakPolarHBondContact OG-CB 3.45Å; S167-L169 PolarHBondContact OG-N 3.08Å; L169-L172 PolarHBondContact O-N 2.96Å; L169-A173 WeakPolarHBondContact O-CB 3.46Å; L169-A173 PolarHBondContact O-N 2.97Å
170D67.2Low53.8Low90 Ų90118.9 Ų118.948%0.48169%0.686SS.*Hα-helixtrans-67.3-37.4176.8-58.7-64.3000111.8S167 L172 S174S167-D170 WeakPolarHBondContact CB-OD2 3.35Å; S167-D170 PolarHBondContact N-OD2 2.86Å; S167-D170 PolarHBondContact O-N 3.11Å; S167-D170 VanDerWaalsContact OG-CG 3.31Å; S167-D170 PolarHBondContact OG-N 2.91Å; S167-D170 VanDerWaalsContact OG-N 3.13Å; S167-D170 PolarHBondContact OG-OD2 2.82Å; D170-L172 VanDerWaalsContact C-N 3.32Å; D170-S174 WeakPolarHBondContact O-CB 3.32Å; D170-S174 PolarHBondContact O-N 2.69Å; D170-S174 PolarHBondContact O-OG 2.78Å
171L69.3Low53.7Low108 Ų108120.1 Ų120.157%0.56568%0.68SS**Hα-helixtrans-70.2-27.8175.2-77.1165.3000112.7S167 E168 A175S167-L171 PolarHBondContact O-N 2.85Å; E168-L171 PolarHBondContact O-N 3.41Å; L171-A175 WeakPolarHBondContact O-CB 3.4Å; L171-A175 PolarHBondContact O-N 2.93Å
172L68.3Low53.8Low112 Ų112118 Ų11859%0.58667%0.669SS**Hα-helixtrans-80.2-43.8172.1-71169.8000111.7E168 L169 D170 S174 A175 L176E168-L172 WeakPolarHBondContact O-CB 3.4Å; E168-L172 VanDerWaalsContact O-CG 3.27Å; E168-L172 WeakPolarHBondContact O-CG 3.19Å; E168-L172 PolarHBondContact O-N 3.22Å; L169-L172 PolarHBondContact O-N 2.96Å; D170-L172 VanDerWaalsContact C-N 3.32Å; L172-S174 VanDerWaalsContact C-N 3.35Å; L172-S174 PolarHBondContact O-N 2.87Å; L172-A175 CarbonylContact O-C 3.57Å; L172-A175 WeakPolarHBondContact O-CA 3.43Å; L172-A175 WeakPolarHBondContact O-CB 3.41Å; L172-A175 PolarHBondContact O-N 2.82Å; L172-L176 PolarHBondContact O-N 2.86Å; L172-L176 VanDerWaalsContact O-N 3.08Å
173A65.3Low54.3Low61 Ų61121 Ų12150%0.50467%0.672SS.*Hα-helixtrans-60-43.6176.700000111.6L169 A175 L176L169-A173 WeakPolarHBondContact O-CB 3.46Å; L169-A173 PolarHBondContact O-N 2.97Å; A173-A175 PolarHBondContact O-N 3.28Å; A173-L176 PolarHBondContact O-N 3.19Å
174S64.4Low54.7Low95 Ų95120 Ų12066%0.66467%0.665SS**THydrogen-bonded Turntrans-74.6-4.5174.159.70000114.8D170 L172D170-S174 WeakPolarHBondContact O-CB 3.32Å; D170-S174 PolarHBondContact O-N 2.69Å; D170-S174 PolarHBondContact O-OG 2.78Å; L172-S174 VanDerWaalsContact C-N 3.35Å; L172-S174 PolarHBondContact O-N 2.87Å
175A64.3Low54.6Low78 Ų78125 Ų12565%0.64567%0.671SS**THydrogen-bonded Turntrans-100.2-13.8171.500000113.5L171 L172 A173L171-A175 WeakPolarHBondContact O-CB 3.4Å; L171-A175 PolarHBondContact O-N 2.93Å; L172-A175 CarbonylContact O-C 3.57Å; L172-A175 WeakPolarHBondContact O-CA 3.43Å; L172-A175 WeakPolarHBondContact O-CB 3.41Å; L172-A175 PolarHBondContact O-N 2.82Å; A173-A175 PolarHBondContact O-N 3.28Å
176L58.3Low54.2Low122 Ų122121.2 Ų121.264%0.63965%0.654SS**SBendtrans-69.5150.5167.2-67.2173.9000110.2L172 A173L172-L176 PolarHBondContact O-N 2.86Å; L172-L176 VanDerWaalsContact O-N 3.08Å; A173-L176 PolarHBondContact O-N 3.19Å
177P52.3Low53.6Low107 Ų107120 Ų12070%0.69565%0.65SS**  trans-58.3148.5165.5-17.731.2000109.9I179P177-I179 PolarHBondContact O-N 3.32Å
178N48Very low52.9Low146 Ų146124.5 Ų124.578%0.78168%0.675SS**  trans-53.1103.8173-91.819.6000110.1
179I45.7Very low52.3Low164 Ų164121.3 Ų121.384%0.84167%0.671SS**  trans-98.922.3165.5-114.2168.9000109.5P177 D181P177-I179 PolarHBondContact O-N 3.32Å; I179-D181 VanDerWaalsContact C-N 3.29Å; I179-D181 PolarHBondContact O-N 3.3Å
180L44.6Very low51.9Low122 Ų122118.2 Ų118.264%0.63967%0.665SS**  trans-66.186.2177.5-70177.1000111.1
181D38.3Very low51.7Low122 Ų122117.4 Ų117.465%0.65266%0.658SS**SBendtrans73.5129.7133-46.8-45.3000118.8I179 E183I179-D181 VanDerWaalsContact C-N 3.29Å; I179-D181 PolarHBondContact O-N 3.3Å; D181-E183 PolarHBondContact O-N 2.8Å
182N44.7Very low52.3Low128 Ų128113.7 Ų113.768%0.68464%0.638SS**  trans71.1-0.9164.5-65.8-7.7000121.4M184 Y185N182-M184 PolarHBondContact O-N 2.83Å; N182-M184 VanDerWaalsContact O-N 3.08Å; N182-Y185 PolarHBondContact O-N 2.96Å
183E46.4Very low53.4Low165 Ų165110.3 Ų110.377%0.77162%0.622SS**G310 helixtrans-59.3-19.7167.2-84-163.7-176.600113.2D181 Y185 E186D181-E183 PolarHBondContact O-N 2.8Å; E183-Y185 PolarHBondContact O-N 2.81Å; E183-E186 PolarHBondContact O-N 3.41Å
184M51.3Low54.7Low163 Ų163108 Ų10880%0.80360%0.601SS**G310 helixtrans-68.3-13.9178.9-162.9170.673.600114.4N182N182-M184 PolarHBondContact O-N 2.83Å; N182-M184 VanDerWaalsContact O-N 3.08Å
185Y42.5Very low56Low191 Ų191104.9 Ų104.975%0.74958%0.579SS**G310 helixtrans-113.55.1179.2-70.9-75.2000114N182 E183N182-Y185 PolarHBondContact O-N 2.96Å; E183-Y185 PolarHBondContact O-N 2.81Å
186E38.2Very low57.5Low115 Ų115101.1 Ų101.154%0.53755%0.548SS..SBendtrans-82.6125174-160.6-177.7-128.300110.9E183 T188 Q191E183-E186 PolarHBondContact O-N 3.41Å; E186-T188 PolarHBondContact O-N 3.39Å; E186-Q191 PolarHBondContact OE2-NE2 2.97Å
187S34.2Very low59.3Low86 Ų86100.5 Ų100.560%0.60154%0.538SS*.  trans-53.5109.4-169.8-60.20000113.8S189 A190S187-S189 PolarHBondContact O-N 2.94Å; S187-A190 PolarHBondContact O-N 3.27Å
188T43.6Very low61.3Low143 Ų14395.9 Ų95.988%0.87751%0.508SS*.THydrogen-bonded Turntrans-64.4-5.7-168.3-28.20000115E186E186-T188 PolarHBondContact O-N 3.39Å
189S48.1Very low63.5Low97 Ų9791.8 Ų91.868%0.67849%0.485SS*.THydrogen-bonded Turntrans-84.9-27.1-178.854.10000114.7S187S187-S189 PolarHBondContact O-N 2.94Å
190A53.9Low65.6Low68 Ų6889.4 Ų89.456%0.56247%0.47SS*.THydrogen-bonded Turntrans-90.7-32.3-165.800000114.8S187 D192 T193S187-A190 PolarHBondContact O-N 3.27Å; A190-D192 PolarHBondContact O-N 3.47Å; A190-T193 PolarHBondContact O-N 3.26Å
191Q63Low67.8Low72 Ų7284.5 Ų84.534%0.33645%0.445SS..THydrogen-bonded Turntrans-63.6-19.2-167.8-69.6-166.6-100115.6E186E186-Q191 PolarHBondContact OE2-NE2 2.97Å
192D83.5Confident70.2Confident30 Ų3085.8 Ų85.816%0.1645%0.447CS..THydrogen-bonded Turntrans-102.23.3-169.6-77.75.2000114.7A190 R216 I217 R279 Q283A190-D192 PolarHBondContact O-N 3.47Å; D192-R216 WeakPolarHBondContact O-CA 3.46Å; D192-I217 PolarHBondContact O-N 3.37Å; D192-R279 IonicContact OD1-CZ 2.78Å; D192-R279 IonicContact OD1-NE 3.35Å; D192-R279 PolarHBondContact OD1-NE 3.01Å; D192-R279 IonicContact OD1-NH2 3.6Å; D192-R279 PolarHBondContact OD1-NH2 3Å; D192-R279 IonicContact OD2-CZ 3.53Å; D192-R279 IonicContact OD2-NE 3.45Å; D192-R279 PolarHBondContact OD2-NE 3.37Å; D192-R279 IonicContact OD2-NH2 2.74Å; D192-R279 PolarHBondContact OD2-NH2 2.7Å; D192-Q283 PolarHBondContact OD2-NE2 2.8Å
193T90.7Very high72.4Confident41 Ų4182.3 Ų82.325%0.25243%0.426SS..EExtended strand (participates in β ladder)trans-108.7130.7-178.7-51.60000111A190 L214 R216 L225A190-T193 PolarHBondContact O-N 3.26Å; T193-L214 HydrophobicContact CG2-CB 3.8Å; T193-L214 HydrophobicContact CG2-CD1 4.43Å; T193-L214 HydrophobicContact CG2-CD2 4.37Å; T193-L214 HydrophobicContact CG2-CG 4.43Å; T193-R216 HydrophobicContact CG2-CB 4.36Å; T193-L225 HydrophobicContact CG2-CD1 4.49Å
194F92.3Very high74.6Confident14 Ų1474.5 Ų74.56%0.06139%0.39CS..EExtended strand (participates in β ladder)trans-125.9132-173.9-63.2-99.1000111V196 L214 L215 I217 K275 F276 R279F194-V196 HydrophobicContact CB-CG1 4.49Å; F194-V196 PolarHBondContact O-N 3.1Å; F194-L214 CarbonylContact O-C 3.46Å; F194-L214 WeakPolarHBondContact O-CA 3.44Å; F194-L215 PolarHBondContact N-O 3.46Å; F194-L215 PolarHBondContact O-N 3.12Å; F194-I217 HydrophobicContact CD2-CD1 4.19Å; F194-I217 HydrophobicContact CD2-CG1 4.19Å; F194-I217 HydrophobicContact CE2-CD1 3.7Å; F194-I217 HydrophobicContact CE2-CG1 4.04Å; F194-I217 HydrophobicContact CZ-CD1 4.49Å; F194-K275 HydrophobicContact CE1-CB 4.36Å; F194-K275 HydrophobicContact CE1-CD 4.36Å; F194-K275 HydrophobicContact CE1-CG 4.11Å; F194-F276 HydrophobicContact CB-CD2 4.16Å; F194-F276 HydrophobicContact CD1-CB 3.97Å; F194-F276 AromaticContact CD1-CD2 3.97Å; F194-F276 HydrophobicContact CD1-CD2 3.97Å; F194-F276 HydrophobicContact CD1-CG 4.48Å; F194-F276 AromaticContact CD2-CD2 3.67Å; F194-F276 HydrophobicContact CD2-CD2 3.67Å; F194-F276 HydrophobicContact CD2-CE2 4.23Å; F194-F276 HydrophobicContact CE1-CB 3.83Å; F194-F276 HydrophobicContact CE1-CD2 4.27Å; F194-F276 AromaticContact CE2-CD2 4Å; F194-F276 HydrophobicContact CE2-CD2 4Å; F194-F276 AromaticContact CG-CD2 3.66Å; F194-F276 HydrophobicContact CG-CD2 3.66Å; F194-F276 HydrophobicContact CG-CE2 4.47Å; F194-F276 HydrophobicContact CZ-CB 4.3Å; F194-F276 HydrophobicContact CZ-CD2 4.29Å; F194-R279 HydrophobicContact CZ-CB 4.15Å; F194-R279 HydrophobicContact CZ-CG 4.47Å
195S92.8Very high76.5Confident28 Ų2873.5 Ų73.520%0.19638%0.381CS..EExtended strand (participates in β ladder)trans-64.6127.6168.1177.60000109.6R212S195-R212 PolarHBondContact OG-NE 2.93Å; S195-R212 PolarHBondContact OG-NH2 2.81Å
196V95.1Very high78.8Confident0 Ų068.8 Ų68.80%037%0.368CS..EExtended strand (participates in β ladder)trans-137.3154.9179.1-56.10000111.8F194 R212 Y213 L215 F268 L269 I270F194-V196 HydrophobicContact CB-CG1 4.49Å; F194-V196 PolarHBondContact O-N 3.1Å; V196-R212 WeakPolarHBondContact O-CA 3.4Å; V196-Y213 PolarHBondContact N-O 3.32Å; V196-Y213 PolarHBondContact O-N 2.92Å; V196-Y213 VanDerWaalsContact O-O 3.13Å; V196-L215 HydrophobicContact CB-CB 4.49Å; V196-L215 HydrophobicContact CG1-CB 3.71Å; V196-L215 HydrophobicContact CG1-CD2 4.19Å; V196-L215 HydrophobicContact CG2-CB 3.87Å; V196-F268 HydrophobicContact CB-CB 4.17Å; V196-F268 HydrophobicContact CG1-CB 4.46Å; V196-F268 HydrophobicContact CG2-CB 4.44Å; V196-F268 HydrophobicContact CG2-CD1 3.91Å; V196-L269 VanDerWaalsContact CA-O 3.25Å; V196-L269 WeakPolarHBondContact CA-O 3.4Å; V196-L269 WeakPolarHBondContact CB-O 3.11Å; V196-I270 HydrophobicContact CG1-CD1 4.01Å; V196-I270 HydrophobicContact CG1-CG1 3.8Å
197Y95.7Very high81.3Confident109 Ų10965.8 Ų65.843%0.42736%0.356SS..EExtended strand (participates in β ladder)trans-113.4131.1167.9-75.3-97.3000110.4I199 G211 R212 F268 L269Y197-I199 PolarHBondContact O-N 2.76Å; Y197-G211 WeakPolarHBondContact CA-O 3.16Å; Y197-R212 HydrophobicContact CD1-CB 4.02Å; Y197-R212 HydrophobicContact CD2-CG 4.48Å; Y197-R212 HydrophobicContact CE1-CB 3.67Å; Y197-R212 HydrophobicContact CE1-CG 4.11Å; Y197-R212 HydrophobicContact CE2-CG 4.06Å; Y197-F268 CarbonylContact O-C 3.47Å; Y197-F268 WeakPolarHBondContact O-CA 3.44Å; Y197-L269 PolarHBondContact N-O 3.42Å; Y197-L269 PolarHBondContact O-N 2.81Å
198I95Very high84Confident10 Ų1064.3 Ų64.35%0.05135%0.354CS..EExtended strand (participates in β ladder)trans-80.4121.4178.5-65.6-176.5000109.6L209 G211 Y213 L224 F268I198-L209 HydrophobicContact CD1-CB 3.88Å; I198-G211 PolarHBondContact N-O 2.87Å; I198-Y213 HydrophobicContact CD1-CD2 3.37Å; I198-Y213 HydrophobicContact CD1-CE2 3.56Å; I198-Y213 HydrophobicContact CD1-CG 4.23Å; I198-Y213 HydrophobicContact CG1-CD2 3.78Å; I198-Y213 HydrophobicContact CG1-CE2 4.25Å; I198-L224 HydrophobicContact CD1-CD1 4.27Å; I198-L224 HydrophobicContact CD1-CD2 3.83Å; I198-F268 HydrophobicContact CD1-CD1 4.4Å; I198-F268 HydrophobicContact CD1-CE1 3.94Å; I198-F268 HydrophobicContact CG1-CD1 3.75Å; I198-F268 HydrophobicContact CG1-CE1 3.79Å
199I92.9Very high86.4Confident59 Ų5957.8 Ų57.830%0.30331%0.314SS..EExtended strand (participates in β ladder)trans-83127.5170.2-58.8-176.5000107.8Y197 T201 R250 I267Y197-I199 PolarHBondContact O-N 2.76Å; I199-T201 PolarHBondContact O-N 3.48Å; I199-T201 VanDerWaalsContact O-N 3.09Å; I199-R250 HydrophobicContact CD1-CG 4.11Å; I199-I267 HydrophobicContact CB-CB 4.17Å; I199-I267 HydrophobicContact CB-CG2 4.3Å; I199-I267 HydrophobicContact CD1-CG2 3.95Å; I199-I267 HydrophobicContact CG1-CG2 4.44Å; I199-I267 PolarHBondContact N-O 3.05Å
200H90.9Very high88.4Confident114 Ų11456 Ų5653%0.52830%0.301SS..  trans-57.8111.2-176.8-70.4103.1000112.9S204 S210H200-S204 WeakPolarHBondContact CA-OG 3.29Å; H200-S210 WeakPolarHBondContact NE2-CB 3.37Å
201T91.2Very high90.3Very high19 Ų1954.4 Ų54.412%0.11729%0.292CS..  trans-109.9169.6167.366.40000109.8I199 K203 S204 K205 L265 I267I199-T201 PolarHBondContact O-N 3.48Å; I199-T201 VanDerWaalsContact O-N 3.09Å; T201-K203 VanDerWaalsContact C-N 3.29Å; T201-K203 PolarHBondContact O-N 3.08Å; T201-S204 PolarHBondContact N-OG 2.86Å; T201-S204 PolarHBondContact O-N 2.88Å; T201-S204 PolarHBondContact OG1-N 3.25Å; T201-K205 WeakPolarHBondContact O-CB 3.49Å; T201-K205 VanDerWaalsContact O-CG 3.31Å; T201-K205 WeakPolarHBondContact O-CG 3.42Å; T201-K205 PolarHBondContact O-N 3.36Å; T201-L265 VanDerWaalsContact CB-O 3.3Å; T201-L265 WeakPolarHBondContact CB-O 3.26Å; T201-L265 HydrophobicContact CG2-CG 4.45Å; T201-L265 WeakPolarHBondContact CG2-O 3Å; T201-L265 PolarHBondContact OG1-O 3.46Å; T201-I267 HydrophobicContact CG2-CB 4.45Å; T201-I267 HydrophobicContact CG2-CD1 3.98Å; T201-I267 HydrophobicContact CG2-CG1 3.93Å
202E89Confident91.8Very high150 Ų15057.1 Ų57.170%0.70130%0.299SS*.Hα-helixtrans-46.1-55.6168.3-177.4-173.7-174.200110.5S204 K205 D206E202-S204 PolarHBondContact O-N 3.31Å; E202-K205 WeakPolarHBondContact O-CB 3.23Å; E202-K205 PolarHBondContact O-N 3.42Å; E202-D206 PolarHBondContact O-N 3.19Å
203K89.7Confident92.3Very high55 Ų5557.2 Ų57.224%0.23930%0.297CS..Hα-helixtrans-76.4-16.9-176.4-78.6-89.8170.5-81.50115.7T201 D206 L207 R263 F266T201-K203 VanDerWaalsContact C-N 3.29Å; T201-K203 PolarHBondContact O-N 3.08Å; K203-D206 WeakPolarHBondContact CA-OD2 3.41Å; K203-D206 IonicContact NZ-OD2 3.19Å; K203-D206 PolarHBondContact NZ-OD2 3.16Å; K203-L207 WeakPolarHBondContact O-CD1 3.45Å; K203-L207 WeakPolarHBondContact O-CG 3.47Å; K203-R263 WeakPolarHBondContact CE-O 3.39Å; K203-F266 HydrophobicContact CB-CE1 4.41Å; K203-F266 HydrophobicContact CB-CZ 4.34Å
204S92Very high92.5Very high0 Ų056.2 Ų56.20%029%0.29CS..Hα-helixtrans-78.3-39.4167.197.50000110.9H200 T201 E202 L207 G208 L209H200-S204 WeakPolarHBondContact CA-OG 3.29Å; T201-S204 PolarHBondContact N-OG 2.86Å; T201-S204 PolarHBondContact O-N 2.88Å; T201-S204 PolarHBondContact OG1-N 3.25Å; E202-S204 PolarHBondContact O-N 3.31Å; S204-L207 PolarHBondContact O-N 2.97Å; S204-G208 PolarHBondContact O-N 3.04Å; S204-L209 WeakPolarHBondContact CB-O 3.48Å; S204-L209 PolarHBondContact O-N 2.74Å; S204-L209 PolarHBondContact OG-O 2.84Å; S204-L209 VanDerWaalsContact OG-O 3.11Å
205K91.2Very high92.6Very high142 Ų14255.6 Ų55.662%0.61729%0.288SS*.Hα-helixtrans-62.3-45.9174.1-70.4177.7-179.3-170.90111.9T201 E202 L207 G208T201-K205 WeakPolarHBondContact O-CB 3.49Å; T201-K205 VanDerWaalsContact O-CG 3.31Å; T201-K205 WeakPolarHBondContact O-CG 3.42Å; T201-K205 PolarHBondContact O-N 3.36Å; E202-K205 WeakPolarHBondContact O-CB 3.23Å; E202-K205 PolarHBondContact O-N 3.42Å; K205-L207 PolarHBondContact O-N 3.01Å; K205-L207 VanDerWaalsContact O-N 3.08Å; K205-G208 PolarHBondContact O-N 2.71Å
206D91.1Very high92.6Very high92 Ų9257.4 Ų57.449%0.49229%0.29SS..THydrogen-bonded Turntrans-55.3-27.1177.5-63-29.8000113.5E202 K203E202-D206 PolarHBondContact O-N 3.19Å; K203-D206 WeakPolarHBondContact CA-OD2 3.41Å; K203-D206 IonicContact NZ-OD2 3.19Å; K203-D206 PolarHBondContact NZ-OD2 3.16Å
207L91.3Very high92.4Very high53 Ų5357.5 Ų57.528%0.27729%0.291SS..THydrogen-bonded Turntrans-105.75.2-177.3-61.2176.1000113.2K203 S204 K205 L209 D261 F266K203-L207 WeakPolarHBondContact O-CD1 3.45Å; K203-L207 WeakPolarHBondContact O-CG 3.47Å; S204-L207 PolarHBondContact O-N 2.97Å; K205-L207 PolarHBondContact O-N 3.01Å; K205-L207 VanDerWaalsContact O-N 3.08Å; L207-L209 HydrophobicContact CB-CD1 3.93Å; L207-L209 HydrophobicContact CB-CG 3.82Å; L207-L209 HydrophobicContact CD1-CD1 3.99Å; L207-L209 PolarHBondContact O-N 2.78Å; L207-D261 HydrophobicContact CD1-CB 3.75Å; L207-D261 VanDerWaalsContact CD1-CG 3.41Å; L207-D261 HydrophobicContact CD2-CB 4.19Å; L207-D261 WeakPolarHBondContact CD2-OD1 3.48Å; L207-F266 HydrophobicContact CD1-CE1 3.86Å; L207-F266 HydrophobicContact CD1-CZ 3.73Å
208G92Very high92.1Very high55 Ų5556.4 Ų56.457%0.56729%0.288SS*.THydrogen-bonded Turntrans689.4-175.500000115.2S204 K205 S210S204-G208 PolarHBondContact O-N 3.04Å; K205-G208 PolarHBondContact O-N 2.71Å; G208-S210 PolarHBondContact O-N 2.78Å
209L92.5Very high91.6Very high6 Ų660.8 Ų60.83%0.03131%0.308CS..  trans-79.6107.9-173.7-62.5177.3000111.2I198 S204 L207 L224 V233 K234 W236 F266I198-L209 HydrophobicContact CD1-CB 3.88Å; S204-L209 WeakPolarHBondContact CB-O 3.48Å; S204-L209 PolarHBondContact O-N 2.74Å; S204-L209 PolarHBondContact OG-O 2.84Å; S204-L209 VanDerWaalsContact OG-O 3.11Å; L207-L209 HydrophobicContact CB-CD1 3.93Å; L207-L209 HydrophobicContact CB-CG 3.82Å; L207-L209 HydrophobicContact CD1-CD1 3.99Å; L207-L209 PolarHBondContact O-N 2.78Å; L209-L224 HydrophobicContact CD1-CD2 4.32Å; L209-L224 HydrophobicContact CD2-CD2 3.96Å; L209-V233 HydrophobicContact CD2-CG1 3.76Å; L209-K234 HydrophobicContact CD1-CG 4.08Å; L209-W236 HydrophobicContact CD1-CZ2 4.4Å; L209-F266 HydrophobicContact CD1-CE1 4.13Å
210S91.5Very high91.3Very high59 Ų5963.4 Ų63.441%0.41332%0.323SS..  trans-149.8152.7-178.663.60000111.7H200 G208 Y213H200-S210 WeakPolarHBondContact NE2-CB 3.37Å; G208-S210 PolarHBondContact O-N 2.78Å; S210-Y213 VanDerWaalsContact O-CE2 3.26Å; S210-Y213 WeakPolarHBondContact O-CE2 3.26Å
211G92.4Very high91.3Very high35 Ų3558.5 Ų58.536%0.36130%0.302SS..EExtended strand (participates in β ladder)trans85.4-147.1179.300000114.4Y197 I198Y197-G211 WeakPolarHBondContact CA-O 3.16Å; I198-G211 PolarHBondContact N-O 2.87Å
212R94Very high91.4Very high129 Ų12957.6 Ų57.649%0.48730%0.297SS..EExtended strand (participates in β ladder)trans-97.2135.4-171.1-169.1-174.9-175.9-1712.5111.4S195 V196 Y197S195-R212 PolarHBondContact OG-NE 2.93Å; S195-R212 PolarHBondContact OG-NH2 2.81Å; V196-R212 WeakPolarHBondContact O-CA 3.4Å; Y197-R212 HydrophobicContact CD1-CB 4.02Å; Y197-R212 HydrophobicContact CD2-CG 4.48Å; Y197-R212 HydrophobicContact CE1-CB 3.67Å; Y197-R212 HydrophobicContact CE1-CG 4.11Å; Y197-R212 HydrophobicContact CE2-CG 4.06Å
213Y95.1Very high91.6Very high31 Ų3151 Ų5112%0.12227%0.266CS..EExtended strand (participates in β ladder)trans-140170.8175.2-69.7-85.7000111.6V196 I198 S210 L224 V233V196-Y213 PolarHBondContact N-O 3.32Å; V196-Y213 PolarHBondContact O-N 2.92Å; V196-Y213 VanDerWaalsContact O-O 3.13Å; I198-Y213 HydrophobicContact CD1-CD2 3.37Å; I198-Y213 HydrophobicContact CD1-CE2 3.56Å; I198-Y213 HydrophobicContact CD1-CG 4.23Å; I198-Y213 HydrophobicContact CG1-CD2 3.78Å; I198-Y213 HydrophobicContact CG1-CE2 4.25Å; S210-Y213 VanDerWaalsContact O-CE2 3.26Å; S210-Y213 WeakPolarHBondContact O-CE2 3.26Å; Y213-L224 HydrophobicContact CD1-CD1 4.5Å; Y213-L224 HydrophobicContact CD1-CD2 3.89Å; Y213-L224 HydrophobicContact CD1-CG 3.99Å; Y213-L224 HydrophobicContact CD2-CD2 4.28Å; Y213-L224 HydrophobicContact CE1-CD2 4.21Å; Y213-L224 HydrophobicContact CG-CD1 3.98Å; Y213-L224 HydrophobicContact CG-CD2 3.92Å; Y213-L224 HydrophobicContact CG-CG 3.97Å; Y213-V233 HydrophobicContact CD1-CG2 4.44Å; Y213-V233 HydrophobicContact CE1-CG1 4.26Å; Y213-V233 HydrophobicContact CE1-CG2 4.2Å
214L94.1Very high91.9Very high21 Ų2148.4 Ų48.411%0.1125%0.254CS..EExtended strand (participates in β ladder)trans-107.3110.6172.3-68.1178.3000109.6T193 F194 L225 P227 Y230T193-L214 HydrophobicContact CG2-CB 3.8Å; T193-L214 HydrophobicContact CG2-CD1 4.43Å; T193-L214 HydrophobicContact CG2-CD2 4.37Å; T193-L214 HydrophobicContact CG2-CG 4.43Å; F194-L214 CarbonylContact O-C 3.46Å; F194-L214 WeakPolarHBondContact O-CA 3.44Å; L214-L225 HydrophobicContact CB-CB 4.09Å; L214-L225 PolarHBondContact N-O 3.49Å; L214-L225 PolarHBondContact O-N 2.89Å; L214-P227 HydrophobicContact CG-CB 4.34Å; L214-Y230 HydrophobicContact CD1-CD1 3.84Å; L214-Y230 HydrophobicContact CD1-CE1 3.43Å; L214-Y230 VanDerWaalsContact CD1-CE1 3.43Å
215L94.9Very high92Very high0 Ų048.5 Ų48.50%026%0.255CS..EExtended strand (participates in β ladder)trans-90.1109.6177.3-176.962.5000110F194 V196 F222 W236 F251 F268 F276F194-L215 PolarHBondContact N-O 3.46Å; F194-L215 PolarHBondContact O-N 3.12Å; V196-L215 HydrophobicContact CB-CB 4.49Å; V196-L215 HydrophobicContact CG1-CB 3.71Å; V196-L215 HydrophobicContact CG1-CD2 4.19Å; V196-L215 HydrophobicContact CG2-CB 3.87Å; L215-F222 HydrophobicContact CD1-CB 4.34Å; L215-W236 HydrophobicContact CD1-CZ3 4.49Å; L215-F251 HydrophobicContact CD2-CD1 3.68Å; L215-F251 HydrophobicContact CD2-CE1 3.91Å; L215-F268 HydrophobicContact CD2-CG 4.46Å; L215-F276 HydrophobicContact CD2-CE2 3.7Å; L215-F276 HydrophobicContact CD2-CZ 3.85Å; L215-F276 HydrophobicContact CG-CE2 4.33Å
216R93.4Very high92.1Very high67 Ų6743.6 Ų43.625%0.25324%0.235SC..EExtended strand (participates in β ladder)trans-96.5125.7175.8-178.1166.165.4-156.4-2.2110.6D192 T193 K218 E223 L225D192-R216 WeakPolarHBondContact O-CA 3.46Å; T193-R216 HydrophobicContact CG2-CB 4.36Å; R216-K218 HydrophobicContact CG-CG 4.47Å; R216-E223 HydrophobicContact CB-CB 4.36Å; R216-E223 IonicContact CZ-OE2 3.49Å; R216-E223 PolarHBondContact N-O 3.47Å; R216-E223 IonicContact NE-OE2 2.69Å; R216-E223 PolarHBondContact NE-OE2 3.29Å; R216-E223 IonicContact NH2-OE2 2.67Å; R216-E223 PolarHBondContact NH2-OE2 3.35Å; R216-E223 PolarHBondContact O-N 3.34Å; R216-L225 HydrophobicContact CB-CD1 4.03Å; R216-L225 HydrophobicContact CB-CG 4.43Å
217I91.4Very high92Very high1 Ų140.5 Ų40.51%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-92.5107.3176.6-34.9178.3000108.6D192 F194 F222 F276 R279 L280 Q283D192-I217 PolarHBondContact O-N 3.37Å; F194-I217 HydrophobicContact CD2-CD1 4.19Å; F194-I217 HydrophobicContact CD2-CG1 4.19Å; F194-I217 HydrophobicContact CE2-CD1 3.7Å; F194-I217 HydrophobicContact CE2-CG1 4.04Å; F194-I217 HydrophobicContact CZ-CD1 4.49Å; I217-F222 HydrophobicContact CG2-CD1 4.04Å; I217-F222 HydrophobicContact CG2-CE1 3.93Å; I217-F276 HydrophobicContact CD1-CD2 3.8Å; I217-F276 HydrophobicContact CD1-CE2 3.55Å; I217-F276 HydrophobicContact CD1-CG 4.49Å; I217-F276 HydrophobicContact CD1-CZ 4.06Å; I217-F276 HydrophobicContact CG1-CD2 4.44Å; I217-F276 HydrophobicContact CG1-CE2 3.87Å; I217-F276 HydrophobicContact CG1-CZ 4.49Å; I217-R279 HydrophobicContact CD1-CG 4.31Å; I217-L280 HydrophobicContact CG2-CD1 4.48Å; I217-Q283 PolarHBondContact O-NE2 2.8Å
218K88.8Confident92Very high86 Ų8644.7 Ų44.737%0.37424%0.243SC..EExtended strand (participates in β ladder)trans-101157.5170-76.3-169.2-176.9158.20110.9R216 N220 A221 E223 Q283R216-K218 HydrophobicContact CG-CG 4.47Å; K218-N220 PolarHBondContact O-N 3.45Å; K218-A221 CarbonylContact C-O 3.56Å; K218-A221 WeakPolarHBondContact CA-O 3.23Å; K218-A221 WeakPolarHBondContact CB-O 3.25Å; K218-A221 PolarHBondContact N-O 2.79Å; K218-A221 PolarHBondContact O-N 2.89Å; K218-E223 HydrophobicContact CD-CG 4.48Å; K218-E223 WeakPolarHBondContact CD-OE1 3.47Å; K218-E223 WeakPolarHBondContact CD-OE2 3.36Å; K218-E223 VanDerWaalsContact CE-CD 3.47Å; K218-E223 WeakPolarHBondContact CE-OE1 3.39Å; K218-E223 WeakPolarHBondContact CE-OE2 3.31Å; K218-E223 IonicContact NZ-OE1 3.18Å; K218-E223 PolarHBondContact NZ-OE1 3.41Å; K218-E223 IonicContact NZ-OE2 2.68Å; K218-E223 PolarHBondContact NZ-OE2 3.06Å; K218-Q283 PolarHBondContact O-OE1 2.79Å
219E83.6Confident91.9Very high102 Ų10246.5 Ų46.548%0.47724%0.243SC..THydrogen-bonded Turntrans-48.1-38.7179.9-57.2-167.9145.300114I238 L287E219-I238 WeakPolarHBondContact O-CD1 3.1Å; E219-L287 HydrophobicContact CB-CD2 4.4Å; E219-L287 WeakPolarHBondContact O-CD1 3.47Å; E219-L287 WeakPolarHBondContact O-CD2 3.25Å
220N86.5Confident91.7Very high115 Ų11553.6 Ų53.662%0.61527%0.271SS*.THydrogen-bonded Turntrans-111.1-4.2-176.4-73.4-70.6000114.8K218 P237 I238K218-N220 PolarHBondContact O-N 3.45Å; N220-P237 WeakPolarHBondContact O-CA 3.03Å; N220-I238 PolarHBondContact O-N 3.05Å
221A91.6Very high91.6Very high11 Ų1153.6 Ų53.69%0.09127%0.271CS..EExtended strand (participates in β ladder)trans-158.5151.5-175.900000113.5K218 V235 W236K218-A221 CarbonylContact C-O 3.56Å; K218-A221 WeakPolarHBondContact CA-O 3.23Å; K218-A221 WeakPolarHBondContact CB-O 3.25Å; K218-A221 PolarHBondContact N-O 2.79Å; K218-A221 PolarHBondContact O-N 2.89Å; A221-V235 HydrophobicContact CB-CG1 3.61Å; A221-W236 WeakPolarHBondContact CA-O 3.45Å
222F93.5Very high91.6Very high0 Ų056.9 Ų56.90%028%0.278CS..EExtended strand (participates in β ladder)trans-85131.8158.3-55.3-73.6000108.6L215 I217 V235 W236 I238 A241 F244 F251 L253 L280 M284L215-F222 HydrophobicContact CD1-CB 4.34Å; I217-F222 HydrophobicContact CG2-CD1 4.04Å; I217-F222 HydrophobicContact CG2-CE1 3.93Å; F222-V235 WeakPolarHBondContact O-CA 3.41Å; F222-W236 HydrophobicContact CB-CE3 4.18Å; F222-W236 PolarHBondContact N-O 2.86Å; F222-W236 PolarHBondContact O-N 3.12Å; F222-I238 HydrophobicContact CD2-CG1 4.19Å; F222-I238 HydrophobicContact CE2-CG1 3.85Å; F222-I238 HydrophobicContact CZ-CG1 4.24Å; F222-A241 HydrophobicContact CE2-CB 4.38Å; F222-F244 HydrophobicContact CE2-CD1 4.12Å; F222-F244 HydrophobicContact CE2-CD2 4.38Å; F222-F244 HydrophobicContact CE2-CE1 4.33Å; F222-F244 HydrophobicContact CE2-CG 4.16Å; F222-F244 HydrophobicContact CZ-CD1 4.34Å; F222-F244 AromaticContact CZ-CD2 3.81Å; F222-F244 HydrophobicContact CZ-CD2 3.81Å; F222-F244 HydrophobicContact CZ-CE1 4.43Å; F222-F244 AromaticContact CZ-CE2 3.91Å; F222-F244 HydrophobicContact CZ-CE2 3.91Å; F222-F244 HydrophobicContact CZ-CG 4.04Å; F222-F244 HydrophobicContact CZ-CZ 4.23Å; F222-F251 HydrophobicContact CD1-CE1 4.43Å; F222-F251 HydrophobicContact CD1-CZ 4.18Å; F222-F251 HydrophobicContact CE1-CE1 4.48Å; F222-F251 AromaticContact CE1-CZ 3.82Å; F222-F251 HydrophobicContact CE1-CZ 3.82Å; F222-F251 HydrophobicContact CE2-CZ 4.36Å; F222-F251 AromaticContact CZ-CZ 3.91Å; F222-F251 HydrophobicContact CZ-CZ 3.91Å; F222-L253 HydrophobicContact CD2-CD1 3.97Å; F222-L253 HydrophobicContact CD2-CD2 4.26Å; F222-L253 HydrophobicContact CE2-CD1 3.97Å; F222-L280 HydrophobicContact CE1-CD1 3.61Å; F222-L280 HydrophobicContact CZ-CD1 3.89Å; F222-M284 HydrophobicContact CE1-CE 4.23Å; F222-M284 HydrophobicContact CZ-CE 3.72Å
223E94Very high91.6Very high11 Ų1153 Ų535%0.05127%0.269CS..EExtended strand (participates in β ladder)trans-118.1126.9177.3-61.2-177.5155.100109.8R216 K218 L225 M232 K234 V235R216-E223 HydrophobicContact CB-CB 4.36Å; R216-E223 IonicContact CZ-OE2 3.49Å; R216-E223 PolarHBondContact N-O 3.47Å; R216-E223 IonicContact NE-OE2 2.69Å; R216-E223 PolarHBondContact NE-OE2 3.29Å; R216-E223 IonicContact NH2-OE2 2.67Å; R216-E223 PolarHBondContact NH2-OE2 3.35Å; R216-E223 PolarHBondContact O-N 3.34Å; K218-E223 HydrophobicContact CD-CG 4.48Å; K218-E223 WeakPolarHBondContact CD-OE1 3.47Å; K218-E223 WeakPolarHBondContact CD-OE2 3.36Å; K218-E223 VanDerWaalsContact CE-CD 3.47Å; K218-E223 WeakPolarHBondContact CE-OE1 3.39Å; K218-E223 WeakPolarHBondContact CE-OE2 3.31Å; K218-E223 IonicContact NZ-OE1 3.18Å; K218-E223 PolarHBondContact NZ-OE1 3.41Å; K218-E223 IonicContact NZ-OE2 2.68Å; K218-E223 PolarHBondContact NZ-OE2 3.06Å; E223-L225 HydrophobicContact CB-CD2 4.31Å; E223-M232 VanDerWaalsContact OE1-CE 3.31Å; E223-M232 WeakPolarHBondContact OE1-CE 3Å; E223-K234 WeakPolarHBondContact CA-O 3.33Å; E223-V235 HydrophobicContact CG-CG1 4.34Å; E223-V235 HydrophobicContact CG-CG2 4.27Å
224L95.2Very high91.4Very high0 Ų054 Ų540%027%0.274CS..EExtended strand (participates in β ladder)trans-91.4122.3169.1-165.175.5000108.4I198 L209 Y213 V233 K234 W236 F268I198-L224 HydrophobicContact CD1-CD1 4.27Å; I198-L224 HydrophobicContact CD1-CD2 3.83Å; L209-L224 HydrophobicContact CD1-CD2 4.32Å; L209-L224 HydrophobicContact CD2-CD2 3.96Å; Y213-L224 HydrophobicContact CD1-CD1 4.5Å; Y213-L224 HydrophobicContact CD1-CD2 3.89Å; Y213-L224 HydrophobicContact CD1-CG 3.99Å; Y213-L224 HydrophobicContact CD2-CD2 4.28Å; Y213-L224 HydrophobicContact CE1-CD2 4.21Å; Y213-L224 HydrophobicContact CG-CD1 3.98Å; Y213-L224 HydrophobicContact CG-CD2 3.92Å; Y213-L224 HydrophobicContact CG-CG 3.97Å; L224-V233 HydrophobicContact CD2-CB 4.34Å; L224-V233 HydrophobicContact CD2-CG1 4.25Å; L224-V233 PolarHBondContact O-N 3.27Å; L224-K234 HydrophobicContact CB-CB 4.12Å; L224-K234 PolarHBondContact N-O 3.44Å; L224-K234 PolarHBondContact O-N 2.97Å; L224-W236 HydrophobicContact CB-CH2 3.91Å; L224-W236 HydrophobicContact CB-CZ3 3.94Å; L224-W236 HydrophobicContact CD1-CH2 4.47Å; L224-W236 HydrophobicContact CD2-CH2 4.14Å; L224-W236 HydrophobicContact CG-CH2 4.41Å; L224-F268 HydrophobicContact CD1-CE1 3.89Å
225L94.3Very high91.4Very high2 Ų254.6 Ų54.61%0.0128%0.278CS..EExtended strand (participates in β ladder)trans-112.2145.7176.2-43.8173.9000110.5T193 L214 R216 E223 S231 M232T193-L225 HydrophobicContact CG2-CD1 4.49Å; L214-L225 HydrophobicContact CB-CB 4.09Å; L214-L225 PolarHBondContact N-O 3.49Å; L214-L225 PolarHBondContact O-N 2.89Å; R216-L225 HydrophobicContact CB-CD1 4.03Å; R216-L225 HydrophobicContact CB-CG 4.43Å; E223-L225 HydrophobicContact CB-CD2 4.31Å; L225-S231 CarbonylContact C-O 3.55Å; L225-S231 WeakPolarHBondContact CA-O 3.25Å; L225-M232 HydrophobicContact CD2-CB 4.38Å
226D92.7Very high91.4Very high39 Ų3954.6 Ų54.621%0.20928%0.278CS..  trans-67.8133.7169.8177.860.4000110.2D228 T229 Y230 S231 V233D226-D228 VanDerWaalsContact C-N 3.31Å; D226-D228 PolarHBondContact O-N 3.23Å; D226-D228 PolarHBondContact OD2-N 2.97Å; D226-T229 WeakPolarHBondContact CB-OG1 3.46Å; D226-T229 VanDerWaalsContact OD2-CB 3.29Å; D226-T229 WeakPolarHBondContact OD2-CB 3.49Å; D226-T229 WeakPolarHBondContact OD2-CG2 3.34Å; D226-T229 PolarHBondContact OD2-N 3.46Å; D226-T229 PolarHBondContact OD2-OG1 2.71Å; D226-Y230 WeakPolarHBondContact O-CA 3.36Å; D226-Y230 PolarHBondContact O-N 2.99Å; D226-S231 PolarHBondContact N-O 2.9Å; D226-V233 HydrophobicContact CB-CG2 3.76Å
227P90Very high91.3Very high27 Ų2752.8 Ų52.818%0.17528%0.275CS..THydrogen-bonded Turntrans-68.6-26.1-175.327.7-35.8000114.1L214 Y230L214-P227 HydrophobicContact CG-CB 4.34Å; P227-Y230 WeakPolarHBondContact O-CE2 3.45Å
228D89.9Confident91.2Very high141 Ų14153.8 Ų53.875%0.75428%0.28SS*.THydrogen-bonded Turntrans-95-47.5-172.9-61.4-36.8000111.6D226D226-D228 VanDerWaalsContact C-N 3.31Å; D226-D228 PolarHBondContact O-N 3.23Å; D226-D228 PolarHBondContact OD2-N 2.97Å
229T90Very high91.1Very high93 Ų9355.8 Ų55.857%0.57129%0.289SS*.THydrogen-bonded Turntrans-88.9-12.1179.264.40000114.3D226 S231D226-T229 WeakPolarHBondContact CB-OG1 3.46Å; D226-T229 VanDerWaalsContact OD2-CB 3.29Å; D226-T229 WeakPolarHBondContact OD2-CB 3.49Å; D226-T229 WeakPolarHBondContact OD2-CG2 3.34Å; D226-T229 PolarHBondContact OD2-N 3.46Å; D226-T229 PolarHBondContact OD2-OG1 2.71Å; T229-S231 PolarHBondContact O-N 2.97Å; T229-S231 VanDerWaalsContact OG1-CB 3.28Å; T229-S231 WeakPolarHBondContact OG1-CB 3.29Å; T229-S231 PolarHBondContact OG1-N 3.15Å; T229-S231 PolarHBondContact OG1-OG 3.27Å
230Y88.6Confident91.4Very high155 Ų15555.1 Ų55.161%0.60828%0.282SS*.  trans55.513.1-169.1-68.2-101.9000114.2L214 D226 P227L214-Y230 HydrophobicContact CD1-CD1 3.84Å; L214-Y230 HydrophobicContact CD1-CE1 3.43Å; L214-Y230 VanDerWaalsContact CD1-CE1 3.43Å; D226-Y230 WeakPolarHBondContact O-CA 3.36Å; D226-Y230 PolarHBondContact O-N 2.99Å; P227-Y230 WeakPolarHBondContact O-CE2 3.45Å
231S90.5Very high91.5Very high59 Ų5949.6 Ų49.641%0.41325%0.253SS..  trans-72.9155.5-179.169.60000111.9L225 D226 T229 V233L225-S231 CarbonylContact C-O 3.55Å; L225-S231 WeakPolarHBondContact CA-O 3.25Å; D226-S231 PolarHBondContact N-O 2.9Å; T229-S231 PolarHBondContact O-N 2.97Å; T229-S231 VanDerWaalsContact OG1-CB 3.28Å; T229-S231 WeakPolarHBondContact OG1-CB 3.29Å; T229-S231 PolarHBondContact OG1-N 3.15Å; T229-S231 PolarHBondContact OG1-OG 3.27Å; S231-V233 PolarHBondContact O-N 2.96Å
232M91.5Very high91.4Very high104 Ų10454.9 Ų54.951%0.51227%0.271SS..EExtended strand (participates in β ladder)trans-81.5106.4-177.1178.5-176.2-73.900110.7E223 L225 V235E223-M232 VanDerWaalsContact OE1-CE 3.31Å; E223-M232 WeakPolarHBondContact OE1-CE 3Å; L225-M232 HydrophobicContact CD2-CB 4.38Å; M232-V235 HydrophobicContact CE-CG2 3.99Å; M232-V235 HydrophobicContact CG-CG2 3.67Å; M232-V235 HydrophobicContact SD-CG2 3.28Å; M232-V235 WeakPolarHBondContact SD-CG2 3.11Å
233V93.1Very high91.2Very high49 Ų4959 Ų5930%0.29729%0.288SS..EExtended strand (participates in β ladder)trans-84.6-43.6-178.8-1770000111.3L209 Y213 L224 D226 S231L209-V233 HydrophobicContact CD2-CG1 3.76Å; Y213-V233 HydrophobicContact CD1-CG2 4.44Å; Y213-V233 HydrophobicContact CE1-CG1 4.26Å; Y213-V233 HydrophobicContact CE1-CG2 4.2Å; L224-V233 HydrophobicContact CD2-CB 4.34Å; L224-V233 HydrophobicContact CD2-CG1 4.25Å; L224-V233 PolarHBondContact O-N 3.27Å; D226-V233 HydrophobicContact CB-CG2 3.76Å; S231-V233 PolarHBondContact O-N 2.96Å
234K93Very high91.1Very high51 Ų5158.7 Ų58.722%0.22229%0.287CS..EExtended strand (participates in β ladder)trans-149.3155.6176.3-71.3-61.8172.2174.50112.7L209 E223 L224 W236 D261L209-K234 HydrophobicContact CD1-CG 4.08Å; E223-K234 WeakPolarHBondContact CA-O 3.33Å; L224-K234 HydrophobicContact CB-CB 4.12Å; L224-K234 PolarHBondContact N-O 3.44Å; L224-K234 PolarHBondContact O-N 2.97Å; K234-W236 HydrophobicContact CB-CH2 3.97Å; K234-W236 HydrophobicContact CB-CZ2 3.59Å; K234-W236 HydrophobicContact CG-CZ2 3.99Å; K234-D261 WeakPolarHBondContact CE-OD1 3.45Å; K234-D261 IonicContact NZ-OD1 2.56Å; K234-D261 PolarHBondContact NZ-OD1 2.79Å
235V93.5Very high90.9Very high34 Ų3458.7 Ų58.721%0.20629%0.287CS..EExtended strand (participates in β ladder)trans-132.6130.4173.6-1740000110.1A221 F222 E223 M232A221-V235 HydrophobicContact CB-CG1 3.61Å; F222-V235 WeakPolarHBondContact O-CA 3.41Å; E223-V235 HydrophobicContact CG-CG1 4.34Å; E223-V235 HydrophobicContact CG-CG2 4.27Å; M232-V235 HydrophobicContact CE-CG2 3.99Å; M232-V235 HydrophobicContact CG-CG2 3.67Å; M232-V235 HydrophobicContact SD-CG2 3.28Å; M232-V235 WeakPolarHBondContact SD-CG2 3.11Å
236W94.1Very high90.8Very high0 Ų058.8 Ų58.80%029%0.288CS..EExtended strand (participates in β ladder)trans-120.395.5174.1-55.1-60.3000109.7L209 L215 A221 F222 L224 K234 I238 L253 T255 D261 F266 F268L209-W236 HydrophobicContact CD1-CZ2 4.4Å; L215-W236 HydrophobicContact CD1-CZ3 4.49Å; A221-W236 WeakPolarHBondContact CA-O 3.45Å; F222-W236 HydrophobicContact CB-CE3 4.18Å; F222-W236 PolarHBondContact N-O 2.86Å; F222-W236 PolarHBondContact O-N 3.12Å; L224-W236 HydrophobicContact CB-CH2 3.91Å; L224-W236 HydrophobicContact CB-CZ3 3.94Å; L224-W236 HydrophobicContact CD1-CH2 4.47Å; L224-W236 HydrophobicContact CD2-CH2 4.14Å; L224-W236 HydrophobicContact CG-CH2 4.41Å; K234-W236 HydrophobicContact CB-CH2 3.97Å; K234-W236 HydrophobicContact CB-CZ2 3.59Å; K234-W236 HydrophobicContact CG-CZ2 3.99Å; W236-I238 PolarHBondContact O-N 2.82Å; W236-L253 HydrophobicContact CB-CD2 4.05Å; W236-L253 HydrophobicContact CD2-CD2 3.73Å; W236-L253 HydrophobicContact CE3-CD2 3.49Å; W236-L253 VanDerWaalsContact CE3-CD2 3.49Å; W236-L253 HydrophobicContact CG-CD2 3.99Å; W236-L253 HydrophobicContact CZ3-CD2 4.21Å; W236-T255 HydrophobicContact CB-CG2 4.48Å; W236-T255 HydrophobicContact CG-CG2 4.11Å; W236-D261 PolarHBondContact NE1-OD2 3.31Å; W236-D261 VanDerWaalsContact NE1-OD2 3.09Å; W236-F266 AromaticContact CE2-CE2 3.94Å; W236-F266 HydrophobicContact CZ2-CD1 4.31Å; W236-F266 HydrophobicContact CZ2-CD2 4.26Å; W236-F266 HydrophobicContact CZ2-CE1 4.14Å; W236-F266 HydrophobicContact CZ2-CE2 4.09Å; W236-F266 HydrophobicContact CZ2-CG 4.37Å; W236-F266 HydrophobicContact CZ2-CZ 4.03Å; W236-F266 AromaticContact NE1-CE2 3.77Å; W236-F268 HydrophobicContact CH2-CE1 4.22Å; W236-F268 AromaticContact CH2-CZ 3.68Å; W236-F268 HydrophobicContact CH2-CZ 3.68Å; W236-F268 HydrophobicContact CZ3-CE1 4.28Å; W236-F268 HydrophobicContact CZ3-CE2 4.48Å; W236-F268 AromaticContact CZ3-CZ 3.6Å; W236-F268 HydrophobicContact CZ3-CZ 3.6Å
237P91.5Very high90.6Very high29 Ų2958.4 Ų58.419%0.18828%0.284CS..EExtended strand (participates in β ladder)trans-58.3130.7177.9-25.435.3000111.4N220 K239 Y240 A241N220-P237 WeakPolarHBondContact O-CA 3.03Å; P237-K239 HydrophobicContact CB-CD 4.33Å; P237-K239 HydrophobicContact CB-CG 3.69Å; P237-K239 PolarHBondContact O-N 3.49Å; P237-K239 VanDerWaalsContact O-N 3.09Å; P237-Y240 HydrophobicContact CB-CD2 3.96Å; P237-Y240 HydrophobicContact CB-CE2 4.47Å; P237-Y240 HydrophobicContact CG-CD2 4.07Å; P237-Y240 HydrophobicContact CG-CE2 4.44Å; P237-Y240 PolarHBondContact O-N 2.67Å; P237-A241 PolarHBondContact O-N 2.99Å
238I89.1Confident90.4Very high21 Ų2160.3 Ų60.311%0.10830%0.297CS..G310 helixtrans-59.3-31.3-174.3-66.9159.7000111.1E219 N220 F222 W236 Y240 A241 F244 M284 L287E219-I238 WeakPolarHBondContact O-CD1 3.1Å; N220-I238 PolarHBondContact O-N 3.05Å; F222-I238 HydrophobicContact CD2-CG1 4.19Å; F222-I238 HydrophobicContact CE2-CG1 3.85Å; F222-I238 HydrophobicContact CZ-CG1 4.24Å; W236-I238 PolarHBondContact O-N 2.82Å; I238-Y240 PolarHBondContact O-N 2.68Å; I238-A241 PolarHBondContact O-N 3.18Å; I238-F244 HydrophobicContact CG2-CE1 4.28Å; I238-F244 HydrophobicContact CG2-CZ 4.36Å; I238-M284 HydrophobicContact CD1-CE 3.57Å; I238-M284 HydrophobicContact CD1-SD 4.44Å; I238-M284 HydrophobicContact CG1-CE 4Å; I238-M284 HydrophobicContact CG2-CE 4.12Å; I238-M284 HydrophobicContact CG2-SD 4.07Å; I238-L287 HydrophobicContact CD1-CD1 3.95Å
239K87.2Confident90.4Very high129 Ų12960 Ų6056%0.56129%0.29SS*.G310 helixtrans-56.4-17171.757.2165.7176166.40115.5P237P237-K239 HydrophobicContact CB-CD 4.33Å; P237-K239 HydrophobicContact CB-CG 3.69Å; P237-K239 PolarHBondContact O-N 3.49Å; P237-K239 VanDerWaalsContact O-N 3.09Å
240Y89.6Confident90.5Very high87 Ų8760.9 Ų60.934%0.34128%0.282SS..G310 helixtrans-119.6-3.5-178.9-55.4-36.2000113P237 I238 R242 G256 G258P237-Y240 HydrophobicContact CB-CD2 3.96Å; P237-Y240 HydrophobicContact CB-CE2 4.47Å; P237-Y240 HydrophobicContact CG-CD2 4.07Å; P237-Y240 HydrophobicContact CG-CE2 4.44Å; P237-Y240 PolarHBondContact O-N 2.67Å; I238-Y240 PolarHBondContact O-N 2.68Å; Y240-R242 PolarHBondContact O-N 3.41Å; Y240-R242 VanDerWaalsContact O-N 3.13Å; Y240-G256 WeakPolarHBondContact O-CA 3.29Å; Y240-G256 PolarHBondContact O-N 3.23Å; Y240-G258 WeakPolarHBondContact CD2-O 3.44Å; Y240-G258 WeakPolarHBondContact CE2-O 3.48Å
241A89.3Confident90.8Very high0 Ų053.5 Ų53.50%025%0.253CS..  trans-80.589.2176.300000110.5F222 P237 I238 K243 F244 L253 I254 S328F222-A241 HydrophobicContact CE2-CB 4.38Å; P237-A241 PolarHBondContact O-N 2.99Å; I238-A241 PolarHBondContact O-N 3.18Å; A241-K243 VanDerWaalsContact C-N 3.26Å; A241-K243 PolarHBondContact O-N 2.83Å; A241-K243 VanDerWaalsContact O-N 3.15Å; A241-F244 HydrophobicContact CB-CD1 3.85Å; A241-F244 HydrophobicContact CB-CE1 4.22Å; A241-L253 HydrophobicContact CB-CD1 3.74Å; A241-I254 CarbonylContact C-O 3.59Å; A241-S328 WeakPolarHBondContact O-CB 3.48Å; A241-S328 PolarHBondContact O-OG 3.34Å; A241-S328 VanDerWaalsContact O-OG 3.13Å
242R89.1Confident91Very high121 Ų12152.7 Ų52.746%0.45724%0.242SC..  trans-44.6-49.1-176.4-75.6175.3162.9-164.1-8.7113.2Y240 I254 S327 S328Y240-R242 PolarHBondContact O-N 3.41Å; Y240-R242 VanDerWaalsContact O-N 3.13Å; R242-I254 HydrophobicContact CB-CG2 4.23Å; R242-I254 WeakPolarHBondContact CB-O 3.31Å; R242-I254 PolarHBondContact N-O 2.91Å; R242-S327 VanDerWaalsContact O-CA 3.31Å; R242-S327 WeakPolarHBondContact O-CA 3.31Å; R242-S327 PolarHBondContact O-OG 2.95Å; R242-S328 PolarHBondContact O-N 2.82Å
243K89.9Confident91.2Very high86 Ų8647.8 Ų47.837%0.37422%0.217SC..EExtended strand (participates in β ladder)trans-146.5149.6173.2-66.9-171.3178.6-174.90110.2A241 I254 F326A241-K243 VanDerWaalsContact C-N 3.26Å; A241-K243 PolarHBondContact O-N 2.83Å; A241-K243 VanDerWaalsContact O-N 3.15Å; K243-I254 HydrophobicContact CB-CB 4.36Å; K243-I254 HydrophobicContact CB-CD1 4.29Å; K243-I254 PolarHBondContact N-O 2.88Å; K243-I254 PolarHBondContact O-N 3.44Å; K243-F326 VanDerWaalsContact CA-O 3.22Å; K243-F326 WeakPolarHBondContact CA-O 3.47Å
244F92.1Very high91.1Very high5 Ų548.1 Ų48.12%0.02222%0.217CC..EExtended strand (participates in β ladder)trans-153.5155168.254.4-88000111.1F222 I238 A241 F251 Y252 L253 L280 M284 W325 F326F222-F244 HydrophobicContact CE2-CD1 4.12Å; F222-F244 HydrophobicContact CE2-CD2 4.38Å; F222-F244 HydrophobicContact CE2-CE1 4.33Å; F222-F244 HydrophobicContact CE2-CG 4.16Å; F222-F244 HydrophobicContact CZ-CD1 4.34Å; F222-F244 AromaticContact CZ-CD2 3.81Å; F222-F244 HydrophobicContact CZ-CD2 3.81Å; F222-F244 HydrophobicContact CZ-CE1 4.43Å; F222-F244 AromaticContact CZ-CE2 3.91Å; F222-F244 HydrophobicContact CZ-CE2 3.91Å; F222-F244 HydrophobicContact CZ-CG 4.04Å; F222-F244 HydrophobicContact CZ-CZ 4.23Å; I238-F244 HydrophobicContact CG2-CE1 4.28Å; I238-F244 HydrophobicContact CG2-CZ 4.36Å; A241-F244 HydrophobicContact CB-CD1 3.85Å; A241-F244 HydrophobicContact CB-CE1 4.22Å; F244-F251 HydrophobicContact CB-CE2 3.88Å; F244-F251 HydrophobicContact CB-CZ 4.07Å; F244-F251 HydrophobicContact CD2-CE2 4.21Å; F244-F251 HydrophobicContact CG-CE2 4.47Å; F244-Y252 CarbonylContact C-O 3.49Å; F244-Y252 WeakPolarHBondContact CA-O 3.31Å; F244-Y252 WeakPolarHBondContact CB-O 3.47Å; F244-L253 HydrophobicContact CB-CD1 3.97Å; F244-L280 HydrophobicContact CD2-CD1 4.24Å; F244-L280 HydrophobicContact CD2-CD2 4.28Å; F244-L280 HydrophobicContact CE2-CD1 4.01Å; F244-L280 HydrophobicContact CE2-CG 4.47Å; F244-M284 HydrophobicContact CE2-CE 3.58Å; F244-M284 HydrophobicContact CE2-CG 3.97Å; F244-M284 HydrophobicContact CE2-SD 3.93Å; F244-M284 HydrophobicContact CZ-CE 3.51Å; F244-M284 HydrophobicContact CZ-CG 4.1Å; F244-M284 HydrophobicContact CZ-SD 3.53Å; F244-M284 VanDerWaalsContact CZ-SD 3.53Å; F244-W325 WeakPolarHBondContact O-CA 3.22Å; F244-F326 HydrophobicContact CD1-CB 4.32Å; F244-F326 HydrophobicContact CD2-CB 4Å; F244-F326 AromaticContact CD2-CD2 3.72Å; F244-F326 HydrophobicContact CD2-CD2 3.72Å; F244-F326 HydrophobicContact CD2-CG 4.19Å; F244-F326 HydrophobicContact CE1-CB 3.85Å; F244-F326 HydrophobicContact CE2-CB 3.49Å; F244-F326 VanDerWaalsContact CE2-CB 3.49Å; F244-F326 HydrophobicContact CE2-CD1 4.45Å; F244-F326 AromaticContact CE2-CD2 3.29Å; F244-F326 HydrophobicContact CE2-CD2 3.29Å; F244-F326 HydrophobicContact CE2-CE2 4.1Å; F244-F326 AromaticContact CE2-CG 3.5Å; F244-F326 HydrophobicContact CE2-CG 3.5Å; F244-F326 VanDerWaalsContact CE2-CG 3.5Å; F244-F326 HydrophobicContact CG-CB 4.38Å; F244-F326 HydrophobicContact CZ-CB 3.4Å; F244-F326 HydrophobicContact CZ-CD2 4.07Å; F244-F326 AromaticContact CZ-CG 3.77Å; F244-F326 HydrophobicContact CZ-CG 3.77Å; F244-F326 PolarHBondContact N-O 3.37Å; F244-F326 PolarHBondContact O-N 3.18Å
245G90.5Very high91.1Very high0 Ų045.8 Ų45.80%021%0.207CC..EExtended strand (participates in β ladder)trans-175164.7-176.500000113.5F251 Y252 C324G245-F251 WeakPolarHBondContact O-CA 3.12Å; G245-F251 WeakPolarHBondContact O-CD2 3.49Å; G245-Y252 PolarHBondContact N-O 3.33Å; G245-Y252 PolarHBondContact O-N 2.89Å; G245-C324 WeakPolarHBondContact CA-O 3.45Å
246V91.5Very high90.8Very high4 Ų444.5 Ų44.52%0.02420%0.2CC..EExtended strand (participates in β ladder)trans-112.7132.9179-175.80000109.3R250 F251 A273 F276 Q277 L280V246-R250 WeakPolarHBondContact CA-O 3.35Å; V246-F251 HydrophobicContact CG2-CD2 4.05Å; V246-A273 HydrophobicContact CG1-CB 4.41Å; V246-F276 HydrophobicContact CG2-CD1 3.72Å; V246-F276 HydrophobicContact CG2-CE1 3.83Å; V246-Q277 HydrophobicContact CB-CB 4.24Å; V246-Q277 HydrophobicContact CB-CG 4.22Å; V246-Q277 HydrophobicContact CG1-CB 4.34Å; V246-Q277 HydrophobicContact CG2-CB 4.09Å; V246-Q277 HydrophobicContact CG2-CG 4.32Å; V246-L280 HydrophobicContact CG2-CD2 4.09Å
247Y87.9Confident90.5Very high31 Ų3148.9 Ų48.912%0.12223%0.231CC..EExtended strand (participates in β ladder)trans-154.2128.4-178.8-178.9-97000110.9K249 R250 Y252 H323 S735 V737Y247-K249 PolarHBondContact O-N 3.47Å; Y247-R250 PolarHBondContact N-O 3.49Å; Y247-R250 WeakPolarHBondContact O-CA 3.35Å; Y247-R250 WeakPolarHBondContact O-CB 3.48Å; Y247-R250 PolarHBondContact O-N 2.95Å; Y247-R250 VanDerWaalsContact O-O 3.1Å; Y247-Y252 HydrophobicContact CD1-CE2 4.5Å; Y247-H323 HydrophobicContact CD2-CB 4.49Å; Y247-H323 AromaticContact CD2-CE1 3.82Å; Y247-H323 AromaticContact CD2-CG 3.82Å; Y247-H323 AromaticContact CD2-ND1 3.55Å; Y247-H323 AromaticContact CE2-CE1 3.9Å; Y247-H323 AromaticContact CE2-NE2 3.96Å; Y247-S735 WeakPolarHBondContact OH-CB 3.46Å; Y247-S735 PolarHBondContact OH-O 3.07Å; Y247-S735 PolarHBondContact OH-OG 2.93Å; Y247-S735 VanDerWaalsContact OH-OG 3.04Å; Y247-V737 HydrophobicContact CD1-CG2 4.45Å; Y247-V737 HydrophobicContact CD2-CG2 3.91Å; Y247-V737 HydrophobicContact CE1-CG2 4.02Å; Y247-V737 HydrophobicContact CE2-CB 4.46Å; Y247-V737 HydrophobicContact CE2-CG2 3.41Å; Y247-V737 VanDerWaalsContact CE2-CG2 3.41Å; Y247-V737 HydrophobicContact CG-CG2 4.38Å; Y247-V737 VanDerWaalsContact CZ-CG2 3.44Å
248S86.4Confident90.2Very high67 Ų6749.2 Ų49.247%0.46924%0.239SC..THydrogen-bonded Turntrans3964.8179.4-159.10000114.1R250S248-R250 PolarHBondContact O-N 3.21Å
249K90.2Very high90.2Very high135 Ų13548.5 Ų48.559%0.58724%0.237SC*.THydrogen-bonded Turntrans56.97.9-176-57.5-174.7-177179.90116.8Y247 L269 I270 A273Y247-K249 PolarHBondContact O-N 3.47Å; K249-L269 HydrophobicContact CB-CD1 4.31Å; K249-I270 PolarHBondContact O-N 3.06Å; K249-A273 HydrophobicContact CB-CB 4.39Å; K249-A273 HydrophobicContact CG-CB 4.31Å
250R92.4Very high90.1Very high111 Ų11150.8 Ų50.842%0.41925%0.249SC..EExtended strand (participates in β ladder)trans-111.6133.4177.6-64.7167.8-177158.60111I199 V246 Y247 S248 Y252 I267 F268 L269I199-R250 HydrophobicContact CD1-CG 4.11Å; V246-R250 WeakPolarHBondContact CA-O 3.35Å; Y247-R250 PolarHBondContact N-O 3.49Å; Y247-R250 WeakPolarHBondContact O-CA 3.35Å; Y247-R250 WeakPolarHBondContact O-CB 3.48Å; Y247-R250 PolarHBondContact O-N 2.95Å; Y247-R250 VanDerWaalsContact O-O 3.1Å; S248-R250 PolarHBondContact O-N 3.21Å; R250-Y252 HydrophobicContact CB-CD2 4.26Å; R250-Y252 HydrophobicContact CB-CE2 3.53Å; R250-I267 HydrophobicContact CB-CG2 4.12Å; R250-I267 HydrophobicContact CG-CG2 4.41Å; R250-F268 CarbonylContact C-O 3.53Å; R250-F268 VanDerWaalsContact CA-O 3.26Å; R250-F268 WeakPolarHBondContact CA-O 3.49Å; R250-L269 HydrophobicContact CG-CD1 4.1Å
251F94.9Very high89.9Confident0 Ų048 Ų480%024%0.24CC..EExtended strand (participates in β ladder)trans-94.8127.6167172.8-122.1000109.4L215 F222 F244 G245 V246 L253 I267 F268 I270 F276 L280L215-F251 HydrophobicContact CD2-CD1 3.68Å; L215-F251 HydrophobicContact CD2-CE1 3.91Å; F222-F251 HydrophobicContact CD1-CE1 4.43Å; F222-F251 HydrophobicContact CD1-CZ 4.18Å; F222-F251 HydrophobicContact CE1-CE1 4.48Å; F222-F251 AromaticContact CE1-CZ 3.82Å; F222-F251 HydrophobicContact CE1-CZ 3.82Å; F222-F251 HydrophobicContact CE2-CZ 4.36Å; F222-F251 AromaticContact CZ-CZ 3.91Å; F222-F251 HydrophobicContact CZ-CZ 3.91Å; F244-F251 HydrophobicContact CB-CE2 3.88Å; F244-F251 HydrophobicContact CB-CZ 4.07Å; F244-F251 HydrophobicContact CD2-CE2 4.21Å; F244-F251 HydrophobicContact CG-CE2 4.47Å; G245-F251 WeakPolarHBondContact O-CA 3.12Å; G245-F251 WeakPolarHBondContact O-CD2 3.49Å; V246-F251 HydrophobicContact CG2-CD2 4.05Å; F251-L253 HydrophobicContact CE1-CB 4.09Å; F251-L253 HydrophobicContact CZ-CB 4.26Å; F251-I267 WeakPolarHBondContact O-CA 2.97Å; F251-F268 HydrophobicContact CB-CB 4.38Å; F251-F268 AromaticContact CD1-CD2 3.57Å; F251-F268 HydrophobicContact CD1-CD2 3.57Å; F251-F268 HydrophobicContact CD1-CE2 4.15Å; F251-F268 HydrophobicContact CD1-CG 4.34Å; F251-F268 HydrophobicContact CE1-CD2 4.19Å; F251-F268 HydrophobicContact CE1-CE2 4.32Å; F251-F268 HydrophobicContact CG-CD2 4.48Å; F251-F268 PolarHBondContact N-O 2.73Å; F251-F268 PolarHBondContact O-N 3.33Å; F251-I270 HydrophobicContact CB-CD1 3.54Å; F251-I270 HydrophobicContact CB-CG1 4.21Å; F251-I270 HydrophobicContact CG-CD1 4.38Å; F251-F276 HydrophobicContact CB-CE1 3.93Å; F251-F276 HydrophobicContact CB-CZ 4.28Å; F251-F276 HydrophobicContact CD1-CE1 4.14Å; F251-F276 AromaticContact CD1-CZ 3.77Å; F251-F276 HydrophobicContact CD1-CZ 3.77Å; F251-F276 AromaticContact CD2-CE1 3.53Å; F251-F276 HydrophobicContact CD2-CE1 3.53Å; F251-F276 AromaticContact CD2-CZ 3.95Å; F251-F276 HydrophobicContact CD2-CZ 3.95Å; F251-F276 HydrophobicContact CE1-CZ 4.03Å; F251-F276 HydrophobicContact CE2-CE1 4Å; F251-F276 HydrophobicContact CE2-CZ 4.17Å; F251-F276 AromaticContact CG-CE1 3.61Å; F251-F276 HydrophobicContact CG-CE1 3.61Å; F251-F276 AromaticContact CG-CZ 3.74Å; F251-F276 HydrophobicContact CG-CZ 3.74Å; F251-F276 HydrophobicContact CZ-CZ 4.22Å; F251-L280 HydrophobicContact CE2-CD2 4.12Å
252Y94.6Very high89.8Confident43 Ų4348.9 Ų48.917%0.16925%0.249CC..EExtended strand (participates in β ladder)trans-108.4129.6180-65.4-102.4000108.6F244 G245 Y247 R250 L265 I267 W325F244-Y252 CarbonylContact C-O 3.49Å; F244-Y252 WeakPolarHBondContact CA-O 3.31Å; F244-Y252 WeakPolarHBondContact CB-O 3.47Å; G245-Y252 PolarHBondContact N-O 3.33Å; G245-Y252 PolarHBondContact O-N 2.89Å; Y247-Y252 HydrophobicContact CD1-CE2 4.5Å; R250-Y252 HydrophobicContact CB-CD2 4.26Å; R250-Y252 HydrophobicContact CB-CE2 3.53Å; Y252-L265 HydrophobicContact CD1-CD1 4.42Å; Y252-I267 HydrophobicContact CD1-CD1 4.09Å; Y252-I267 HydrophobicContact CD1-CG1 3.82Å; Y252-I267 HydrophobicContact CD1-CG2 4.19Å; Y252-I267 HydrophobicContact CE1-CD1 3.82Å; Y252-I267 HydrophobicContact CE1-CG1 4Å; Y252-I267 HydrophobicContact CE1-CG2 3.96Å; Y252-W325 HydrophobicContact CD2-CH2 4.44Å; Y252-W325 HydrophobicContact CG-CH2 4.06Å
253L94.4Very high89.9Confident0 Ų050.8 Ų50.80%026%0.256CS..EExtended strand (participates in β ladder)trans-129.6114.4179.1175.361000110F222 W236 A241 F244 F251 T255 L265 F266 F268F222-L253 HydrophobicContact CD2-CD1 3.97Å; F222-L253 HydrophobicContact CD2-CD2 4.26Å; F222-L253 HydrophobicContact CE2-CD1 3.97Å; W236-L253 HydrophobicContact CB-CD2 4.05Å; W236-L253 HydrophobicContact CD2-CD2 3.73Å; W236-L253 HydrophobicContact CE3-CD2 3.49Å; W236-L253 VanDerWaalsContact CE3-CD2 3.49Å; W236-L253 HydrophobicContact CG-CD2 3.99Å; W236-L253 HydrophobicContact CZ3-CD2 4.21Å; A241-L253 HydrophobicContact CB-CD1 3.74Å; F244-L253 HydrophobicContact CB-CD1 3.97Å; F251-L253 HydrophobicContact CE1-CB 4.09Å; F251-L253 HydrophobicContact CZ-CB 4.26Å; L253-T255 HydrophobicContact CG-CG2 4.41Å; L253-L265 WeakPolarHBondContact O-CA 3.44Å; L253-F266 HydrophobicContact CB-CB 4.41Å; L253-F266 PolarHBondContact N-O 2.9Å; L253-F266 PolarHBondContact O-N 2.93Å; L253-F268 HydrophobicContact CB-CE2 4.13Å; L253-F268 HydrophobicContact CD2-CE2 4.27Å
254I92.9Very high89.8Confident57 Ų5747.4 Ų47.429%0.29225%0.246SC..EExtended strand (participates in β ladder)trans-103.8109.9177.1-58.5178.8000108.6A241 R242 K243 G264 L265A241-I254 CarbonylContact C-O 3.59Å; R242-I254 HydrophobicContact CB-CG2 4.23Å; R242-I254 WeakPolarHBondContact CB-O 3.31Å; R242-I254 PolarHBondContact N-O 2.91Å; K243-I254 HydrophobicContact CB-CB 4.36Å; K243-I254 HydrophobicContact CB-CD1 4.29Å; K243-I254 PolarHBondContact N-O 2.88Å; K243-I254 PolarHBondContact O-N 3.44Å; I254-G264 CarbonylContact C-O 3.55Å; I254-G264 WeakPolarHBondContact CA-O 3.38Å; I254-L265 HydrophobicContact CG1-CD1 3.78Å
255T91.9Very high89.9Confident2 Ų250.2 Ų50.21%0.01226%0.261CS..EExtended strand (participates in β ladder)trans-83.7148.217960.10000112.1W236 L253 C259 G262 R263 G264 F266W236-T255 HydrophobicContact CB-CG2 4.48Å; W236-T255 HydrophobicContact CG-CG2 4.11Å; L253-T255 HydrophobicContact CG-CG2 4.41Å; T255-C259 HydrophobicContact CG2-CB 4.33Å; T255-G262 WeakPolarHBondContact CB-O 3.18Å; T255-G262 PolarHBondContact OG1-O 3.02Å; T255-R263 WeakPolarHBondContact O-CA 3.46Å; T255-G264 PolarHBondContact N-O 2.95Å; T255-G264 PolarHBondContact O-N 3.19Å; T255-G264 PolarHBondContact OG1-N 3.49Å; T255-F266 HydrophobicContact CG2-CD2 4.09Å; T255-F266 HydrophobicContact CG2-CE2 3.81Å
256G87.6Confident90.1Very high6 Ų650.3 Ų50.36%0.06226%0.261CS..  trans-94.9171167.900000112.1Y240 G258 C259 G262Y240-G256 WeakPolarHBondContact O-CA 3.29Å; Y240-G256 PolarHBondContact O-N 3.23Å; G256-G258 PolarHBondContact O-N 3.15Å; G256-C259 PolarHBondContact O-N 3.34Å; G256-C259 VanDerWaalsContact O-N 3.1Å; G256-G262 CarbonylContact O-C 3.51Å; G256-G262 VanDerWaalsContact O-O 3.09Å
257S87.9Confident90.2Very high93 Ų9351.3 Ų51.365%0.6527%0.267SS*.THydrogen-bonded Turntrans-67.413.8177.950.70000115.1
258G84.8Confident90.6Very high35 Ų3549.9 Ų49.936%0.36126%0.261SS..THydrogen-bonded Turntrans-100.6-15.4169.800000113.3Y240 G256Y240-G258 WeakPolarHBondContact CD2-O 3.44Å; Y240-G258 WeakPolarHBondContact CE2-O 3.48Å; G256-G258 PolarHBondContact O-N 3.15Å
259C88.2Confident91Very high7 Ų749.8 Ų49.85%0.04726%0.255CS..SBendtrans-71.1151.5166.4-64.60000109.6T255 G256 D261 G262T255-C259 HydrophobicContact CG2-CB 4.33Å; G256-C259 PolarHBondContact O-N 3.34Å; G256-C259 VanDerWaalsContact O-N 3.1Å; C259-D261 VanDerWaalsContact C-N 3.33Å; C259-D261 PolarHBondContact O-N 2.85Å; C259-G262 WeakPolarHBondContact O-CA 3.26Å; C259-G262 PolarHBondContact O-N 3.17Å
260E85.6Confident91.1Very high177 Ų17743.5 Ų43.583%0.82723%0.227SC*.THydrogen-bonded Turntrans-62.2-39.8-177.6-68163.3-168.100111.8G262E260-G262 PolarHBondContact O-N 2.69Å
261D85.3Confident90.8Very high27 Ų2742.6 Ų42.614%0.14423%0.231CC..THydrogen-bonded Turntrans-72.6-0.5172.6-43.5-55.6000113.9L207 K234 W236 C259L207-D261 HydrophobicContact CD1-CB 3.75Å; L207-D261 VanDerWaalsContact CD1-CG 3.41Å; L207-D261 HydrophobicContact CD2-CB 4.19Å; L207-D261 WeakPolarHBondContact CD2-OD1 3.48Å; K234-D261 WeakPolarHBondContact CE-OD1 3.45Å; K234-D261 IonicContact NZ-OD1 2.56Å; K234-D261 PolarHBondContact NZ-OD1 2.79Å; W236-D261 PolarHBondContact NE1-OD2 3.31Å; W236-D261 VanDerWaalsContact NE1-OD2 3.09Å; C259-D261 VanDerWaalsContact C-N 3.33Å; C259-D261 PolarHBondContact O-N 2.85Å
262G87.9Confident90.4Very high19 Ų1947.9 Ų47.920%0.19626%0.259CS..  trans68.9-146.9-174.300000114.4T255 G256 C259 E260T255-G262 WeakPolarHBondContact CB-O 3.18Å; T255-G262 PolarHBondContact OG1-O 3.02Å; G256-G262 CarbonylContact O-C 3.51Å; G256-G262 VanDerWaalsContact O-O 3.09Å; C259-G262 WeakPolarHBondContact O-CA 3.26Å; C259-G262 PolarHBondContact O-N 3.17Å; E260-G262 PolarHBondContact O-N 2.69Å
263R89.9Confident90Very high161 Ų16146.2 Ų46.261%0.60826%0.255SS*.SBendtrans-82.8130.3-176.2-59.6176.3-62.1-175.54110.5K203 T255K203-R263 WeakPolarHBondContact CE-O 3.39Å; T255-R263 WeakPolarHBondContact O-CA 3.46Å
264G89.6Confident89.6Confident15 Ų1552 Ų5216%0.15529%0.285CS..EExtended strand (participates in β ladder)trans-166.1179177.400000114.1I254 T255I254-G264 CarbonylContact C-O 3.55Å; I254-G264 WeakPolarHBondContact CA-O 3.38Å; T255-G264 PolarHBondContact N-O 2.95Å; T255-G264 PolarHBondContact O-N 3.19Å; T255-G264 PolarHBondContact OG1-N 3.49Å
265L92.6Very high89.4Confident65 Ų6555.5 Ų55.534%0.3430%0.298SS..EExtended strand (participates in β ladder)trans-124.6126.8170.6168.263.9000108T201 Y252 L253 I254 I267T201-L265 VanDerWaalsContact CB-O 3.3Å; T201-L265 WeakPolarHBondContact CB-O 3.26Å; T201-L265 HydrophobicContact CG2-CG 4.45Å; T201-L265 WeakPolarHBondContact CG2-O 3Å; T201-L265 PolarHBondContact OG1-O 3.46Å; Y252-L265 HydrophobicContact CD1-CD1 4.42Å; L253-L265 WeakPolarHBondContact O-CA 3.44Å; I254-L265 HydrophobicContact CG1-CD1 3.78Å; L265-I267 HydrophobicContact CD1-CG1 4.06Å; L265-I267 HydrophobicContact CD2-CD1 4.15Å; L265-I267 HydrophobicContact CD2-CG1 4.33Å; L265-I267 HydrophobicContact CG-CD1 4.4Å; L265-I267 HydrophobicContact CG-CG1 4.04Å
266F94.8Very high89.3Confident1 Ų155.4 Ų55.40%0.00430%0.298CS..EExtended strand (participates in β ladder)trans-113.6142.4168.4-57.5-82.6000109K203 L207 L209 W236 L253 T255 F268K203-F266 HydrophobicContact CB-CE1 4.41Å; K203-F266 HydrophobicContact CB-CZ 4.34Å; L207-F266 HydrophobicContact CD1-CE1 3.86Å; L207-F266 HydrophobicContact CD1-CZ 3.73Å; L209-F266 HydrophobicContact CD1-CE1 4.13Å; W236-F266 AromaticContact CE2-CE2 3.94Å; W236-F266 HydrophobicContact CZ2-CD1 4.31Å; W236-F266 HydrophobicContact CZ2-CD2 4.26Å; W236-F266 HydrophobicContact CZ2-CE1 4.14Å; W236-F266 HydrophobicContact CZ2-CE2 4.09Å; W236-F266 HydrophobicContact CZ2-CG 4.37Å; W236-F266 HydrophobicContact CZ2-CZ 4.03Å; W236-F266 AromaticContact NE1-CE2 3.77Å; L253-F266 HydrophobicContact CB-CB 4.41Å; L253-F266 PolarHBondContact N-O 2.9Å; L253-F266 PolarHBondContact O-N 2.93Å; T255-F266 HydrophobicContact CG2-CD2 4.09Å; T255-F266 HydrophobicContact CG2-CE2 3.81Å; F266-F268 HydrophobicContact CB-CD2 4.39Å; F266-F268 HydrophobicContact CB-CE2 3.48Å; F266-F268 VanDerWaalsContact CB-CE2 3.48Å; F266-F268 HydrophobicContact CB-CZ 3.61Å; F266-F268 HydrophobicContact CG-CZ 4.31Å
267I94.8Very high89.2Confident26 Ų2656.3 Ų56.313%0.13330%0.301CS..EExtended strand (participates in β ladder)trans-130.6123.9177.8-51.6173.1000107.8I199 T201 R250 F251 Y252 L265I199-I267 HydrophobicContact CB-CB 4.17Å; I199-I267 HydrophobicContact CB-CG2 4.3Å; I199-I267 HydrophobicContact CD1-CG2 3.95Å; I199-I267 HydrophobicContact CG1-CG2 4.44Å; I199-I267 PolarHBondContact N-O 3.05Å; T201-I267 HydrophobicContact CG2-CB 4.45Å; T201-I267 HydrophobicContact CG2-CD1 3.98Å; T201-I267 HydrophobicContact CG2-CG1 3.93Å; R250-I267 HydrophobicContact CB-CG2 4.12Å; R250-I267 HydrophobicContact CG-CG2 4.41Å; F251-I267 WeakPolarHBondContact O-CA 2.97Å; Y252-I267 HydrophobicContact CD1-CD1 4.09Å; Y252-I267 HydrophobicContact CD1-CG1 3.82Å; Y252-I267 HydrophobicContact CD1-CG2 4.19Å; Y252-I267 HydrophobicContact CE1-CD1 3.82Å; Y252-I267 HydrophobicContact CE1-CG1 4Å; Y252-I267 HydrophobicContact CE1-CG2 3.96Å; L265-I267 HydrophobicContact CD1-CG1 4.06Å; L265-I267 HydrophobicContact CD2-CD1 4.15Å; L265-I267 HydrophobicContact CD2-CG1 4.33Å; L265-I267 HydrophobicContact CG-CD1 4.4Å; L265-I267 HydrophobicContact CG-CG1 4.04Å
268F95.8Very high89.1Confident0 Ų055.7 Ų55.70%030%0.296CS..EExtended strand (participates in β ladder)trans-118.6124.6-176.5-53.1-91.1000109.2V196 Y197 I198 L215 L224 W236 R250 F251 L253 F266V196-F268 HydrophobicContact CB-CB 4.17Å; V196-F268 HydrophobicContact CG1-CB 4.46Å; V196-F268 HydrophobicContact CG2-CB 4.44Å; V196-F268 HydrophobicContact CG2-CD1 3.91Å; Y197-F268 CarbonylContact O-C 3.47Å; Y197-F268 WeakPolarHBondContact O-CA 3.44Å; I198-F268 HydrophobicContact CD1-CD1 4.4Å; I198-F268 HydrophobicContact CD1-CE1 3.94Å; I198-F268 HydrophobicContact CG1-CD1 3.75Å; I198-F268 HydrophobicContact CG1-CE1 3.79Å; L215-F268 HydrophobicContact CD2-CG 4.46Å; L224-F268 HydrophobicContact CD1-CE1 3.89Å; W236-F268 HydrophobicContact CH2-CE1 4.22Å; W236-F268 AromaticContact CH2-CZ 3.68Å; W236-F268 HydrophobicContact CH2-CZ 3.68Å; W236-F268 HydrophobicContact CZ3-CE1 4.28Å; W236-F268 HydrophobicContact CZ3-CE2 4.48Å; W236-F268 AromaticContact CZ3-CZ 3.6Å; W236-F268 HydrophobicContact CZ3-CZ 3.6Å; R250-F268 CarbonylContact C-O 3.53Å; R250-F268 VanDerWaalsContact CA-O 3.26Å; R250-F268 WeakPolarHBondContact CA-O 3.49Å; F251-F268 HydrophobicContact CB-CB 4.38Å; F251-F268 AromaticContact CD1-CD2 3.57Å; F251-F268 HydrophobicContact CD1-CD2 3.57Å; F251-F268 HydrophobicContact CD1-CE2 4.15Å; F251-F268 HydrophobicContact CD1-CG 4.34Å; F251-F268 HydrophobicContact CE1-CD2 4.19Å; F251-F268 HydrophobicContact CE1-CE2 4.32Å; F251-F268 HydrophobicContact CG-CD2 4.48Å; F251-F268 PolarHBondContact N-O 2.73Å; F251-F268 PolarHBondContact O-N 3.33Å; L253-F268 HydrophobicContact CB-CE2 4.13Å; L253-F268 HydrophobicContact CD2-CE2 4.27Å; F266-F268 HydrophobicContact CB-CD2 4.39Å; F266-F268 HydrophobicContact CB-CE2 3.48Å; F266-F268 VanDerWaalsContact CB-CE2 3.48Å; F266-F268 HydrophobicContact CB-CZ 3.61Å; F266-F268 HydrophobicContact CG-CZ 4.31Å
269L94.4Very high89.2Confident66 Ų6655.9 Ų55.935%0.34629%0.286SS..EExtended strand (participates in β ladder)trans-78.1133.3168.2-175.569.2000109.1V196 Y197 K249 R250V196-L269 VanDerWaalsContact CA-O 3.25Å; V196-L269 WeakPolarHBondContact CA-O 3.4Å; V196-L269 WeakPolarHBondContact CB-O 3.11Å; Y197-L269 PolarHBondContact N-O 3.42Å; Y197-L269 PolarHBondContact O-N 2.81Å; K249-L269 HydrophobicContact CB-CD1 4.31Å; R250-L269 HydrophobicContact CG-CD1 4.1Å
270I92.9Very high89.2Confident2 Ų255.5 Ų55.51%0.0128%0.284CS..EExtended strand (participates in β ladder)trans-131.4122-175.6-47-164.2000110V196 K249 F251 F276V196-I270 HydrophobicContact CG1-CD1 4.01Å; V196-I270 HydrophobicContact CG1-CG1 3.8Å; K249-I270 PolarHBondContact O-N 3.06Å; F251-I270 HydrophobicContact CB-CD1 3.54Å; F251-I270 HydrophobicContact CB-CG1 4.21Å; F251-I270 HydrophobicContact CG-CD1 4.38Å; I270-F276 HydrophobicContact CD1-CB 4.32Å; I270-F276 HydrophobicContact CD1-CD1 3.67Å; I270-F276 HydrophobicContact CD1-CD2 3.6Å; I270-F276 HydrophobicContact CD1-CE1 3.79Å; I270-F276 HydrophobicContact CD1-CE2 3.71Å; I270-F276 HydrophobicContact CD1-CG 3.58Å; I270-F276 HydrophobicContact CD1-CZ 3.81Å; I270-F276 HydrophobicContact CG2-CB 4.11Å; I270-F276 HydrophobicContact CG2-CG 4.4Å
271D86.9Confident89.3Confident93 Ų9350.4 Ų50.450%0.49726%0.259SS..THydrogen-bonded Turntrans-63.6-48.3-177.9-51-49.5000111.8A273D271-A273 PolarHBondContact O-N 3.24Å
272N85.2Confident89.3Confident111 Ų11154.9 Ų54.959%0.59427%0.274SS*.THydrogen-bonded Turntrans-99.354.5-177.6-73.4-74.2000111.8D274 K275 F276N272-D274 VanDerWaalsContact C-N 3.3Å; N272-D274 PolarHBondContact O-N 2.8Å; N272-K275 HydrophobicContact CB-CB 4.32Å; N272-K275 PolarHBondContact O-N 3.39Å; N272-K275 VanDerWaalsContact O-N 3.15Å; N272-F276 PolarHBondContact O-N 3.27Å
273A86.9Confident89Confident8 Ų854.1 Ų54.17%0.06627%0.265CS..Hα-helixtrans-54.2-39.7-173.700000113.9V246 K249 D271 F276 Q277V246-A273 HydrophobicContact CG1-CB 4.41Å; K249-A273 HydrophobicContact CB-CB 4.39Å; K249-A273 HydrophobicContact CG-CB 4.31Å; D271-A273 PolarHBondContact O-N 3.24Å; A273-F276 PolarHBondContact O-N 3.27Å; A273-Q277 VanDerWaalsContact O-CB 3.29Å; A273-Q277 WeakPolarHBondContact O-CB 3.5Å; A273-Q277 PolarHBondContact O-N 3.33Å
274D85.5Confident88.7Confident121 Ų12146.9 Ų46.965%0.64724%0.238SC*.Hα-helixtrans-67.2-38.6-179.8-54.6-57.9000112.6N272 S278N272-D274 VanDerWaalsContact C-N 3.3Å; N272-D274 PolarHBondContact O-N 2.8Å; D274-S278 VanDerWaalsContact O-CB 3.23Å; D274-S278 WeakPolarHBondContact O-CB 3.28Å; D274-S278 PolarHBondContact O-N 2.92Å; D274-S278 PolarHBondContact O-OG 3.09Å
275K87.9Confident88.3Confident130 Ų13050.3 Ų50.357%0.56525%0.249SC*.Hα-helixtrans-66.6-43.8174.4-172.4-179.6179-179.70110.4F194 N272 S278 R279F194-K275 HydrophobicContact CE1-CB 4.36Å; F194-K275 HydrophobicContact CE1-CD 4.36Å; F194-K275 HydrophobicContact CE1-CG 4.11Å; N272-K275 HydrophobicContact CB-CB 4.32Å; N272-K275 PolarHBondContact O-N 3.39Å; N272-K275 VanDerWaalsContact O-N 3.15Å; K275-S278 PolarHBondContact O-N 3.26Å; K275-R279 WeakPolarHBondContact O-CB 3.46Å; K275-R279 PolarHBondContact O-N 3.19Å
276F89.8Confident87.6Confident0 Ų051.3 Ų51.30%025%0.251CS..Hα-helixtrans-61.1-50.3176-179.6-87.2000111.6F194 L215 I217 V246 F251 I270 N272 A273 S278 R279 L280F194-F276 HydrophobicContact CB-CD2 4.16Å; F194-F276 HydrophobicContact CD1-CB 3.97Å; F194-F276 AromaticContact CD1-CD2 3.97Å; F194-F276 HydrophobicContact CD1-CD2 3.97Å; F194-F276 HydrophobicContact CD1-CG 4.48Å; F194-F276 AromaticContact CD2-CD2 3.67Å; F194-F276 HydrophobicContact CD2-CD2 3.67Å; F194-F276 HydrophobicContact CD2-CE2 4.23Å; F194-F276 HydrophobicContact CE1-CB 3.83Å; F194-F276 HydrophobicContact CE1-CD2 4.27Å; F194-F276 AromaticContact CE2-CD2 4Å; F194-F276 HydrophobicContact CE2-CD2 4Å; F194-F276 AromaticContact CG-CD2 3.66Å; F194-F276 HydrophobicContact CG-CD2 3.66Å; F194-F276 HydrophobicContact CG-CE2 4.47Å; F194-F276 HydrophobicContact CZ-CB 4.3Å; F194-F276 HydrophobicContact CZ-CD2 4.29Å; L215-F276 HydrophobicContact CD2-CE2 3.7Å; L215-F276 HydrophobicContact CD2-CZ 3.85Å; L215-F276 HydrophobicContact CG-CE2 4.33Å; I217-F276 HydrophobicContact CD1-CD2 3.8Å; I217-F276 HydrophobicContact CD1-CE2 3.55Å; I217-F276 HydrophobicContact CD1-CG 4.49Å; I217-F276 HydrophobicContact CD1-CZ 4.06Å; I217-F276 HydrophobicContact CG1-CD2 4.44Å; I217-F276 HydrophobicContact CG1-CE2 3.87Å; I217-F276 HydrophobicContact CG1-CZ 4.49Å; V246-F276 HydrophobicContact CG2-CD1 3.72Å; V246-F276 HydrophobicContact CG2-CE1 3.83Å; F251-F276 HydrophobicContact CB-CE1 3.93Å; F251-F276 HydrophobicContact CB-CZ 4.28Å; F251-F276 HydrophobicContact CD1-CE1 4.14Å; F251-F276 AromaticContact CD1-CZ 3.77Å; F251-F276 HydrophobicContact CD1-CZ 3.77Å; F251-F276 AromaticContact CD2-CE1 3.53Å; F251-F276 HydrophobicContact CD2-CE1 3.53Å; F251-F276 AromaticContact CD2-CZ 3.95Å; F251-F276 HydrophobicContact CD2-CZ 3.95Å; F251-F276 HydrophobicContact CE1-CZ 4.03Å; F251-F276 HydrophobicContact CE2-CE1 4Å; F251-F276 HydrophobicContact CE2-CZ 4.17Å; F251-F276 AromaticContact CG-CE1 3.61Å; F251-F276 HydrophobicContact CG-CE1 3.61Å; F251-F276 AromaticContact CG-CZ 3.74Å; F251-F276 HydrophobicContact CG-CZ 3.74Å; F251-F276 HydrophobicContact CZ-CZ 4.22Å; I270-F276 HydrophobicContact CD1-CB 4.32Å; I270-F276 HydrophobicContact CD1-CD1 3.67Å; I270-F276 HydrophobicContact CD1-CD2 3.6Å; I270-F276 HydrophobicContact CD1-CE1 3.79Å; I270-F276 HydrophobicContact CD1-CE2 3.71Å; I270-F276 HydrophobicContact CD1-CG 3.58Å; I270-F276 HydrophobicContact CD1-CZ 3.81Å; I270-F276 HydrophobicContact CG2-CB 4.11Å; I270-F276 HydrophobicContact CG2-CG 4.4Å; N272-F276 PolarHBondContact O-N 3.27Å; A273-F276 PolarHBondContact O-N 3.27Å; F276-S278 PolarHBondContact O-N 3.37Å; F276-R279 PolarHBondContact O-N 3.07Å; F276-L280 HydrophobicContact CE1-CD2 4.14Å; F276-L280 VanDerWaalsContact O-CB 3.25Å; F276-L280 WeakPolarHBondContact O-CB 3.33Å; F276-L280 PolarHBondContact O-N 2.98Å
277Q87.4Confident86.7Confident26 Ų2652.8 Ų52.812%0.12126%0.259CS..Hα-helixtrans-61.9-41.5179-174.9168.9-800112V246 A273 F281 N322 C324V246-Q277 HydrophobicContact CB-CB 4.24Å; V246-Q277 HydrophobicContact CB-CG 4.22Å; V246-Q277 HydrophobicContact CG1-CB 4.34Å; V246-Q277 HydrophobicContact CG2-CB 4.09Å; V246-Q277 HydrophobicContact CG2-CG 4.32Å; A273-Q277 VanDerWaalsContact O-CB 3.29Å; A273-Q277 WeakPolarHBondContact O-CB 3.5Å; A273-Q277 PolarHBondContact O-N 3.33Å; Q277-F281 VanDerWaalsContact O-CB 3.26Å; Q277-F281 WeakPolarHBondContact O-CB 3.46Å; Q277-F281 PolarHBondContact O-N 2.93Å; Q277-N322 PolarHBondContact NE2-O 2.9Å; Q277-N322 PolarHBondContact OE1-O 2.98Å; Q277-C324 PolarHBondContact NE2-SG 2.86Å
278S85.6Confident85.8Confident79 Ų7955 Ų5555%0.55227%0.274SS*.Hα-helixtrans-62.5-43.1174.6-61.70000111.9D274 K275 F276 R282D274-S278 VanDerWaalsContact O-CB 3.23Å; D274-S278 WeakPolarHBondContact O-CB 3.28Å; D274-S278 PolarHBondContact O-N 2.92Å; D274-S278 PolarHBondContact O-OG 3.09Å; K275-S278 PolarHBondContact O-N 3.26Å; F276-S278 PolarHBondContact O-N 3.37Å; S278-R282 WeakPolarHBondContact O-CB 3.19Å; S278-R282 PolarHBondContact O-N 3.18Å
279R86.7Confident84.7Confident39 Ų3959.7 Ų59.715%0.14730%0.298CS..Hα-helixtrans-70-41.7178.4-175.853177.6133.7-3.2112.4D192 F194 I217 K275 F276 R282 Q283D192-R279 IonicContact OD1-CZ 2.78Å; D192-R279 IonicContact OD1-NE 3.35Å; D192-R279 PolarHBondContact OD1-NE 3.01Å; D192-R279 IonicContact OD1-NH2 3.6Å; D192-R279 PolarHBondContact OD1-NH2 3Å; D192-R279 IonicContact OD2-CZ 3.53Å; D192-R279 IonicContact OD2-NE 3.45Å; D192-R279 PolarHBondContact OD2-NE 3.37Å; D192-R279 IonicContact OD2-NH2 2.74Å; D192-R279 PolarHBondContact OD2-NH2 2.7Å; F194-R279 HydrophobicContact CZ-CB 4.15Å; F194-R279 HydrophobicContact CZ-CG 4.47Å; I217-R279 HydrophobicContact CD1-CG 4.31Å; K275-R279 WeakPolarHBondContact O-CB 3.46Å; K275-R279 PolarHBondContact O-N 3.19Å; F276-R279 PolarHBondContact O-N 3.07Å; R279-R282 VanDerWaalsContact NH1-NE 3.18Å; R279-R282 WeakPolarHBondContact O-CB 3.28Å; R279-R282 PolarHBondContact O-N 2.85Å; R279-Q283 PolarHBondContact O-N 2.82Å
280L88.4Confident83.6Confident0 Ų061.2 Ų61.20%030%0.304CS..Hα-helixtrans-56.5-50.3173.2-178.169.1000110.8I217 F222 F244 V246 F251 F276 R282 Q283 M284 F326I217-L280 HydrophobicContact CG2-CD1 4.48Å; F222-L280 HydrophobicContact CE1-CD1 3.61Å; F222-L280 HydrophobicContact CZ-CD1 3.89Å; F244-L280 HydrophobicContact CD2-CD1 4.24Å; F244-L280 HydrophobicContact CD2-CD2 4.28Å; F244-L280 HydrophobicContact CE2-CD1 4.01Å; F244-L280 HydrophobicContact CE2-CG 4.47Å; V246-L280 HydrophobicContact CG2-CD2 4.09Å; F251-L280 HydrophobicContact CE2-CD2 4.12Å; F276-L280 HydrophobicContact CE1-CD2 4.14Å; F276-L280 VanDerWaalsContact O-CB 3.25Å; F276-L280 WeakPolarHBondContact O-CB 3.33Å; F276-L280 PolarHBondContact O-N 2.98Å; L280-R282 VanDerWaalsContact C-N 3.32Å; L280-R282 PolarHBondContact O-N 2.71Å; L280-Q283 PolarHBondContact O-N 2.91Å; L280-M284 HydrophobicContact CD1-CE 3.76Å; L280-M284 HydrophobicContact CD1-CG 4.39Å; L280-M284 VanDerWaalsContact O-CG 3.29Å; L280-M284 WeakPolarHBondContact O-CG 3.2Å; L280-M284 PolarHBondContact O-N 2.87Å; L280-F326 HydrophobicContact CD2-CE2 4.16Å; L280-F326 HydrophobicContact CG-CE2 4.2Å
281F86.2Confident82.3Confident69 Ų6963 Ų6330%0.30332%0.316SS..Hα-helixtrans-63-36.1177.4-173.9-118.4000112.5Q277 K285 L318 F326Q277-F281 VanDerWaalsContact O-CB 3.26Å; Q277-F281 WeakPolarHBondContact O-CB 3.46Å; Q277-F281 PolarHBondContact O-N 2.93Å; F281-K285 HydrophobicContact CD1-CD 4.41Å; F281-K285 HydrophobicContact CE1-CD 4.22Å; F281-K285 VanDerWaalsContact CE1-CE 3.48Å; F281-K285 HydrophobicContact CZ-CD 4.37Å; F281-K285 WeakPolarHBondContact O-CB 3.43Å; F281-K285 WeakPolarHBondContact O-CG 3.4Å; F281-K285 PolarHBondContact O-N 2.85Å; F281-K285 VanDerWaalsContact O-N 3.12Å; F281-L318 HydrophobicContact CZ-CB 4.47Å; F281-L318 HydrophobicContact CZ-CD1 4.5Å; F281-F326 HydrophobicContact CD2-CZ 4.13Å
282R85.2Confident81.1Confident122 Ų12263.1 Ų63.146%0.4631%0.314SS..Hα-helixtrans-60.6-52.5171.9-173.5165.679.7-176.92.4111.2S278 R279 L280 K285 Q286S278-R282 WeakPolarHBondContact O-CB 3.19Å; S278-R282 PolarHBondContact O-N 3.18Å; R279-R282 VanDerWaalsContact NH1-NE 3.18Å; R279-R282 WeakPolarHBondContact O-CB 3.28Å; R279-R282 PolarHBondContact O-N 2.85Å; L280-R282 VanDerWaalsContact C-N 3.32Å; L280-R282 PolarHBondContact O-N 2.71Å; R282-K285 PolarHBondContact O-N 2.82Å; R282-Q286 WeakPolarHBondContact O-CG 3.42Å; R282-Q286 PolarHBondContact O-N 3.4Å; R282-Q286 VanDerWaalsContact O-N 3.15Å; R282-Q286 PolarHBondContact O-OE1 2.89Å
283Q82.4Confident79.6Confident3 Ų362.1 Ų62.11%0.01431%0.308CS..Hα-helixtrans-63.6-47.1179.3-69.2-165.41100112.4D192 I217 K218 R279 L280 K285 Q286 L287D192-Q283 PolarHBondContact OD2-NE2 2.8Å; I217-Q283 PolarHBondContact O-NE2 2.8Å; K218-Q283 PolarHBondContact O-OE1 2.79Å; R279-Q283 PolarHBondContact O-N 2.82Å; L280-Q283 PolarHBondContact O-N 2.91Å; Q283-K285 VanDerWaalsContact C-N 3.27Å; Q283-K285 PolarHBondContact O-N 3.02Å; Q283-Q286 WeakPolarHBondContact O-CA 3.42Å; Q283-Q286 WeakPolarHBondContact O-CB 3.29Å; Q283-Q286 PolarHBondContact O-N 3.43Å; Q283-L287 WeakPolarHBondContact O-CG 3.43Å; Q283-L287 PolarHBondContact O-N 2.87Å
284M83.7Confident78.2Confident9 Ų965.9 Ų65.94%0.04433%0.334CS..Hα-helixtrans-64.6-30.9-178.3-62.8-57.3157.300112.8F222 I238 F244 L280 L287 T288 F326F222-M284 HydrophobicContact CE1-CE 4.23Å; F222-M284 HydrophobicContact CZ-CE 3.72Å; I238-M284 HydrophobicContact CD1-CE 3.57Å; I238-M284 HydrophobicContact CD1-SD 4.44Å; I238-M284 HydrophobicContact CG1-CE 4Å; I238-M284 HydrophobicContact CG2-CE 4.12Å; I238-M284 HydrophobicContact CG2-SD 4.07Å; F244-M284 HydrophobicContact CE2-CE 3.58Å; F244-M284 HydrophobicContact CE2-CG 3.97Å; F244-M284 HydrophobicContact CE2-SD 3.93Å; F244-M284 HydrophobicContact CZ-CE 3.51Å; F244-M284 HydrophobicContact CZ-CG 4.1Å; F244-M284 HydrophobicContact CZ-SD 3.53Å; F244-M284 VanDerWaalsContact CZ-SD 3.53Å; L280-M284 HydrophobicContact CD1-CE 3.76Å; L280-M284 HydrophobicContact CD1-CG 4.39Å; L280-M284 VanDerWaalsContact O-CG 3.29Å; L280-M284 WeakPolarHBondContact O-CG 3.2Å; L280-M284 PolarHBondContact O-N 2.87Å; M284-L287 HydrophobicContact CE-CD1 4.5Å; M284-L287 HydrophobicContact SD-CD1 3.83Å; M284-T288 WeakPolarHBondContact O-CB 3.38Å; M284-T288 PolarHBondContact O-N 2.9Å; M284-T288 PolarHBondContact O-OG1 2.83Å; M284-F326 HydrophobicContact CB-CD1 3.96Å; M284-F326 HydrophobicContact CB-CE1 3.38Å; M284-F326 HydrophobicContact CB-CZ 3.71Å; M284-F326 HydrophobicContact CG-CD1 4.09Å; M284-F326 HydrophobicContact CG-CD2 4.47Å; M284-F326 HydrophobicContact CG-CE1 3.82Å; M284-F326 HydrophobicContact CG-CE2 4.21Å; M284-F326 HydrophobicContact CG-CG 4.41Å; M284-F326 HydrophobicContact CG-CZ 3.86Å
285K81.2Confident76.5Confident87 Ų8768.8 Ų68.838%0.37834%0.336SS..Hα-helixtrans-65.2-45.2168.6-82.1-179.4170.3179.60112.1F281 R282 Q283 L287 T288 I289F281-K285 HydrophobicContact CD1-CD 4.41Å; F281-K285 HydrophobicContact CE1-CD 4.22Å; F281-K285 VanDerWaalsContact CE1-CE 3.48Å; F281-K285 HydrophobicContact CZ-CD 4.37Å; F281-K285 WeakPolarHBondContact O-CB 3.43Å; F281-K285 WeakPolarHBondContact O-CG 3.4Å; F281-K285 PolarHBondContact O-N 2.85Å; F281-K285 VanDerWaalsContact O-N 3.12Å; R282-K285 PolarHBondContact O-N 2.82Å; Q283-K285 VanDerWaalsContact C-N 3.27Å; Q283-K285 PolarHBondContact O-N 3.02Å; K285-L287 PolarHBondContact O-N 2.98Å; K285-T288 PolarHBondContact O-N 3.35Å; K285-I289 WeakPolarHBondContact O-CG1 3.35Å; K285-I289 PolarHBondContact O-N 3.33Å
286Q77.7Confident74.4Confident85 Ų8567.2 Ų67.240%0.39733%0.326SS..Hα-helixtrans-58.3-46.9178.1-68.7169.1-68.800111R282 Q283 T288 I289 Q290R282-Q286 WeakPolarHBondContact O-CG 3.42Å; R282-Q286 PolarHBondContact O-N 3.4Å; R282-Q286 VanDerWaalsContact O-N 3.15Å; R282-Q286 PolarHBondContact O-OE1 2.89Å; Q283-Q286 WeakPolarHBondContact O-CA 3.42Å; Q283-Q286 WeakPolarHBondContact O-CB 3.29Å; Q283-Q286 PolarHBondContact O-N 3.43Å; Q286-T288 PolarHBondContact O-N 3.04Å; Q286-I289 PolarHBondContact O-N 3.02Å; Q286-Q290 WeakPolarHBondContact O-CG 3.46Å; Q286-Q290 PolarHBondContact O-N 3.12Å
287L76.6Confident72.6Confident32 Ų3272.6 Ų72.617%0.16836%0.359CS..Hα-helixtrans-63.8-40175.4-61.7169.8000113.2E219 I238 Q283 M284 K285 I289 Q290 S291E219-L287 HydrophobicContact CB-CD2 4.4Å; E219-L287 WeakPolarHBondContact O-CD1 3.47Å; E219-L287 WeakPolarHBondContact O-CD2 3.25Å; I238-L287 HydrophobicContact CD1-CD1 3.95Å; Q283-L287 WeakPolarHBondContact O-CG 3.43Å; Q283-L287 PolarHBondContact O-N 2.87Å; M284-L287 HydrophobicContact CE-CD1 4.5Å; M284-L287 HydrophobicContact SD-CD1 3.83Å; K285-L287 PolarHBondContact O-N 2.98Å; L287-I289 VanDerWaalsContact C-N 3.33Å; L287-I289 PolarHBondContact O-N 3.02Å; L287-Q290 PolarHBondContact O-N 2.69Å; L287-S291 VanDerWaalsContact O-CB 3.29Å; L287-S291 WeakPolarHBondContact O-CB 3.49Å; L287-S291 PolarHBondContact O-N 2.9Å; L287-S291 PolarHBondContact O-OG 2.8Å
288T76Confident70.9Confident73 Ų7377 Ų7745%0.44839%0.387SS..Hα-helixtrans-59.3-47.1175.6-59.70000110.3M284 K285 Q286 S291 Q292M284-T288 WeakPolarHBondContact O-CB 3.38Å; M284-T288 PolarHBondContact O-N 2.9Å; M284-T288 PolarHBondContact O-OG1 2.83Å; K285-T288 PolarHBondContact O-N 3.35Å; Q286-T288 PolarHBondContact O-N 3.04Å; T288-S291 PolarHBondContact O-N 3.38Å; T288-S291 PolarHBondContact O-OG 3.13Å; T288-Q292 WeakPolarHBondContact O-CG 3.43Å; T288-Q292 PolarHBondContact O-N 2.85Å
289I73.1Confident69.1Low99 Ų9978.7 Ų78.751%0.50839%0.39SS..Hα-helixtrans-63.6-50178.6-66.6163000111K285 Q286 L287 S291 Q292 L293K285-I289 WeakPolarHBondContact O-CG1 3.35Å; K285-I289 PolarHBondContact O-N 3.33Å; Q286-I289 PolarHBondContact O-N 3.02Å; L287-I289 VanDerWaalsContact C-N 3.33Å; L287-I289 PolarHBondContact O-N 3.02Å; I289-S291 VanDerWaalsContact C-N 3.28Å; I289-S291 PolarHBondContact O-N 3.06Å; I289-Q292 PolarHBondContact O-N 3.17Å; I289-Q292 VanDerWaalsContact O-N 3.1Å; I289-L293 HydrophobicContact CG2-CD1 4.11Å; I289-L293 WeakPolarHBondContact O-CG 3.26Å; I289-L293 PolarHBondContact O-N 3.15Å
290Q70.1Confident67.4Low98 Ų9879.6 Ų79.646%0.45840%0.403SS..Hα-helixtrans-56.7-42175.9-73.41801.300111.8Q286 L287 Q292 L293 S294Q286-Q290 WeakPolarHBondContact O-CG 3.46Å; Q286-Q290 PolarHBondContact O-N 3.12Å; L287-Q290 PolarHBondContact O-N 2.69Å; Q290-Q292 VanDerWaalsContact C-N 3.32Å; Q290-Q292 PolarHBondContact O-N 3.13Å; Q290-L293 PolarHBondContact O-N 2.84Å; Q290-S294 WeakPolarHBondContact O-CB 3.44Å; Q290-S294 PolarHBondContact O-N 2.82Å
291S66.8Low65.5Low39 Ų3985.6 Ų85.627%0.27345%0.445SS..Hα-helixtrans-65.8-32.2178.182.10000113.3L287 T288 I289 R295L287-S291 VanDerWaalsContact O-CB 3.29Å; L287-S291 WeakPolarHBondContact O-CB 3.49Å; L287-S291 PolarHBondContact O-N 2.9Å; L287-S291 PolarHBondContact O-OG 2.8Å; T288-S291 PolarHBondContact O-N 3.38Å; T288-S291 PolarHBondContact O-OG 3.13Å; I289-S291 VanDerWaalsContact C-N 3.28Å; I289-S291 PolarHBondContact O-N 3.06Å; S291-R295 WeakPolarHBondContact O-CG 3.3Å; S291-R295 PolarHBondContact O-N 2.84Å
292Q61.2Low63.6Low95 Ų9591 Ų9144%0.44447%0.468SS..Hα-helixtrans-74-37.5173.8-71.7-174.215.100112.1T288 I289 Q290 R295 R296T288-Q292 WeakPolarHBondContact O-CG 3.43Å; T288-Q292 PolarHBondContact O-N 2.85Å; I289-Q292 PolarHBondContact O-N 3.17Å; I289-Q292 VanDerWaalsContact O-N 3.1Å; Q290-Q292 VanDerWaalsContact C-N 3.32Å; Q290-Q292 PolarHBondContact O-N 3.13Å; Q292-R295 PolarHBondContact O-N 2.9Å; Q292-R296 WeakPolarHBondContact O-CG 3.37Å
293L53.4Low61.8Low91 Ų9189.2 Ų89.248%0.47646%0.462SS..Hα-helixtrans-66.6-44.3175.5-68173.4000111.2I289 Q290 R295 R296I289-L293 HydrophobicContact CG2-CD1 4.11Å; I289-L293 WeakPolarHBondContact O-CG 3.26Å; I289-L293 PolarHBondContact O-N 3.15Å; Q290-L293 PolarHBondContact O-N 2.84Å; L293-R295 VanDerWaalsContact C-N 3.27Å; L293-R295 PolarHBondContact O-N 3.39Å; L293-R296 PolarHBondContact O-N 2.84Å
294S57.8Low60.3Low86 Ų8693.9 Ų93.960%0.60149%0.486SS*.Hα-helixtrans-55.6-38.5175.4174.40000112.8Q290 R296Q290-S294 WeakPolarHBondContact O-CB 3.44Å; Q290-S294 PolarHBondContact O-N 2.82Å; S294-R296 VanDerWaalsContact C-N 3.3Å; S294-R296 PolarHBondContact O-N 3.34Å
295R49.4Very low58.7Low183 Ų183100 Ų10069%0.69152%0.517SS*.Hα-helixtrans-67.3-23.1174.7-70178.9-163.7-162.55.3114.2S291 Q292 L293 T298S291-R295 WeakPolarHBondContact O-CG 3.3Å; S291-R295 PolarHBondContact O-N 2.84Å; Q292-R295 PolarHBondContact O-N 2.9Å; L293-R295 VanDerWaalsContact C-N 3.27Å; L293-R295 PolarHBondContact O-N 3.39Å; R295-T298 PolarHBondContact O-OG1 2.92Å
296R44.5Very low57.3Low96 Ų96101.3 Ų101.336%0.36252%0.524SS..Hα-helixtrans-83.3-24.4-176.8-67.5173.5-163.7179.45.7113.4Q292 L293 S294 T298 W303Q292-R296 WeakPolarHBondContact O-CG 3.37Å; L293-R296 PolarHBondContact O-N 2.84Å; S294-R296 VanDerWaalsContact C-N 3.3Å; S294-R296 PolarHBondContact O-N 3.34Å; R296-T298 VanDerWaalsContact C-N 3.3Å; R296-T298 PolarHBondContact O-N 3.27Å; R296-W303 HydrophobicContact CG-CE3 4.4Å; R296-W303 HydrophobicContact CG-CZ3 4.4Å
297V50.6Low56Low114 Ų114100.7 Ų100.769%0.69152%0.521SS*.Hα-helixtrans-67.1-31.5-177.4-178.90000111.7
298T51.9Low54.5Low117 Ų117105.4 Ų105.472%0.71854%0.543SS*.THydrogen-bonded Turntrans-82.5-22.4-178.249.20000115.1R295 R296R295-T298 PolarHBondContact O-OG1 2.92Å; R296-T298 VanDerWaalsContact C-N 3.3Å; R296-T298 PolarHBondContact O-N 3.27Å
299D49Very low53.1Low115 Ų115108.9 Ų108.962%0.61556%0.557SS**THydrogen-bonded Turntrans-107.216.6-178.5-74.9-48.4000113.2S301 K302D299-S301 VanDerWaalsContact C-N 3.29Å; D299-S301 PolarHBondContact O-N 2.73Å; D299-S301 VanDerWaalsContact O-N 3.08Å; D299-K302 PolarHBondContact O-N 2.99Å; D299-K302 VanDerWaalsContact O-N 3.12Å
300S50.9Low51.7Low59 Ų59109 Ų10941%0.41355%0.554SS.*Hα-helixtrans-48.6-43.6-167.3-170.30000114.3K302 W303S300-K302 PolarHBondContact O-N 2.86Å; S300-W303 PolarHBondContact O-N 3.01Å
301S47.3Very low50.3Low126 Ų126111.6 Ų111.688%0.88156%0.564SS**Hα-helixtrans-63-16.3-175-440000115.4D299D299-S301 VanDerWaalsContact C-N 3.29Å; D299-S301 PolarHBondContact O-N 2.73Å; D299-S301 VanDerWaalsContact O-N 3.08Å
302K47.5Very low48.8Very low181 Ų181118.1 Ų118.179%0.78759%0.59SS**Hα-helixtrans-115.5-23-176.1-149.9175.7-173.5-179.70113.9D299 S300D299-K302 PolarHBondContact O-N 2.99Å; D299-K302 VanDerWaalsContact O-N 3.12Å; S300-K302 PolarHBondContact O-N 2.86Å
303W47.4Very low47.3Very low86 Ų86118.8 Ų118.833%0.32661%0.605SS.*Hα-helixtrans-75.4-27.4-173.5120.9-72.4000113.8R296 S300 I305 E306 Q307R296-W303 HydrophobicContact CG-CE3 4.4Å; R296-W303 HydrophobicContact CG-CZ3 4.4Å; S300-W303 PolarHBondContact O-N 3.01Å; W303-I305 PolarHBondContact O-N 2.9Å; W303-E306 PolarHBondContact O-N 2.87Å; W303-Q307 HydrophobicContact CD2-CG 3.7Å; W303-Q307 HydrophobicContact CE3-CG 3.5Å; W303-Q307 VanDerWaalsContact CH2-CD 3.41Å; W303-Q307 HydrophobicContact CH2-CG 3.5Å; W303-Q307 VanDerWaalsContact CH2-CG 3.5Å; W303-Q307 VanDerWaalsContact CH2-OE1 3.27Å; W303-Q307 HydrophobicContact CZ2-CG 3.73Å; W303-Q307 HydrophobicContact CZ3-CG 3.41Å; W303-Q307 VanDerWaalsContact CZ3-CG 3.41Å; W303-Q307 PolarHBondContact O-N 3.04Å
304I49.8Very low46.2Very low101 Ų101120.5 Ų120.552%0.51862%0.615SS.*Hα-helixtrans-60.8-45.3-172.3-62174.6000111.8E306 Q307I304-E306 VanDerWaalsContact C-N 3.3Å; I304-E306 PolarHBondContact O-N 3.29Å; I304-Q307 PolarHBondContact O-N 2.58Å
305I50.7Low44.9Very low138 Ų138121.3 Ų121.371%0.70861%0.609SS**Hα-helixtrans-66.7-31.8-178.2-62170.7000111.6W303W303-I305 PolarHBondContact O-N 2.9Å
306E52.1Low43.9Very low113 Ų113121.9 Ų121.953%0.52862%0.617SS.*Hα-helixtrans-82.2-13.9-178.1-120.8-158.9129.200114W303 I304 K310W303-E306 PolarHBondContact O-N 2.87Å; I304-E306 VanDerWaalsContact C-N 3.3Å; I304-E306 PolarHBondContact O-N 3.29Å; E306-K310 IonicContact OE1-NZ 2.85Å; E306-K310 PolarHBondContact OE1-NZ 2.88Å
307Q49.8Very low43.2Very low72 Ų72119 Ų11934%0.33661%0.607SS.*Hα-helixtrans-84.9-34.2-179-77.6-62.9-78.200113.8W303 I304 I309 K310 K311W303-Q307 HydrophobicContact CD2-CG 3.7Å; W303-Q307 HydrophobicContact CE3-CG 3.5Å; W303-Q307 VanDerWaalsContact CH2-CD 3.41Å; W303-Q307 HydrophobicContact CH2-CG 3.5Å; W303-Q307 VanDerWaalsContact CH2-CG 3.5Å; W303-Q307 VanDerWaalsContact CH2-OE1 3.27Å; W303-Q307 HydrophobicContact CZ2-CG 3.73Å; W303-Q307 HydrophobicContact CZ3-CG 3.41Å; W303-Q307 VanDerWaalsContact CZ3-CG 3.41Å; W303-Q307 PolarHBondContact O-N 3.04Å; I304-Q307 PolarHBondContact O-N 2.58Å; Q307-I309 PolarHBondContact O-N 3.49Å; Q307-K310 CarbonylContact O-C 3.49Å; Q307-K310 PolarHBondContact O-N 3.39Å; Q307-K311 PolarHBondContact O-N 2.8Å
308E46.1Very low42.4Very low132 Ų132118.9 Ų118.962%0.61760%0.602SS**Hα-helixtrans-68.2-26.9179.4-58.2-140.99900112.3K310 K311E308-K310 VanDerWaalsContact C-N 3.34Å; E308-K311 IonicContact OE1-NZ 2.8Å; E308-K311 PolarHBondContact OE1-NZ 3.03Å
309I45Very low41.5Very low146 Ų146116 Ų11675%0.74958%0.583SS**THydrogen-bonded Turntrans-81.7-12.8174.8-57.4174.7000112Q307Q307-I309 PolarHBondContact O-N 3.49Å
310K44.5Very low40.7Very low100 Ų100117.8 Ų117.844%0.43559%0.587SS.*THydrogen-bonded Turntrans-109.212.7179-75.4175.4-176.1163.80114.2E306 Q307 E308 E312E306-K310 IonicContact OE1-NZ 2.85Å; E306-K310 PolarHBondContact OE1-NZ 2.88Å; Q307-K310 CarbonylContact O-C 3.49Å; Q307-K310 PolarHBondContact O-N 3.39Å; E308-K310 VanDerWaalsContact C-N 3.34Å; K310-E312 PolarHBondContact O-N 2.81Å
311K40.7Very low40.2Very low154 Ų154119 Ų11967%0.6759%0.592SS**SBendtrans-69.5-12.5174.9-83.1173-179.3167.60113.9Q307 E308Q307-K311 PolarHBondContact O-N 2.8Å; E308-K311 IonicContact OE1-NZ 2.8Å; E308-K311 PolarHBondContact OE1-NZ 3.03Å
312E35.2Very low40Very low175 Ų175118.6 Ų118.682%0.81858%0.58SS**SBendtrans-101.9127.6168.8-65.6-166.9123.200111.8K310K310-E312 PolarHBondContact O-N 2.81Å
313S29.9Very low40.1Very low110 Ų110113.3 Ų113.377%0.76956%0.558SS**  trans61.496.4174.669.20000118
314N30.6Very low40.2Very low127 Ų127110.2 Ų110.268%0.67955%0.549SS*.  trans-157.390.1151.8-100.9-60.5000110.6
315E29.8Very low40.2Very low103 Ų103109.3 Ų109.348%0.48154%0.539SS..  trans-108.590-173.3-164.8-174.1130.600110K116 H317K116-E315 VanDerWaalsContact CD-OE1 3.28Å; K116-E315 WeakPolarHBondContact CD-OE1 3.18Å; K116-E315 WeakPolarHBondContact CE-OE1 3.41Å; K116-E315 IonicContact NZ-OE1 2.63Å; K116-E315 PolarHBondContact NZ-OE1 2.85Å; K116-E315 IonicContact NZ-OE2 2.71Å; K116-E315 PolarHBondContact NZ-OE2 3.1Å; E315-H317 PolarHBondContact O-CD2 3.49Å; E315-H317 PolarHBondContact O-N 2.87Å; E315-H317 IonicContact OE1-CD2 2.69Å; E315-H317 IonicContact OE1-CE1 3.86Å; E315-H317 PolarHBondContact OE1-CE1 3.42Å; E315-H317 IonicContact OE1-NE2 2.82Å; E315-H317 PolarHBondContact OE1-NE2 2.89Å
316F29Very low40.5Very low194 Ų194105 Ų10585%0.85152%0.515SS*.  trans-74.6110.7-178.5-89.9-95.2000111.9
317H29.4Very low40.3Very low35 Ų35103.6 Ų103.616%0.16252%0.519CS..  trans-96.1135.7170.4-71.6-93.1000111N17 G115 K116 E315N17-H317 HydrophobicContact CB-CB 4.44Å; N17-H317 VanDerWaalsContact CG-CB 3.45Å; N17-H317 VanDerWaalsContact ND2-CB 3.35Å; N17-H317 WeakPolarHBondContact ND2-CB 3.33Å; N17-H317 PolarHBondContact ND2-O 3.09Å; N17-H317 WeakPolarHBondContact OD1-CB 3.49Å; G115-H317 WeakPolarHBondContact CA-ND1 3.46Å; G115-H317 PolarHBondContact N-CE1 2.9Å; G115-H317 PolarHBondContact N-ND1 2.81Å; K116-H317 PolarHBondContact N-CE1 3.5Å; K116-H317 VanDerWaalsContact N-CE1 3.27Å; K116-H317 PolarHBondContact N-ND1 2.89Å; E315-H317 PolarHBondContact O-CD2 3.49Å; E315-H317 PolarHBondContact O-N 2.87Å; E315-H317 IonicContact OE1-CD2 2.69Å; E315-H317 IonicContact OE1-CE1 3.86Å; E315-H317 PolarHBondContact OE1-CE1 3.42Å; E315-H317 IonicContact OE1-NE2 2.82Å; E315-H317 PolarHBondContact OE1-NE2 2.89Å
318L33.6Very low40.1Very low113 Ų113101.8 Ų101.859%0.59251%0.514SS*.  trans-115.1135.9168.5-93.2165.3000109N17 F281N17-L318 PolarHBondContact ND2-N 2.69Å; F281-L318 HydrophobicContact CZ-CB 4.47Å; F281-L318 HydrophobicContact CZ-CD1 4.5Å
319N32.6Very low39.6Very low56 Ų56103.2 Ų103.230%0.29952%0.521SS..  trans-78.3145.1-174.1-90.2-29.8000111.5T16 N17 T321T16-N319 PolarHBondContact O-ND2 2.97Å; N17-N319 PolarHBondContact ND2-N 3.13Å; N17-N319 VanDerWaalsContact ND2-N 3.16Å; N17-N319 PolarHBondContact ND2-OD1 3.41Å; N17-N319 VanDerWaalsContact ND2-OD1 3.08Å; N319-T321 HydrophobicContact CB-CG2 4.34Å; N319-T321 PolarHBondContact O-N 2.91Å
320E32.4Very low39.4Very low153 Ų153101.6 Ų101.672%0.71552%0.52SS*.  trans-84.792169.2179.8179.7-119.400107.6K117K117-E320 IonicContact NZ-OE2 2.71Å; K117-E320 PolarHBondContact NZ-OE2 3.11Å
321T40Very low39.3Very low83 Ų83107.7 Ų107.751%0.50954%0.54SS..  trans-130.2128.9175.448.50000109.1N319 H323N319-T321 HydrophobicContact CB-CG2 4.34Å; N319-T321 PolarHBondContact O-N 2.91Å; T321-H323 PolarHBondContact O-N 3.09Å
322N43.9Very low39.1Very low119 Ų119107.9 Ų107.964%0.63654%0.54SS*.SBendtrans-68.73.9-169.7-62.92.9000114.5Q277Q277-N322 PolarHBondContact NE2-O 2.9Å; Q277-N322 PolarHBondContact OE1-O 2.98Å
323H49.1Very low39.3Very low69 Ų69108.9 Ų108.932%0.31954%0.542SS..  trans-126.7115.8174.5-49.6-37.7000107.8Y247 T321Y247-H323 HydrophobicContact CD2-CB 4.49Å; Y247-H323 AromaticContact CD2-CE1 3.82Å; Y247-H323 AromaticContact CD2-CG 3.82Å; Y247-H323 AromaticContact CD2-ND1 3.55Å; Y247-H323 AromaticContact CE2-CE1 3.9Å; Y247-H323 AromaticContact CE2-NE2 3.96Å; T321-H323 PolarHBondContact O-N 3.09Å
324C49.9Very low39.7Very low21 Ų21112.6 Ų112.614%0.14254%0.544CS..EExtended strand (participates in β ladder)trans-125.9125.2177.462.80000110.8G245 Q277G245-C324 WeakPolarHBondContact CA-O 3.45Å; Q277-C324 PolarHBondContact NE2-SG 2.86Å
325W48.9Very low39.9Very low82 Ų82113.8 Ų113.831%0.31155%0.551SS.*EExtended strand (participates in β ladder)trans-110.5132.5172.6-71.198000109.7F244 Y252F244-W325 WeakPolarHBondContact O-CA 3.22Å; Y252-W325 HydrophobicContact CD2-CH2 4.44Å; Y252-W325 HydrophobicContact CG-CH2 4.06Å
326F57.6Low40.1Very low47 Ų47116.1 Ų116.121%0.20657%0.565CS.*EExtended strand (participates in β ladder)trans-104.6154168.7-60.8-89.7000109.3K243 F244 L280 F281 M284K243-F326 VanDerWaalsContact CA-O 3.22Å; K243-F326 WeakPolarHBondContact CA-O 3.47Å; F244-F326 HydrophobicContact CD1-CB 4.32Å; F244-F326 HydrophobicContact CD2-CB 4Å; F244-F326 AromaticContact CD2-CD2 3.72Å; F244-F326 HydrophobicContact CD2-CD2 3.72Å; F244-F326 HydrophobicContact CD2-CG 4.19Å; F244-F326 HydrophobicContact CE1-CB 3.85Å; F244-F326 HydrophobicContact CE2-CB 3.49Å; F244-F326 VanDerWaalsContact CE2-CB 3.49Å; F244-F326 HydrophobicContact CE2-CD1 4.45Å; F244-F326 AromaticContact CE2-CD2 3.29Å; F244-F326 HydrophobicContact CE2-CD2 3.29Å; F244-F326 HydrophobicContact CE2-CE2 4.1Å; F244-F326 AromaticContact CE2-CG 3.5Å; F244-F326 HydrophobicContact CE2-CG 3.5Å; F244-F326 VanDerWaalsContact CE2-CG 3.5Å; F244-F326 HydrophobicContact CG-CB 4.38Å; F244-F326 HydrophobicContact CZ-CB 3.4Å; F244-F326 HydrophobicContact CZ-CD2 4.07Å; F244-F326 AromaticContact CZ-CG 3.77Å; F244-F326 HydrophobicContact CZ-CG 3.77Å; F244-F326 PolarHBondContact N-O 3.37Å; F244-F326 PolarHBondContact O-N 3.18Å; L280-F326 HydrophobicContact CD2-CE2 4.16Å; L280-F326 HydrophobicContact CG-CE2 4.2Å; F281-F326 HydrophobicContact CD2-CZ 4.13Å; M284-F326 HydrophobicContact CB-CD1 3.96Å; M284-F326 HydrophobicContact CB-CE1 3.38Å; M284-F326 HydrophobicContact CB-CZ 3.71Å; M284-F326 HydrophobicContact CG-CD1 4.09Å; M284-F326 HydrophobicContact CG-CD2 4.47Å; M284-F326 HydrophobicContact CG-CE1 3.82Å; M284-F326 HydrophobicContact CG-CE2 4.21Å; M284-F326 HydrophobicContact CG-CG 4.41Å; M284-F326 HydrophobicContact CG-CZ 3.86Å
327S49Very low40.3Very low85 Ų85114.1 Ų114.159%0.59456%0.562SS**EExtended strand (participates in β ladder)trans-140.1130.1177.8-1670000109.3R242R242-S327 VanDerWaalsContact O-CA 3.31Å; R242-S327 WeakPolarHBondContact O-CA 3.31Å; R242-S327 PolarHBondContact O-OG 2.95Å
328S44.4Very low40.4Very low34 Ų34118.5 Ų118.524%0.23859%0.592CS.*PPolyproline II helixtrans-95120.4177.773.70000111A241 R242A241-S328 WeakPolarHBondContact O-CB 3.48Å; A241-S328 PolarHBondContact O-OG 3.34Å; A241-S328 VanDerWaalsContact O-OG 3.13Å; R242-S328 PolarHBondContact O-N 2.82Å
329E36.4Very low40.2Very low162 Ų162119.1 Ų119.176%0.75761%0.605SS**PPolyproline II helixtrans-73.3135165-77-151.6124.200111.4R331E329-R331 PolarHBondContact O-N 2.69Å
330P40.5Very low40.2Very low112 Ų112124.4 Ų124.473%0.72763%0.633SS**PPolyproline II helixtrans-71.3118.8170.829.7-32.6000110.2K332P330-K332 PolarHBondContact O-N 2.79Å
331R41.7Very low40.2Very low228 Ų228125.2 Ų125.286%0.8664%0.642SS**  trans-63.496.5178.8-62.5-177-174.6-179.52.4111.2E329 K333E329-R331 PolarHBondContact O-N 2.69Å; R331-K333 PolarHBondContact O-N 3.08Å; R331-K333 VanDerWaalsContact O-N 3.12Å
332K37.3Very low39.8Very low157 Ų157126.4 Ų126.468%0.68365%0.654SS**  trans-57.7112.5167.2-74.3-176.6176.61780108.8P330 K334 D684P330-K332 PolarHBondContact O-N 2.79Å; K332-K334 PolarHBondContact O-N 3.29Å; K332-D684 IonicContact NZ-OD1 3Å; K332-D684 IonicContact NZ-OD2 2.66Å; K332-D684 PolarHBondContact NZ-OD2 3.22Å
333K39.6Very low39.6Very low196 Ų196127.6 Ų127.685%0.85266%0.659SS**  trans-63.1119.2167.1-80-173.9175.8-177.80108.3R331R331-K333 PolarHBondContact O-N 3.08Å; R331-K333 VanDerWaalsContact O-N 3.12Å
334K37.8Very low38.9Very low188 Ų188131.8 Ų131.882%0.81768%0.684SS**  trans-84.3107.8165.9-75.5-172.2176.8-178.50108.7K332 I336K332-K334 PolarHBondContact O-N 3.29Å; K334-I336 HydrophobicContact CB-CG1 4.47Å; K334-I336 PolarHBondContact O-N 3.38Å
335N35.8Very low38.3Very low152 Ų152135.7 Ų135.781%0.81371%0.709SS**  trans-72.1111.1163.5-69.2-1.3000107.5
336I33.2Very low37.7Very low153 Ų153139.5 Ų139.579%0.78573%0.734SS**  trans-97.4101.4173.1-59.9177.5000107.2K334K334-I336 HydrophobicContact CB-CG1 4.47Å; K334-I336 PolarHBondContact O-N 3.38Å
337L33.8Very low36.8Very low151 Ų151145.7 Ų145.779%0.79177%0.768SS**  trans-145.9128.4167.9-153.673.5000110.6
338T30.5Very low36.4Very low128 Ų128150.2 Ų150.279%0.78578%0.778SS**  trans45.497159.350.60000119.5
339S30.9Very low36.2Very low125 Ų125155.9 Ų155.987%0.87481%0.811SS**  trans-151.137.314859.60000113.8
340L31.7Very low36.2Very low168 Ų168157.8 Ų157.888%0.8882%0.817SS**  trans-86.6106.6164.2-85.3169000109.5
341N31.8Very low35.9Very low169 Ų169158.3 Ų158.390%0.90482%0.82SS**  trans-180100154.5-97.4-23.3000110.8
342S33Very low35.5Very low109 Ų109159 Ų15976%0.76282%0.823SS**  trans-168.2147.3155.7-160.70000110.7
343I38.1Very low35.6Very low144 Ų144156.2 Ų156.274%0.73882%0.823SS**  trans62.3105174.5-42-179.3000112.7
344D35.9Very low35.2Very low157 Ų157154.6 Ų154.684%0.8482%0.824SS**  -149.9139.966.7-129.1-20.6000113.7
345P36.6Very low35.1Very low103 Ų103150.9 Ų150.967%0.66982%0.822SS**  trans-110.9119.5178.235.8-25.1000113.2
346L37.5Very low35.1Very low162 Ų162149.7 Ų149.785%0.84882%0.82SS**  trans-180104.6148.8-104.2161.7000112.9
347L37.6Very low35.2Very low176 Ų176148.6 Ų148.692%0.92182%0.815SS**  trans-168.6150.8134.2-106.4164000110.7
348K40.6Very low35.3Very low181 Ų181147.5 Ų147.579%0.78781%0.806SS**  trans-106.9130.5-168.6-60.3162.6179.8167.90111.1
349T39.3Very low35.6Very low153 Ų153149 Ų14994%0.93980%0.802SS**  trans-161.2155.3136.314.60000111.9
350K36.7Very low36Very low201 Ų201149.8 Ų149.887%0.87480%0.796SS**  trans-73.7153.5-166.8-69.8170.8172.3173.10114.8
351P34Very low36.4Very low124 Ų124148 Ų14881%0.80579%0.786SS**  trans-92.9161.916838-35000113.3
352R34.6Very low36.6Very low241 Ų241147.2 Ų147.291%0.90978%0.777SS**  trans-163.3144.9154.7-144.7178.3174.6129.2-0115.3
353S38.8Very low36.7Very low100 Ų100147.8 Ų147.870%0.69977%0.772SS**  trans62.3117.3147.447.80000123.2
354N30.8Very low36.7Very low161 Ų161147 Ų14786%0.86177%0.768SS**  trans-43.1147157.8-33.5-14.2000116.9
355S37.1Very low36.8Very low110 Ų110147 Ų14777%0.76976%0.763SS**  trans-171.1116141.158.50000108.4
356V34.2Very low36.8Very low127 Ų127146.3 Ų146.377%0.7776%0.76SS**  83.1138.278.5166.30000113.4
357N35.7Very low36.8Very low130 Ų130147 Ų14770%0.69576%0.759SS**  trans72.5151.1171.9-77.228.5000118.5
358E36Very low36.7Very low129 Ų129144.8 Ų144.860%0.60375%0.748SS**  cis-173.1-179-12.8-179.9163.3-144.800110.8
359F37.7Very low36.2Very low158 Ų158144 Ų14469%0.69375%0.745SS**  trans83.6112.3167.8-54-69.1000117.6
360L39.4Very low36Very low142 Ų142144 Ų14474%0.74373%0.734SS**  84.8130.695.7-76.3176.7000113.2
361L38.9Very low35.8Very low130 Ų130141.1 Ų141.168%0.68172%0.723SS**  cis-137.3146.57.7-88.2150000108.9
362Q35.8Very low35.7Very low153 Ų153144.7 Ų144.772%0.71572%0.721SS**  44.1128.493.9-75.4-178.1-15.800114.6
363N36Very low35.8Very low121 Ų121139.7 Ų139.765%0.64771%0.708SS**  cis-140.9151.317.3-88.2-29.5000110.9
364I37.5Very low35.5Very low128 Ų128141.5 Ų141.566%0.65671%0.71SS**  65.4123.763.9-76.8169.5000110.5
365E38.3Very low35.8Very low158 Ų158138.9 Ų138.974%0.73870%0.704SS**  cis-15815711.2-126.5166.8-15400113.4
366S36.7Very low35.8Very low87 Ų87138 Ų13861%0.60870%0.698SS**  37.9164.2130890000123
367H37.8Very low35.8Very low178 Ų178138.4 Ų138.482%0.82470%0.696SS**  cis-145.516319-145.3-80000114.3
368N34.3Very low35.8Very low129 Ų129139 Ų13969%0.6970%0.696SS**  trans-102.9158.1-173.9-104.6-43.7000114.1
369F29.8Very low35.7Very low164 Ų164140 Ų14072%0.71971%0.705SS**  trans57.6128.1149.2-89-119.8000121.1
370H36.6Very low35.7Very low153 Ų153137.4 Ų137.471%0.70870%0.703SS**  169.1127.3107.9-87.3-73.3000108.1
371Q32.3Very low35.5Very low140 Ų140139.6 Ų139.665%0.65471%0.707SS**  92.7137.251.6-166.1-165.623.300112.4
372R31.4Very low35.2Very low200 Ų200141.5 Ų141.576%0.75571%0.713SS**  trans85.7146.2179.1-59.9170.7-177.1-144.1-0.4113.8
373Q36.3Very low34.9Very low135 Ų135140.9 Ų140.963%0.63171%0.713SS**  cis-159.5153.20.4-126.8166.3-19.200112.7
374N34Very low34.7Very low139 Ų139140.8 Ų140.874%0.74372%0.721SS**  trans63161.7152.6-62-12.9000116.9
375S35.7Very low34.3Very low106 Ų106140.2 Ų140.274%0.74172%0.724SS**  cis-170.5153.4-15.240.10000106.2
376S37.2Very low33.7Very low91 Ų91137.3 Ų137.364%0.63672%0.72SS**  cis-173.3155.94.140.40000110.2
377N35.3Very low33.4Very low136 Ų136141.4 Ų141.473%0.72774%0.735SS**  trans68.8154.5154.3-59.9-9000118.6
378M34.6Very low33Very low142 Ų142136.6 Ų136.670%0.773%0.726SS**  cis-158.8107.9-22.1-99.1-77.3135.700105
379L33.4Very low32.8Very low151 Ų151140.5 Ų140.579%0.79173%0.733SS**  93.9144.694.6-128.7119.2000113.7
380P39.4Very low33Very low102 Ų102139.3 Ų139.366%0.66273%0.733SS**  trans-131-170.4-156.546.3-32.5000115.2
381K34.7Very low32.7Very low188 Ų188137.3 Ų137.382%0.81774%0.737SS**  trans-168.2145.7152.9-102.7175.9-179.2-179.10108.8
382E31.8Very low32.8Very low171 Ų171138.9 Ų138.980%0.79975%0.75SS**  cis-127.5163.2-4.6-72.8-167.1142.600111.4
383I30.1Very low33.1Very low140 Ų140133.1 Ų133.172%0.71875%0.745SS**  trans-141.3128.6-178.3-65.6177.8000111.4V385I383-V385 HydrophobicContact CG2-CB 3.8Å; I383-V385 HydrophobicContact CG2-CG2 3.37Å
384S30.5Very low33Very low118 Ų118136.1 Ų136.183%0.82576%0.756SS**  trans-146.7107.4146.748.80000106.5
385V29.4Very low32.8Very low117 Ų117134.7 Ų134.771%0.70976%0.757SS**  cis61.1126.342.4153.90000113I383I383-V385 HydrophobicContact CG2-CB 3.8Å; I383-V385 HydrophobicContact CG2-CG2 3.37Å
386S26.9Very low32.5Very low96 Ų96135.1 Ų135.167%0.67176%0.76SS**  cis-170.6161.3-22.4-103.40000108.3
387L29.9Very low32.1Very low174 Ų174136.2 Ų136.291%0.91177%0.768SS**  trans-160.2115.5130.7-109.3168000109.6
388A28.8Very low31.9Very low77 Ų77135 Ų13564%0.63677%0.77SS**  trans-104.5-156174.600000109.7
389Y31Very low31.7Very low211 Ų211133.5 Ų133.583%0.82777%0.773SS**  trans77.7122.4-170.9-67.1-92.6000114.5
390D33.6Very low31.4Very low138 Ų138136.7 Ų136.774%0.73878%0.775SS**  cis-149.7163.9-13.9-143.1-11.7000112.8
391S30.2Very low31Very low112 Ų112139.5 Ų139.578%0.78378%0.783SS**  trans-105.4121.9178-59.20000110.7
392D35.5Very low30.6Very low172 Ų172138.6 Ų138.692%0.9278%0.779SS**  trans-126.7136.9165.3-128.4-26.5000109.9
393A36.5Very low30.8Very low79 Ų79136.5 Ų136.565%0.65378%0.78SS**  trans-153.2163.9-166.400000112.3
394K33.9Very low30.9Very low198 Ų198138 Ų13886%0.86178%0.784SS**  trans82.2159.4172.1-50.2170.1-179174.60116.1
395S31.2Very low31Very low110 Ų110139.8 Ų139.877%0.76978%0.779SS**  trans62.8110.2171-60.60000116
396S28.9Very low31.2Very low114 Ų114141.8 Ų141.880%0.79779%0.786SS**  cis84.6130.538.6-55.80000115
397S27.9Very low31.4Very low115 Ų115145 Ų14580%0.80479%0.788SS**  trans77.1158.4162-1500000118.2
398S31.9Very low31.5Very low110 Ų110143.4 Ų143.477%0.76978%0.779SS**  trans55146.1178.3620000118.6
399S30.5Very low31.6Very low110 Ų110146.4 Ų146.477%0.76978%0.783SS**  cis-159.8160.6-2547.80000109.5
400W26.9Very low31.7Very low219 Ų219142.2 Ų142.283%0.8378%0.78SS**  trans-63.3151.2161.4-6585.3000110.9
401I29.9Very low31.6Very low161 Ų161141.3 Ų141.383%0.82678%0.784SS**  trans173.9135.3135.5-90.8154.3000108.3
402F26.3Very low31.7Very low168 Ų168139.2 Ų139.274%0.73778%0.78SS**  trans-86.1149170.4-72.8-100.4000110.3
403P37.2Very low31.6Very low128 Ų128140.8 Ų140.883%0.83178%0.779SS**  trans-83.7109.7148.6811.1000108.4
404E32.6Very low31.2Very low172 Ų172142.7 Ų142.780%0.80479%0.786SS**  trans-73.2169.1164-76.1177.8130.600111.3
405E32.3Very low31.1Very low154 Ų154143.3 Ų143.372%0.7279%0.789SS**  trans39.2125.3156-66.5-174.6171.900120.7
406N33Very low31.1Very low160 Ų160142 Ų14286%0.85679%0.785SS**  -151.6116.4124.7-112.4-82.6000110.7
407F31.2Very low31.3Very low163 Ų163143.7 Ų143.772%0.71578%0.78SS**  trans-72.3128.8169.9-88-106.3000110.1I409F407-I409 HydrophobicContact CD1-CD1 4.08Å; F407-I409 HydrophobicContact CD1-CG1 4.27Å; F407-I409 HydrophobicContact CE1-CD1 4.44Å
408I32Very low31.5Very low141 Ų141148.1 Ų148.172%0.72378%0.779SS**  trans-128.699.3153.6-60.5-175.9000108.7T410I408-T410 HydrophobicContact CG2-CG2 3.87Å
409I30.3Very low31.3Very low140 Ų140147.4 Ų147.472%0.71877%0.774SS**  trans-89.1113.4165.1-63.6170.2000107.4F407F407-I409 HydrophobicContact CD1-CD1 4.08Å; F407-I409 HydrophobicContact CD1-CG1 4.27Å; F407-I409 HydrophobicContact CE1-CD1 4.44Å
410T34.6Very low31.4Very low123 Ų123147.3 Ų147.376%0.75577%0.772SS**  trans-122.789.2169.242.30000110.9I408I408-T410 HydrophobicContact CG2-CG2 3.87Å
411S30.9Very low31.5Very low118 Ų118144.1 Ų144.183%0.82577%0.767SS**  trans-62.9134.3164.254.70000110.6
412G31.5Very low31.6Very low68 Ų68143.1 Ų143.170%0.70177%0.768SS**  trans-167.173.6-172.400000118.2
413K33.2Very low31.8Very low205 Ų205139.2 Ų139.289%0.89177%0.767SS**  trans62.5123151.7-61.1177.4-1801760119.2
414C28.9Very low31.6Very low119 Ų119141.9 Ų141.980%0.80477%0.766SS**  trans-64.8151.6159.7-450000111.5
415F32.6Very low31.7Very low212 Ų212141.2 Ų141.293%0.9376%0.763SS**  trans-135.3144.3140.7-103.5-83.4000109
416A30.8Very low32.1Very low82 Ų82139.1 Ų139.168%0.67876%0.761SS**  trans-123.5-176.6175.300000109.1
417E32.5Very low32.2Very low150 Ų150138.1 Ų138.170%0.70176%0.755SS**  trans78.4150.7-175-48.8-160133.700115.2
418R32.2Very low32.5Very low207 Ų207136.2 Ų136.278%0.78176%0.757SS**  cis-159.6155.7-25.6-112.7173.5179143.47.9107.8
419S28Very low32.7Very low96 Ų96134.1 Ų134.167%0.67176%0.755SS**  trans-14.6167.3158.653.50000121.8
420C31.6Very low33.1Very low107 Ų107134.5 Ų134.572%0.72375%0.753SS**  trans88.1145.3165.9-610000115.8
421Q30Very low33.3Very low152 Ų152135.2 Ų135.271%0.7175%0.748SS**  cis-166.9175.9-20.2-158.786.4-5.100108.3
422T32.1Very low33.6Very low141 Ų141135.6 Ų135.687%0.86574%0.74SS**  trans72.1146.1153.234.40000120.4
423A29.9Very low33.9Very low86 Ų86139.5 Ų139.571%0.71174%0.738SS**  trans-123.5167.1-173.500000111.8
424F33.5Very low34.3Very low184 Ų184137.4 Ų137.481%0.80773%0.731SS**  trans-143.5125155-91.2-89.3000106.3
425E34.8Very low34.8Very low157 Ų157136.4 Ų136.473%0.73473%0.725SS**  78.5129.886.3-147.4175-117.800111.1
426V39.7Very low35.1Very low111 Ų111131.2 Ų131.267%0.67372%0.715SS**  -168.9133.471.7159.60000111.5
427N35.5Very low35.5Very low138 Ų138134.4 Ų134.474%0.73872%0.721SS**  trans43.3160148.6-55.2-19.4000121.9
428T38.1Very low35.9Very low123 Ų123130.8 Ų130.876%0.75572%0.717SS**  cis-160.5150.824-28.50000111.9
429S37.2Very low36.3Very low97 Ų97128.6 Ų128.668%0.67872%0.721SS**  trans55.9146.2153.8-680000122
430E38.2Very low36.5Very low148 Ų148129.3 Ų129.369%0.69273%0.726SS**  cis-160.7151.1-9.6-116.3-177.4131.300114.1
431Q37.9Very low37.1Very low138 Ų138129 Ų12965%0.64572%0.722SS**  trans57.7117.1143.1-73.2-166.854.900124.8
432L38.3Very low37.5Very low126 Ų126132.6 Ų132.666%0.6673%0.729SS**  trans71.6147.5130.8-55.3-178.8000119.3
433K37.9Very low37.8Very low150 Ų150131.6 Ų131.665%0.65272%0.722SS**  cis-162.6144.42.4-123171.7178.3172.60112.6
434H40.9Very low38.3Very low162 Ų162133.1 Ų133.175%0.7572%0.723SS**  trans55.1149.6150.2-57.9-37.3000120.6
435S39Very low38.5Very low97 Ų97130.2 Ų130.268%0.67872%0.72SS**  cis-170.2143.3-1549.40000111.4
436S40.2Very low38.5Very low103 Ų103128.9 Ų128.972%0.7272%0.723SS**  trans31.6149.8138.975.10000121.8
437N38.7Very low38.3Very low150 Ų150133 Ų13380%0.80273%0.726SS**  cis-170170.924.7-147.3-9.2000112.8
438A40.3Very low38.4Very low73 Ų73135.1 Ų135.160%0.60373%0.732SS**  trans59.9141.6151.300000119.9
439N39.7Very low38.3Very low162 Ų162135.7 Ų135.787%0.86673%0.726SS**  cis-151.6161.2-2-101-18.9000111.7
440S33.9Very low38.4Very low111 Ų111139.9 Ų139.978%0.77674%0.737SS**  trans-134.9-163.6167.2-148.50000106.8
441P43.6Very low38.3Very low100 Ų100142 Ų14265%0.64974%0.739SS**  cis-132.8-174.8-20.840.3-23.7000113.3
442R37.9Very low38.3Very low228 Ų228140.5 Ų140.586%0.8673%0.731SS**  trans167.9133.8133.5-89.7171.3172.8177.2-1.8110
443V39.8Very low38.3Very low119 Ų119142.3 Ų142.372%0.72173%0.734SS**  72.6127.156.8175.90000109.9
444T38.6Very low38.2Very low119 Ų119142.2 Ų142.273%0.7374%0.741SS**  cis-155141.427.84.40000108.8
445V38Very low37.7Very low122 Ų122142.7 Ų142.774%0.73975%0.745SS**  86.4137.273.9168.50000116.7
446V36Very low37.7Very low130 Ų130146 Ų14679%0.78875%0.754SS**  trans78.1152.7159.1143.60000119.9
447R35.2Very low37.5Very low197 Ų197148 Ų14874%0.74375%0.751SS**  cis174.1129.2-33.9-178-166.2-146.4164.34.9109.9
448Q37.2Very low37.3Very low183 Ų183147.6 Ų147.686%0.85575%0.749SS**  trans164.2140.5147.7-96.2164.7-38.500109
449Q36.6Very low37Very low135 Ų135151 Ų15163%0.63176%0.757SS**  cis108.695.46.1-165.8-178.125.100116.3
450M38.3Very low36.7Very low185 Ų185153.8 Ų153.891%0.91176%0.757SS**  trans-132.7138.1140.5-68.3-171.7169.200105.7
451R36.9Very low36.5Very low193 Ų193154.2 Ų154.273%0.72876%0.76SS**  cis65.3136.239.9-73.4-167.3172.7-146.410.3112.2
452E37.7Very low36.1Very low106 Ų106153.8 Ų153.850%0.49576%0.759SS.*  cis-161.7167.312-135.5171.6-14500112.7
453K37Very low35.8Very low163 Ų163151.5 Ų151.571%0.70976%0.758SS**  trans69.6150.7154.4-76.4156.6-178.8153.40117.7
454N35.9Very low35.4Very low149 Ų149153.9 Ų153.980%0.79776%0.762SS**  cis-133.3167.39.5-94.6-39.2000113.3
455M31.3Very low35.1Very low172 Ų172153.7 Ų153.785%0.84776%0.76SS**  trans-116.5139.8168.2-71.9173.559.400111.4
456I38.3Very low34.8Very low166 Ų166156.1 Ų156.185%0.85176%0.761SS**  trans-149.8110.2157.2-54179.7000103.7
457H35.9Very low34.7Very low146 Ų146156 Ų15668%0.67676%0.755SS**  cis75.599.949.3-150.281.7000114.1
458N35.1Very low34.5Very low141 Ų141151.8 Ų151.875%0.75476%0.756SS**  trans-173.4145.5131.3-93-13.3000111.6
459N33.8Very low34.3Very low144 Ų144151 Ų15177%0.7775%0.752SS**  trans-82.1155.8164.5-66.7-43.9000109.6
460Y32.8Very low34.2Very low221 Ų221151.2 Ų151.287%0.86776%0.763SS**  trans-141.9135.3140.3-108.6-79.7000110
461S30.1Very low33.9Very low120 Ų120148.5 Ų148.584%0.83975%0.751SS**  trans-144.391.3176.4173.90000108.7
462S36.3Very low33.8Very low90 Ų90145.4 Ų145.463%0.62976%0.758SS**  trans-140.5126.1169.3-57.80000105.3
463Q30.9Very low33.7Very low181 Ų181147.9 Ų147.985%0.84677%0.769SS**  49.59279.9-76.3-169.1-3400113.3
464E31.4Very low33.8Very low168 Ų168150.5 Ų150.579%0.78578%0.775SS**  trans-130.4128.1136.8-73.4-163.6152.900107.8F466E464-F466 HydrophobicContact CB-CE2 4.37Å
465T32.3Very low34Very low115 Ų115149.1 Ų149.171%0.70677%0.767SS**  trans-129.9101.3177.4-59.40000106.8I467T465-I467 HydrophobicContact CG2-CD1 4.36Å; T465-I467 HydrophobicContact CG2-CG1 4.22Å; T465-I467 PolarHBondContact O-N 2.78Å; T465-I467 VanDerWaalsContact O-N 3.14Å
466F32.2Very low34.2Very low174 Ų174147.7 Ų147.776%0.76376%0.763SS**  trans-83.987176.4-82.5-82.5000110.2E464E464-F466 HydrophobicContact CB-CE2 4.37Å
467I32.6Very low34.3Very low127 Ų127145.9 Ų145.965%0.65176%0.755SS**  trans-93.4119.4153.8-65170000106.2T465 E469T465-I467 HydrophobicContact CG2-CD1 4.36Å; T465-I467 HydrophobicContact CG2-CG1 4.22Å; T465-I467 PolarHBondContact O-N 2.78Å; T465-I467 VanDerWaalsContact O-N 3.14Å; I467-E469 HydrophobicContact CG2-CG 3.91Å
468S32.2Very low34.3Very low109 Ų109145.6 Ų145.676%0.76276%0.757SS**  trans-99.386.2169.3-64.30000109T470S468-T470 PolarHBondContact O-N 2.84Å
469E33.3Very low34.4Very low167 Ų167143.9 Ų143.978%0.7876%0.755SS**  trans-69.5122.4166.3-80.5170.2170.700109.7I467I467-E469 HydrophobicContact CG2-CG 3.91Å
470T33.4Very low34.4Very low138 Ų138144.6 Ų144.685%0.84776%0.758SS**  trans-114.781.3157.353.70000108.2S468 C472S468-T470 PolarHBondContact O-N 2.84Å; T470-C472 PolarHBondContact O-N 3.11Å
471L33.2Very low34.6Very low128 Ų128139.8 Ų139.867%0.6775%0.751SS**  trans-70122.5174.3-16794.8000109.6E473L471-E473 HydrophobicContact CD2-CG 4.17Å; L471-E473 HydrophobicContact CG-CG 4.25Å
472C34.8Very low35.1Very low129 Ų129141.8 Ų141.887%0.87275%0.745SS**  trans-13177.8167.3-89.40000108.9T470T470-C472 PolarHBondContact O-N 3.11Å
473E35.9Very low35.1Very low158 Ų158143.4 Ų143.474%0.73874%0.743SS**  trans-68.7130.9162-67.8177.6124.500109.4L471L471-E473 HydrophobicContact CD2-CG 4.17Å; L471-E473 HydrophobicContact CG-CG 4.25Å
474R39Very low35.5Very low217 Ų217142.7 Ų142.782%0.81974%0.739SS**  trans-151.5116.4143.3-91.5-150.5-179.379.38.5111
475D38.7Very low35.9Very low120 Ų120144.1 Ų144.164%0.64275%0.746SS**  54.887.2122-42.6-15.9000117.1
476D36.5Very low36.1Very low143 Ų143142 Ų14277%0.76575%0.747SS**  61.5145.9118.2-63.4-9.4000123.6
477N39.5Very low36.3Very low128 Ų128141.7 Ų141.768%0.68475%0.754SS**  trans95.199.7144.8-67-41000122.2
478I37.1Very low36.6Very low140 Ų140142.3 Ų142.372%0.71876%0.758SS**  79.3127.5116.3-68.7167.5000119.9
479C36.6Very low36.9Very low105 Ų105144.4 Ų144.471%0.70976%0.76SS**  trans59.5122.7162.5-720000118.4
480L33.4Very low36.9Very low159 Ų159140.8 Ų140.883%0.83275%0.753SS**  76.4142.157.9-77.4171.3000114.9
481V37.7Very low37.1Very low119 Ų119142.9 Ų142.972%0.72175%0.753SS**  trans86.7102.6165.5-174.20000117.1
482K39.5Very low37.2Very low162 Ų162141.1 Ų141.170%0.70476%0.757SS**  trans53.8154.2132.4-65.8171.3147.3-116.90119.8
483E37.3Very low37.3Very low125 Ų125140.9 Ų140.958%0.58475%0.754SS**  cis-157.7164.5-3.1-121.3152.2178.100110.5
484E40Very low37.1Very low166 Ų166141.9 Ų141.978%0.77676%0.758SS**  trans55.6126.9151.3-70.9167.7-175.100123.7
485E38.4Very low37.1Very low197 Ų197137.5 Ų137.592%0.92176%0.758SS**  trans27.6139.1143.1-57.2-169.6139.800123.7
486G37.3Very low36.7Very low71 Ų71137.4 Ų137.473%0.73276%0.762SS**  trans154.571.2155.600000116.7N488G486-N488 PolarHBondContact O-N 3.23Å
487D35.6Very low36.6Very low168 Ų168140.8 Ų140.890%0.89877%0.765SS**  trans-57.8128.9176.1-79.3-46.3000113
488N39.1Very low36.3Very low140 Ų140138.3 Ų138.375%0.74976%0.762SS**  trans-157135.3167.6-98.9-67.1000113.6G486G486-N488 PolarHBondContact O-N 3.23Å
489L38.5Very low36.3Very low153 Ų153139.2 Ų139.280%0.80177%0.769SS**  trans61.2115.2140.8-65.8169.1000122.1
490S33.8Very low36.2Very low90 Ų90138.4 Ų138.463%0.62977%0.77SS**  88.8146.1118.2-146.80000122.7
491E37.3Very low36.4Very low183 Ų183137.9 Ų137.986%0.85576%0.763SS**  trans72.2160.3150.3-85153.4123.500122.8
492A35Very low36.3Very low90 Ų90139.1 Ų139.174%0.74476%0.761SS**  trans-108.6179.2-173.700000110.4
493P37.4Very low36.2Very low125 Ų125138.8 Ų138.881%0.81277%0.766SS**  -151.7-17774.538.6-17.6000115.9
494Q31.7Very low36.2Very low178 Ų178137.3 Ų137.383%0.83277%0.765SS**  trans-88.9152.9164.6-73.2-173.4-34.100112.6
495P38.7Very low35.8Very low125 Ų125136.5 Ų136.581%0.81277%0.766SS**  trans-102.4162.4157.336.6-29.7000113.5
496V30.7Very low35.7Very low118 Ų118133.4 Ų133.472%0.71576%0.761SS**  trans-132-176.1-174.7173.90000109.9
497Y33.6Very low35.3Very low214 Ų214137.9 Ų137.984%0.83977%0.765SS**  trans96116.5179.1-61.1-78.1000113.9
498A34.6Very low35.3Very low76 Ų76140.1 Ų140.163%0.62877%0.767SS**  cis79.3145.324.800000114.7
499N35.6Very low34.8Very low159 Ų159139.6 Ų139.685%0.8576%0.764SS**  cis-104.2-13713.7-55.2-72.1000112.1
500A34.6Very low34.7Very low89 Ų89138.9 Ų138.974%0.73677%0.766SS**  cis-157.1-177.65.400000109
501E38.3Very low34.6Very low147 Ų147142.9 Ų142.969%0.68777%0.772SS**  cis-149.9-151.85.7-138.4-47.196.600109.1
502Q35.2Very low34.5Very low145 Ų145143 Ų14368%0.67877%0.773SS**  trans-104.6169.1-168-60.3160.855.600114.2
503I37.1Very low34.3Very low156 Ų156145.4 Ų145.480%0.877%0.772SS**  -154.2116.378.3-81.8167.6000113
504T37.5Very low34.3Very low94 Ų94146 Ų14658%0.57777%0.774SS**  trans32.2126.5147.567.50000125.1
505N32.3Very low34.2Very low148 Ų148144.9 Ų144.979%0.79177%0.773SS**  69.2151.4127.5-56-14.2000120.3
506T36Very low34.1Very low133 Ų133147.2 Ų147.282%0.81677%0.773SS**  cis-143.5153.916-35.40000112.1
507M29.3Very low34.3Very low164 Ų164146.7 Ų146.781%0.80877%0.766SS**  trans-71.3156.3172.8-60.5179.4177.100113.1
508F36.1Very low34.4Very low215 Ų215143.6 Ų143.694%0.94376%0.759SS**  -149.6147.3120.4-112-73.2000111.4
509N27.8Very low34.4Very low129 Ų129148.3 Ų148.369%0.6977%0.766SS**  trans-133.6124.5-167.2-167.1-6.8000109.1
510T35.8Very low34.1Very low138 Ų138144.9 Ų144.985%0.84775%0.754SS**  trans-151.3130.4161.1-15.40000111.7
511K32.2Very low34Very low175 Ų175148.4 Ų148.476%0.76176%0.76SS**  trans-89.5149.8166.8-59.8171-179.31750108.8
512H34.4Very low33.9Very low186 Ų186148 Ų14886%0.86177%0.768SS**  trans-146135.7144.9-136.3-81000111.8
513L32.2Very low33.6Very low139 Ų139148.2 Ų148.273%0.72877%0.773SS**  trans-86.7153.1167-72.669.7000108.5
514T36Very low33.3Very low138 Ų138147.6 Ų147.685%0.84777%0.772SS**  -169.4135.2117.224.40000110.9
515N29.7Very low33.1Very low155 Ų155146.5 Ų146.583%0.82978%0.779SS**  trans-81150.9166-66.7-40.2000110.1
516H37.9Very low33.3Very low174 Ų174146.3 Ų146.381%0.80678%0.778SS**  trans-158.9109.4137.6-128.3-104.8000115.3
517N34.3Very low33.4Very low106 Ų106145.8 Ų145.857%0.56777%0.77SS**  trans36.5121.3136.4-71.4-56.2000123.6
518Q36Very low33.9Very low149 Ų149145.1 Ų145.170%0.69677%0.765SS**  85.6134.6122.2-70.1-174.438.500123.9
519K34.2Very low34Very low175 Ų175142 Ų14276%0.76176%0.758SS**  trans71.595.3136.2-80-173.5173.7-178.20122.2
520S29.5Very low34.5Very low88 Ų88144.4 Ų144.462%0.61577%0.765SS**  69141.2104.572.60000122.8
521L31.8Very low34.5Very low162 Ų162143.5 Ų143.585%0.84876%0.76SS**  trans65.4124154.9-66.2156.6000115.1
522T35.8Very low34.7Very low139 Ų139142.2 Ų142.285%0.85377%0.767SS**  -157.6167.563.435.80000112.7
523N29.5Very low34.6Very low149 Ų149139.9 Ų139.980%0.79777%0.765SS**  trans-153.9159.8163.1-164.619.7000111
524N31.3Very low34.8Very low144 Ų144139.7 Ų139.777%0.7777%0.77SS**  trans67.4133.6-177.8-63.44.4000116.1
525G33.7Very low34.7Very low70 Ų70137.4 Ų137.472%0.72276%0.76SS**  trans-179.635.9-172.300000117.6
526N35.4Very low34.8Very low144 Ų144135.5 Ų135.577%0.7776%0.757SS**  trans68.4139.1148.2-7218.2000123.6
527N38.3Very low34.7Very low122 Ų122133.4 Ų133.465%0.65276%0.762SS**  trans93134.7135.7-71.520.5000124.7
528E39.5Very low34.7Very low150 Ų150137 Ų13770%0.70178%0.778SS**  trans80.897.4137.9-72.1156.8-13300122.5
529D38.2Very low34.8Very low151 Ų151136.7 Ų136.781%0.80778%0.781SS**  85.2163.4111.6-66.56.2000125
530E38.7Very low34.9Very low178 Ų178134.1 Ų134.183%0.83278%0.78SS**  trans64.193.1170.1-61-160149.600122.2
531T36.5Very low35.5Very low119 Ų119137.4 Ų137.473%0.7379%0.79SS**  17.6131.6125.455.40000121.1
532T36.1Very low35.5Very low149 Ų149135 Ų13591%0.91479%0.787SS**  -169.8165.3115.217.90000113.3
533V32Very low35.6Very low136 Ų136136.7 Ų136.782%0.82479%0.79SS**  trans-107.9136.3-177.21740000111.1
534T35.8Very low35.8Very low136 Ų136137.4 Ų137.483%0.83479%0.791SS**  trans176152.5155.3-82.80000109.8
535S34.7Very low36.1Very low90 Ų90136 Ų13663%0.62979%0.792SS**  cis-166.3164.2-47.874.30000108
536C30.6Very low36Very low115 Ų115137.1 Ų137.178%0.77779%0.794SS**  trans47.4117152.1-63.40000121.9
537S36.2Very low36.3Very low130 Ų130138.1 Ų138.191%0.90980%0.798SS**  -159.5126.8129.4-83.80000110.8
538M34.8Very low36.1Very low180 Ų180137 Ų13789%0.88780%0.8SS**  trans-95.2153.5176.4-68.7-173.6174.500111.2
539N37.4Very low36Very low143 Ų143137.6 Ų137.677%0.76581%0.808SS**  trans-143.6124.4146.2-162.6-15.3000109.9
540V37.8Very low35.8Very low122 Ų122136.8 Ų136.874%0.73981%0.808SS**  trans-142123.3176.6-116.70000107
541N42.2Very low35.7Very low156 Ų156134.4 Ų134.483%0.83481%0.811SS**  trans-132.3122.1168.4-90.6-58.1000108.6
542S30.4Very low35.7Very low112 Ų112133 Ų13378%0.78381%0.812SS**  trans-121.3140.4173.9175.30000107.3
543L38.9Very low35.6Very low174 Ų174133.7 Ų133.791%0.91181%0.809SS**  trans-142125.5157.3-15174.1000110.8
544M33.1Very low35.6Very low165 Ų165131.4 Ų131.481%0.81380%0.799SS**  trans-86.4145.8173.3-109.8-76.4-173.800110.1
545S37.3Very low35.6Very low113 Ų113130.9 Ų130.979%0.7980%0.796SS**  trans-169.3139.8133.236.10000110.5
546A32.9Very low35.6Very low94 Ų94131.4 Ų131.478%0.77780%0.8SS**  trans-134.6127.416900000107.4
547I41.1Very low35.8Very low165 Ų165132.2 Ų132.285%0.84681%0.807SS**  trans-137.5130.2172.8-61.9-177.8000106.8
548S33.5Very low35.4Very low99 Ų99132 Ų13269%0.69281%0.805SS**  trans-78.6160.4173.6-53.90000110.8
549D38Very low35.5Very low163 Ų163129.3 Ų129.387%0.87280%0.804SS**  -174.1163.9121.4-95.4-17.1000112.8
550T32.7Very low35.2Very low133 Ų133128.5 Ų128.582%0.81681%0.805SS**  trans-119.5143.6-174.152.60000112.3
551S37.5Very low35.1Very low128 Ų128131.1 Ų131.190%0.89581%0.813SS**  trans-169.8162.2151.819.20000111.6
552A35.7Very low34.7Very low89 Ų89130.5 Ų130.574%0.73681%0.808SS**  trans-86.7175-178.200000111.4
553L35.6Very low35Very low164 Ų164132.8 Ų132.886%0.85981%0.812SS**  -165.1169.862.8-153.766.8000113.5
554S32.3Very low34.9Very low89 Ų89133 Ų13362%0.62281%0.806SS**  trans-51150.5-179.156.70000119
555T35.3Very low34.9Very low125 Ų125131 Ų13177%0.76781%0.805SS**  -178.9108.8109410000109.4
556S33.3Very low34.9Very low101 Ų101131.5 Ų131.571%0.70680%0.803SS**  72.599.472.373.80000116
557S35.1Very low34.9Very low132 Ų132134.4 Ų134.492%0.92381%0.805SS**  trans-164131151.6-83.20000109.9
558S29.1Very low34.6Very low125 Ų125134.1 Ų134.187%0.87481%0.806SS**  trans-122.4145.7-173.1-590000111.7
559S35.4Very low34.4Very low123 Ų123135.1 Ų135.186%0.8681%0.813SS**  trans-143.9124.5160.4610000110.4
560T32.2Very low34Very low127 Ų127133 Ų13378%0.77981%0.809SS**  trans-96.6141-175.232.10000112.4
561L34.9Very low33.8Very low177 Ų177131.4 Ų131.493%0.92780%0.804SS**  trans-127113.8157.5-88.2173.8000109.7
562I35Very low33.5Very low142 Ų142136 Ų13673%0.72880%0.803SS**  trans-92.7134.5177.7-63.3167.2000107.9
563N36.2Very low33.3Very low160 Ų160137.5 Ų137.586%0.85680%0.803SS**  trans-136.2145.1158.9-102.8-45.5000111.1
564K36Very low33.1Very low179 Ų179138.9 Ų138.978%0.77880%0.802SS**  trans-88.4145.2-158.2-60.1171.3-178.8174.20112.7
565P33.1Very low33Very low122 Ų122141.7 Ų141.779%0.79281%0.81SS**  trans-73.7140.2155.732.8-31.8000109.8
566V37.9Very low32.7Very low124 Ų124146.1 Ų146.175%0.75281%0.813SS**  trans-109.3100.7169.4178.20000108.4
567N33.4Very low32.5Very low155 Ų155148.3 Ų148.383%0.82982%0.817SS**  trans-70.9134.2160.9-84.5-19.7000108.7
568N34.4Very low32.3Very low160 Ų160151.4 Ų151.486%0.85681%0.814SS**  trans-138.799.5158.9-111-11.1000108.8
569S30.2Very low32.4Very low120 Ų120148.5 Ų148.584%0.83980%0.804SS**  trans-81129.5172.852.20000110.3
570C29Very low32.1Very low118 Ų118154 Ų15480%0.79781%0.807SS**  trans-135.9112.8156.5-165.50000109.4
571S28Very low32Very low100 Ų100154.8 Ų154.870%0.69981%0.806SS**  trans-97.6124.8-179.353.50000110.6
572Y31.8Very low31.8Very low225 Ų225154.5 Ų154.588%0.88280%0.804SS**  trans-133128.7154.7-89.3-72.6000111.1
573T30.7Very low31.7Very low119 Ų119155 Ų15573%0.7380%0.803SS**  trans-99.1144.7-174.448.80000111.2
574K32.3Very low31.5Very low193 Ų193153.4 Ų153.484%0.83980%0.801SS**  trans-168.9108143.9-107.1151.8-170.71730110.9
575N29.1Very low31.6Very low148 Ų148152.8 Ų152.879%0.79181%0.805SS**  trans-69.9138.6175.2-57.3-15.3000110.2
576W30.9Very low31.5Very low218 Ų218154.9 Ų154.983%0.82681%0.806SS**  trans-131.7116.6152-80.285.6000108.1
577N27.8Very low31.4Very low148 Ų148156.4 Ų156.479%0.79181%0.805SS**  trans-117.8120.7-174.3-169.533000107.8
578F31Very low31.7Very low197 Ų197156.8 Ų156.886%0.86480%0.799SS**  trans-174.5144.4165.4-89-66.7000106.5
579G31.3Very low31.4Very low64 Ų64157.5 Ų157.566%0.6680%0.797SS**  cis140.5102.91.900000109.6
580Y28.2Very low31.7Very low237 Ų237161.2 Ų161.293%0.92980%0.801SS**  trans-76.6118.9179.9-74.5-103.6000111.1
581L30.7Very low31.8Very low145 Ų145163.5 Ų163.576%0.75980%0.8SS**  trans-178.7123.3135.8-132.368.3000111
582I31.3Very low32.1Very low171 Ų171166.4 Ų166.488%0.87781%0.808SS**  trans-147128149.1-60.3-172.8000106.5
583E32.6Very low32.1Very low151 Ų151159.2 Ų159.271%0.70679%0.791SS**  trans-90.1156.8179.3-65.9169.3128.600111.7I585E583-I585 PolarHBondContact O-N 2.86Å
584P31.5Very low32.4Very low128 Ų128161 Ų16183%0.83179%0.79SS**  trans-75.9113.4175.130.7-33.1000111.3
585I38.3Very low32.5Very low166 Ų166158.4 Ų158.485%0.85179%0.786SS**  trans-80.5125.3171.4-62.9175.6000109.1E583E583-I585 PolarHBondContact O-N 2.86Å
586M31.8Very low32.8Very low165 Ų165156.1 Ų156.181%0.81378%0.782SS**  trans-95.8-173.8164.6-61.1-151.6-54.100110.7
587E35.4Very low33.1Very low157 Ų157151 Ų15173%0.73478%0.779SS**  trans86.9143.3-173.6-52.4-157.5149.700114.5
588K38.8Very low33.5Very low162 Ų162151.4 Ų151.470%0.70478%0.779SS**  cis-155.7165.5-12.9-118.4165.1-174.3150.50108.6
589E29.8Very low33.8Very low176 Ų176147.1 Ų147.182%0.82277%0.774SS**  trans-77.3133.4160.4-73.7-176.9104.900110.1
590E36Very low34.2Very low197 Ų197150.5 Ų150.592%0.92178%0.781SS**  trans-125.5106.9157.5-79.4-165.2135.100109.4
591Q31.4Very low34.6Very low166 Ų166142 Ų14278%0.77677%0.767SS**  trans-83.3130.5152.2-60.3176.53.100107.2
592N34.6Very low35Very low161 Ų161141.3 Ų141.386%0.86176%0.764SS**  trans-167.9165.4131.8-106.5-38.1000115.1
593S30.9Very low35.4Very low74 Ų74140.6 Ų140.652%0.51776%0.756SS.*  trans-86.8167.2-17350.70000114.3
594H37.4Very low35.7Very low156 Ų156141.8 Ų141.872%0.72276%0.762SS**  trans155.3124.6131.3-79.8-47.2000110.7
595N34Very low35.9Very low139 Ų139140.1 Ų140.174%0.74375%0.753SS**  70.4139.476.9-720.5000112.8
596S35.5Very low35.7Very low101 Ų101139 Ų13971%0.70675%0.748SS**  cis-168.3-165.87.247.90000112.6
597S37.3Very low35.9Very low111 Ų111137.2 Ų137.278%0.77675%0.747SS**  trans99.5120171.972.80000115.7
598I35.8Very low36Very low155 Ų155133.2 Ų133.280%0.79574%0.74SS**  cis106.8117.115.8-65.2168.1000113.9
599S37.9Very low36.2Very low107 Ų107135.6 Ų135.675%0.74875%0.746SS**  trans159.797.5141.3-167.80000110.5
600V38.3Very low36.7Very low135 Ų135133.9 Ų133.982%0.81874%0.736SS**  85.6138.184.6168.50000115.2
601G36.7Very low37.1Very low60 Ų60130.5 Ų130.562%0.61972%0.721SS**  trans111.895.3179.400000113.2
602N40.1Very low37.8Very low130 Ų130130.4 Ų130.470%0.69572%0.72SS**  72.8135.155.4-56.452.4000111.8
603E39.8Very low38.4Very low155 Ų155126.8 Ų126.872%0.72471%0.707SS**  cis-159.2132.61.2-105.1151.4-135.900107.3
604E38.3Very low39.2Very low176 Ų176130.5 Ų130.582%0.82272%0.721SS**  81.5151.793.7-76.6-152.3169.600120.2
605C36Very low39.4Very low94 Ų94126.4 Ų126.464%0.63572%0.721SS**  trans78.695.5154.4-79.80000124.3
606N34.4Very low39.9Very low141 Ų141127.8 Ų127.875%0.75473%0.727SS**  86.2138.6105.7-73.6-11.9000126.4
607T36.6Very low40.1Very low128 Ų128129 Ų12979%0.78573%0.731SS**  trans82.7104.9139.842.50000124.6
608A37.4Very low39.9Very low73 Ų73129.2 Ų129.260%0.60373%0.727SS**  101.1151.8110.100000122.2
609Y41.6Very low39.9Very low212 Ų212126.4 Ų126.483%0.83172%0.721SS**  trans72.2137.4171.8-54-74.1000116.8
610K41.7Very low39.9Very low140 Ų140125.3 Ų125.361%0.60971%0.713SS**  cis-159.6172.5-10.5-135.4173.2-171.2-79.20110.1
611E44Very low40.1Very low127 Ų127125 Ų12559%0.59371%0.712SS**  trans2.7148.1145.6-69.6146.1-148.500119
612E46.1Very low40.5Very low163 Ų163127 Ų12776%0.76271%0.714SS**  cis-169.6174.713.8-120.3167-152.900109.2
613C46.5Very low40.3Very low86 Ų86127.7 Ų127.758%0.58172%0.718SS**  cis-155.3-177.6-1.4-151.80000110.9
614D47.8Very low40.4Very low151 Ų151128 Ų12881%0.80772%0.724SS**  trans51.5132.3150.2-60.6-39.9000123.4
615G41.8Very low40.4Very low71 Ų71126.4 Ų126.473%0.73272%0.721SS**  trans-168-36175.800000119.8
616L43.9Very low40.7Very low168 Ų168129.3 Ų129.388%0.8873%0.729SS**  trans57.2136.3174.8-52.6172.1000117.1
617V40Very low40.9Very low127 Ų127129.8 Ų129.877%0.7773%0.732SS**  cis-152.3159.42.2118.20000109.9
618T34Very low41.1Very low114 Ų114129.7 Ų129.770%0.69973%0.725SS**  trans-78.9167.2-178.9540000112.7
619S35.5Very low41.3Very low96 Ų96133.4 Ų133.467%0.67173%0.728SS**  cis60.3143.248.3130.60000113.3
620S37.6Very low41.3Very low84 Ų84130 Ų13059%0.58772%0.719SS**  cis-176.8160.7-9.143.10000111.7
621T43.3Very low41.1Very low129 Ų129129 Ų12979%0.79173%0.725SS**  trans63.2176.6153.848.90000118.1
622P44.2Very low41Very low103 Ų103127.6 Ų127.667%0.66973%0.729SS**  -133.7-175.4-60.741.6-26.2000113.8
623D35.1Very low40.8Very low143 Ų143126.5 Ų126.577%0.76573%0.729SS**  trans13.9121.5155.1-47.9-24.1000121.2
624N43.1Very low40.5Very low161 Ų161127.5 Ų127.586%0.86173%0.732SS**  -170.5162.9122-104.6-33000112.8
625D37.2Very low40.1Very low143 Ų143125.4 Ų125.477%0.76573%0.728SS**  trans-70.9154.1-177.9-56.2-72000114.8
626I43.7Very low40.1Very low156 Ų156129.3 Ų129.380%0.873%0.731SS**  167.4100.4123.1-82.2154.5000109.2
627D37.5Very low39.9Very low151 Ų151124.7 Ų124.781%0.80771%0.713SS**  18.9167.5129-156.413.6000122.3
628I42.2Very low40.2Very low125 Ų125128 Ų12864%0.64172%0.717SS**  trans98.798.1160.7-56.8175.9000117.6
629K39.9Very low40.7Very low151 Ų151127.9 Ų127.966%0.65772%0.721SS**  trans72.2122.8139.1-73.5-178.6165.5-86.40119.9
630E41.4Very low41.4Very low141 Ų141129.5 Ų129.566%0.65973%0.729SS**  73142.897-65.4171.5172.400114.5
631T39.2Very low41.8Very low118 Ų118129.2 Ų129.272%0.72473%0.732SS**  cis-159.8178.81.912.40000110.6
632S40.4Very low42.1Very low98 Ų98129.8 Ų129.869%0.68573%0.731SS**  trans79.2143.5157.2940000114.5
633N42Very low42.1Very low141 Ų141132.4 Ų132.475%0.75473%0.734SS**  cis-158.3168.55.8-106.4-23.1000107.6
634T40.7Very low42.8Very low107 Ų107132.6 Ų132.666%0.65673%0.734SS**  cis-162.2149.511.3-2.20000110.9
635C40.2Very low42.9Very low106 Ų106132.7 Ų132.772%0.71673%0.729SS**  trans64.1152.4145.9-61.80000121.6
636L40.2Very low43.2Very low153 Ų153132.5 Ų132.580%0.80173%0.728SS**  cis-172.6162-19.4-92.9178.1000105.5
637S41.3Very low43.1Very low72 Ų72130 Ų13050%0.50372%0.72SS.*  cis178.2168.4-28.462.10000110.8
638K44.9Very low43.3Very low196 Ų196129.8 Ų129.885%0.85272%0.719SS**  trans81142.4157.5-67.1167.7-177.3-179.70118
639S46.2Very low43.6Very low112 Ų112133 Ų13378%0.78373%0.732SS**  cis-145.1159.3-0.542.40000113.5
640P50.2Low43.5Very low129 Ų129134.4 Ų134.484%0.83874%0.741SS**  trans-112.6-154-170.344.9-33000112.7
641A45.9Very low43.4Very low78 Ų78134.8 Ų134.865%0.64575%0.747SS**  trans117.5140.7170.400000113.5
642D49Very low43.4Very low142 Ų142137.2 Ų137.276%0.75975%0.75SS**  cis-164.6163.5-13.2-78.6-29.9000105.2
643E44.7Very low43.4Very low157 Ų157139.4 Ų139.473%0.73475%0.753SS**  cis-165.7178.8-25.3-96.4-166.1142.500106.9
644L48.6Very low43.2Very low147 Ų147138.3 Ų138.377%0.7775%0.751SS**  trans71.6153.4167.9-54.3131.5000116.2
645E45.6Very low42.8Very low163 Ų163138.9 Ų138.976%0.76276%0.758SS**  cis-164.3152.4-4.3-106.2162138.300105.8
646D43.6Very low42.4Very low139 Ų139143 Ų14374%0.74377%0.767SS**  cis-163.8-138.3-16.9-155.367.2000112
647T42.5Very low42Very low103 Ų103143.3 Ų143.363%0.63277%0.77SS**  trans-91.1174.6-170.649.50000115.4
648D39.7Very low41.5Very low148 Ų148147.5 Ų147.579%0.79179%0.785SS**  cis-164-168.7-14-108.5-19.9000110.4
649E48.6Very low40.9Very low193 Ų193145.9 Ų145.990%0.90278%0.78SS**  trans93.1101.5162.7-58.5-160.4161.700119.1
650E39.4Very low40.3Very low180 Ų180148.5 Ų148.584%0.84179%0.785SS**  trans-83.6137.6162.6-52.8178.1130.400111.1
651N39.2Very low39.4Very low149 Ų149148.9 Ų148.980%0.79779%0.785SS**  169165.7121-96.4-76.2000113.5
652E39Very low38.7Very low168 Ų168153.7 Ų153.779%0.78579%0.791SS**  trans54.5106.4155.3-102-173.6165.100118.2
653L39.9Very low37.9Very low144 Ų144153.8 Ų153.875%0.75479%0.787SS**  -178.1143.872.3-87.2154.3000113.7
654V37.1Very low37.3Very low118 Ų118156.9 Ų156.972%0.71580%0.798SS**  trans56.694.9141.8-172.90000120.5
655C32.8Very low36.5Very low119 Ų119158.6 Ų158.680%0.80480%0.8SS**  31.8102.3122.7-54.30000121.4
656E32.1Very low35.8Very low192 Ų192157.4 Ų157.490%0.89780%0.799SS**  -164.470.7127.2-122.3-178.4-168.800112.2
657N31.9Very low35.3Very low161 Ų161157.8 Ų157.886%0.86180%0.799SS**  trans-161.168.6179-111.6-53.4000114.8
658I30.3Very low34.8Very low160 Ų160160.8 Ų160.882%0.82181%0.81SS**  trans-141.973.3174.7-45.4178.1000112.4
659Q33.2Very low34.4Very low162 Ų162161.4 Ų161.476%0.75781%0.809SS**  trans-148.316.8174.3-149.5100.915.400116.7
660L32.6Very low33.5Very low167 Ų167157.7 Ų157.787%0.87480%0.795SS**SBendtrans-112.95.6-172-92.2165.6000117.3
661T30.8Very low33Very low137 Ų137154.2 Ų154.284%0.8479%0.786SS**SBendtrans-134.422.8-17550.50000115.1
662K31.9Very low32.5Very low178 Ų178154 Ų15477%0.77478%0.777SS**  trans-131.1-5.4-176.2-102.6177.7179.4172.70117.8
663E31.4Very low32Very low144 Ų144154.6 Ų154.667%0.67378%0.778SS**G310 helixtrans-79.3-22.9-166-60.4-153.2123.300115.8K665E663-K665 PolarHBondContact O-N 3.28Å
664F33.1Very low31.4Very low222 Ų222157.8 Ų157.897%0.97478%0.782SS**G310 helixtrans-74.722176.3-83.1-76000115.1
665K32.7Very low30.9Very low183 Ų183162.9 Ų162.980%0.79679%0.788SS**G310 helixtrans-127.5-0.9178.8-146.3174.9-177.8178.30115.4E663E663-K665 PolarHBondContact O-N 3.28Å
666N29.5Very low30.6Very low138 Ų138165 Ų16574%0.73879%0.79SS**  trans-116.1-2.7-173.9-84.51.6000116.3L668N666-L668 PolarHBondContact O-N 3.21Å
667I33.9Very low30.4Very low148 Ų148161 Ų16176%0.75978%0.779SS**  trans-78.565.5168.6-47-179.1000109.5
668L31.3Very low30.2Very low165 Ų165159 Ų15986%0.86478%0.777SS**  trans-11243.5167-160.477.6000108.8N666 D670N666-L668 PolarHBondContact O-N 3.21Å; L668-D670 PolarHBondContact O-N 3.04Å
669E31.9Very low30.1Very low162 Ų162161.8 Ų161.876%0.75778%0.777SS**  trans-66.496.5-175-68.6-171.4130.500111.7V671E669-V671 VanDerWaalsContact C-N 3.28Å; E669-V671 PolarHBondContact O-N 2.98Å
670D30Very low29.9Very low114 Ų114159.1 Ų159.161%0.6178%0.777SS**  trans41.743.4142.2-136.441.4000117.2L668 K672L668-D670 PolarHBondContact O-N 3.04Å; D670-K672 PolarHBondContact O-N 3.18Å; D670-K672 WeakPolarHBondContact OD2-CE 3.09Å; D670-K672 IonicContact OD2-NZ 2.7Å; D670-K672 PolarHBondContact OD2-NZ 3.29Å
671V29.1Very low29.7Very low107 Ų107155.3 Ų155.365%0.64877%0.769SS**  trans-6487161.7-179.70000107.5E669 F673E669-V671 VanDerWaalsContact C-N 3.28Å; E669-V671 PolarHBondContact O-N 2.98Å; V671-F673 VanDerWaalsContact C-N 3.28Å; V671-F673 HydrophobicContact CB-CE2 4.21Å; V671-F673 HydrophobicContact CG1-CD2 4.22Å; V671-F673 HydrophobicContact CG1-CE2 3.89Å; V671-F673 HydrophobicContact CG1-CZ 4.05Å; V671-F673 WeakPolarHBondContact O-CD2 3.11Å; V671-F673 PolarHBondContact O-N 3.03Å
672K28.6Very low29.6Very low144 Ų144155 Ų15563%0.62677%0.768SS**  trans-64.788.8177-81.8176.3171.4126.30109.8D670 Y674D670-K672 PolarHBondContact O-N 3.18Å; D670-K672 WeakPolarHBondContact OD2-CE 3.09Å; D670-K672 IonicContact OD2-NZ 2.7Å; D670-K672 PolarHBondContact OD2-NZ 3.29Å; K672-Y674 VanDerWaalsContact C-N 3.31Å; K672-Y674 WeakPolarHBondContact O-CD2 3.2Å; K672-Y674 PolarHBondContact O-N 2.78Å
673F28Very low29.5Very low182 Ų182156.8 Ų156.880%0.79877%0.77SS**  trans-6291.7170.8-74.3-83.6000109.4V671 R675V671-F673 VanDerWaalsContact C-N 3.28Å; V671-F673 HydrophobicContact CB-CE2 4.21Å; V671-F673 HydrophobicContact CG1-CD2 4.22Å; V671-F673 HydrophobicContact CG1-CE2 3.89Å; V671-F673 HydrophobicContact CG1-CZ 4.05Å; V671-F673 WeakPolarHBondContact O-CD2 3.11Å; V671-F673 PolarHBondContact O-N 3.03Å; F673-R675 PolarHBondContact O-N 2.76Å
674Y28Very low29.3Very low211 Ų211156.8 Ų156.883%0.82777%0.774SS**  trans-59.392.8161.6-75.6-80.8000108.4K672 L676K672-Y674 VanDerWaalsContact C-N 3.31Å; K672-Y674 WeakPolarHBondContact O-CD2 3.2Å; K672-Y674 PolarHBondContact O-N 2.78Å; Y674-L676 VanDerWaalsContact C-N 3.28Å; Y674-L676 PolarHBondContact O-N 2.66Å
675R25.9Very low29.1Very low225 Ų225148.6 Ų148.685%0.84975%0.752SS**  trans-64.487.2-179-174.9-178.2-174.4179.13.1108.9F673 V677F673-R675 PolarHBondContact O-N 2.76Å; R675-V677 VanDerWaalsContact C-N 3.32Å; R675-V677 PolarHBondContact O-N 2.85Å
676L26.7Very low28.8Very low163 Ų163152.4 Ų152.485%0.85376%0.762SS**  trans-68.391.4-179.3-158.185.5000109.2Y674 S678Y674-L676 VanDerWaalsContact C-N 3.28Å; Y674-L676 PolarHBondContact O-N 2.66Å; L676-S678 PolarHBondContact O-N 2.93Å
677V27.6Very low28.7Very low108 Ų108153.1 Ų153.166%0.65576%0.762SS**  trans-61.4105.6-178.5-177.80000108.7R675 R679R675-V677 VanDerWaalsContact C-N 3.32Å; R675-V677 PolarHBondContact O-N 2.85Å; V677-R679 HydrophobicContact CG1-CG 4.2Å; V677-R679 PolarHBondContact O-N 2.56Å
678S27.8Very low28.3Very low118 Ų118155 Ų15583%0.82577%0.765SS**  trans-79.166.5-177.145.70000111.4L676 S680L676-S678 PolarHBondContact O-N 2.93Å; S678-S680 PolarHBondContact O-N 2.92Å
679R28.5Very low28.2Very low219 Ų219154.3 Ų154.383%0.82676%0.761SS**  trans-61.5106.7167.1-82.1-170.4173.7-173.4-1.6109.5V677V677-R679 HydrophobicContact CG1-CG 4.2Å; V677-R679 PolarHBondContact O-N 2.56Å
680S29.7Very low28Very low106 Ų106154.2 Ų154.274%0.74176%0.759SS**  trans38.5135.5135.554.80000119.3S678S678-S680 PolarHBondContact O-N 2.92Å
681A27.6Very low28.2Very low87 Ų87154.6 Ų154.672%0.71977%0.765SS**  trans-62.8172.9175.700000114.2
682T29.4Very low28.2Very low132 Ų132156.9 Ų156.981%0.8177%0.774SS**  trans74.898.8169.7690000117.4
683W29.8Very low28.5Very low215 Ų215157.9 Ų157.981%0.81478%0.784SS**  -163120119.9-121.253.7000111.3
684D26.8Very low28.9Very low144 Ų144158.6 Ų158.677%0.7779%0.787SS**  trans-98.297.5163.7-80.7-50.4000106.6K332K332-D684 IonicContact NZ-OD1 3Å; K332-D684 IonicContact NZ-OD2 2.66Å; K332-D684 PolarHBondContact NZ-OD2 3.22Å
685G28.1Very low29Very low49 Ų49157.5 Ų157.551%0.50579%0.789SS.*  trans-176130.9-177.900000115.9
686W26.7Very low29.3Very low264 Ų264156.4 Ų156.4100%179%0.794SS**  trans-101.5123.7172.6-65.877.5000110.2
687M28.2Very low29.4Very low153 Ų153152.8 Ų152.875%0.75479%0.788SS**  trans-121.3133.1164-84.1-17070.700111.1
688K25.7Very low29.8Very low188 Ų188154.7 Ų154.782%0.81780%0.799SS**  trans-114.690-176.8-178.3177.6-178.5170.60109.6
689L28.9Very low29.9Very low149 Ų149154.5 Ų154.578%0.7880%0.798SS**  trans-83.1130.7172.9-91.7151.9000110.5
690K26.8Very low30.1Very low161 Ų161153.9 Ų153.970%0.780%0.804SS**  trans-116.5122.6170.5-113.6-166.2173.3-1650107.2
691T35.2Very low30.1Very low122 Ų122156.7 Ų156.775%0.74880%0.804SS**  trans-122110170.537.90000109.2
692N27.5Very low30.2Very low155 Ų155159.6 Ų159.683%0.82981%0.812SS**  trans-91.3113.5165.8-87.1-11.2000107.5
693I36.7Very low30.2Very low164 Ų164158.9 Ų158.984%0.84180%0.802SS**  trans-126.7148161.9-59.9-176.3000107.5
694K36Very low30.3Very low198 Ų198154.5 Ų154.586%0.86180%0.799SS**  trans-80.7163.9-163.3-70.2177.5176.7177.60113.4
695Q28.8Very low30.4Very low188 Ų188154.7 Ų154.788%0.87980%0.795SS**  trans-55146.2161.1-55.5157.9-71.500111.1
696E32.6Very low30.4Very low202 Ų202157.5 Ų157.594%0.94480%0.803SS**  -141.5155128.5-161142.3-125.500107.7
697A29.1Very low30.6Very low87 Ų87150.7 Ų150.772%0.71979%0.786SS**  trans-147.8135.6-168.200000112.6
698T35.5Very low30.9Very low147 Ų147148.6 Ų148.690%0.90278%0.782SS**  trans-139.3121.1167.529.50000110
699S29.7Very low31.1Very low114 Ų114145.9 Ų145.980%0.79778%0.776SS**  trans-83.5149.1179.5-43.90000111.5
700Q33.9Very low31.5Very low206 Ų206145.8 Ų145.896%0.96378%0.775SS**  trans-128.6148.2144.8-94.2-178.42.500110.7
701K29.3Very low32Very low166 Ų166145.1 Ų145.172%0.72277%0.774SS**  trans-151.3122.6-161.5169.7-159.8174.6-169.80108I703K701-I703 HydrophobicContact CG-CD1 4.49Å; K701-I703 HydrophobicContact CG-CG1 4.41Å
702V29.9Very low32Very low148 Ų148144.6 Ų144.690%0.89777%0.767SS**  trans-129.4141.3163.4-176.60000108
703I28.4Very low32.5Very low116 Ų116143.8 Ų143.860%0.59576%0.762SS**  trans-134.6147.1-177.5-69.4179.1000106.8K701K701-I703 HydrophobicContact CG-CD1 4.49Å; K701-I703 HydrophobicContact CG-CG1 4.41Å
704V31.5Very low32.5Very low124 Ų124141.6 Ų141.675%0.75275%0.753SS**  trans172.1109142.6145.70000105.8
705Q29.3Very low32.5Very low147 Ų147138.7 Ų138.769%0.68775%0.745SS**  83.498.663.3-176.3-179.7-12.100110.6
706T29.2Very low32.8Very low109 Ų109135.1 Ų135.167%0.66974%0.736SS**  62.9157.4107.782.60000114.6
707D30.4Very low33.1Very low121 Ų121131.7 Ų131.765%0.64773%0.729SS**  cis-167159.129.4-123-43.9000112.2
708T34.1Very low33.4Very low109 Ų109132.9 Ų132.967%0.66973%0.727SS**  trans61.2162.9152.4620000120.7
709N31.1Very low33.4Very low130 Ų130132.7 Ų132.770%0.69572%0.719SS**  cis-170.9172.3-26.5-99.7-10.9000109.1
710I35.7Very low33.7Very low147 Ų147132.1 Ų132.175%0.75471%0.711SS**  trans70.5155152-73.2149.7000116.3
711E37.5Very low33.8Very low147 Ų147129 Ų12969%0.68770%0.701SS**  cis-167.4156.6-38.4-84.8-165.5117.800104
712N35.1Very low34.2Very low112 Ų112126.3 Ų126.360%0.59970%0.699SS**  cis-164.3-172.5-14.5-90.5-13.2000105.9
713D38.8Very low34.6Very low137 Ų137125.5 Ų125.573%0.73369%0.689SS**  trans67.5151.7147.4-84.330.1000119.5
714N35.7Very low34.9Very low119 Ų119126.4 Ų126.464%0.63670%0.696SS**  cis-164.2173.1-19.7-133.7-38.2000110.6
715I37.8Very low35.4Very low136 Ų136129 Ų12970%0.69770%0.699SS**  trans66.3104.7153.4-66.7163.7000118
716T34.8Very low35.7Very low114 Ų114129.7 Ų129.770%0.69970%0.702SS**  69.4116.189.8-42.10000116.9
717T38.1Very low36.3Very low129 Ų129132.6 Ų132.679%0.79171%0.713SS**  161.1160.7119.638.60000111.4
718V35Very low36.7Very low113 Ų113130 Ų13069%0.68572%0.715SS**  cis-172.6161.8-39.976.30000109
719I36.9Very low37Very low142 Ų142131.1 Ų131.173%0.72872%0.724SS**  trans70.2141.6163.3-71.2171000116.9
720T36.1Very low37.4Very low103 Ų103134 Ų13463%0.63273%0.733SS**  cis-168.1158.1-19.736.70000110.7
721N34.5Very low37.2Very low139 Ų139136.2 Ų136.274%0.74374%0.743SS**  trans70.4150.2144.3-69.96000119.1
722T37.4Very low37.3Very low110 Ų110138.6 Ų138.668%0.67575%0.751SS**  cis-158.6163.72.92.10000113.1
723N38.7Very low37.3Very low131 Ų131140.4 Ų140.470%0.70176%0.761SS**  trans73.9105.1154.2-60.94.4000121.4
724D35.5Very low37.1Very low136 Ų136140.3 Ų140.373%0.72776%0.76SS**  39119.3115.2-47.6-21.5000121.1
725H42.2Very low37Very low179 Ų179137 Ų13783%0.82975%0.747SS**  -163.3171.992.4-119.4-89.3000113.9
726H35.8Very low36.9Very low160 Ų160135.4 Ų135.474%0.74174%0.736SS**  trans-70.1145.1178.3-73.6-95.8000114
727D42.1Very low36.6Very low170 Ų170133.5 Ų133.591%0.90972%0.724SS**  -168.8167.1105.5-96.8-24.3000111.8
728G37.2Very low36.2Very low67 Ų67132.1 Ų132.169%0.69172%0.715SS**  trans-139.6144-171.400000114.6
729P41.5Very low35.7Very low132 Ų132131.2 Ų131.286%0.85771%0.71SS**PPolyproline II helixtrans-93164-172.836.3-36.2000115.5
730E38.4Very low35.3Very low190 Ų190131.8 Ų131.889%0.88871%0.711SS**PPolyproline II helixtrans-70.4165.4-167.8-58.9165.6101.600116.6
731M33.3Very low34.7Very low195 Ų195132.6 Ų132.696%0.96172%0.716SS**PPolyproline II helixtrans-77.7134.3168.4-66.4-174.3175.200111.8
732K37.9Very low34.4Very low196 Ų196130.4 Ų130.485%0.85272%0.718SS**  trans-105.3128.4164.3-75.1-173.8175.4-179.10111N734K732-N734 PolarHBondContact O-N 3.42Å; K732-N734 VanDerWaalsContact O-N 3.17Å
733D34.9Very low33.9Very low150 Ų150137.7 Ų137.780%0.80274%0.74SS**  trans-9073.7-168.6-16013.5000112S735D733-S735 PolarHBondContact O-N 2.84Å
734N34.9Very low33.6Very low135 Ų135138.1 Ų138.172%0.72274%0.742SS**  trans-79.2108.7-179.3-81.83.6000111.7K732K732-N734 PolarHBondContact O-N 3.42Å; K732-N734 VanDerWaalsContact O-N 3.17Å
735S33.9Very low33.5Very low50 Ų50138.2 Ų138.235%0.3574%0.743SS.*  trans-100.6143.6171.138.40000110.6Y247 D733Y247-S735 WeakPolarHBondContact OH-CB 3.46Å; Y247-S735 PolarHBondContact OH-O 3.07Å; Y247-S735 PolarHBondContact OH-OG 2.93Å; Y247-S735 VanDerWaalsContact OH-OG 3.04Å; D733-S735 PolarHBondContact O-N 2.84Å
736H35.1Very low33.1Very low103 Ų103135.9 Ų135.948%0.47774%0.738SS.*  trans-116.1124.5-173.1-71.4-129.7000111.4D57D57-H736 IonicContact OD1-CE1 3.63Å; D57-H736 IonicContact OD2-CE1 3.93Å
737V29.1Very low32.9Very low73 Ų73134.5 Ų134.544%0.44274%0.738SS.*  trans-88.4109.3178-177.60000110.8Y247 V739Y247-V737 HydrophobicContact CD1-CG2 4.45Å; Y247-V737 HydrophobicContact CD2-CG2 3.91Å; Y247-V737 HydrophobicContact CE1-CG2 4.02Å; Y247-V737 HydrophobicContact CE2-CB 4.46Å; Y247-V737 HydrophobicContact CE2-CG2 3.41Å; Y247-V737 VanDerWaalsContact CE2-CG2 3.41Å; Y247-V737 HydrophobicContact CG-CG2 4.38Å; Y247-V737 VanDerWaalsContact CZ-CG2 3.44Å; V737-V739 HydrophobicContact CG1-CG2 4.17Å
738V30Very low32.3Very low101 Ų101132.3 Ų132.361%0.61273%0.728SS**  trans-93.7115.5167.4-179.70000110M740V738-M740 HydrophobicContact CG1-CE 4.31Å; V738-M740 HydrophobicContact CG1-CG 4.37Å
739V25.3Very low32Very low93 Ų93136.6 Ų136.656%0.56473%0.73SS**  trans-88.4115173.1-179.30000109.4V737V737-V739 HydrophobicContact CG1-CG2 4.17Å
740M26.7Very low31.3Very low155 Ų155136.9 Ų136.976%0.76472%0.721SS**  trans-113.2121.3166.9-82.5-173.1-85.700110.6V738V738-M740 HydrophobicContact CG1-CE 4.31Å; V738-M740 HydrophobicContact CG1-CG 4.37Å
741T24.2Very low30.8Very low119 Ų119132.8 Ų132.873%0.7371%0.708SS**  trans-79.9127.3171.5-27.70000109.2
742A28.1Very low30.6Very low94 Ų94127.7 Ų127.778%0.77769%0.687SS**  trans-99.4145.3168.100000110
743F26.9Very low29.9Very low263 Ų263121.5 Ų121.5100%1.15467%0.672SS**  trans-95.40171.4-61-93.4000110.4

Retrieved 743 of 743 residues in 698.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).