A0A3Q0KQ07_SCHMA Loading...

Ubiquitin carboxyl-terminal hydrolase

AlphaFold DB , UniProt , Accession A0A3Q0KQ07, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 893 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
1M40.7Very low73.8Confident242 Ų242110 Ų110100%1.19253%0.531SS*.  0143.80-68.1171.9172.200108.3
2N47.9Very low75.3Confident160 Ų160102.6 Ų102.686%0.85650%0.497SS*.PPolyproline II helixtrans-65138.4171.2-76.9-14.3000109.6K4N2-K4 PolarHBondContact O-N 3.31Å
3K57.2Low76.4Confident151 Ų151102.9 Ų102.966%0.65750%0.503SS*.PPolyproline II helixtrans-65.2117.5169.1-79.8-173.7168.9-174.70107.9D103K3-D103 IonicContact NZ-OD2 3.26Å; K3-D103 PolarHBondContact NZ-OD2 3.02Å
4K73.4Confident77.2Confident62 Ų62100.6 Ų100.627%0.2749%0.49SS..PPolyproline II helixtrans-60.1154.5173.4-61.6165.7-170.9168.60109.8N2 W46 E47 H48 E50 R100N2-K4 PolarHBondContact O-N 3.31Å; K4-W46 PolarHBondContact NZ-O 2.82Å; K4-E47 WeakPolarHBondContact CE-O 3.37Å; K4-E47 PolarHBondContact NZ-O 3.32Å; K4-H48 WeakPolarHBondContact CD-O 3.36Å; K4-E50 HydrophobicContact CD-CG 3.73Å; K4-E50 VanDerWaalsContact CD-OE1 3.31Å; K4-E50 WeakPolarHBondContact CD-OE1 3.03Å; K4-E50 WeakPolarHBondContact CE-OE1 3.36Å; K4-E50 IonicContact NZ-OE1 3.13Å; K4-E50 PolarHBondContact NZ-OE1 3.12Å; K4-R100 VanDerWaalsContact C-NH2 3.29Å; K4-R100 PolarHBondContact O-NH2 2.88Å
5Q74.4Confident78Confident165 Ų16593.9 Ų93.977%0.77146%0.458SS*.PPolyproline II helixtrans-74.2148-178.5-160.1162.81.700111.5R100Q5-R100 PolarHBondContact O-NH2 2.61Å
6L86.2Confident78.7Confident40 Ų4095.1 Ų95.121%0.20946%0.46CS..PPolyproline II helixtrans-102134.1166.5-65.7170.3000107.4E51 L97 R100 Y101 L104L6-E51 HydrophobicContact CD2-CG 4Å; L6-E51 WeakPolarHBondContact CD2-OE1 3.36Å; L6-L97 HydrophobicContact CD2-CD2 4.22Å; L6-R100 HydrophobicContact CD1-CB 4.08Å; L6-R100 HydrophobicContact CD2-CB 4.13Å; L6-R100 HydrophobicContact CG-CB 4.42Å; L6-Y101 HydrophobicContact CB-CE1 4.39Å; L6-Y101 HydrophobicContact CD1-CD1 3.77Å; L6-Y101 HydrophobicContact CD1-CE1 4.05Å; L6-Y101 HydrophobicContact CD2-CD1 4.13Å; L6-Y101 HydrophobicContact CD2-CE1 3.72Å; L6-Y101 HydrophobicContact CG-CD1 4.47Å; L6-Y101 HydrophobicContact CG-CE1 4.28Å; L6-L104 HydrophobicContact CD1-CB 4.19Å; L6-L104 HydrophobicContact CD1-CD2 3.97Å
7Y88.5Confident79.2Confident126 Ų12697.6 Ų97.649%0.49447%0.468SS..  trans-153.2-23.2-175.776.7-78.4000114.8D49 E51Y7-D49 PolarHBondContact OH-OD2 3.29Å; Y7-E51 WeakPolarHBondContact CD1-OE2 3.37Å; Y7-E51 PolarHBondContact N-OE1 3.47Å; Y7-E51 PolarHBondContact N-OE2 2.95Å
8L80.3Confident79.3Confident63 Ų6396.9 Ų96.933%0.3347%0.467SS..SBendtrans-83.3-26.9-174.9-86.4164.3000114.9L15 L18 E51 R52L8-L15 HydrophobicContact CB-CD2 3.73Å; L8-L18 WeakPolarHBondContact O-CD1 3.35Å; L8-E51 HydrophobicContact CB-CB 4.14Å; L8-E51 HydrophobicContact CD1-CB 3.7Å; L8-E51 HydrophobicContact CG-CB 4.43Å; L8-E51 PolarHBondContact N-OE2 2.77Å; L8-R52 HydrophobicContact CD1-CB 4.16Å
9A87.3Confident79.6Confident11 Ų1192.1 Ų92.19%0.09144%0.444CS..  trans-158.9-175.3-173.400000112.5E14 L15 L18 Y101A9-E14 HydrophobicContact CB-CB 3.69Å; A9-L15 HydrophobicContact CB-CD2 3.72Å; A9-L15 HydrophobicContact CB-CG 4.03Å; A9-L18 HydrophobicContact CB-CD1 4.48Å; A9-Y101 VanDerWaalsContact O-CE1 3.3Å; A9-Y101 WeakPolarHBondContact O-CE1 3.42Å
10H85.3Confident79.9Confident153 Ų15394.7 Ų94.771%0.70845%0.453SS*.SBendtrans-116.1-2.2170.4-55.9-25.2000112.8E14 Y101H10-E14 WeakPolarHBondContact CA-OE2 3.44Å; H10-E14 PolarHBondContact N-OE2 3.47Å; H10-Y101 VanDerWaalsContact C-CD1 3.49Å
11S90.5Very high79.9Confident37 Ų3792.6 Ų92.626%0.25944%0.444SS..SBendtrans-155.7157.6178.960.70000112.6D13 E14 L15 Y101S11-D13 PolarHBondContact O-N 3.48Å; S11-E14 PolarHBondContact N-OE2 2.76Å; S11-E14 PolarHBondContact O-N 2.86Å; S11-E14 VanDerWaalsContact O-N 3.14Å; S11-E14 WeakPolarHBondContact OG-CB 3.38Å; S11-E14 WeakPolarHBondContact OG-CG 3.2Å; S11-E14 PolarHBondContact OG-N 2.71Å; S11-E14 PolarHBondContact OG-OE2 3.48Å; S11-L15 PolarHBondContact O-N 2.91Å; S11-Y101 VanDerWaalsContact C-CE2 3.42Å
12V91.8Very high81.9Confident21 Ų2187.8 Ų87.813%0.12742%0.423CS..Hα-helixtrans-63.4-32.4173.9-174.20000111.4E14 L15 K16 Y54 R94 L97 K98 Y101V12-E14 VanDerWaalsContact C-N 3.3Å; V12-E14 PolarHBondContact O-N 2.7Å; V12-L15 PolarHBondContact O-N 3.16Å; V12-K16 WeakPolarHBondContact O-CB 3.28Å; V12-K16 PolarHBondContact O-N 3.32Å; V12-Y54 HydrophobicContact CG1-CE1 3.71Å; V12-R94 HydrophobicContact CG1-CG 4.29Å; V12-L97 HydrophobicContact CG2-CB 4.1Å; V12-K98 HydrophobicContact CG2-CB 3.97Å; V12-Y101 HydrophobicContact CG2-CD2 3.8Å; V12-Y101 HydrophobicContact CG2-CE2 4.04Å
13D89.7Confident83.7Confident107 Ų10780.8 Ų80.857%0.57239%0.385SS*.Hα-helixtrans-68.8-25.9175.4-72.8-57.4000113.4S11 K17S11-D13 PolarHBondContact O-N 3.48Å; D13-K17 VanDerWaalsContact O-CG 3.32Å; D13-K17 WeakPolarHBondContact O-CG 3.24Å; D13-K17 PolarHBondContact O-N 2.92Å; D13-K17 VanDerWaalsContact O-N 3.14Å
14E88Confident84.9Confident70 Ų7084.1 Ų84.133%0.32739%0.394SS..Hα-helixtrans-75.1-42.2169-79.9176.7143.400112.4A9 H10 S11 V12 K16 K17 L18A9-E14 HydrophobicContact CB-CB 3.69Å; H10-E14 WeakPolarHBondContact CA-OE2 3.44Å; H10-E14 PolarHBondContact N-OE2 3.47Å; S11-E14 PolarHBondContact N-OE2 2.76Å; S11-E14 PolarHBondContact O-N 2.86Å; S11-E14 VanDerWaalsContact O-N 3.14Å; S11-E14 WeakPolarHBondContact OG-CB 3.38Å; S11-E14 WeakPolarHBondContact OG-CG 3.2Å; S11-E14 PolarHBondContact OG-N 2.71Å; S11-E14 PolarHBondContact OG-OE2 3.48Å; V12-E14 VanDerWaalsContact C-N 3.3Å; V12-E14 PolarHBondContact O-N 2.7Å; E14-K16 PolarHBondContact O-N 3.06Å; E14-K17 WeakPolarHBondContact O-CA 3.31Å; E14-K17 WeakPolarHBondContact O-CB 3.12Å; E14-K17 PolarHBondContact O-N 2.98Å; E14-L18 WeakPolarHBondContact O-CG 3.3Å; E14-L18 PolarHBondContact O-N 3.46Å
15L89.1Confident85.4Confident0 Ų082.7 Ų82.70%039%0.392CS..Hα-helixtrans-55.5-39.4169.9-63.7-178.7000111.4L8 A9 S11 V12 K17 L18 S19 E51 Y54 V55 L97 Y101L8-L15 HydrophobicContact CB-CD2 3.73Å; A9-L15 HydrophobicContact CB-CD2 3.72Å; A9-L15 HydrophobicContact CB-CG 4.03Å; S11-L15 PolarHBondContact O-N 2.91Å; V12-L15 PolarHBondContact O-N 3.16Å; L15-K17 VanDerWaalsContact C-N 3.28Å; L15-K17 PolarHBondContact O-N 3.44Å; L15-L18 HydrophobicContact CD2-CD1 4.39Å; L15-L18 PolarHBondContact O-N 3.08Å; L15-L18 VanDerWaalsContact O-N 3.16Å; L15-S19 PolarHBondContact O-N 3.5Å; L15-E51 HydrophobicContact CD1-CB 4.28Å; L15-E51 HydrophobicContact CD1-CG 4.29Å; L15-E51 HydrophobicContact CD2-CB 4.1Å; L15-E51 HydrophobicContact CD2-CG 4.43Å; L15-Y54 HydrophobicContact CB-CD1 3.84Å; L15-Y54 HydrophobicContact CB-CE1 4.12Å; L15-Y54 HydrophobicContact CD1-CD1 3.87Å; L15-V55 HydrophobicContact CB-CG2 3.99Å; L15-V55 HydrophobicContact CD2-CG2 3.95Å; L15-V55 HydrophobicContact CG-CG2 4.5Å; L15-L97 HydrophobicContact CD1-CD1 3.73Å; L15-Y101 HydrophobicContact CD1-CE2 3.91Å; L15-Y101 WeakPolarHBondContact CD1-OH 3.45Å; L15-Y101 WeakPolarHBondContact CD2-OH 3.07Å; L15-Y101 HydrophobicContact CG-CE2 4.28Å; L15-Y101 WeakPolarHBondContact CG-OH 3.29Å
16K89Confident86.1Confident113 Ų11379.2 Ų79.249%0.49138%0.382SS..Hα-helixtrans-72.2-15.4176.8-161.3174.9-178.6-178.50114V12 E14 S19V12-K16 WeakPolarHBondContact O-CB 3.28Å; V12-K16 PolarHBondContact O-N 3.32Å; E14-K16 PolarHBondContact O-N 3.06Å; K16-S19 PolarHBondContact O-OG 3.27Å; K16-S19 VanDerWaalsContact O-OG 3.04Å
17K86.8Confident86.2Confident139 Ų13981 Ų8160%0.60439%0.394SS*.Hα-helixtrans-82-43.2164-68163-163.8164.20110.7D13 E14 L15 S19 K20D13-K17 VanDerWaalsContact O-CG 3.32Å; D13-K17 WeakPolarHBondContact O-CG 3.24Å; D13-K17 PolarHBondContact O-N 2.92Å; D13-K17 VanDerWaalsContact O-N 3.14Å; E14-K17 WeakPolarHBondContact O-CA 3.31Å; E14-K17 WeakPolarHBondContact O-CB 3.12Å; E14-K17 PolarHBondContact O-N 2.98Å; L15-K17 VanDerWaalsContact C-N 3.28Å; L15-K17 PolarHBondContact O-N 3.44Å; K17-S19 PolarHBondContact O-N 2.93Å; K17-K20 WeakPolarHBondContact O-CB 3.31Å; K17-K20 PolarHBondContact O-N 3.5Å
18L82Confident86.1Confident85 Ų8577.5 Ų77.545%0.44539%0.387SS..Hα-helixtrans-63.9-18.4178-66.4172.9000113.8L8 A9 E14 L15 V55 K59L8-L18 WeakPolarHBondContact O-CD1 3.35Å; A9-L18 HydrophobicContact CB-CD1 4.48Å; E14-L18 WeakPolarHBondContact O-CG 3.3Å; E14-L18 PolarHBondContact O-N 3.46Å; L15-L18 HydrophobicContact CD2-CD1 4.39Å; L15-L18 PolarHBondContact O-N 3.08Å; L15-L18 VanDerWaalsContact O-N 3.16Å; L18-V55 HydrophobicContact CB-CG2 4.41Å; L18-K59 WeakPolarHBondContact O-CE 3.5Å
19S85Confident86.3Confident5 Ų577.8 Ų77.84%0.03540%0.399CS..THydrogen-bonded Turntrans-80.5-8.6171.762.30000115L15 K16 K17 I21 M58 K59L15-S19 PolarHBondContact O-N 3.5Å; K16-S19 PolarHBondContact O-OG 3.27Å; K16-S19 VanDerWaalsContact O-OG 3.04Å; K17-S19 PolarHBondContact O-N 2.93Å; S19-I21 PolarHBondContact O-N 2.92Å; S19-M58 WeakPolarHBondContact OG-CB 3.29Å; S19-K59 VanDerWaalsContact O-CG 3.3Å; S19-K59 WeakPolarHBondContact O-CG 3.41Å
20K85.6Confident86.2Confident143 Ų14380.4 Ų80.462%0.62241%0.413SS*.  trans-67.4122.4179.4-75.2-72.6174.3-166.50111.4K17 E62K17-K20 WeakPolarHBondContact O-CB 3.31Å; K17-K20 PolarHBondContact O-N 3.5Å; K20-E62 WeakPolarHBondContact CE-OE1 3.49Å; K20-E62 IonicContact NZ-OE1 2.73Å; K20-E62 PolarHBondContact NZ-OE1 3.11Å
21I79.6Confident86.4Confident52 Ų5273.1 Ų73.127%0.26738%0.38SS..  trans-131.6136-178.147168.3000111.6S19 I23 K59 E62 Y63S19-I21 PolarHBondContact O-N 2.92Å; I21-I23 HydrophobicContact CD1-CD1 4.05Å; I21-I23 HydrophobicContact CD1-CG1 3.91Å; I21-I23 HydrophobicContact CG1-CD1 4.29Å; I21-I23 HydrophobicContact CG1-CG1 4.03Å; I21-I23 PolarHBondContact O-N 2.81Å; I21-I23 VanDerWaalsContact O-N 3.14Å; I21-K59 HydrophobicContact CD1-CB 3.94Å; I21-K59 HydrophobicContact CD1-CG 4Å; I21-K59 HydrophobicContact CG1-CG 4.28Å; I21-K59 HydrophobicContact CG2-CD 4.08Å; I21-K59 HydrophobicContact CG2-CG 4.09Å; I21-E62 HydrophobicContact CD1-CB 4.49Å; I21-E62 HydrophobicContact CG1-CB 4.28Å; I21-Y63 HydrophobicContact CD1-CD2 3.6Å; I21-Y63 HydrophobicContact CD1-CE2 3.52Å
22N81.9Confident86.3Confident140 Ų14075 Ų7575%0.74938%0.384SS*.  trans-85.284.8177.9-172.8-10000110.3R24N22-R24 PolarHBondContact O-N 2.8Å
23I86.7Confident86.1Confident13 Ų1383.8 Ų83.87%0.06742%0.415CS..  trans-7098.9-178.4-58.6167.9000109.7I21 L31 E62 Y63 K66I21-I23 HydrophobicContact CD1-CD1 4.05Å; I21-I23 HydrophobicContact CD1-CG1 3.91Å; I21-I23 HydrophobicContact CG1-CD1 4.29Å; I21-I23 HydrophobicContact CG1-CG1 4.03Å; I21-I23 PolarHBondContact O-N 2.81Å; I21-I23 VanDerWaalsContact O-N 3.14Å; I23-L31 HydrophobicContact CG2-CD2 3.64Å; I23-E62 HydrophobicContact CD1-CB 4.05Å; I23-Y63 HydrophobicContact CD1-CD1 3.94Å; I23-Y63 HydrophobicContact CD1-CD2 3.9Å; I23-Y63 HydrophobicContact CD1-CE1 4.3Å; I23-Y63 HydrophobicContact CD1-CE2 4.31Å; I23-Y63 HydrophobicContact CD1-CG 3.72Å; I23-Y63 HydrophobicContact CG1-CD1 4.33Å; I23-Y63 HydrophobicContact CG1-CD2 4.3Å; I23-Y63 HydrophobicContact CG1-CE1 4.18Å; I23-Y63 HydrophobicContact CG1-CE2 4.2Å; I23-Y63 HydrophobicContact CG1-CG 4.38Å; I23-Y63 HydrophobicContact CG2-CD1 4.02Å; I23-Y63 HydrophobicContact CG2-CE1 3.69Å; I23-K66 HydrophobicContact CB-CD 4.19Å; I23-K66 HydrophobicContact CD1-CB 4.28Å; I23-K66 HydrophobicContact CG2-CD 4.01Å; I23-K66 HydrophobicContact CG2-CG 4Å; I23-K66 PolarHBondContact O-NZ 3.27Å
24R81.1Confident86.2Confident221 Ų22182.3 Ų82.383%0.83441%0.405SS*.  trans-76.5-30.7-179.6-65.3-177.6-178.5175.70.4113.9N22N22-R24 PolarHBondContact O-N 2.8Å
25S84.2Confident86.4Confident33 Ų3379.1 Ų79.123%0.23139%0.39CS..  trans-68.5144.9-177.1-172.80000112.4V27 K66S25-V27 PolarHBondContact OG-N 3.23Å; S25-K66 WeakPolarHBondContact O-CE 3.35Å
26T88.9Confident86.4Confident91 Ų9182.6 Ų82.656%0.55842%0.415SS*.  trans-118.1-0.1171.851.80000112.5P28T26-P28 WeakPolarHBondContact O-CD 3.45Å
27V88.3Confident86.4Confident78 Ų7882 Ų8247%0.47342%0.416SS..  trans-87.6115.7-176-179.50000109.9S25 A29 V30 L31S25-V27 PolarHBondContact OG-N 3.23Å; V27-A29 VanDerWaalsContact C-N 3.33Å; V27-A29 PolarHBondContact O-N 3.44Å; V27-V30 HydrophobicContact CB-CB 4.26Å; V27-V30 HydrophobicContact CB-CG2 3.93Å; V27-V30 HydrophobicContact CG1-CG2 3.98Å; V27-V30 WeakPolarHBondContact O-CB 3.4Å; V27-V30 PolarHBondContact O-N 3.42Å; V27-L31 PolarHBondContact O-N 3.22Å; V27-L31 VanDerWaalsContact O-N 3.14Å
28P87.3Confident86.8Confident53 Ų5376.2 Ų76.234%0.34439%0.392SS..Hα-helixtrans-55.5-41.1-172.9-30.137.3000114.7T26 V30 L31 Q32 L67 T71T26-P28 WeakPolarHBondContact O-CD 3.45Å; P28-V30 VanDerWaalsContact C-N 3.3Å; P28-V30 PolarHBondContact O-N 3.1Å; P28-L31 PolarHBondContact O-N 3.18Å; P28-Q32 PolarHBondContact O-N 3.02Å; P28-L67 HydrophobicContact CB-CD1 3.8Å; P28-T71 HydrophobicContact CB-CG2 4.25Å; P28-T71 HydrophobicContact CG-CG2 4.24Å
29A83.5Confident87.3Confident69 Ų6973.2 Ų73.257%0.5738%0.375SS*.Hα-helixtrans-64.6-31.9178.800000113.3V27 R33V27-A29 VanDerWaalsContact C-N 3.33Å; V27-A29 PolarHBondContact O-N 3.44Å; A29-R33 WeakPolarHBondContact O-CB 3.26Å; A29-R33 PolarHBondContact O-N 3.48Å; A29-R33 VanDerWaalsContact O-N 3.14Å
30V86.1Confident87.6Confident66 Ų6676.8 Ų76.840%0.440%0.399SS..Hα-helixtrans-71.8-44.2174.2178.20000109.8V27 P28 Q32 R33 E34V27-V30 HydrophobicContact CB-CB 4.26Å; V27-V30 HydrophobicContact CB-CG2 3.93Å; V27-V30 HydrophobicContact CG1-CG2 3.98Å; V27-V30 WeakPolarHBondContact O-CB 3.4Å; V27-V30 PolarHBondContact O-N 3.42Å; P28-V30 VanDerWaalsContact C-N 3.3Å; P28-V30 PolarHBondContact O-N 3.1Å; V30-Q32 PolarHBondContact O-N 3.42Å; V30-R33 PolarHBondContact O-N 3.19Å; V30-E34 HydrophobicContact CG1-CG 4.46Å; V30-E34 WeakPolarHBondContact O-CG 3.47Å; V30-E34 PolarHBondContact O-N 3.19Å
31L90.1Very high87.9Confident0 Ų073.7 Ų73.70%039%0.387CS..Hα-helixtrans-60.9-42.8177.1-58.8177.5000111.7I23 V27 P28 E34 M35 Y63 K66 L67 L70I23-L31 HydrophobicContact CG2-CD2 3.64Å; V27-L31 PolarHBondContact O-N 3.22Å; V27-L31 VanDerWaalsContact O-N 3.14Å; P28-L31 PolarHBondContact O-N 3.18Å; L31-E34 PolarHBondContact O-N 3.23Å; L31-M35 WeakPolarHBondContact O-CB 3.25Å; L31-M35 WeakPolarHBondContact O-CG 3.42Å; L31-M35 PolarHBondContact O-N 3.27Å; L31-Y63 HydrophobicContact CB-CD1 4.34Å; L31-Y63 HydrophobicContact CD2-CD1 3.67Å; L31-Y63 HydrophobicContact CD2-CE1 3.68Å; L31-K66 HydrophobicContact CD1-CG 4Å; L31-K66 HydrophobicContact CD2-CG 4.36Å; L31-L67 HydrophobicContact CB-CB 4.49Å; L31-L67 HydrophobicContact CB-CD1 4.29Å; L31-L67 HydrophobicContact CD1-CB 4.34Å; L31-L67 HydrophobicContact CD1-CD1 4.32Å; L31-L70 HydrophobicContact CD1-CD1 3.49Å; L31-L70 VanDerWaalsContact CD1-CD1 3.49Å
32Q88Confident88.6Confident76 Ų7671.2 Ų71.236%0.35537%0.374SS..Hα-helixtrans-62.8-41.7174.7-74.3-177.4-68.100112.4P28 V30 M35 S36 L67P28-Q32 PolarHBondContact O-N 3.02Å; V30-Q32 PolarHBondContact O-N 3.42Å; Q32-M35 WeakPolarHBondContact O-CB 3.26Å; Q32-M35 PolarHBondContact O-N 3.43Å; Q32-S36 PolarHBondContact O-N 2.99Å; Q32-S36 PolarHBondContact O-OG 2.58Å; Q32-L67 HydrophobicContact CG-CD1 4.43Å; Q32-L67 HydrophobicContact CG-CD2 3.68Å
33R87.5Confident89Confident206 Ų20667 Ų6778%0.77735%0.351SS*.Hα-helixtrans-64.6-42.7179.2-161.9174.7-165.2148.63.9112.1A29 V30 S36 L37A29-R33 WeakPolarHBondContact O-CB 3.26Å; A29-R33 PolarHBondContact O-N 3.48Å; A29-R33 VanDerWaalsContact O-N 3.14Å; V30-R33 PolarHBondContact O-N 3.19Å; R33-S36 PolarHBondContact O-N 3.05Å; R33-L37 PolarHBondContact O-N 3.13Å
34E91Very high89.2Confident75 Ų7573 Ų7335%0.3538%0.379SS..Hα-helixtrans-62.2-42.6172.9-70.6-78.6130.900111.8V30 L31 L37 L38 Y63V30-E34 HydrophobicContact CG1-CG 4.46Å; V30-E34 WeakPolarHBondContact O-CG 3.47Å; V30-E34 PolarHBondContact O-N 3.19Å; L31-E34 PolarHBondContact O-N 3.23Å; E34-L37 PolarHBondContact O-N 3.42Å; E34-L38 WeakPolarHBondContact O-CB 3.31Å; E34-L38 WeakPolarHBondContact O-CG 3.29Å; E34-L38 PolarHBondContact O-N 3.34Å; E34-Y63 HydrophobicContact CB-CD1 4.03Å; E34-Y63 HydrophobicContact CB-CE1 3.54Å; E34-Y63 HydrophobicContact CB-CE2 4.08Å; E34-Y63 HydrophobicContact CG-CE1 3.85Å; E34-Y63 WeakPolarHBondContact CG-OH 3.25Å; E34-Y63 PolarHBondContact OE2-OH 3.25Å
35M91.9Very high89.7Confident3 Ų363.7 Ų63.72%0.01535%0.347CS..Hα-helixtrans-60-48.7174.9-75.9167.453.300112.3L31 Q32 L37 L38 K39 Y60 Y63 Y64 L67 L79L31-M35 WeakPolarHBondContact O-CB 3.25Å; L31-M35 WeakPolarHBondContact O-CG 3.42Å; L31-M35 PolarHBondContact O-N 3.27Å; Q32-M35 WeakPolarHBondContact O-CB 3.26Å; Q32-M35 PolarHBondContact O-N 3.43Å; M35-L37 VanDerWaalsContact C-N 3.29Å; M35-L37 PolarHBondContact O-N 3.03Å; M35-L38 PolarHBondContact O-N 3.48Å; M35-K39 WeakPolarHBondContact O-CB 3.23Å; M35-K39 PolarHBondContact O-N 3.01Å; M35-Y60 HydrophobicContact CB-CD2 3.88Å; M35-Y60 HydrophobicContact CB-CE2 3.9Å; M35-Y60 HydrophobicContact CE-CE2 3.96Å; M35-Y60 HydrophobicContact CG-CD2 4.2Å; M35-Y60 HydrophobicContact CG-CE2 4.36Å; M35-Y60 WeakPolarHBondContact O-CD2 3.49Å; M35-Y63 VanDerWaalsContact CG-CB 3.5Å; M35-Y63 HydrophobicContact CG-CG 4.35Å; M35-Y64 HydrophobicContact CE-CD2 3.81Å; M35-Y64 HydrophobicContact CE-CG 4.43Å; M35-L67 HydrophobicContact CE-CD2 4.23Å; M35-L67 HydrophobicContact SD-CB 4.31Å; M35-L67 HydrophobicContact SD-CD2 3.77Å; M35-L79 HydrophobicContact CE-CD1 4.12Å
36S89Confident89.8Confident74 Ų7464.4 Ų64.452%0.51735%0.345SS..Hα-helixtrans-61-39.6178.2-63.10000111.6Q32 R33 C40Q32-S36 PolarHBondContact O-N 2.99Å; Q32-S36 PolarHBondContact O-OG 2.58Å; R33-S36 PolarHBondContact O-N 3.05Å; S36-C40 VanDerWaalsContact O-CB 3.26Å; S36-C40 WeakPolarHBondContact O-CB 3.44Å; S36-C40 PolarHBondContact O-N 3.41Å
37L90.8Very high89.6Confident99 Ų9966.6 Ų66.652%0.51835%0.348SS..Hα-helixtrans-64.3-49.1176.4-15982000111.8R33 E34 M35 K39 C40 Q41R33-L37 PolarHBondContact O-N 3.13Å; E34-L37 PolarHBondContact O-N 3.42Å; M35-L37 VanDerWaalsContact C-N 3.29Å; M35-L37 PolarHBondContact O-N 3.03Å; L37-K39 PolarHBondContact O-N 2.79Å; L37-C40 PolarHBondContact O-N 3.07Å; L37-Q41 WeakPolarHBondContact O-CG 3.23Å; L37-Q41 PolarHBondContact O-N 3.38Å
38L93.8Very high89.5Confident18 Ų1869.6 Ų69.69%0.09436%0.357CS..Hα-helixtrans-61.5-42.3177.9-75.5168.4000112.2E34 M35 A42 L56 K59 Y63E34-L38 WeakPolarHBondContact O-CB 3.31Å; E34-L38 WeakPolarHBondContact O-CG 3.29Å; E34-L38 PolarHBondContact O-N 3.34Å; M35-L38 PolarHBondContact O-N 3.48Å; L38-A42 VanDerWaalsContact O-CB 3.24Å; L38-A42 WeakPolarHBondContact O-CB 3.48Å; L38-A42 PolarHBondContact O-N 2.89Å; L38-L56 HydrophobicContact CD2-CD2 3.77Å; L38-K59 HydrophobicContact CD1-CB 4.06Å; L38-K59 HydrophobicContact CD2-CB 4.16Å; L38-Y63 HydrophobicContact CD1-CD2 3.41Å; L38-Y63 VanDerWaalsContact CD1-CD2 3.41Å; L38-Y63 HydrophobicContact CD1-CE2 3.63Å; L38-Y63 HydrophobicContact CD1-CG 4.43Å
39K92.7Very high89.6Confident22 Ų2268.4 Ų68.410%0.09635%0.348CS..Hα-helixtrans-64.8-41176.2-179.9176.9175.2179.20111.7M35 L37 A42 N43 Y60 E82 S86M35-K39 WeakPolarHBondContact O-CB 3.23Å; M35-K39 PolarHBondContact O-N 3.01Å; L37-K39 PolarHBondContact O-N 2.79Å; K39-A42 PolarHBondContact O-N 2.95Å; K39-N43 WeakPolarHBondContact O-CB 3.45Å; K39-N43 VanDerWaalsContact O-CG 3.22Å; K39-N43 PolarHBondContact O-N 2.99Å; K39-N43 PolarHBondContact O-ND2 2.97Å; K39-N43 VanDerWaalsContact O-ND2 3.12Å; K39-Y60 HydrophobicContact CB-CD2 3.93Å; K39-Y60 HydrophobicContact CB-CE2 3.98Å; K39-Y60 HydrophobicContact CD-CE2 4.23Å; K39-E82 PolarHBondContact NZ-O 3Å; K39-E82 IonicContact NZ-OE1 3.76Å; K39-E82 PolarHBondContact NZ-OE1 3.44Å; K39-S86 WeakPolarHBondContact CE-OG 3.34Å
40C90.6Very high90.1Very high80 Ų8066.4 Ų66.454%0.54133%0.327SS..Hα-helixtrans-61.3-52.4176.7-1720000110.7S36 L37 A42 N43 E44S36-C40 VanDerWaalsContact O-CB 3.26Å; S36-C40 WeakPolarHBondContact O-CB 3.44Å; S36-C40 PolarHBondContact O-N 3.41Å; L37-C40 PolarHBondContact O-N 3.07Å; C40-A42 VanDerWaalsContact C-N 3.34Å; C40-A42 PolarHBondContact O-N 2.81Å; C40-N43 PolarHBondContact O-N 2.83Å; C40-E44 WeakPolarHBondContact O-CB 3.37Å; C40-E44 PolarHBondContact O-N 3.18Å
41Q92.6Very high90.4Very high78 Ų7863.3 Ų63.336%0.36431%0.308SS..Hα-helixtrans-60.1-40.1176.2-69.4177.5-8.400112.7L37 N43 E44 V45 L56L37-Q41 WeakPolarHBondContact O-CG 3.23Å; L37-Q41 PolarHBondContact O-N 3.38Å; Q41-N43 VanDerWaalsContact C-N 3.32Å; Q41-N43 PolarHBondContact O-N 3.06Å; Q41-E44 PolarHBondContact O-N 3.47Å; Q41-V45 WeakPolarHBondContact O-CG2 3.43Å; Q41-V45 PolarHBondContact O-N 3.42Å; Q41-V45 VanDerWaalsContact O-N 3.08Å; Q41-L56 HydrophobicContact CB-CD1 3.98Å; Q41-L56 HydrophobicContact CB-CD2 4.48Å
42A94.9Very high90.6Very high0 Ų069.6 Ų69.60%033%0.332CS..Hα-helixtrans-64.1-36.4178.600000112.6L38 K39 C40 W46 L56 F57L38-A42 VanDerWaalsContact O-CB 3.24Å; L38-A42 WeakPolarHBondContact O-CB 3.48Å; L38-A42 PolarHBondContact O-N 2.89Å; K39-A42 PolarHBondContact O-N 2.95Å; C40-A42 VanDerWaalsContact C-N 3.34Å; C40-A42 PolarHBondContact O-N 2.81Å; A42-W46 WeakPolarHBondContact O-CB 3.33Å; A42-W46 PolarHBondContact O-N 2.88Å; A42-L56 HydrophobicContact CB-CB 3.67Å; A42-F57 HydrophobicContact CB-CD1 4.25Å; A42-F57 HydrophobicContact CB-CD2 3.71Å; A42-F57 HydrophobicContact CB-CE1 4.15Å; A42-F57 HydrophobicContact CB-CE2 3.59Å; A42-F57 HydrophobicContact CB-CG 4.03Å; A42-F57 HydrophobicContact CB-CZ 3.83Å
43N90.6Very high90.9Very high51 Ų5166 Ų6627%0.27332%0.315SS..Hα-helixtrans-74-34.6174.7-70-32.9000112.6K39 C40 Q41 W46 F57 R89K39-N43 WeakPolarHBondContact O-CB 3.45Å; K39-N43 VanDerWaalsContact O-CG 3.22Å; K39-N43 PolarHBondContact O-N 2.99Å; K39-N43 PolarHBondContact O-ND2 2.97Å; K39-N43 VanDerWaalsContact O-ND2 3.12Å; C40-N43 PolarHBondContact O-N 2.83Å; Q41-N43 VanDerWaalsContact C-N 3.32Å; Q41-N43 PolarHBondContact O-N 3.06Å; N43-W46 VanDerWaalsContact O-CB 3.22Å; N43-W46 WeakPolarHBondContact O-CB 3.22Å; N43-F57 WeakPolarHBondContact OD1-CZ 3.43Å; N43-R89 VanDerWaalsContact CG-NH1 3.31Å; N43-R89 PolarHBondContact OD1-NH1 3.4Å
44E90.7Very high91.3Very high139 Ų13956.6 Ų56.665%0.6528%0.279SS*.Hα-helixtrans-67.9-45.4179.5-177.2179.9-147.900111.8C40 Q41C40-E44 WeakPolarHBondContact O-CB 3.37Å; C40-E44 PolarHBondContact O-N 3.18Å; Q41-E44 PolarHBondContact O-N 3.47Å
45V91Very high91.4Very high26 Ų2653.7 Ų53.716%0.15827%0.266CS..Hα-helixtrans-84.5-7.9178.1-57.60000114.1Q41 E47 H48 D49 R52 A53 L56Q41-V45 WeakPolarHBondContact O-CG2 3.43Å; Q41-V45 PolarHBondContact O-N 3.42Å; Q41-V45 VanDerWaalsContact O-N 3.08Å; V45-E47 VanDerWaalsContact C-N 3.35Å; V45-E47 PolarHBondContact O-N 3Å; V45-H48 PolarHBondContact O-N 2.84Å; V45-D49 HydrophobicContact CB-CB 4.39Å; V45-D49 PolarHBondContact O-N 3.34Å; V45-R52 HydrophobicContact CG2-CB 4.38Å; V45-R52 HydrophobicContact CG2-CG 4.21Å; V45-A53 HydrophobicContact CG2-CB 3.9Å; V45-L56 HydrophobicContact CG2-CD1 3.85Å
46W87.5Confident91.5Very high49 Ų4954.4 Ų54.419%0.18627%0.27CS..THydrogen-bonded Turntrans-44.1-51.9-177.9173.2-101.6000114.2K4 A42 N43 H48 F57 R89 I92 L93K4-W46 PolarHBondContact NZ-O 2.82Å; A42-W46 WeakPolarHBondContact O-CB 3.33Å; A42-W46 PolarHBondContact O-N 2.88Å; N43-W46 VanDerWaalsContact O-CB 3.22Å; N43-W46 WeakPolarHBondContact O-CB 3.22Å; W46-H48 VanDerWaalsContact C-N 3.26Å; W46-H48 PolarHBondContact O-N 3.11Å; W46-F57 AromaticContact CE3-CE2 3.85Å; W46-F57 HydrophobicContact CE3-CE2 3.85Å; W46-F57 HydrophobicContact CZ3-CE2 4.06Å; W46-R89 HydrophobicContact CE3-CB 4.18Å; W46-R89 HydrophobicContact CE3-CG 4.39Å; W46-R89 VanDerWaalsContact CH2-CA 3.47Å; W46-R89 HydrophobicContact CH2-CB 3.63Å; W46-R89 HydrophobicContact CH2-CG 3.77Å; W46-R89 WeakPolarHBondContact CH2-O 3.43Å; W46-R89 HydrophobicContact CZ2-CG 4.18Å; W46-R89 HydrophobicContact CZ3-CB 3.39Å; W46-R89 HydrophobicContact CZ3-CG 3.85Å; W46-R89 WeakPolarHBondContact CZ3-O 3.35Å; W46-I92 HydrophobicContact CH2-CB 4.03Å; W46-I92 HydrophobicContact CH2-CG2 4.02Å; W46-I92 HydrophobicContact CZ2-CB 4.48Å; W46-I92 HydrophobicContact CZ2-CG2 4.06Å; W46-L93 HydrophobicContact CE3-CD1 3.53Å; W46-L93 HydrophobicContact CE3-CD2 4.34Å; W46-L93 HydrophobicContact CE3-CG 3.81Å; W46-L93 HydrophobicContact CH2-CD1 4.32Å; W46-L93 HydrophobicContact CH2-CG 3.83Å; W46-L93 HydrophobicContact CZ3-CB 4.37Å; W46-L93 HydrophobicContact CZ3-CD1 3.3Å; W46-L93 HydrophobicContact CZ3-CD2 4.19Å; W46-L93 HydrophobicContact CZ3-CG 3.29Å
47E83.2Confident91.9Very high136 Ų13650.9 Ų50.964%0.63625%0.246SC*.THydrogen-bonded Turntrans-78.5-7.7-174.9-62.6-157163.400113.7K4 V45K4-E47 WeakPolarHBondContact CE-O 3.37Å; K4-E47 PolarHBondContact NZ-O 3.32Å; V45-E47 VanDerWaalsContact C-N 3.35Å; V45-E47 PolarHBondContact O-N 3Å
48H85.7Confident92.1Very high142 Ų14247.5 Ų47.566%0.65723%0.227SC*.THydrogen-bonded Turntrans-124.1-42.3-167.2-55-26.3000113.1K4 V45 W46K4-H48 WeakPolarHBondContact CD-O 3.36Å; V45-H48 PolarHBondContact O-N 2.84Å; W46-H48 VanDerWaalsContact C-N 3.26Å; W46-H48 PolarHBondContact O-N 3.11Å
49D91.4Very high92.1Very high27 Ų2749.2 Ų49.214%0.14423%0.234CC..  trans-13491.7-177.4-178.1-10000110.3Y7 V45 E51 R52 A53Y7-D49 PolarHBondContact OH-OD2 3.29Å; V45-D49 HydrophobicContact CB-CB 4.39Å; V45-D49 PolarHBondContact O-N 3.34Å; D49-E51 PolarHBondContact OD1-N 3.07Å; D49-R52 HydrophobicContact CB-CB 4.16Å; D49-R52 WeakPolarHBondContact OD1-CB 3.19Å; D49-R52 PolarHBondContact OD1-N 3.2Å; D49-R52 WeakPolarHBondContact OD2-CB 3.25Å; D49-R52 WeakPolarHBondContact OD2-CD 3.48Å; D49-A53 VanDerWaalsContact O-CB 3.26Å; D49-A53 WeakPolarHBondContact O-CB 3.3Å; D49-A53 PolarHBondContact O-N 2.86Å
50E92.5Very high92.2Very high28 Ų2848.3 Ų48.313%0.13123%0.23CC..Hα-helixtrans-66.5-37.4-176.6-70174.8-167.400112.7K4 Y54 L93 S96 L97 R100K4-E50 HydrophobicContact CD-CG 3.73Å; K4-E50 VanDerWaalsContact CD-OE1 3.31Å; K4-E50 WeakPolarHBondContact CD-OE1 3.03Å; K4-E50 WeakPolarHBondContact CE-OE1 3.36Å; K4-E50 IonicContact NZ-OE1 3.13Å; K4-E50 PolarHBondContact NZ-OE1 3.12Å; E50-Y54 WeakPolarHBondContact O-CB 3.42Å; E50-Y54 PolarHBondContact O-N 3.04Å; E50-L93 HydrophobicContact CB-CD2 3.47Å; E50-L93 VanDerWaalsContact CB-CD2 3.47Å; E50-L93 HydrophobicContact CG-CD2 3.55Å; E50-S96 PolarHBondContact OE2-OG 2.75Å; E50-L97 HydrophobicContact CB-CD2 3.83Å; E50-L97 HydrophobicContact CB-CG 4.22Å; E50-R100 IonicContact OE2-CZ 3.35Å; E50-R100 IonicContact OE2-NH1 2.72Å; E50-R100 PolarHBondContact OE2-NH1 3.26Å
51E93.3Very high92.4Very high0 Ų046.6 Ų46.60%021%0.214CC..Hα-helixtrans-65.5-46.4-179-69.1-177.2136.900110.3L6 Y7 L8 L15 D49 Y54 V55 L97 Y101L6-E51 HydrophobicContact CD2-CG 4Å; L6-E51 WeakPolarHBondContact CD2-OE1 3.36Å; Y7-E51 WeakPolarHBondContact CD1-OE2 3.37Å; Y7-E51 PolarHBondContact N-OE1 3.47Å; Y7-E51 PolarHBondContact N-OE2 2.95Å; L8-E51 HydrophobicContact CB-CB 4.14Å; L8-E51 HydrophobicContact CD1-CB 3.7Å; L8-E51 HydrophobicContact CG-CB 4.43Å; L8-E51 PolarHBondContact N-OE2 2.77Å; L15-E51 HydrophobicContact CD1-CB 4.28Å; L15-E51 HydrophobicContact CD1-CG 4.29Å; L15-E51 HydrophobicContact CD2-CB 4.1Å; L15-E51 HydrophobicContact CD2-CG 4.43Å; D49-E51 PolarHBondContact OD1-N 3.07Å; E51-Y54 PolarHBondContact O-N 3.31Å; E51-V55 WeakPolarHBondContact O-CG2 3.44Å; E51-V55 PolarHBondContact O-N 3.2Å; E51-V55 VanDerWaalsContact O-N 3.07Å; E51-L97 HydrophobicContact CB-CD2 4.4Å; E51-L97 HydrophobicContact CG-CD2 3.6Å; E51-Y101 WeakPolarHBondContact OE1-CE1 3.48Å; E51-Y101 VanDerWaalsContact OE1-CZ 3.31Å; E51-Y101 PolarHBondContact OE1-OH 3.14Å
52R93Very high92.4Very high133 Ų13345.9 Ų45.950%0.50221%0.21SC..Hα-helixtrans-68.5-41.6177.5-174.5177.2176.9158.7-3.2112.2L8 V45 D49 Y54 V55 L56L8-R52 HydrophobicContact CD1-CB 4.16Å; V45-R52 HydrophobicContact CG2-CB 4.38Å; V45-R52 HydrophobicContact CG2-CG 4.21Å; D49-R52 HydrophobicContact CB-CB 4.16Å; D49-R52 WeakPolarHBondContact OD1-CB 3.19Å; D49-R52 PolarHBondContact OD1-N 3.2Å; D49-R52 WeakPolarHBondContact OD2-CB 3.25Å; D49-R52 WeakPolarHBondContact OD2-CD 3.48Å; R52-Y54 VanDerWaalsContact C-N 3.28Å; R52-Y54 PolarHBondContact O-N 3.37Å; R52-V55 PolarHBondContact O-N 2.98Å; R52-L56 HydrophobicContact CG-CD1 4.07Å; R52-L56 WeakPolarHBondContact O-CB 3.44Å; R52-L56 VanDerWaalsContact O-CG 3.28Å; R52-L56 WeakPolarHBondContact O-CG 3.08Å; R52-L56 PolarHBondContact O-N 3.27Å
53A95.1Very high92.2Very high0 Ų047.2 Ų47.20%022%0.216CC..Hα-helixtrans-56.2-44.717400000111.1V45 D49 L56 F57 L93V45-A53 HydrophobicContact CG2-CB 3.9Å; D49-A53 VanDerWaalsContact O-CB 3.26Å; D49-A53 WeakPolarHBondContact O-CB 3.3Å; D49-A53 PolarHBondContact O-N 2.86Å; A53-L56 PolarHBondContact O-N 3.32Å; A53-F57 VanDerWaalsContact O-CD2 3.3Å; A53-F57 WeakPolarHBondContact O-CD2 3.34Å; A53-F57 PolarHBondContact O-N 3.31Å; A53-L93 HydrophobicContact CB-CD1 3.56Å; A53-L93 HydrophobicContact CB-CD2 4.43Å
54Y95.7Very high92.2Very high9 Ų945.9 Ų45.94%0.03521%0.207CC..Hα-helixtrans-64.9-45.7179.6-176.8-102.1000111.9V12 L15 E50 E51 R52 L56 F57 M58 A90 L93 R94 L97V12-Y54 HydrophobicContact CG1-CE1 3.71Å; L15-Y54 HydrophobicContact CB-CD1 3.84Å; L15-Y54 HydrophobicContact CB-CE1 4.12Å; L15-Y54 HydrophobicContact CD1-CD1 3.87Å; E50-Y54 WeakPolarHBondContact O-CB 3.42Å; E50-Y54 PolarHBondContact O-N 3.04Å; E51-Y54 PolarHBondContact O-N 3.31Å; R52-Y54 VanDerWaalsContact C-N 3.28Å; R52-Y54 PolarHBondContact O-N 3.37Å; Y54-L56 VanDerWaalsContact C-N 3.28Å; Y54-L56 PolarHBondContact O-N 3.18Å; Y54-F57 PolarHBondContact O-N 3.43Å; Y54-M58 HydrophobicContact CD1-CG 4.18Å; Y54-M58 HydrophobicContact CD2-CE 4.35Å; Y54-M58 HydrophobicContact CE1-CG 3.8Å; Y54-M58 HydrophobicContact CE1-SD 4.43Å; Y54-M58 HydrophobicContact CE2-CE 3.73Å; Y54-M58 HydrophobicContact CE2-CG 4.36Å; Y54-M58 HydrophobicContact CE2-SD 4.36Å; Y54-M58 WeakPolarHBondContact O-CG 3.42Å; Y54-M58 PolarHBondContact O-N 3.13Å; Y54-A90 WeakPolarHBondContact CE2-O 3.25Å; Y54-L93 HydrophobicContact CD2-CB 3.94Å; Y54-R94 HydrophobicContact CE2-CB 3.84Å; Y54-L97 HydrophobicContact CD1-CD1 4.33Å; Y54-L97 HydrophobicContact CD2-CD1 4.38Å; Y54-L97 HydrophobicContact CG-CD1 3.83Å
55V94Very high92.2Very high13 Ų1342 Ų428%0.07919%0.19CC..Hα-helixtrans-60.6-36.9175.6171.40000111.7L15 L18 E51 R52 K59L15-V55 HydrophobicContact CB-CG2 3.99Å; L15-V55 HydrophobicContact CD2-CG2 3.95Å; L15-V55 HydrophobicContact CG-CG2 4.5Å; L18-V55 HydrophobicContact CB-CG2 4.41Å; E51-V55 WeakPolarHBondContact O-CG2 3.44Å; E51-V55 PolarHBondContact O-N 3.2Å; E51-V55 VanDerWaalsContact O-N 3.07Å; R52-V55 PolarHBondContact O-N 2.98Å; V55-K59 HydrophobicContact CG1-CD 4.27Å; V55-K59 VanDerWaalsContact O-CG 3.32Å; V55-K59 WeakPolarHBondContact O-CG 3.43Å; V55-K59 PolarHBondContact O-N 3.42Å
56L94.2Very high92.1Very high18 Ų1844 Ų449%0.09420%0.197CC..Hα-helixtrans-69.4-43176.1-70.2164.9000112.3L38 Q41 A42 V45 R52 A53 Y54 K59 Y60L38-L56 HydrophobicContact CD2-CD2 3.77Å; Q41-L56 HydrophobicContact CB-CD1 3.98Å; Q41-L56 HydrophobicContact CB-CD2 4.48Å; A42-L56 HydrophobicContact CB-CB 3.67Å; V45-L56 HydrophobicContact CG2-CD1 3.85Å; R52-L56 HydrophobicContact CG-CD1 4.07Å; R52-L56 WeakPolarHBondContact O-CB 3.44Å; R52-L56 VanDerWaalsContact O-CG 3.28Å; R52-L56 WeakPolarHBondContact O-CG 3.08Å; R52-L56 PolarHBondContact O-N 3.27Å; A53-L56 PolarHBondContact O-N 3.32Å; Y54-L56 VanDerWaalsContact C-N 3.28Å; Y54-L56 PolarHBondContact O-N 3.18Å; L56-K59 PolarHBondContact O-N 2.91Å; L56-Y60 PolarHBondContact O-N 3.32Å
57F96.4Very high92.2Very high0 Ų041.6 Ų41.60%019%0.188CC..Hα-helixtrans-61.5-43.1172.9-85.2-65.6000112.4A42 N43 W46 A53 Y54 K59 Y60 F61 R89 A90 L93A42-F57 HydrophobicContact CB-CD1 4.25Å; A42-F57 HydrophobicContact CB-CD2 3.71Å; A42-F57 HydrophobicContact CB-CE1 4.15Å; A42-F57 HydrophobicContact CB-CE2 3.59Å; A42-F57 HydrophobicContact CB-CG 4.03Å; A42-F57 HydrophobicContact CB-CZ 3.83Å; N43-F57 WeakPolarHBondContact OD1-CZ 3.43Å; W46-F57 AromaticContact CE3-CE2 3.85Å; W46-F57 HydrophobicContact CE3-CE2 3.85Å; W46-F57 HydrophobicContact CZ3-CE2 4.06Å; A53-F57 VanDerWaalsContact O-CD2 3.3Å; A53-F57 WeakPolarHBondContact O-CD2 3.34Å; A53-F57 PolarHBondContact O-N 3.31Å; Y54-F57 PolarHBondContact O-N 3.43Å; F57-K59 VanDerWaalsContact C-N 3.3Å; F57-K59 PolarHBondContact O-N 3.47Å; F57-Y60 WeakPolarHBondContact O-CB 3.38Å; F57-Y60 PolarHBondContact O-N 2.86Å; F57-F61 HydrophobicContact CB-CE2 4.23Å; F57-F61 WeakPolarHBondContact O-CD2 3.25Å; F57-F61 WeakPolarHBondContact O-CG 3.16Å; F57-F61 PolarHBondContact O-N 2.86Å; F57-R89 HydrophobicContact CE1-CB 4.41Å; F57-R89 HydrophobicContact CE2-CB 4.08Å; F57-R89 HydrophobicContact CZ-CB 3.86Å; F57-A90 HydrophobicContact CB-CB 3.98Å; F57-A90 HydrophobicContact CG-CB 4.25Å; F57-L93 HydrophobicContact CD2-CD1 4.03Å; F57-L93 HydrophobicContact CE2-CD1 4.39Å
58M95.3Very high92.4Very high28 Ų2839.7 Ų39.714%0.13818%0.178CC..Hα-helixtrans-62.2-36.6175.6-68.1-58.9106.700112.2S19 Y54 F61 E62 A90S19-M58 WeakPolarHBondContact OG-CB 3.29Å; Y54-M58 HydrophobicContact CD1-CG 4.18Å; Y54-M58 HydrophobicContact CD2-CE 4.35Å; Y54-M58 HydrophobicContact CE1-CG 3.8Å; Y54-M58 HydrophobicContact CE1-SD 4.43Å; Y54-M58 HydrophobicContact CE2-CE 3.73Å; Y54-M58 HydrophobicContact CE2-CG 4.36Å; Y54-M58 HydrophobicContact CE2-SD 4.36Å; Y54-M58 WeakPolarHBondContact O-CG 3.42Å; Y54-M58 PolarHBondContact O-N 3.13Å; M58-F61 HydrophobicContact CE-CD2 3.69Å; M58-F61 HydrophobicContact CE-CE2 3.61Å; M58-F61 PolarHBondContact O-N 3.48Å; M58-F61 HydrophobicContact SD-CD2 4.41Å; M58-E62 PolarHBondContact O-N 3.48Å; M58-A90 HydrophobicContact CE-CB 3.84Å
59K94.3Very high92.5Very high54 Ų5442.4 Ų42.424%0.23518%0.182CC..Hα-helixtrans-67-40.5172.6-75.1172.5-176.6179.70112.4L18 S19 I21 L38 V55 L56 F57 F61 E62 Y63L18-K59 WeakPolarHBondContact O-CE 3.5Å; S19-K59 VanDerWaalsContact O-CG 3.3Å; S19-K59 WeakPolarHBondContact O-CG 3.41Å; I21-K59 HydrophobicContact CD1-CB 3.94Å; I21-K59 HydrophobicContact CD1-CG 4Å; I21-K59 HydrophobicContact CG1-CG 4.28Å; I21-K59 HydrophobicContact CG2-CD 4.08Å; I21-K59 HydrophobicContact CG2-CG 4.09Å; L38-K59 HydrophobicContact CD1-CB 4.06Å; L38-K59 HydrophobicContact CD2-CB 4.16Å; V55-K59 HydrophobicContact CG1-CD 4.27Å; V55-K59 VanDerWaalsContact O-CG 3.32Å; V55-K59 WeakPolarHBondContact O-CG 3.43Å; V55-K59 PolarHBondContact O-N 3.42Å; L56-K59 PolarHBondContact O-N 2.91Å; F57-K59 VanDerWaalsContact C-N 3.3Å; F57-K59 PolarHBondContact O-N 3.47Å; K59-F61 VanDerWaalsContact C-N 3.29Å; K59-F61 PolarHBondContact O-N 3.29Å; K59-E62 PolarHBondContact O-N 3.08Å; K59-Y63 PolarHBondContact O-N 3.43Å; K59-Y63 VanDerWaalsContact O-N 3.17Å
60Y94.3Very high92.2Very high3 Ų345 Ų451%0.01220%0.196CC..Hα-helixtrans-58.2-40173.6164.9-98000111.8M35 K39 L56 F57 Y63 Y64 L83M35-Y60 HydrophobicContact CB-CD2 3.88Å; M35-Y60 HydrophobicContact CB-CE2 3.9Å; M35-Y60 HydrophobicContact CE-CE2 3.96Å; M35-Y60 HydrophobicContact CG-CD2 4.2Å; M35-Y60 HydrophobicContact CG-CE2 4.36Å; M35-Y60 WeakPolarHBondContact O-CD2 3.49Å; K39-Y60 HydrophobicContact CB-CD2 3.93Å; K39-Y60 HydrophobicContact CB-CE2 3.98Å; K39-Y60 HydrophobicContact CD-CE2 4.23Å; L56-Y60 PolarHBondContact O-N 3.32Å; F57-Y60 WeakPolarHBondContact O-CB 3.38Å; F57-Y60 PolarHBondContact O-N 2.86Å; Y60-Y63 PolarHBondContact O-N 3.4Å; Y60-Y64 PolarHBondContact O-N 2.74Å; Y60-L83 HydrophobicContact CE1-CD1 4.08Å
61F93.8Very high91.7Very high44 Ų4445.5 Ų45.519%0.19320%0.2CC..Hα-helixtrans-70.5-37.8176.8-59.6-47.8000114.1F57 M58 K59 Y63 Y64 D65 L83 I87 A90F57-F61 HydrophobicContact CB-CE2 4.23Å; F57-F61 WeakPolarHBondContact O-CD2 3.25Å; F57-F61 WeakPolarHBondContact O-CG 3.16Å; F57-F61 PolarHBondContact O-N 2.86Å; M58-F61 HydrophobicContact CE-CD2 3.69Å; M58-F61 HydrophobicContact CE-CE2 3.61Å; M58-F61 PolarHBondContact O-N 3.48Å; M58-F61 HydrophobicContact SD-CD2 4.41Å; K59-F61 VanDerWaalsContact C-N 3.29Å; K59-F61 PolarHBondContact O-N 3.29Å; F61-Y63 VanDerWaalsContact C-N 3.27Å; F61-Y63 PolarHBondContact O-N 3.27Å; F61-Y64 PolarHBondContact O-N 3.46Å; F61-D65 WeakPolarHBondContact O-CB 3.44Å; F61-D65 PolarHBondContact O-N 2.93Å; F61-L83 HydrophobicContact CD1-CD1 4.06Å; F61-L83 HydrophobicContact CE1-CD1 3.98Å; F61-I87 HydrophobicContact CE1-CG1 3.74Å; F61-I87 HydrophobicContact CZ-CB 4.46Å; F61-I87 HydrophobicContact CZ-CG1 3.83Å; F61-A90 HydrophobicContact CE2-CB 3.6Å; F61-A90 HydrophobicContact CZ-CB 3.95Å
62E92.7Very high90.8Very high63 Ų6347 Ų4729%0.29422%0.217SC..Hα-helixtrans-58.2-40.6171.6-75.3-92.3173.100111.1K20 I21 I23 M58 K59 K66K20-E62 WeakPolarHBondContact CE-OE1 3.49Å; K20-E62 IonicContact NZ-OE1 2.73Å; K20-E62 PolarHBondContact NZ-OE1 3.11Å; I21-E62 HydrophobicContact CD1-CB 4.49Å; I21-E62 HydrophobicContact CG1-CB 4.28Å; I23-E62 HydrophobicContact CD1-CB 4.05Å; M58-E62 PolarHBondContact O-N 3.48Å; K59-E62 PolarHBondContact O-N 3.08Å; E62-K66 WeakPolarHBondContact O-CB 3.48Å; E62-K66 PolarHBondContact O-N 2.96Å
63Y91.3Very high89.5Confident29 Ų2947.1 Ų47.111%0.11423%0.227CC..Hα-helixtrans-67.8-44.1173.4-91.8-79.4000113.5I21 I23 L31 E34 M35 L38 K59 Y60 F61 D65 K66 L67I21-Y63 HydrophobicContact CD1-CD2 3.6Å; I21-Y63 HydrophobicContact CD1-CE2 3.52Å; I23-Y63 HydrophobicContact CD1-CD1 3.94Å; I23-Y63 HydrophobicContact CD1-CD2 3.9Å; I23-Y63 HydrophobicContact CD1-CE1 4.3Å; I23-Y63 HydrophobicContact CD1-CE2 4.31Å; I23-Y63 HydrophobicContact CD1-CG 3.72Å; I23-Y63 HydrophobicContact CG1-CD1 4.33Å; I23-Y63 HydrophobicContact CG1-CD2 4.3Å; I23-Y63 HydrophobicContact CG1-CE1 4.18Å; I23-Y63 HydrophobicContact CG1-CE2 4.2Å; I23-Y63 HydrophobicContact CG1-CG 4.38Å; I23-Y63 HydrophobicContact CG2-CD1 4.02Å; I23-Y63 HydrophobicContact CG2-CE1 3.69Å; L31-Y63 HydrophobicContact CB-CD1 4.34Å; L31-Y63 HydrophobicContact CD2-CD1 3.67Å; L31-Y63 HydrophobicContact CD2-CE1 3.68Å; E34-Y63 HydrophobicContact CB-CD1 4.03Å; E34-Y63 HydrophobicContact CB-CE1 3.54Å; E34-Y63 HydrophobicContact CB-CE2 4.08Å; E34-Y63 HydrophobicContact CG-CE1 3.85Å; E34-Y63 WeakPolarHBondContact CG-OH 3.25Å; E34-Y63 PolarHBondContact OE2-OH 3.25Å; M35-Y63 VanDerWaalsContact CG-CB 3.5Å; M35-Y63 HydrophobicContact CG-CG 4.35Å; L38-Y63 HydrophobicContact CD1-CD2 3.41Å; L38-Y63 VanDerWaalsContact CD1-CD2 3.41Å; L38-Y63 HydrophobicContact CD1-CE2 3.63Å; L38-Y63 HydrophobicContact CD1-CG 4.43Å; K59-Y63 PolarHBondContact O-N 3.43Å; K59-Y63 VanDerWaalsContact O-N 3.17Å; Y60-Y63 PolarHBondContact O-N 3.4Å; F61-Y63 VanDerWaalsContact C-N 3.27Å; F61-Y63 PolarHBondContact O-N 3.27Å; Y63-D65 VanDerWaalsContact C-N 3.3Å; Y63-D65 PolarHBondContact O-N 3.15Å; Y63-K66 WeakPolarHBondContact O-CB 3.35Å; Y63-K66 PolarHBondContact O-N 2.86Å; Y63-L67 WeakPolarHBondContact O-CB 3.34Å; Y63-L67 PolarHBondContact O-N 3.38Å
64Y90.9Very high87.8Confident23 Ų2356.2 Ų56.29%0.0927%0.266CS..Hα-helixtrans-59-43175.8176.6-98.5000111.5M35 Y60 F61 L67 K68 L79 L83M35-Y64 HydrophobicContact CE-CD2 3.81Å; M35-Y64 HydrophobicContact CE-CG 4.43Å; Y60-Y64 PolarHBondContact O-N 2.74Å; F61-Y64 PolarHBondContact O-N 3.46Å; Y64-L67 PolarHBondContact O-N 2.91Å; Y64-K68 HydrophobicContact CE1-CD 4.06Å; Y64-K68 VanDerWaalsContact O-CB 3.31Å; Y64-K68 WeakPolarHBondContact O-CB 3.45Å; Y64-K68 PolarHBondContact O-N 3.07Å; Y64-L79 HydrophobicContact CE2-CB 4.45Å; Y64-L83 HydrophobicContact CD1-CD1 3.87Å; Y64-L83 HydrophobicContact CD1-CD2 4.3Å; Y64-L83 HydrophobicContact CD2-CD1 4.03Å; Y64-L83 HydrophobicContact CE1-CD1 4.05Å; Y64-L83 HydrophobicContact CE1-CD2 3.63Å; Y64-L83 HydrophobicContact CE1-CG 4.5Å; Y64-L83 HydrophobicContact CE2-CD1 4.23Å; Y64-L83 HydrophobicContact CE2-CD2 4.15Å; Y64-L83 HydrophobicContact CG-CD1 3.86Å
65D90Very high85.9Confident56 Ų5656.8 Ų56.830%0.29927%0.272SS..Hα-helixtrans-73.5-31.1-178.6-155.366000112.2F61 Y63 R69F61-D65 WeakPolarHBondContact O-CB 3.44Å; F61-D65 PolarHBondContact O-N 2.93Å; Y63-D65 VanDerWaalsContact C-N 3.3Å; Y63-D65 PolarHBondContact O-N 3.15Å; D65-R69 WeakPolarHBondContact O-CD 3.31Å; D65-R69 WeakPolarHBondContact O-CG 3.17Å; D65-R69 PolarHBondContact O-N 2.81Å; D65-R69 PolarHBondContact O-NE 3.47Å; D65-R69 IonicContact OD2-CZ 2.66Å; D65-R69 IonicContact OD2-NE 3.43Å; D65-R69 PolarHBondContact OD2-NE 3.05Å; D65-R69 IonicContact OD2-NH2 2.67Å; D65-R69 PolarHBondContact OD2-NH2 3.35Å
66K90.1Very high84Confident68 Ų6858 Ų5830%0.29628%0.281SS..Hα-helixtrans-61-48.2166.2-174.396.5179.1-162.70111.5I23 S25 L31 E62 Y63 R69 L70I23-K66 HydrophobicContact CB-CD 4.19Å; I23-K66 HydrophobicContact CD1-CB 4.28Å; I23-K66 HydrophobicContact CG2-CD 4.01Å; I23-K66 HydrophobicContact CG2-CG 4Å; I23-K66 PolarHBondContact O-NZ 3.27Å; S25-K66 WeakPolarHBondContact O-CE 3.35Å; L31-K66 HydrophobicContact CD1-CG 4Å; L31-K66 HydrophobicContact CD2-CG 4.36Å; E62-K66 WeakPolarHBondContact O-CB 3.48Å; E62-K66 PolarHBondContact O-N 2.96Å; Y63-K66 WeakPolarHBondContact O-CB 3.35Å; Y63-K66 PolarHBondContact O-N 2.86Å; K66-R69 PolarHBondContact O-N 3.36Å; K66-L70 HydrophobicContact CG-CD1 4.34Å; K66-L70 PolarHBondContact O-N 3.31Å
67L89Confident82Confident0 Ų061 Ų610%031%0.308CS..Hα-helixtrans-61.5-49.2179.3179.166.7000111.1P28 L31 Q32 M35 Y63 Y64 R69 L70 T71 L79P28-L67 HydrophobicContact CB-CD1 3.8Å; L31-L67 HydrophobicContact CB-CB 4.49Å; L31-L67 HydrophobicContact CB-CD1 4.29Å; L31-L67 HydrophobicContact CD1-CB 4.34Å; L31-L67 HydrophobicContact CD1-CD1 4.32Å; Q32-L67 HydrophobicContact CG-CD1 4.43Å; Q32-L67 HydrophobicContact CG-CD2 3.68Å; M35-L67 HydrophobicContact CE-CD2 4.23Å; M35-L67 HydrophobicContact SD-CB 4.31Å; M35-L67 HydrophobicContact SD-CD2 3.77Å; Y63-L67 WeakPolarHBondContact O-CB 3.34Å; Y63-L67 PolarHBondContact O-N 3.38Å; Y64-L67 PolarHBondContact O-N 2.91Å; L67-R69 VanDerWaalsContact C-N 3.27Å; L67-R69 PolarHBondContact O-N 3.1Å; L67-L70 PolarHBondContact O-N 2.8Å; L67-T71 HydrophobicContact CD1-CG2 3.78Å; L67-T71 HydrophobicContact CG-CG2 4.37Å; L67-T71 PolarHBondContact O-N 3.23Å; L67-T71 PolarHBondContact O-OG1 2.94Å; L67-T71 VanDerWaalsContact O-OG1 3.14Å; L67-L79 HydrophobicContact CD2-CD1 4.13Å
68K87.6Confident79.9Confident96 Ų9668.4 Ų68.442%0.41735%0.347SS..Hα-helixtrans-55.2-38.3178.2-177-178.3175.9-171.50112.9Y64 L70 G72Y64-K68 HydrophobicContact CE1-CD 4.06Å; Y64-K68 VanDerWaalsContact O-CB 3.31Å; Y64-K68 WeakPolarHBondContact O-CB 3.45Å; Y64-K68 PolarHBondContact O-N 3.07Å; K68-L70 VanDerWaalsContact C-N 3.34Å; K68-G72 VanDerWaalsContact O-CA 3.31Å; K68-G72 WeakPolarHBondContact O-CA 3.46Å; K68-G72 PolarHBondContact O-N 2.94Å
69R87.8Confident78.4Confident198 Ų19867.8 Ų67.875%0.74734%0.344SS*.Hα-helixtrans-69.1-28.1175.4-68.4165.2-163.4-142.411.2113.4D65 K66 L67D65-R69 WeakPolarHBondContact O-CD 3.31Å; D65-R69 WeakPolarHBondContact O-CG 3.17Å; D65-R69 PolarHBondContact O-N 2.81Å; D65-R69 PolarHBondContact O-NE 3.47Å; D65-R69 IonicContact OD2-CZ 2.66Å; D65-R69 IonicContact OD2-NE 3.43Å; D65-R69 PolarHBondContact OD2-NE 3.05Å; D65-R69 IonicContact OD2-NH2 2.67Å; D65-R69 PolarHBondContact OD2-NH2 3.35Å; K66-R69 PolarHBondContact O-N 3.36Å; L67-R69 VanDerWaalsContact C-N 3.27Å; L67-R69 PolarHBondContact O-N 3.1Å
70L85.9Confident77.2Confident83 Ų8372 Ų7244%0.43536%0.362SS..Hα-helixtrans-87.6-37.5-179.5-71163000113L31 K66 L67 K68L31-L70 HydrophobicContact CD1-CD1 3.49Å; L31-L70 VanDerWaalsContact CD1-CD1 3.49Å; K66-L70 HydrophobicContact CG-CD1 4.34Å; K66-L70 PolarHBondContact O-N 3.31Å; L67-L70 PolarHBondContact O-N 2.8Å; K68-L70 VanDerWaalsContact C-N 3.34Å
71T81.9Confident75.8Confident37 Ų3778.3 Ų78.323%0.22740%0.396CS..Hα-helixtrans-97.9-13.6-175.461.80000114.1P28 L67 C75P28-T71 HydrophobicContact CB-CG2 4.25Å; P28-T71 HydrophobicContact CG-CG2 4.24Å; L67-T71 HydrophobicContact CD1-CG2 3.78Å; L67-T71 HydrophobicContact CG-CG2 4.37Å; L67-T71 PolarHBondContact O-N 3.23Å; L67-T71 PolarHBondContact O-OG1 2.94Å; L67-T71 VanDerWaalsContact O-OG1 3.14Å; T71-C75 WeakPolarHBondContact OG1-CB 3.44Å; T71-C75 PolarHBondContact OG1-SG 3.41Å
72G74.4Confident74.9Confident33 Ų3380.4 Ų80.434%0.3441%0.407SS..G310 helixtrans57.1-156.4-164.600000112.2K68 K74K68-G72 VanDerWaalsContact O-CA 3.31Å; K68-G72 WeakPolarHBondContact O-CA 3.46Å; K68-G72 PolarHBondContact O-N 2.94Å; G72-K74 PolarHBondContact O-N 2.83Å
73N65.3Low74.5Confident135 Ų13578.5 Ų78.572%0.72240%0.399SS*.G310 helixtrans-64.5-6.1-174.9-64.60000114.8C75 S76N73-C75 VanDerWaalsContact C-N 3.3Å; N73-C75 PolarHBondContact O-N 2.76Å; N73-S76 PolarHBondContact O-N 2.92Å; N73-S76 PolarHBondContact O-OG 3.28Å
74K59.2Low74.1Confident190 Ų19082.9 Ų82.983%0.82642%0.423SS*.G310 helixtrans-65.8-28.7179.8-70.7-171.6176-176.80113.4G72G72-K74 PolarHBondContact O-N 2.83Å
75C55.4Low73.8Confident22 Ų2284 Ų8415%0.14943%0.434CS..SBendtrans-81.8-20.9175-84.30000114.5T71 N73 A77 L78 L79T71-C75 WeakPolarHBondContact OG1-CB 3.44Å; T71-C75 PolarHBondContact OG1-SG 3.41Å; N73-C75 VanDerWaalsContact C-N 3.3Å; N73-C75 PolarHBondContact O-N 2.76Å; C75-A77 PolarHBondContact O-N 2.74Å; C75-L78 PolarHBondContact O-N 3.29Å; C75-L79 PolarHBondContact O-N 3.45Å
76S54Low73.9Confident38 Ų3881.3 Ų81.327%0.26642%0.42SS..THydrogen-bonded Turntrans-75.3-3.5-172.551.50000115.1N73 K80N73-S76 PolarHBondContact O-N 2.92Å; N73-S76 PolarHBondContact O-OG 3.28Å; S76-K80 WeakPolarHBondContact O-CB 3.34Å; S76-K80 WeakPolarHBondContact O-CG 3.44Å
77A52.1Low74Confident81 Ų8181.1 Ų81.167%0.66942%0.421SS*.THydrogen-bonded Turntrans-83.8-51.3169.600000111.7C75 L79C75-A77 PolarHBondContact O-N 2.74Å; A77-L79 PolarHBondContact O-N 2.66Å
78L53Low74Confident156 Ų15687.1 Ų87.182%0.81745%0.45SS*.THydrogen-bonded Turntrans-70.6-28.2-173.6-95.7159.7000114.5C75C75-L78 PolarHBondContact O-N 3.29Å
79L63.9Low74.3Confident15 Ų1587.3 Ų87.38%0.07945%0.448CS..THydrogen-bonded Turntrans-105.56-176.4-79.7158.9000113.9M35 Y64 L67 C75 A77 N81 E82 L83M35-L79 HydrophobicContact CE-CD1 4.12Å; Y64-L79 HydrophobicContact CE2-CB 4.45Å; L67-L79 HydrophobicContact CD2-CD1 4.13Å; C75-L79 PolarHBondContact O-N 3.45Å; A77-L79 PolarHBondContact O-N 2.66Å; L79-N81 PolarHBondContact O-N 2.78Å; L79-E82 HydrophobicContact CD2-CB 4.32Å; L79-E82 PolarHBondContact O-N 3.25Å; L79-L83 WeakPolarHBondContact O-CB 3.43Å; L79-L83 PolarHBondContact O-N 3.18Å
80K68Low74.6Confident141 Ų14178.1 Ų78.161%0.61341%0.414SS*.Hα-helixtrans-62.9-50-165.5-143.9178.4-176.6-170.30113.3S76 L83 L84S76-K80 WeakPolarHBondContact O-CB 3.34Å; S76-K80 WeakPolarHBondContact O-CG 3.44Å; K80-L83 PolarHBondContact O-N 3Å; K80-L84 PolarHBondContact O-N 2.75Å; K80-L84 VanDerWaalsContact O-N 3.17Å
81N64.6Low74.9Confident137 Ų13778.2 Ų78.273%0.73341%0.412SS*.Hα-helixtrans-72.5-35.8-179.6-60.65.9000111.5L79 L83 L84 S85L79-N81 PolarHBondContact O-N 2.78Å; N81-L83 VanDerWaalsContact C-N 3.31Å; N81-L83 PolarHBondContact O-N 3Å; N81-L84 PolarHBondContact O-N 3.12Å; N81-S85 PolarHBondContact O-N 2.96Å; N81-S85 PolarHBondContact O-OG 3.01Å
82E75.7Confident75.5Confident87 Ų8781.4 Ų81.441%0.40743%0.427SS..Hα-helixtrans-63.8-34.8175.9-79.6-133.192.700113.4K39 L79 S86K39-E82 PolarHBondContact NZ-O 3Å; K39-E82 IonicContact NZ-OE1 3.76Å; K39-E82 PolarHBondContact NZ-OE1 3.44Å; L79-E82 HydrophobicContact CD2-CB 4.32Å; L79-E82 PolarHBondContact O-N 3.25Å; E82-S86 PolarHBondContact O-OG 3.45Å
83L85.1Confident76.4Confident24 Ų2480 Ų8013%0.12641%0.412CS..Hα-helixtrans-72-43.7174.5-177.774.5000110.7Y60 F61 Y64 L79 K80 N81 S85 S86 I87Y60-L83 HydrophobicContact CE1-CD1 4.08Å; F61-L83 HydrophobicContact CD1-CD1 4.06Å; F61-L83 HydrophobicContact CE1-CD1 3.98Å; Y64-L83 HydrophobicContact CD1-CD1 3.87Å; Y64-L83 HydrophobicContact CD1-CD2 4.3Å; Y64-L83 HydrophobicContact CD2-CD1 4.03Å; Y64-L83 HydrophobicContact CE1-CD1 4.05Å; Y64-L83 HydrophobicContact CE1-CD2 3.63Å; Y64-L83 HydrophobicContact CE1-CG 4.5Å; Y64-L83 HydrophobicContact CE2-CD1 4.23Å; Y64-L83 HydrophobicContact CE2-CD2 4.15Å; Y64-L83 HydrophobicContact CG-CD1 3.86Å; L79-L83 WeakPolarHBondContact O-CB 3.43Å; L79-L83 PolarHBondContact O-N 3.18Å; K80-L83 PolarHBondContact O-N 3Å; N81-L83 VanDerWaalsContact C-N 3.31Å; N81-L83 PolarHBondContact O-N 3Å; L83-S85 PolarHBondContact O-N 3.23Å; L83-S86 CarbonylContact O-C 3.39Å; L83-S86 WeakPolarHBondContact O-CA 3.38Å; L83-S86 WeakPolarHBondContact O-CB 3.38Å; L83-S86 PolarHBondContact O-N 2.99Å; L83-I87 HydrophobicContact CD1-CD1 4.46Å; L83-I87 HydrophobicContact CD2-CD1 4.22Å; L83-I87 HydrophobicContact CG-CD1 3.87Å; L83-I87 HydrophobicContact CG-CG1 4.39Å; L83-I87 WeakPolarHBondContact O-CG1 3.45Å; L83-I87 PolarHBondContact O-N 2.92Å
84L81.7Confident77.8Confident120 Ų12077.5 Ų77.563%0.62839%0.392SS*.Hα-helixtrans-60.1-50.1-174.6-156.175.4000111.9K80 N81 S86 I87 E88K80-L84 PolarHBondContact O-N 2.75Å; K80-L84 VanDerWaalsContact O-N 3.17Å; N81-L84 PolarHBondContact O-N 3.12Å; L84-S86 PolarHBondContact O-N 3.14Å; L84-I87 PolarHBondContact O-N 3.21Å; L84-I87 VanDerWaalsContact O-N 3.12Å; L84-E88 PolarHBondContact O-N 3.04Å
85S85.9Confident79.4Confident46 Ų4672.1 Ų72.132%0.32237%0.372SS..Hα-helixtrans-67.5-20.8176.361.70000113.6N81 L83 R89N81-S85 PolarHBondContact O-N 2.96Å; N81-S85 PolarHBondContact O-OG 3.01Å; L83-S85 PolarHBondContact O-N 3.23Å; S85-R89 WeakPolarHBondContact O-CB 3.45Å; S85-R89 WeakPolarHBondContact O-CD 3.44Å; S85-R89 WeakPolarHBondContact O-CG 3.38Å; S85-R89 PolarHBondContact O-N 3.37Å
86S92.1Very high81.2Confident0 Ų073 Ų730%038%0.379CS..Hα-helixtrans-77.8-35.1172.6-55.90000111.9K39 E82 L83 L84 A90K39-S86 WeakPolarHBondContact CE-OG 3.34Å; E82-S86 PolarHBondContact O-OG 3.45Å; L83-S86 CarbonylContact O-C 3.39Å; L83-S86 WeakPolarHBondContact O-CA 3.38Å; L83-S86 WeakPolarHBondContact O-CB 3.38Å; L83-S86 PolarHBondContact O-N 2.99Å; L84-S86 PolarHBondContact O-N 3.14Å; S86-A90 WeakPolarHBondContact O-CB 3.15Å; S86-A90 PolarHBondContact O-N 2.9Å
87I91.2Very high83.1Confident64 Ų6471.2 Ų71.233%0.32837%0.366SS..Hα-helixtrans-67.1-53.2173.9-68.7167.5000109.9F61 L83 L84 R89 A90 E91F61-I87 HydrophobicContact CE1-CG1 3.74Å; F61-I87 HydrophobicContact CZ-CB 4.46Å; F61-I87 HydrophobicContact CZ-CG1 3.83Å; L83-I87 HydrophobicContact CD1-CD1 4.46Å; L83-I87 HydrophobicContact CD2-CD1 4.22Å; L83-I87 HydrophobicContact CG-CD1 3.87Å; L83-I87 HydrophobicContact CG-CG1 4.39Å; L83-I87 WeakPolarHBondContact O-CG1 3.45Å; L83-I87 PolarHBondContact O-N 2.92Å; L84-I87 PolarHBondContact O-N 3.21Å; L84-I87 VanDerWaalsContact O-N 3.12Å; I87-R89 PolarHBondContact O-N 2.73Å; I87-A90 CarbonylContact O-C 3.51Å; I87-A90 WeakPolarHBondContact O-CA 3.43Å; I87-A90 WeakPolarHBondContact O-CB 3.38Å; I87-A90 PolarHBondContact O-N 3.35Å; I87-E91 HydrophobicContact CG2-CG 4.42Å; I87-E91 WeakPolarHBondContact O-CG 3.34Å; I87-E91 PolarHBondContact O-N 3.14Å
88E89.7Confident85.1Confident127 Ų12772.5 Ų72.559%0.59336%0.357SS*.Hα-helixtrans-54.3-42.5179.8-172.1172.9-130.300111.7L84 E91 I92L84-E88 PolarHBondContact O-N 3.04Å; E88-E91 PolarHBondContact O-N 3.21Å; E88-I92 WeakPolarHBondContact O-CG1 3.39Å; E88-I92 PolarHBondContact O-N 3.4Å; E88-I92 VanDerWaalsContact O-N 3.15Å
89R93.8Very high86.8Confident99 Ų9966.1 Ų66.137%0.37433%0.327SS..Hα-helixtrans-61.3-51.5169.5-79.5177.6-173.7-163.2-3.6112.6N43 W46 F57 S85 I87 E91 I92 L93N43-R89 VanDerWaalsContact CG-NH1 3.31Å; N43-R89 PolarHBondContact OD1-NH1 3.4Å; W46-R89 HydrophobicContact CE3-CB 4.18Å; W46-R89 HydrophobicContact CE3-CG 4.39Å; W46-R89 VanDerWaalsContact CH2-CA 3.47Å; W46-R89 HydrophobicContact CH2-CB 3.63Å; W46-R89 HydrophobicContact CH2-CG 3.77Å; W46-R89 WeakPolarHBondContact CH2-O 3.43Å; W46-R89 HydrophobicContact CZ2-CG 4.18Å; W46-R89 HydrophobicContact CZ3-CB 3.39Å; W46-R89 HydrophobicContact CZ3-CG 3.85Å; W46-R89 WeakPolarHBondContact CZ3-O 3.35Å; F57-R89 HydrophobicContact CE1-CB 4.41Å; F57-R89 HydrophobicContact CE2-CB 4.08Å; F57-R89 HydrophobicContact CZ-CB 3.86Å; S85-R89 WeakPolarHBondContact O-CB 3.45Å; S85-R89 WeakPolarHBondContact O-CD 3.44Å; S85-R89 WeakPolarHBondContact O-CG 3.38Å; S85-R89 PolarHBondContact O-N 3.37Å; I87-R89 PolarHBondContact O-N 2.73Å; R89-E91 PolarHBondContact O-N 2.92Å; R89-I92 PolarHBondContact O-N 3.27Å; R89-L93 PolarHBondContact O-N 3.4Å; R89-L93 VanDerWaalsContact O-N 3.07Å
90A94.3Very high88.1Confident5 Ų566.6 Ų66.64%0.04133%0.327CS..Hα-helixtrans-59.6-29.7179.800000113.8Y54 F57 M58 F61 S86 I87 R94Y54-A90 WeakPolarHBondContact CE2-O 3.25Å; F57-A90 HydrophobicContact CB-CB 3.98Å; F57-A90 HydrophobicContact CG-CB 4.25Å; M58-A90 HydrophobicContact CE-CB 3.84Å; F61-A90 HydrophobicContact CE2-CB 3.6Å; F61-A90 HydrophobicContact CZ-CB 3.95Å; S86-A90 WeakPolarHBondContact O-CB 3.15Å; S86-A90 PolarHBondContact O-N 2.9Å; I87-A90 CarbonylContact O-C 3.51Å; I87-A90 WeakPolarHBondContact O-CA 3.43Å; I87-A90 WeakPolarHBondContact O-CB 3.38Å; I87-A90 PolarHBondContact O-N 3.35Å; A90-R94 WeakPolarHBondContact O-CB 3.35Å; A90-R94 PolarHBondContact O-N 2.86Å
91E92.6Very high89.2Confident86 Ų8660.4 Ų60.440%0.40230%0.3SS..Hα-helixtrans-74.3-45174.8-65.5-157.795.800112.9I87 E88 R89 L93 R94 D95I87-E91 HydrophobicContact CG2-CG 4.42Å; I87-E91 WeakPolarHBondContact O-CG 3.34Å; I87-E91 PolarHBondContact O-N 3.14Å; E88-E91 PolarHBondContact O-N 3.21Å; R89-E91 PolarHBondContact O-N 2.92Å; E91-L93 PolarHBondContact O-N 3.26Å; E91-R94 WeakPolarHBondContact O-CB 3.23Å; E91-R94 PolarHBondContact O-N 3.18Å; E91-R94 VanDerWaalsContact O-N 3.12Å; E91-R94 IonicContact OE1-CZ 2.59Å; E91-R94 VanDerWaalsContact OE1-CZ 3.31Å; E91-R94 IonicContact OE1-NH1 2.74Å; E91-R94 PolarHBondContact OE1-NH1 3.49Å; E91-R94 IonicContact OE1-NH2 3.73Å; E91-R94 PolarHBondContact OE1-NH2 2.66Å; E91-R94 VanDerWaalsContact OE1-NH2 3.09Å; E91-D95 PolarHBondContact O-N 2.87Å
92I93.3Very high90.3Very high103 Ų10354.9 Ų54.953%0.52827%0.27SS..Hα-helixtrans-57.7-39.2174.5-69.3163.7000110.9W46 E88 R89 S96W46-I92 HydrophobicContact CH2-CB 4.03Å; W46-I92 HydrophobicContact CH2-CG2 4.02Å; W46-I92 HydrophobicContact CZ2-CB 4.48Å; W46-I92 HydrophobicContact CZ2-CG2 4.06Å; E88-I92 WeakPolarHBondContact O-CG1 3.39Å; E88-I92 PolarHBondContact O-N 3.4Å; E88-I92 VanDerWaalsContact O-N 3.15Å; R89-I92 PolarHBondContact O-N 3.27Å; I92-S96 PolarHBondContact O-N 3.13Å; I92-S96 VanDerWaalsContact O-N 3.1Å
93L93.8Very high90.7Very high5 Ų552.1 Ų52.13%0.02626%0.258CS..Hα-helixtrans-66.7-47.1172.5-81.2173000113.3W46 E50 A53 Y54 F57 R89 E91 D95 S96 L97W46-L93 HydrophobicContact CE3-CD1 3.53Å; W46-L93 HydrophobicContact CE3-CD2 4.34Å; W46-L93 HydrophobicContact CE3-CG 3.81Å; W46-L93 HydrophobicContact CH2-CD1 4.32Å; W46-L93 HydrophobicContact CH2-CG 3.83Å; W46-L93 HydrophobicContact CZ3-CB 4.37Å; W46-L93 HydrophobicContact CZ3-CD1 3.3Å; W46-L93 HydrophobicContact CZ3-CD2 4.19Å; W46-L93 HydrophobicContact CZ3-CG 3.29Å; E50-L93 HydrophobicContact CB-CD2 3.47Å; E50-L93 VanDerWaalsContact CB-CD2 3.47Å; E50-L93 HydrophobicContact CG-CD2 3.55Å; A53-L93 HydrophobicContact CB-CD1 3.56Å; A53-L93 HydrophobicContact CB-CD2 4.43Å; Y54-L93 HydrophobicContact CD2-CB 3.94Å; F57-L93 HydrophobicContact CD2-CD1 4.03Å; F57-L93 HydrophobicContact CE2-CD1 4.39Å; R89-L93 PolarHBondContact O-N 3.4Å; R89-L93 VanDerWaalsContact O-N 3.07Å; E91-L93 PolarHBondContact O-N 3.26Å; L93-D95 PolarHBondContact O-N 3.12Å; L93-S96 PolarHBondContact O-N 3.12Å; L93-L97 HydrophobicContact CB-CD1 4.42Å; L93-L97 VanDerWaalsContact O-CB 3.29Å; L93-L97 WeakPolarHBondContact O-CB 3.07Å; L93-L97 WeakPolarHBondContact O-CD1 3.11Å; L93-L97 VanDerWaalsContact O-CG 3.24Å; L93-L97 WeakPolarHBondContact O-CG 3.42Å; L93-L97 PolarHBondContact O-N 2.94Å
94R95.5Very high90.6Very high82 Ų8254.6 Ų54.631%0.30927%0.271SS..Hα-helixtrans-50.1-45.7177179.5-165.665-144.2-13.1110.3V12 Y54 A90 E91 K98V12-R94 HydrophobicContact CG1-CG 4.29Å; Y54-R94 HydrophobicContact CE2-CB 3.84Å; A90-R94 WeakPolarHBondContact O-CB 3.35Å; A90-R94 PolarHBondContact O-N 2.86Å; E91-R94 WeakPolarHBondContact O-CB 3.23Å; E91-R94 PolarHBondContact O-N 3.18Å; E91-R94 VanDerWaalsContact O-N 3.12Å; E91-R94 IonicContact OE1-CZ 2.59Å; E91-R94 VanDerWaalsContact OE1-CZ 3.31Å; E91-R94 IonicContact OE1-NH1 2.74Å; E91-R94 PolarHBondContact OE1-NH1 3.49Å; E91-R94 IonicContact OE1-NH2 3.73Å; E91-R94 PolarHBondContact OE1-NH2 2.66Å; E91-R94 VanDerWaalsContact OE1-NH2 3.09Å; R94-K98 WeakPolarHBondContact O-CB 3.35Å; R94-K98 PolarHBondContact O-N 3.2Å
95D91.7Very high90.3Very high76 Ų7651.5 Ų51.541%0.40626%0.259SS..Hα-helixtrans-80.7-31.3-171.9-62.1-17.9000112.3E91 L93 A99E91-D95 PolarHBondContact O-N 2.87Å; L93-D95 PolarHBondContact O-N 3.12Å; D95-A99 WeakPolarHBondContact O-CB 3.27Å; D95-A99 PolarHBondContact O-N 3.32Å
96S93.3Very high89.6Confident41 Ų4152.6 Ų52.629%0.28726%0.256SS..Hα-helixtrans-64.1-50.2166.8-176.90000111.8E50 I92 L93 A99 R100E50-S96 PolarHBondContact OE2-OG 2.75Å; I92-S96 PolarHBondContact O-N 3.13Å; I92-S96 VanDerWaalsContact O-N 3.1Å; L93-S96 PolarHBondContact O-N 3.12Å; S96-A99 PolarHBondContact O-N 2.76Å; S96-R100 VanDerWaalsContact O-CG 3.3Å; S96-R100 WeakPolarHBondContact O-CG 3.45Å; S96-R100 PolarHBondContact O-N 2.92Å
97L94.2Very high88.4Confident0 Ų059.4 Ų59.40%029%0.288CS..Hα-helixtrans-66.9-40.8-176.4-71168.1000112L6 V12 L15 E50 E51 Y54 L93 R100 Y101L6-L97 HydrophobicContact CD2-CD2 4.22Å; V12-L97 HydrophobicContact CG2-CB 4.1Å; L15-L97 HydrophobicContact CD1-CD1 3.73Å; E50-L97 HydrophobicContact CB-CD2 3.83Å; E50-L97 HydrophobicContact CB-CG 4.22Å; E51-L97 HydrophobicContact CB-CD2 4.4Å; E51-L97 HydrophobicContact CG-CD2 3.6Å; Y54-L97 HydrophobicContact CD1-CD1 4.33Å; Y54-L97 HydrophobicContact CD2-CD1 4.38Å; Y54-L97 HydrophobicContact CG-CD1 3.83Å; L93-L97 HydrophobicContact CB-CD1 4.42Å; L93-L97 VanDerWaalsContact O-CB 3.29Å; L93-L97 WeakPolarHBondContact O-CB 3.07Å; L93-L97 WeakPolarHBondContact O-CD1 3.11Å; L93-L97 VanDerWaalsContact O-CG 3.24Å; L93-L97 WeakPolarHBondContact O-CG 3.42Å; L93-L97 PolarHBondContact O-N 2.94Å; L97-R100 PolarHBondContact O-N 3.08Å; L97-Y101 HydrophobicContact CB-CE2 4.29Å; L97-Y101 WeakPolarHBondContact O-CD2 3.25Å; L97-Y101 PolarHBondContact O-N 3.12Å
98K93.7Very high86.8Confident109 Ų10961.6 Ų61.647%0.47431%0.305SS..Hα-helixtrans-56.7-51.5173.3-177.2167179175.20110.5V12 R94 R100 Y101 E102V12-K98 HydrophobicContact CG2-CB 3.97Å; R94-K98 WeakPolarHBondContact O-CB 3.35Å; R94-K98 PolarHBondContact O-N 3.2Å; K98-R100 VanDerWaalsContact C-N 3.27Å; K98-R100 PolarHBondContact O-N 3.27Å; K98-Y101 PolarHBondContact O-N 2.99Å; K98-E102 WeakPolarHBondContact CE-OE1 3.49Å; K98-E102 HydrophobicContact CG-CG 4.48Å; K98-E102 WeakPolarHBondContact CG-OE1 3.38Å; K98-E102 WeakPolarHBondContact O-CB 3.31Å; K98-E102 VanDerWaalsContact O-CG 3.3Å; K98-E102 WeakPolarHBondContact O-CG 3.13Å; K98-E102 PolarHBondContact O-N 3.41Å
99A89.9Confident84.4Confident22 Ų2262.4 Ų62.418%0.18231%0.312CS..Hα-helixtrans-58.5-36.5176.600000113.3D95 S96 D103 H753D95-A99 WeakPolarHBondContact O-CB 3.27Å; D95-A99 PolarHBondContact O-N 3.32Å; S96-A99 PolarHBondContact O-N 2.76Å; A99-D103 WeakPolarHBondContact O-CB 3.37Å; A99-D103 PolarHBondContact O-N 2.85Å; A99-H753 WeakPolarHBondContact CA-NE2 3.05Å; A99-H753 VanDerWaalsContact CB-NE2 3.32Å; A99-H753 WeakPolarHBondContact CB-NE2 3.49Å
100R90.2Very high81.7Confident25 Ų2563.2 Ų63.29%0.09433%0.33CS..Hα-helixtrans-74.1-41.8179.8-71.2169.660.1-146.8-11.6113.6K4 Q5 L6 E50 S96 L97 K98 D103 L104K4-R100 VanDerWaalsContact C-NH2 3.29Å; K4-R100 PolarHBondContact O-NH2 2.88Å; Q5-R100 PolarHBondContact O-NH2 2.61Å; L6-R100 HydrophobicContact CD1-CB 4.08Å; L6-R100 HydrophobicContact CD2-CB 4.13Å; L6-R100 HydrophobicContact CG-CB 4.42Å; E50-R100 IonicContact OE2-CZ 3.35Å; E50-R100 IonicContact OE2-NH1 2.72Å; E50-R100 PolarHBondContact OE2-NH1 3.26Å; S96-R100 VanDerWaalsContact O-CG 3.3Å; S96-R100 WeakPolarHBondContact O-CG 3.45Å; S96-R100 PolarHBondContact O-N 2.92Å; L97-R100 PolarHBondContact O-N 3.08Å; K98-R100 VanDerWaalsContact C-N 3.27Å; K98-R100 PolarHBondContact O-N 3.27Å; R100-D103 PolarHBondContact O-N 3.39Å; R100-L104 PolarHBondContact O-N 3.4Å
101Y91.4Very high78.7Confident10 Ų1070.6 Ų70.64%0.03937%0.369CS..Hα-helixtrans-67.5-38.3174-71.1-55.3000112.1L6 A9 H10 S11 V12 L15 E51 L97 K98 L104 S105L6-Y101 HydrophobicContact CB-CE1 4.39Å; L6-Y101 HydrophobicContact CD1-CD1 3.77Å; L6-Y101 HydrophobicContact CD1-CE1 4.05Å; L6-Y101 HydrophobicContact CD2-CD1 4.13Å; L6-Y101 HydrophobicContact CD2-CE1 3.72Å; L6-Y101 HydrophobicContact CG-CD1 4.47Å; L6-Y101 HydrophobicContact CG-CE1 4.28Å; A9-Y101 VanDerWaalsContact O-CE1 3.3Å; A9-Y101 WeakPolarHBondContact O-CE1 3.42Å; H10-Y101 VanDerWaalsContact C-CD1 3.49Å; S11-Y101 VanDerWaalsContact C-CE2 3.42Å; V12-Y101 HydrophobicContact CG2-CD2 3.8Å; V12-Y101 HydrophobicContact CG2-CE2 4.04Å; L15-Y101 HydrophobicContact CD1-CE2 3.91Å; L15-Y101 WeakPolarHBondContact CD1-OH 3.45Å; L15-Y101 WeakPolarHBondContact CD2-OH 3.07Å; L15-Y101 HydrophobicContact CG-CE2 4.28Å; L15-Y101 WeakPolarHBondContact CG-OH 3.29Å; E51-Y101 WeakPolarHBondContact OE1-CE1 3.48Å; E51-Y101 VanDerWaalsContact OE1-CZ 3.31Å; E51-Y101 PolarHBondContact OE1-OH 3.14Å; L97-Y101 HydrophobicContact CB-CE2 4.29Å; L97-Y101 WeakPolarHBondContact O-CD2 3.25Å; L97-Y101 PolarHBondContact O-N 3.12Å; K98-Y101 PolarHBondContact O-N 2.99Å; Y101-L104 PolarHBondContact O-N 2.97Å; Y101-S105 PolarHBondContact O-N 3.26Å; Y101-S105 VanDerWaalsContact O-N 3.07Å; Y101-S105 PolarHBondContact O-OG 3.49Å
102E86.4Confident75.9Confident21 Ų2172.7 Ų72.710%0.09839%0.387CS..Hα-helixtrans-62.6-48.6173.7-73.4-170.9-145.900110.2K98 L104 S105 R106 H753 N758K98-E102 WeakPolarHBondContact CE-OE1 3.49Å; K98-E102 HydrophobicContact CG-CG 4.48Å; K98-E102 WeakPolarHBondContact CG-OE1 3.38Å; K98-E102 WeakPolarHBondContact O-CB 3.31Å; K98-E102 VanDerWaalsContact O-CG 3.3Å; K98-E102 WeakPolarHBondContact O-CG 3.13Å; K98-E102 PolarHBondContact O-N 3.41Å; E102-L104 VanDerWaalsContact C-N 3.27Å; E102-L104 PolarHBondContact O-N 2.76Å; E102-S105 PolarHBondContact O-N 3.02Å; E102-S105 PolarHBondContact O-OG 2.92Å; E102-R106 PolarHBondContact O-N 3.39Å; E102-H753 VanDerWaalsContact CD-CE1 3.49Å; E102-H753 IonicContact OE1-CE1 2.67Å; E102-H753 IonicContact OE1-ND1 3.97Å; E102-H753 IonicContact OE2-CE1 3.87Å; E102-H753 PolarHBondContact OE2-CE1 2.72Å; E102-H753 IonicContact OE2-ND1 3.73Å; E102-H753 PolarHBondContact OE2-ND1 2.68Å; E102-N758 CarbonylContact C-O 3.59Å; E102-N758 WeakPolarHBondContact CA-ND2 3.3Å; E102-N758 HydrophobicContact CB-CB 3.68Å; E102-N758 VanDerWaalsContact CB-CG 3.46Å; E102-N758 WeakPolarHBondContact CB-O 3.47Å; E102-N758 HydrophobicContact CG-CB 4.27Å; E102-N758 VanDerWaalsContact CG-OD1 3.27Å; E102-N758 WeakPolarHBondContact CG-OD1 3.5Å; E102-N758 WeakPolarHBondContact O-CB 3.39Å; E102-N758 PolarHBondContact O-ND2 2.73Å; E102-N758 WeakPolarHBondContact OE2-CA 3.45Å; E102-N758 PolarHBondContact OE2-OD1 2.73Å
103D84.7Confident72.8Confident30 Ų3076.9 Ų76.916%0.1640%0.402CS..Hα-helixtrans-56.4-35.9174-98.79.7000113.6K3 A99 R100 R106 Q107 N758 T759K3-D103 IonicContact NZ-OD2 3.26Å; K3-D103 PolarHBondContact NZ-OD2 3.02Å; A99-D103 WeakPolarHBondContact O-CB 3.37Å; A99-D103 PolarHBondContact O-N 2.85Å; R100-D103 PolarHBondContact O-N 3.39Å; D103-R106 IonicContact OD1-NE 2.73Å; D103-Q107 PolarHBondContact O-NE2 2.96Å; D103-N758 PolarHBondContact N-O 2.67Å; D103-T759 VanDerWaalsContact OD1-CB 3.23Å; D103-T759 WeakPolarHBondContact OD1-CB 3.22Å; D103-T759 PolarHBondContact OD1-OG1 3.19Å
104L82.7Confident69.7Low76 Ų7688 Ų8840%0.39844%0.444SS..Hα-helixtrans-70.7-48.5-179.8-17669.6000111.8L6 R100 Y101 E102 R106 Q107L6-L104 HydrophobicContact CD1-CB 4.19Å; L6-L104 HydrophobicContact CD1-CD2 3.97Å; R100-L104 PolarHBondContact O-N 3.4Å; Y101-L104 PolarHBondContact O-N 2.97Å; E102-L104 VanDerWaalsContact C-N 3.27Å; E102-L104 PolarHBondContact O-N 2.76Å; L104-R106 PolarHBondContact O-N 2.76Å; L104-Q107 WeakPolarHBondContact O-CB 3.44Å; L104-Q107 PolarHBondContact O-N 3.33Å
105S76.6Confident66.5Low55 Ų5589.8 Ų89.839%0.38546%0.464SS..Hα-helixtrans-70.2-13.6-176.146.50000114.1Y101 E102 T108 N758Y101-S105 PolarHBondContact O-N 3.26Å; Y101-S105 VanDerWaalsContact O-N 3.07Å; Y101-S105 PolarHBondContact O-OG 3.49Å; E102-S105 PolarHBondContact O-N 3.02Å; E102-S105 PolarHBondContact O-OG 2.92Å; S105-T108 PolarHBondContact O-OG1 3.16Å; S105-T108 VanDerWaalsContact O-OG1 3.05Å; S105-N758 PolarHBondContact OG-ND2 3.22Å
106R70.8Confident63.4Low69 Ų6993.8 Ų93.826%0.2648%0.483SS..THydrogen-bonded Turntrans-62.7-39.4163.2-66.8171.7170.3-76.1-3.8113.4E102 D103 L104 T108 C757 N758E102-R106 PolarHBondContact O-N 3.39Å; D103-R106 IonicContact OD1-NE 2.73Å; L104-R106 PolarHBondContact O-N 2.76Å; R106-T108 PolarHBondContact O-N 3.42Å; R106-C757 PolarHBondContact NE-O 3.02Å; R106-C757 PolarHBondContact NH1-O 2.96Å; R106-C757 PolarHBondContact NH2-O 2.79Å; R106-N758 HydrophobicContact CG-CB 3.94Å; R106-N758 PolarHBondContact NE-O 3.31Å; R106-N758 PolarHBondContact NH2-O 3.28Å
107Q67.3Low60.1Low143 Ų143100.4 Ų100.467%0.66851%0.51SS*.THydrogen-bonded Turntrans-80.8-6.7-164.4-65169.256.600112.4D103 L104D103-Q107 PolarHBondContact O-NE2 2.96Å; L104-Q107 WeakPolarHBondContact O-CB 3.44Å; L104-Q107 PolarHBondContact O-N 3.33Å
108T56.6Low57.2Low109 Ų109105.6 Ų105.667%0.66954%0.543SS*.THydrogen-bonded Turntrans-97.511.7-177.744.30000114.3S105 R106S105-T108 PolarHBondContact O-OG1 3.16Å; S105-T108 VanDerWaalsContact O-OG1 3.05Å; R106-T108 PolarHBondContact O-N 3.42Å
109L39.2Very low54Low144 Ų144110 Ų11075%0.75457%0.566SS**SBendtrans-97126172.4-74.8168.4000110.7
110P38Very low50.9Low116 Ų116117 Ų11775%0.75360%0.595SS**PPolyproline II helixtrans-78.4138.8-173.730.4-34.9000113.6
111D30.7Very low47.8Very low160 Ų160122 Ų12286%0.85662%0.623SS**PPolyproline II helixtrans-68.7127.2177-100.6-50.9000113.1
112V32.9Very low44.8Very low130 Ų130130 Ų13079%0.78866%0.661SS**  trans-135.196.6163.9-175.70000110.2
113K28.8Very low42Very low191 Ų191137.8 Ų137.883%0.8369%0.694SS**  trans-142.3110.2166.8-84.9-169.9175.2-178.80111.4
114R29.6Very low39.4Very low240 Ų240141.6 Ų141.691%0.90672%0.721SS**  trans167.4135.5164-94.4155.7-168.9-1555.3106.3
115T27.4Very low36.7Very low119 Ų119144.1 Ų144.173%0.7374%0.735SS**  cis-160.6151.9-11.3-640000106.3
116I27.5Very low34.3Very low159 Ų159151 Ų15182%0.81576%0.757SS**  trans157.6131.9143.1-82.3154.9000110.3
117E24Very low32.2Very low181 Ų181153.4 Ų153.485%0.84678%0.782SS**  trans-133.8175.4166.3-70.4-169.1153.600107.2
118P31.9Very low30.4Very low109 Ų109155.1 Ų155.171%0.70879%0.79SS**  -132.9165.8-52.737.4-23.8000111.8
119Q27.2Very low29.1Very low201 Ų201157.1 Ų157.194%0.93980%0.797SS**  trans-139.8155.3152.7-78.7-157-15.800111.7
120Q25.6Very low28.7Very low169 Ų169155.1 Ų155.179%0.7979%0.79SS**  trans-105.5138.7-165.3-58.6163.9-24.300111.3
121N24.5Very low28.6Very low130 Ų130156.7 Ų156.770%0.69579%0.791SS**  175.7165101.4-100-45.1000115
122H28.4Very low29Very low178 Ų178153.2 Ų153.282%0.82478%0.779SS**  trans68.8116.2166.1-61.4-57.8000120.3
123K28.1Very low30.3Very low184 Ų184150.2 Ų150.280%0.876%0.764SS**  trans-133.2156.9150.7-122.9-177.2-176.9-171.80106
124P29Very low32.6Very low111 Ų111143.8 Ų143.872%0.72174%0.736SS**  -143.1151.371.235.6-16.8000117.3
125D26.1Very low35.2Very low129 Ų129134.1 Ų134.169%0.6970%0.699SS**  trans43.7113.7140.1-50-21000122.5
126K26.2Very low38.2Very low199 Ų199128.4 Ų128.487%0.86567%0.665SS**  -153.4163.3121-109.9169.4-177176.80110.5
127P26.7Very low41.3Very low119 Ų119123.5 Ų123.577%0.77364%0.638SS**  trans-81.4145.5-155.131.4-36.9000114.3
128Q30.1Very low44.4Very low180 Ų180115.1 Ų115.184%0.84160%0.599SS**  trans-105.193.9167.9-80.2-175.2-31.100110.3V130Q128-V130 HydrophobicContact CB-CG2 3.87Å; Q128-V130 HydrophobicContact CG-CG2 4.06Å
129N29.9Very low47.2Very low151 Ų151114.2 Ų114.281%0.80759%0.589SS**  trans-102.885.3159.9-165.422.2000107.1
130V30.9Very low50.3Low102 Ų102108 Ų10862%0.61856%0.56SS**  trans-105.580-167-177.50000110.3Q128Q128-V130 HydrophobicContact CB-CG2 3.87Å; Q128-V130 HydrophobicContact CG-CG2 4.06Å
131I35.2Very low53.6Low148 Ų148100 Ų10076%0.75952%0.522SS*.  trans-80.4124.4155.3-57.2173.4000105.5
132S38.3Very low56.9Low88 Ų8893.8 Ų93.862%0.61549%0.489SS*.  trans-136.5143.5-167.4-1670000114.8F134S132-F134 PolarHBondContact O-N 2.9Å
133S61.3Low59.9Low67 Ų6788.6 Ų88.647%0.46947%0.465SS..SBendtrans74.6-39.116070.60000121.5R254S133-R254 WeakPolarHBondContact O-CD 3.45Å; S133-R254 VanDerWaalsContact O-CG 3.32Å; S133-R254 WeakPolarHBondContact O-CG 3Å
134F75.9Confident63Low56 Ų5680.9 Ų80.925%0.24643%0.432CS..SBendtrans-85.8-40.8-168.2-163.1-86.5000115.8S132 L227 K237 R254 I255S132-F134 PolarHBondContact O-N 2.9Å; F134-L227 HydrophobicContact CE1-CD1 3.65Å; F134-L227 HydrophobicContact CZ-CD1 3.79Å; F134-K237 HydrophobicContact CE2-CD 4.35Å; F134-K237 HydrophobicContact CZ-CD 4.47Å; F134-R254 WeakPolarHBondContact O-CA 3.33Å; F134-I255 HydrophobicContact CE1-CD1 4.02Å; F134-I255 HydrophobicContact CZ-CD1 4.24Å; F134-I255 PolarHBondContact O-N 3.27Å
135W85.3Confident66Low36 Ų3676.3 Ų76.314%0.13640%0.402CS..EExtended strand (participates in β ladder)trans-108.3159.7-175.8-58.6104000112.1F220 D223 S225 L227 R254 I255 F257W135-F220 HydrophobicContact CH2-CB 3.95Å; W135-F220 AromaticContact CH2-CD2 3.63Å; W135-F220 HydrophobicContact CH2-CD2 3.63Å; W135-F220 HydrophobicContact CH2-CE2 4.35Å; W135-F220 AromaticContact CH2-CG 3.79Å; W135-F220 HydrophobicContact CH2-CG 3.79Å; W135-F220 HydrophobicContact CZ3-CB 4.19Å; W135-F220 AromaticContact CZ3-CD2 3.62Å; W135-F220 HydrophobicContact CZ3-CD2 3.62Å; W135-F220 HydrophobicContact CZ3-CE2 4.42Å; W135-F220 HydrophobicContact CZ3-CG 4.14Å; W135-D223 VanDerWaalsContact NE1-C 3.28Å; W135-D223 PolarHBondContact NE1-O 3.39Å; W135-S225 VanDerWaalsContact CH2-OG 3.25Å; W135-S225 WeakPolarHBondContact CH2-OG 3.3Å; W135-S225 VanDerWaalsContact CZ2-OG 3.31Å; W135-S225 WeakPolarHBondContact CZ2-OG 3.3Å; W135-L227 HydrophobicContact CH2-CD1 3.8Å; W135-L227 HydrophobicContact CZ2-CD1 4.33Å; W135-R254 PolarHBondContact O-NH1 2.85Å; W135-I255 HydrophobicContact CE3-CB 3.79Å; W135-I255 HydrophobicContact CE3-CG2 3.98Å; W135-I255 HydrophobicContact CZ3-CB 3.75Å; W135-I255 HydrophobicContact CZ3-CG2 3.56Å; W135-F257 HydrophobicContact CE3-CD2 4.49Å
136I91.1Very high69Low0 Ų075.9 Ų75.90%039%0.394CS..EExtended strand (participates in β ladder)trans-121.7128.8159.4-173.1169.9000109.2E140 L141 L144 I213 R254 I255 L256 F257I136-E140 HydrophobicContact CD1-CB 4.39Å; I136-E140 HydrophobicContact CD1-CG 4.29Å; I136-E140 HydrophobicContact CG1-CB 3.84Å; I136-E140 HydrophobicContact CG1-CG 4.04Å; I136-L141 HydrophobicContact CD1-CB 3.87Å; I136-L141 HydrophobicContact CD1-CD1 4.41Å; I136-L141 HydrophobicContact CG1-CB 4.22Å; I136-L144 HydrophobicContact CD1-CD1 3.49Å; I136-L144 VanDerWaalsContact CD1-CD1 3.49Å; I136-L144 HydrophobicContact CD1-CG 4.33Å; I136-I213 HydrophobicContact CD1-CD1 3.47Å; I136-I213 VanDerWaalsContact CD1-CD1 3.47Å; I136-I213 HydrophobicContact CD1-CG1 4.06Å; I136-I213 HydrophobicContact CG2-CG1 4.1Å; I136-I213 HydrophobicContact CG2-CG2 3.66Å; I136-R254 HydrophobicContact CB-CB 4.34Å; I136-R254 HydrophobicContact CG2-CB 4.45Å; I136-I255 PolarHBondContact N-O 2.91Å; I136-L256 HydrophobicContact CG2-CB 4.33Å; I136-L256 HydrophobicContact CG2-CD1 4.42Å; I136-F257 PolarHBondContact O-N 3.2Å
137Q91.1Very high71.9Confident55 Ų5573 Ų7326%0.25738%0.381SS..  trans-79.4150.8179.4-70.3-68.6-30.200110.9N139 E140 L141 D223Q137-N139 VanDerWaalsContact CB-OD1 3.24Å; Q137-N139 WeakPolarHBondContact CB-OD1 3.44Å; Q137-N139 PolarHBondContact O-N 3.22Å; Q137-N139 VanDerWaalsContact O-N 3.15Å; Q137-E140 HydrophobicContact CB-CB 4.34Å; Q137-E140 WeakPolarHBondContact O-CA 3.34Å; Q137-E140 WeakPolarHBondContact O-CB 3.44Å; Q137-E140 PolarHBondContact O-N 3.4Å; Q137-L141 PolarHBondContact O-N 3.05Å; Q137-D223 PolarHBondContact NE2-OD1 2.91Å; Q137-D223 PolarHBondContact NE2-OD2 2.83Å; Q137-D223 VanDerWaalsContact NE2-OD2 3.11Å
138T90.3Very high74.5Confident5 Ų575.5 Ų75.53%0.03138%0.383CS..Hα-helixtrans-55-38.2-174.9-360000113A142 D262 F263 Y267T138-A142 WeakPolarHBondContact O-CB 3.2Å; T138-A142 PolarHBondContact O-N 2.97Å; T138-A142 VanDerWaalsContact O-N 3.14Å; T138-D262 WeakPolarHBondContact CB-OD2 3.41Å; T138-D262 VanDerWaalsContact CG2-OD2 3.25Å; T138-D262 WeakPolarHBondContact CG2-OD2 3.43Å; T138-D262 PolarHBondContact OG1-OD2 3.42Å; T138-F263 VanDerWaalsContact CG2-CA 3.47Å; T138-F263 HydrophobicContact CG2-CB 3.82Å; T138-F263 HydrophobicContact CG2-CD2 3.6Å; T138-F263 HydrophobicContact CG2-CG 4.1Å; T138-Y267 HydrophobicContact CG2-CD2 4.06Å; T138-Y267 HydrophobicContact CG2-CE2 3.97Å; T138-Y267 WeakPolarHBondContact O-CE2 3.45Å
139N90Very high77Confident91 Ų9170.4 Ų70.449%0.48736%0.359SS..Hα-helixtrans-72.9-32.917664.7-49.4000113Q137 A142 E143 Y267Q137-N139 VanDerWaalsContact CB-OD1 3.24Å; Q137-N139 WeakPolarHBondContact CB-OD1 3.44Å; Q137-N139 PolarHBondContact O-N 3.22Å; Q137-N139 VanDerWaalsContact O-N 3.15Å; N139-A142 PolarHBondContact O-N 3.47Å; N139-E143 WeakPolarHBondContact O-CG 3.31Å; N139-E143 PolarHBondContact O-N 2.83Å; N139-Y267 WeakPolarHBondContact CA-OH 3.47Å; N139-Y267 WeakPolarHBondContact CB-OH 3.43Å
140E93.4Very high79.9Confident71 Ų7168.1 Ų68.133%0.33234%0.342SS..Hα-helixtrans-68.5-45.7176-166.7-165.215700110.4I136 Q137 A142 E143 L144 R254I136-E140 HydrophobicContact CD1-CB 4.39Å; I136-E140 HydrophobicContact CD1-CG 4.29Å; I136-E140 HydrophobicContact CG1-CB 3.84Å; I136-E140 HydrophobicContact CG1-CG 4.04Å; Q137-E140 HydrophobicContact CB-CB 4.34Å; Q137-E140 WeakPolarHBondContact O-CA 3.34Å; Q137-E140 WeakPolarHBondContact O-CB 3.44Å; Q137-E140 PolarHBondContact O-N 3.4Å; E140-A142 VanDerWaalsContact C-N 3.32Å; E140-A142 PolarHBondContact O-N 3.14Å; E140-E143 WeakPolarHBondContact O-CA 3.36Å; E140-E143 WeakPolarHBondContact O-CB 3.1Å; E140-E143 PolarHBondContact O-N 3.33Å; E140-L144 WeakPolarHBondContact O-CG 3.41Å; E140-L144 PolarHBondContact O-N 2.93Å; E140-R254 VanDerWaalsContact CD-NH1 3.3Å; E140-R254 IonicContact OE1-CZ 2.69Å; E140-R254 VanDerWaalsContact OE1-CZ 3.23Å; E140-R254 IonicContact OE1-NH1 3.83Å; E140-R254 PolarHBondContact OE1-NH1 3.41Å; E140-R254 IonicContact OE1-NH2 2.71Å; E140-R254 PolarHBondContact OE1-NH2 3.03Å; E140-R254 IonicContact OE2-NH1 3.34Å; E140-R254 PolarHBondContact OE2-NH1 3.41Å; E140-R254 VanDerWaalsContact OE2-NH1 3.09Å
141L94.2Very high82.9Confident0 Ų063.3 Ų63.30%031%0.312CS..Hα-helixtrans-58-44.9173.1176.957.4000111.4I136 Q137 E143 L144 I145 F151 I167 I213 L256 F263I136-L141 HydrophobicContact CD1-CB 3.87Å; I136-L141 HydrophobicContact CD1-CD1 4.41Å; I136-L141 HydrophobicContact CG1-CB 4.22Å; Q137-L141 PolarHBondContact O-N 3.05Å; L141-E143 PolarHBondContact O-N 2.92Å; L141-L144 PolarHBondContact O-N 3Å; L141-I145 HydrophobicContact CD1-CD1 4Å; L141-I145 HydrophobicContact CD1-CG1 4.19Å; L141-I145 HydrophobicContact CG-CD1 3.89Å; L141-I145 WeakPolarHBondContact O-CD1 3.47Å; L141-I145 VanDerWaalsContact O-CG1 3.27Å; L141-I145 WeakPolarHBondContact O-CG1 3.39Å; L141-I145 PolarHBondContact O-N 3.05Å; L141-F151 HydrophobicContact CD1-CE2 3.83Å; L141-F151 HydrophobicContact CD1-CZ 3.83Å; L141-I167 HydrophobicContact CD2-CD1 3.8Å; L141-I213 HydrophobicContact CD1-CD1 4.24Å; L141-I213 HydrophobicContact CD1-CG2 4.41Å; L141-L256 HydrophobicContact CB-CD1 4.28Å; L141-L256 HydrophobicContact CD2-CD1 3.71Å; L141-L256 HydrophobicContact CD2-CD2 3.74Å; L141-L256 HydrophobicContact CD2-CG 4.24Å; L141-F263 HydrophobicContact CB-CE2 4.29Å; L141-F263 HydrophobicContact CD2-CD2 3.94Å; L141-F263 HydrophobicContact CD2-CE2 3.93Å; L141-F263 HydrophobicContact CG-CD2 4.35Å; L141-F263 HydrophobicContact CG-CE2 3.88Å
142A92.7Very high85.8Confident0 Ų056.2 Ų56.20%028%0.276CS..Hα-helixtrans-60.3-33.2175.500000112.8T138 N139 E140 K146 F263 Y267 L270T138-A142 WeakPolarHBondContact O-CB 3.2Å; T138-A142 PolarHBondContact O-N 2.97Å; T138-A142 VanDerWaalsContact O-N 3.14Å; N139-A142 PolarHBondContact O-N 3.47Å; E140-A142 VanDerWaalsContact C-N 3.32Å; E140-A142 PolarHBondContact O-N 3.14Å; A142-K146 WeakPolarHBondContact O-CE 3.14Å; A142-K146 VanDerWaalsContact O-CG 3.24Å; A142-K146 WeakPolarHBondContact O-CG 3.24Å; A142-K146 PolarHBondContact O-N 2.88Å; A142-F263 HydrophobicContact CB-CE2 4.18Å; A142-Y267 HydrophobicContact CB-CD1 4.01Å; A142-Y267 HydrophobicContact CB-CD2 3.74Å; A142-Y267 HydrophobicContact CB-CE1 3.92Å; A142-Y267 HydrophobicContact CB-CE2 3.63Å; A142-Y267 HydrophobicContact CB-CG 3.94Å; A142-L270 HydrophobicContact CB-CD1 3.84Å
143E92.2Very high88.5Confident69 Ų6952.1 Ų52.132%0.32225%0.247SC..Hα-helixtrans-74.9-38174-75.6-64.5114.600113.2N139 E140 L141 I145 K146 K147N139-E143 WeakPolarHBondContact O-CG 3.31Å; N139-E143 PolarHBondContact O-N 2.83Å; E140-E143 WeakPolarHBondContact O-CA 3.36Å; E140-E143 WeakPolarHBondContact O-CB 3.1Å; E140-E143 PolarHBondContact O-N 3.33Å; L141-E143 PolarHBondContact O-N 2.92Å; E143-I145 VanDerWaalsContact C-N 3.34Å; E143-K146 PolarHBondContact O-N 3.45Å; E143-K146 WeakPolarHBondContact OE1-CD 3.26Å; E143-K146 IonicContact OE1-NZ 3.92Å; E143-K146 PolarHBondContact OE1-NZ 3.27Å; E143-K147 WeakPolarHBondContact O-CB 3.29Å; E143-K147 WeakPolarHBondContact O-CD 3.23Å; E143-K147 VanDerWaalsContact O-CG 3.28Å; E143-K147 WeakPolarHBondContact O-CG 3.32Å; E143-K147 PolarHBondContact O-N 2.94Å; E143-K147 WeakPolarHBondContact OE2-CE 3.49Å; E143-K147 IonicContact OE2-NZ 3.33Å; E143-K147 PolarHBondContact OE2-NZ 3.35Å
144L93.2Very high90.2Very high21 Ų2149 Ų4911%0.1123%0.225CC..Hα-helixtrans-62.2-41.6174-66-172.8000111.5I136 E140 L141 K147 Q148 H149 F151 I213I136-L144 HydrophobicContact CD1-CD1 3.49Å; I136-L144 VanDerWaalsContact CD1-CD1 3.49Å; I136-L144 HydrophobicContact CD1-CG 4.33Å; E140-L144 WeakPolarHBondContact O-CG 3.41Å; E140-L144 PolarHBondContact O-N 2.93Å; L141-L144 PolarHBondContact O-N 3Å; L144-K147 PolarHBondContact O-N 2.99Å; L144-Q148 PolarHBondContact O-N 3.06Å; L144-H149 HydrophobicContact CB-CB 4.05Å; L144-H149 HydrophobicContact CD2-CB 3.87Å; L144-H149 HydrophobicContact CG-CB 4.49Å; L144-H149 PolarHBondContact O-N 3.37Å; L144-F151 HydrophobicContact CB-CD1 3.94Å; L144-F151 HydrophobicContact CB-CE1 3.61Å; L144-F151 HydrophobicContact CB-CZ 4.34Å; L144-F151 HydrophobicContact CD1-CD1 4.26Å; L144-I213 HydrophobicContact CD1-CD1 3.69Å
145I92.5Very high91.2Very high15 Ų1546.4 Ų46.48%0.07721%0.214CC..Hα-helixtrans-61-52.7176.2-66.4159.5000110.5L141 E143 K147 Q148 F151 I167 F263 L270L141-I145 HydrophobicContact CD1-CD1 4Å; L141-I145 HydrophobicContact CD1-CG1 4.19Å; L141-I145 HydrophobicContact CG-CD1 3.89Å; L141-I145 WeakPolarHBondContact O-CD1 3.47Å; L141-I145 VanDerWaalsContact O-CG1 3.27Å; L141-I145 WeakPolarHBondContact O-CG1 3.39Å; L141-I145 PolarHBondContact O-N 3.05Å; E143-I145 VanDerWaalsContact C-N 3.34Å; I145-K147 VanDerWaalsContact C-N 3.26Å; I145-K147 PolarHBondContact O-N 3.12Å; I145-Q148 PolarHBondContact O-N 2.87Å; I145-F151 HydrophobicContact CG1-CE1 4.43Å; I145-F151 HydrophobicContact CG1-CZ 3.83Å; I145-I167 HydrophobicContact CD1-CG2 3.48Å; I145-I167 VanDerWaalsContact CD1-CG2 3.48Å; I145-I167 HydrophobicContact CG1-CG2 4.38Å; I145-F263 HydrophobicContact CD1-CE2 4.06Å; I145-F263 HydrophobicContact CD1-CZ 3.62Å; I145-L270 HydrophobicContact CG2-CD2 4.5Å
146K88.7Confident91.6Very high120 Ų12044.8 Ų44.852%0.52221%0.208SC..Hα-helixtrans-58.9-36.1179.2-71.1171.3-150.4168.40113.1A142 E143 Q148A142-K146 WeakPolarHBondContact O-CE 3.14Å; A142-K146 VanDerWaalsContact O-CG 3.24Å; A142-K146 WeakPolarHBondContact O-CG 3.24Å; A142-K146 PolarHBondContact O-N 2.88Å; E143-K146 PolarHBondContact O-N 3.45Å; E143-K146 WeakPolarHBondContact OE1-CD 3.26Å; E143-K146 IonicContact OE1-NZ 3.92Å; E143-K146 PolarHBondContact OE1-NZ 3.27Å; K146-Q148 PolarHBondContact O-N 3.15Å
147K88Confident91.8Very high139 Ų13945 Ų4560%0.60421%0.209SC*.THydrogen-bonded Turntrans-831.5-179.8-69.1165.7-170157.50113.1E143 L144 I145 H149E143-K147 WeakPolarHBondContact O-CB 3.29Å; E143-K147 WeakPolarHBondContact O-CD 3.23Å; E143-K147 VanDerWaalsContact O-CG 3.28Å; E143-K147 WeakPolarHBondContact O-CG 3.32Å; E143-K147 PolarHBondContact O-N 2.94Å; E143-K147 WeakPolarHBondContact OE2-CE 3.49Å; E143-K147 IonicContact OE2-NZ 3.33Å; E143-K147 PolarHBondContact OE2-NZ 3.35Å; L144-K147 PolarHBondContact O-N 2.99Å; I145-K147 VanDerWaalsContact C-N 3.26Å; I145-K147 PolarHBondContact O-N 3.12Å; K147-H149 PolarHBondContact O-N 2.77Å
148Q80.4Confident91.9Very high172 Ų17243.5 Ų43.580%0.80421%0.205SC*.THydrogen-bonded Turntrans48.740.5-173.2-62.3-173.6-29.100112L144 I145 K146L144-Q148 PolarHBondContact O-N 3.06Å; I145-Q148 PolarHBondContact O-N 2.87Å; K146-Q148 PolarHBondContact O-N 3.15Å
149H83.4Confident91.9Very high72 Ų7248.7 Ų48.733%0.33323%0.227SC..  trans-62.7146.4-179.6-165.7-90.1000110.1L144 K147 F151L144-H149 HydrophobicContact CB-CB 4.05Å; L144-H149 HydrophobicContact CD2-CB 3.87Å; L144-H149 HydrophobicContact CG-CB 4.49Å; L144-H149 PolarHBondContact O-N 3.37Å; K147-H149 PolarHBondContact O-N 2.77Å; H149-F151 HydrophobicContact CB-CD1 4.06Å; H149-F151 WeakPolarHBondContact O-CD1 3.38Å; H149-F151 PolarHBondContact O-N 2.97Å
150K89Confident91.9Very high104 Ų10449.5 Ų49.545%0.45223%0.23SC..  trans-87.159.5-167.6-173.8-138.8-175.5-162.90111.1K208 F209 D210K150-K208 WeakPolarHBondContact CE-O 3.49Å; K150-K208 PolarHBondContact NZ-O 2.93Å; K150-F209 CarbonylContact O-C 3.55Å; K150-F209 WeakPolarHBondContact O-CA 3.44Å; K150-D210 VanDerWaalsContact CD-CG 3.47Å; K150-D210 VanDerWaalsContact CD-OD1 3.32Å; K150-D210 WeakPolarHBondContact CD-OD1 3.31Å; K150-D210 WeakPolarHBondContact CD-OD2 3.22Å; K150-D210 IonicContact NZ-OD1 3.26Å; K150-D210 PolarHBondContact NZ-OD1 3.24Å; K150-D210 IonicContact NZ-OD2 2.7Å; K150-D210 PolarHBondContact O-N 3.07Å
151F94.3Very high91.8Very high0 Ų048.9 Ų48.90%023%0.227CC..EExtended strand (participates in β ladder)trans-103.4161.8176.670-86000112.4L141 L144 I145 H149 L153 F169 F209 D211 I213L141-F151 HydrophobicContact CD1-CE2 3.83Å; L141-F151 HydrophobicContact CD1-CZ 3.83Å; L144-F151 HydrophobicContact CB-CD1 3.94Å; L144-F151 HydrophobicContact CB-CE1 3.61Å; L144-F151 HydrophobicContact CB-CZ 4.34Å; L144-F151 HydrophobicContact CD1-CD1 4.26Å; I145-F151 HydrophobicContact CG1-CE1 4.43Å; I145-F151 HydrophobicContact CG1-CZ 3.83Å; H149-F151 HydrophobicContact CB-CD1 4.06Å; H149-F151 WeakPolarHBondContact O-CD1 3.38Å; H149-F151 PolarHBondContact O-N 2.97Å; F151-L153 HydrophobicContact CD2-CB 4.46Å; F151-L153 HydrophobicContact CE2-CB 4.08Å; F151-L153 HydrophobicContact CE2-CD1 4.48Å; F151-F169 HydrophobicContact CD1-CE1 4.22Å; F151-F169 HydrophobicContact CD1-CE2 4.28Å; F151-F169 AromaticContact CD1-CZ 3.67Å; F151-F169 HydrophobicContact CD1-CZ 3.67Å; F151-F169 HydrophobicContact CD2-CD1 4.47Å; F151-F169 AromaticContact CD2-CE1 3.66Å; F151-F169 HydrophobicContact CD2-CE1 3.66Å; F151-F169 AromaticContact CD2-CZ 3.97Å; F151-F169 HydrophobicContact CD2-CZ 3.97Å; F151-F169 HydrophobicContact CE1-CD2 4.28Å; F151-F169 AromaticContact CE1-CE1 3.88Å; F151-F169 HydrophobicContact CE1-CE1 3.88Å; F151-F169 AromaticContact CE1-CE2 3.57Å; F151-F169 HydrophobicContact CE1-CE2 3.57Å; F151-F169 AromaticContact CE1-CZ 3.33Å; F151-F169 HydrophobicContact CE1-CZ 3.33Å; F151-F169 AromaticContact CE2-CD1 3.72Å; F151-F169 HydrophobicContact CE2-CD1 3.72Å; F151-F169 AromaticContact CE2-CE1 3.3Å; F151-F169 HydrophobicContact CE2-CE1 3.3Å; F151-F169 HydrophobicContact CE2-CE2 4.41Å; F151-F169 HydrophobicContact CE2-CG 4.42Å; F151-F169 AromaticContact CE2-CZ 3.7Å; F151-F169 HydrophobicContact CE2-CZ 3.7Å; F151-F169 HydrophobicContact CG-CE1 4.12Å; F151-F169 AromaticContact CG-CZ 3.97Å; F151-F169 HydrophobicContact CG-CZ 3.97Å; F151-F169 AromaticContact CZ-CD1 3.76Å; F151-F169 HydrophobicContact CZ-CD1 3.76Å; F151-F169 AromaticContact CZ-CD2 3.97Å; F151-F169 HydrophobicContact CZ-CD2 3.97Å; F151-F169 AromaticContact CZ-CE1 3.41Å; F151-F169 HydrophobicContact CZ-CE1 3.41Å; F151-F169 VanDerWaalsContact CZ-CE1 3.41Å; F151-F169 AromaticContact CZ-CE2 3.66Å; F151-F169 HydrophobicContact CZ-CE2 3.66Å; F151-F169 HydrophobicContact CZ-CG 4.02Å; F151-F169 AromaticContact CZ-CZ 3.36Å; F151-F169 HydrophobicContact CZ-CZ 3.36Å; F151-F169 WeakPolarHBondContact O-CE1 3.45Å; F151-F169 WeakPolarHBondContact O-CZ 3.37Å; F151-F209 VanDerWaalsContact C-CD1 3.43Å; F151-F209 WeakPolarHBondContact O-CD1 3.07Å; F151-D211 CarbonylContact C-O 3.58Å; F151-D211 VanDerWaalsContact CA-O 3.24Å; F151-D211 WeakPolarHBondContact CA-O 3.32Å; F151-D211 HydrophobicContact CB-CB 3.98Å; F151-D211 WeakPolarHBondContact CB-O 3.49Å; F151-I213 HydrophobicContact CB-CD1 4.2Å; F151-I213 HydrophobicContact CD2-CB 4.49Å; F151-I213 HydrophobicContact CD2-CD1 3.59Å; F151-I213 HydrophobicContact CE2-CD1 4.07Å; F151-I213 HydrophobicContact CG-CD1 3.93Å
152L95.8Very high91.8Very high0 Ų049.4 Ų49.40%023%0.229CC..EExtended strand (participates in β ladder)trans-104.5130.6169.7-179.466.2000109.5I154 I173 L202 R206 F209 D211 I212 I213L152-I154 HydrophobicContact CD2-CD1 4.33Å; L152-I154 HydrophobicContact CD2-CG1 4.43Å; L152-I154 HydrophobicContact CG-CG1 4.31Å; L152-I173 HydrophobicContact CD1-CD1 4.03Å; L152-I173 HydrophobicContact CD1-CG1 4.24Å; L152-I173 HydrophobicContact CD2-CD1 4.28Å; L152-L202 HydrophobicContact CD1-CB 4.05Å; L152-L202 HydrophobicContact CD1-CD1 4.44Å; L152-L202 HydrophobicContact CD1-CD2 4.44Å; L152-R206 HydrophobicContact CD2-CB 3.97Å; L152-F209 HydrophobicContact CB-CB 4.16Å; L152-F209 HydrophobicContact CB-CD1 4.22Å; L152-F209 HydrophobicContact CB-CD2 3.82Å; L152-F209 HydrophobicContact CB-CE2 4.26Å; L152-F209 HydrophobicContact CB-CG 3.79Å; L152-F209 HydrophobicContact CD1-CE2 4.14Å; L152-F209 HydrophobicContact CD1-CZ 4.33Å; L152-F209 HydrophobicContact CD2-CD2 4.41Å; L152-F209 HydrophobicContact CG-CD2 4.48Å; L152-D211 PolarHBondContact N-O 3.45Å; L152-I212 HydrophobicContact CB-CG1 4.28Å; L152-I212 HydrophobicContact CD2-CD1 4.41Å; L152-I212 WeakPolarHBondContact O-CA 3.32Å; L152-I213 PolarHBondContact O-N 3.02Å
153L96.3Very high91.7Very high1 Ų154 Ų541%0.00525%0.251CS..EExtended strand (participates in β ladder)trans-102.7132174.9-172.163.3000110.2F151 I167 F169 N171 T172 I173 I213 L215F151-L153 HydrophobicContact CD2-CB 4.46Å; F151-L153 HydrophobicContact CE2-CB 4.08Å; F151-L153 HydrophobicContact CE2-CD1 4.48Å; L153-I167 HydrophobicContact CD2-CB 4Å; L153-I167 HydrophobicContact CD2-CD1 4.11Å; L153-I167 HydrophobicContact CD2-CG1 4.44Å; L153-I167 HydrophobicContact CD2-CG2 4.28Å; L153-F169 HydrophobicContact CB-CD1 4.02Å; L153-F169 HydrophobicContact CB-CE1 4.36Å; L153-N171 PolarHBondContact N-O 3.07Å; L153-T172 HydrophobicContact CB-CG2 4.15Å; L153-T172 HydrophobicContact CD2-CG2 3.93Å; L153-T172 HydrophobicContact CG-CG2 4.07Å; L153-T172 CarbonylContact O-C 3.48Å; L153-T172 WeakPolarHBondContact O-CA 3.46Å; L153-I173 PolarHBondContact O-N 2.82Å; L153-I213 CarbonylContact C-O 3.55Å; L153-I213 WeakPolarHBondContact CA-O 3.44Å; L153-I213 HydrophobicContact CD1-CB 4.1Å; L153-I213 HydrophobicContact CD1-CG2 3.72Å; L153-L215 HydrophobicContact CD1-CD2 4.07Å
154I96.6Very high91.6Very high1 Ų155.4 Ų55.41%0.00526%0.257CS..EExtended strand (participates in β ladder)trans-122.8111.3174.6-47.9-178.4000109.6L152 I173 L175 W203 I212 I213 L214 L215 L236 M240L152-I154 HydrophobicContact CD2-CD1 4.33Å; L152-I154 HydrophobicContact CD2-CG1 4.43Å; L152-I154 HydrophobicContact CG-CG1 4.31Å; I154-I173 WeakPolarHBondContact CA-O 3.34Å; I154-L175 HydrophobicContact CG2-CB 4.04Å; I154-W203 HydrophobicContact CD1-CE3 4.41Å; I154-W203 HydrophobicContact CD1-CZ3 3.94Å; I154-I212 HydrophobicContact CD1-CG2 4.07Å; I154-I212 HydrophobicContact CG1-CG2 4.45Å; I154-I213 PolarHBondContact N-O 3.17Å; I154-L214 HydrophobicContact CB-CD2 3.87Å; I154-L214 HydrophobicContact CD1-CD2 3.86Å; I154-L214 HydrophobicContact CG1-CD2 4.09Å; I154-L215 PolarHBondContact O-N 2.92Å; I154-L236 HydrophobicContact CG2-CD2 3.96Å; I154-M240 HydrophobicContact CD1-SD 4.5Å
155D96.2Very high91.4Very high2 Ų255 Ų551%0.01126%0.256CS..EExtended strand (participates in β ladder)trans-93.6109.6178-171.6-29.8000109.6R157 F162 I173 N174 L175 L215D155-R157 VanDerWaalsContact C-N 3.33Å; D155-R157 VanDerWaalsContact OD1-CB 3.23Å; D155-R157 WeakPolarHBondContact OD1-CB 3.38Å; D155-R157 WeakPolarHBondContact OD1-CG 3.47Å; D155-R157 IonicContact OD1-CZ 3.65Å; D155-R157 PolarHBondContact OD1-N 3.13Å; D155-R157 IonicContact OD1-NE 2.69Å; D155-R157 PolarHBondContact OD1-NE 3.21Å; D155-R157 IonicContact OD1-NH2 2.64Å; D155-R157 IonicContact OD2-CZ 2.73Å; D155-R157 IonicContact OD2-NE 3.52Å; D155-R157 PolarHBondContact OD2-NE 3.37Å; D155-R157 VanDerWaalsContact OD2-NE 3.1Å; D155-R157 IonicContact OD2-NH2 2.68Å; D155-R157 PolarHBondContact OD2-NH2 2.82Å; D155-F162 HydrophobicContact CB-CD2 3.95Å; D155-F162 HydrophobicContact CB-CE2 4.25Å; D155-F162 WeakPolarHBondContact OD2-CD2 3.41Å; D155-I173 PolarHBondContact N-O 3.48Å; D155-N174 WeakPolarHBondContact O-CA 3.45Å; D155-N174 PolarHBondContact O-ND2 2.95Å; D155-L175 PolarHBondContact O-N 3.3Å; D155-L215 HydrophobicContact CB-CD1 3.94Å; D155-L215 HydrophobicContact CB-CG 4.41Å; D155-L215 WeakPolarHBondContact OD1-CD1 3.25Å
156A95Very high91.4Very high2 Ų258.5 Ų58.52%0.01727%0.268CS..  trans-87.84.7-176.100000114.4L175 Y177 I180 L215 L233A156-L175 WeakPolarHBondContact CA-O 3.05Å; A156-Y177 WeakPolarHBondContact O-CB 3.34Å; A156-Y177 PolarHBondContact O-N 3Å; A156-I180 HydrophobicContact CB-CD1 4.12Å; A156-L215 WeakPolarHBondContact CB-O 3.28Å; A156-L215 PolarHBondContact N-O 3Å; A156-L233 HydrophobicContact CB-CD2 3.47Å; A156-L233 VanDerWaalsContact CB-CD2 3.47Å
157R94.6Very high91.6Very high5 Ų553 Ų532%0.01924%0.244CC..SBendtrans-70.7166.3177.3-57.5178-61.5138.89.8111D155 E161 C165 N174 P176 D216 E217D155-R157 VanDerWaalsContact C-N 3.33Å; D155-R157 VanDerWaalsContact OD1-CB 3.23Å; D155-R157 WeakPolarHBondContact OD1-CB 3.38Å; D155-R157 WeakPolarHBondContact OD1-CG 3.47Å; D155-R157 IonicContact OD1-CZ 3.65Å; D155-R157 PolarHBondContact OD1-N 3.13Å; D155-R157 IonicContact OD1-NE 2.69Å; D155-R157 PolarHBondContact OD1-NE 3.21Å; D155-R157 IonicContact OD1-NH2 2.64Å; D155-R157 IonicContact OD2-CZ 2.73Å; D155-R157 IonicContact OD2-NE 3.52Å; D155-R157 PolarHBondContact OD2-NE 3.37Å; D155-R157 VanDerWaalsContact OD2-NE 3.1Å; D155-R157 IonicContact OD2-NH2 2.68Å; D155-R157 PolarHBondContact OD2-NH2 2.82Å; R157-E161 HydrophobicContact CB-CB 3.94Å; R157-E161 PolarHBondContact NH1-O 2.98Å; R157-E161 PolarHBondContact NH2-O 3.29Å; R157-C165 PolarHBondContact NH1-O 3.25Å; R157-C165 PolarHBondContact NH2-O 2.83Å; R157-N174 PolarHBondContact O-ND2 3.35Å; R157-P176 WeakPolarHBondContact O-CA 3.39Å; R157-D216 HydrophobicContact CG-CB 4.48Å; R157-E217 WeakPolarHBondContact CD-OE2 3.46Å; R157-E217 HydrophobicContact CG-CB 4.02Å; R157-E217 IonicContact CZ-OE2 3.67Å; R157-E217 IonicContact NE-OE2 3.25Å; R157-E217 IonicContact NH1-OE2 2.76Å; R157-E217 PolarHBondContact NH1-OE2 2.89Å
158S93.3Very high91.8Very high24 Ų2448.3 Ų48.317%0.16823%0.232CC..  trans-59.9154.1176.1730000110.8I160 E161 F162S158-I160 PolarHBondContact O-N 3.41Å; S158-I160 VanDerWaalsContact O-N 3.11Å; S158-E161 WeakPolarHBondContact CA-OE2 3.39Å; S158-E161 WeakPolarHBondContact CB-OE2 3.45Å; S158-E161 PolarHBondContact N-OE2 3.09Å; S158-E161 PolarHBondContact O-N 3.02Å; S158-E161 VanDerWaalsContact O-N 3.08Å; S158-E161 WeakPolarHBondContact OG-CG 3.42Å; S158-E161 PolarHBondContact OG-N 2.92Å; S158-E161 PolarHBondContact OG-OE2 2.73Å; S158-F162 PolarHBondContact O-N 3.39Å; S158-F162 VanDerWaalsContact O-N 3.07Å
159K90.8Very high92.4Very high114 Ų11441.4 Ų41.450%0.49620%0.199SC..Hα-helixtrans-52.6-36.2178.3-179.1179.3170-176.90112.3F162 E163 N174 P176K159-F162 PolarHBondContact O-N 3.26Å; K159-E163 WeakPolarHBondContact CE-OE1 3.46Å; K159-E163 VanDerWaalsContact CE-OE2 3.27Å; K159-E163 WeakPolarHBondContact CE-OE2 3.49Å; K159-E163 HydrophobicContact CG-CG 4.36Å; K159-E163 IonicContact NZ-OE1 2.71Å; K159-E163 PolarHBondContact NZ-OE1 3.02Å; K159-E163 WeakPolarHBondContact O-CB 3Å; K159-E163 WeakPolarHBondContact O-CG 3.14Å; K159-E163 PolarHBondContact O-N 3.02Å; K159-N174 WeakPolarHBondContact CA-OD1 3.46Å; K159-P176 HydrophobicContact CB-CG 4.3Å
160I89.9Confident92.7Very high108 Ų10844.3 Ų44.355%0.55422%0.217SC*.Hα-helixtrans-67.1-46179.9-61.5170.4000111S158 F162 E163 Q164S158-I160 PolarHBondContact O-N 3.41Å; S158-I160 VanDerWaalsContact O-N 3.11Å; I160-F162 VanDerWaalsContact C-N 3.3Å; I160-F162 PolarHBondContact O-N 3.11Å; I160-E163 PolarHBondContact O-N 3.11Å; I160-Q164 HydrophobicContact CG2-CG 4.4Å; I160-Q164 WeakPolarHBondContact O-CB 3.39Å; I160-Q164 VanDerWaalsContact O-CG 3.24Å; I160-Q164 WeakPolarHBondContact O-CG 3.3Å; I160-Q164 PolarHBondContact O-N 3.15Å
161E91.6Very high93Very high58 Ų5841.7 Ų41.727%0.27121%0.208SC..Hα-helixtrans-64.9-35.3178.5-68160.6121.100111.9R157 S158 C165R157-E161 HydrophobicContact CB-CB 3.94Å; R157-E161 PolarHBondContact NH1-O 2.98Å; R157-E161 PolarHBondContact NH2-O 3.29Å; S158-E161 WeakPolarHBondContact CA-OE2 3.39Å; S158-E161 WeakPolarHBondContact CB-OE2 3.45Å; S158-E161 PolarHBondContact N-OE2 3.09Å; S158-E161 PolarHBondContact O-N 3.02Å; S158-E161 VanDerWaalsContact O-N 3.08Å; S158-E161 WeakPolarHBondContact OG-CG 3.42Å; S158-E161 PolarHBondContact OG-N 2.92Å; S158-E161 PolarHBondContact OG-OE2 2.73Å; E161-C165 PolarHBondContact O-N 3.44Å; E161-C165 VanDerWaalsContact O-O 3.1Å
162F93.5Very high93Very high10 Ų1042 Ų424%0.04421%0.21CC..Hα-helixtrans-69.6-44.9173.8177.9-102.8000113D155 S158 K159 I160 R166 T172 N174 F199D155-F162 HydrophobicContact CB-CD2 3.95Å; D155-F162 HydrophobicContact CB-CE2 4.25Å; D155-F162 WeakPolarHBondContact OD2-CD2 3.41Å; S158-F162 PolarHBondContact O-N 3.39Å; S158-F162 VanDerWaalsContact O-N 3.07Å; K159-F162 PolarHBondContact O-N 3.26Å; I160-F162 VanDerWaalsContact C-N 3.3Å; I160-F162 PolarHBondContact O-N 3.11Å; F162-R166 HydrophobicContact CD2-CB 3.79Å; F162-R166 HydrophobicContact CE2-CB 3.77Å; F162-R166 HydrophobicContact CE2-CG 4.41Å; F162-R166 HydrophobicContact CZ-CB 4.47Å; F162-R166 WeakPolarHBondContact O-CB 3.21Å; F162-T172 HydrophobicContact CE2-CG2 3.77Å; F162-T172 HydrophobicContact CZ-CG2 4.26Å; F162-N174 HydrophobicContact CB-CB 4.21Å; F162-N174 HydrophobicContact CD1-CB 3.61Å; F162-N174 HydrophobicContact CD2-CB 3.87Å; F162-N174 HydrophobicContact CE1-CB 3.81Å; F162-N174 HydrophobicContact CE2-CB 4.06Å; F162-N174 HydrophobicContact CG-CB 3.62Å; F162-N174 HydrophobicContact CZ-CB 4.02Å; F162-F199 HydrophobicContact CE1-CZ 4.11Å; F162-F199 HydrophobicContact CZ-CZ 4.28Å
163E90.5Very high93Very high96 Ų9642 Ų4245%0.44921%0.21SC..Hα-helixtrans-67.6-38.8178.8-75.2177.3153.600111.4K159 I160 T274K159-E163 WeakPolarHBondContact CE-OE1 3.46Å; K159-E163 VanDerWaalsContact CE-OE2 3.27Å; K159-E163 WeakPolarHBondContact CE-OE2 3.49Å; K159-E163 HydrophobicContact CG-CG 4.36Å; K159-E163 IonicContact NZ-OE1 2.71Å; K159-E163 PolarHBondContact NZ-OE1 3.02Å; K159-E163 WeakPolarHBondContact O-CB 3Å; K159-E163 WeakPolarHBondContact O-CG 3.14Å; K159-E163 PolarHBondContact O-N 3.02Å; I160-E163 PolarHBondContact O-N 3.11Å; E163-T274 WeakPolarHBondContact O-CG2 3.2Å; E163-T274 PolarHBondContact O-OG1 2.78Å
164Q89.1Confident93Very high100 Ų10042.3 Ų42.347%0.46721%0.212SC..Hα-helixtrans-64-47.4176.3-75.8174.3-2.200113.3I160 Q273 T274 I276I160-Q164 HydrophobicContact CG2-CG 4.4Å; I160-Q164 WeakPolarHBondContact O-CB 3.39Å; I160-Q164 VanDerWaalsContact O-CG 3.24Å; I160-Q164 WeakPolarHBondContact O-CG 3.3Å; I160-Q164 PolarHBondContact O-N 3.15Å; Q164-Q273 WeakPolarHBondContact O-CA 3.09Å; Q164-T274 PolarHBondContact O-N 3.21Å; Q164-I276 HydrophobicContact CG-CD1 4.35Å
165C89.3Confident92.9Very high12 Ų1242.3 Ų42.38%0.08121%0.212CC..EExtended strand (participates in β ladder)trans-154.7114.4-175.5179.10000111.4R157 E161 I272 Q273R157-C165 PolarHBondContact NH1-O 3.25Å; R157-C165 PolarHBondContact NH2-O 2.83Å; E161-C165 PolarHBondContact O-N 3.44Å; E161-C165 VanDerWaalsContact O-O 3.1Å; C165-I272 WeakPolarHBondContact CA-O 3.45Å; C165-Q273 HydrophobicContact CB-CG 4.22Å
166R92.6Very high92.7Very high89 Ų8942.4 Ų42.434%0.33621%0.212SC..EExtended strand (participates in β ladder)trans-129.9163.117863.6-177.8-168.4167.58.7112.2F162 L271 I272F162-R166 HydrophobicContact CD2-CB 3.79Å; F162-R166 HydrophobicContact CE2-CB 3.77Å; F162-R166 HydrophobicContact CE2-CG 4.41Å; F162-R166 HydrophobicContact CZ-CB 4.47Å; F162-R166 WeakPolarHBondContact O-CB 3.21Å; R166-L271 CarbonylContact O-C 3.42Å; R166-L271 WeakPolarHBondContact O-CA 3.37Å; R166-I272 HydrophobicContact CG-CB 4.06Å; R166-I272 PolarHBondContact N-O 3.01Å; R166-I272 PolarHBondContact O-N 3.28Å
167I94Very high92.4Very high3 Ų348.2 Ų48.22%0.01524%0.235CC..EExtended strand (participates in β ladder)trans-66.3140.4172-60.8-171.8000109.6L141 I145 L153 F169 L215 M260 F263L141-I167 HydrophobicContact CD2-CD1 3.8Å; I145-I167 HydrophobicContact CD1-CG2 3.48Å; I145-I167 VanDerWaalsContact CD1-CG2 3.48Å; I145-I167 HydrophobicContact CG1-CG2 4.38Å; L153-I167 HydrophobicContact CD2-CB 4Å; L153-I167 HydrophobicContact CD2-CD1 4.11Å; L153-I167 HydrophobicContact CD2-CG1 4.44Å; L153-I167 HydrophobicContact CD2-CG2 4.28Å; I167-F169 VanDerWaalsContact C-N 3.26Å; I167-F169 HydrophobicContact CG2-CB 4.14Å; I167-F169 PolarHBondContact O-N 3.41Å; I167-L215 HydrophobicContact CD1-CD2 3.8Å; I167-M260 HydrophobicContact CD1-SD 4.05Å; I167-M260 HydrophobicContact CG1-CE 3.82Å; I167-M260 HydrophobicContact CG1-SD 3.63Å; I167-F263 HydrophobicContact CD1-CD1 3.73Å; I167-F263 HydrophobicContact CD1-CD2 4.18Å; I167-F263 HydrophobicContact CD1-CE1 3.76Å; I167-F263 HydrophobicContact CD1-CE2 4.21Å; I167-F263 HydrophobicContact CD1-CG 3.96Å; I167-F263 HydrophobicContact CD1-CZ 4.01Å; I167-F263 HydrophobicContact CG1-CD1 3.88Å; I167-F263 HydrophobicContact CG1-CE1 3.81Å; I167-F263 HydrophobicContact CG1-CZ 4.44Å; I167-F263 HydrophobicContact CG2-CE1 4.21Å; I167-F263 HydrophobicContact CG2-CZ 4.31Å
168A91.6Very high92.1Very high42 Ų4251.7 Ų51.735%0.34725%0.254SS..SBendtrans-7770.7177.700000111.4L270 I272A168-L270 WeakPolarHBondContact CB-O 3.44Å; A168-L270 PolarHBondContact N-O 3.45Å; A168-I272 HydrophobicContact CB-CD1 4.38Å; A168-I272 HydrophobicContact CB-CG1 3.96Å
169F93.6Very high91.8Very high26 Ų2652.7 Ų52.711%0.11426%0.257CS..  trans-145.2130.6-178.1-174.7-113000111.6F151 L153 I167 N171 T172F151-F169 HydrophobicContact CD1-CE1 4.22Å; F151-F169 HydrophobicContact CD1-CE2 4.28Å; F151-F169 AromaticContact CD1-CZ 3.67Å; F151-F169 HydrophobicContact CD1-CZ 3.67Å; F151-F169 HydrophobicContact CD2-CD1 4.47Å; F151-F169 AromaticContact CD2-CE1 3.66Å; F151-F169 HydrophobicContact CD2-CE1 3.66Å; F151-F169 AromaticContact CD2-CZ 3.97Å; F151-F169 HydrophobicContact CD2-CZ 3.97Å; F151-F169 HydrophobicContact CE1-CD2 4.28Å; F151-F169 AromaticContact CE1-CE1 3.88Å; F151-F169 HydrophobicContact CE1-CE1 3.88Å; F151-F169 AromaticContact CE1-CE2 3.57Å; F151-F169 HydrophobicContact CE1-CE2 3.57Å; F151-F169 AromaticContact CE1-CZ 3.33Å; F151-F169 HydrophobicContact CE1-CZ 3.33Å; F151-F169 AromaticContact CE2-CD1 3.72Å; F151-F169 HydrophobicContact CE2-CD1 3.72Å; F151-F169 AromaticContact CE2-CE1 3.3Å; F151-F169 HydrophobicContact CE2-CE1 3.3Å; F151-F169 HydrophobicContact CE2-CE2 4.41Å; F151-F169 HydrophobicContact CE2-CG 4.42Å; F151-F169 AromaticContact CE2-CZ 3.7Å; F151-F169 HydrophobicContact CE2-CZ 3.7Å; F151-F169 HydrophobicContact CG-CE1 4.12Å; F151-F169 AromaticContact CG-CZ 3.97Å; F151-F169 HydrophobicContact CG-CZ 3.97Å; F151-F169 AromaticContact CZ-CD1 3.76Å; F151-F169 HydrophobicContact CZ-CD1 3.76Å; F151-F169 AromaticContact CZ-CD2 3.97Å; F151-F169 HydrophobicContact CZ-CD2 3.97Å; F151-F169 AromaticContact CZ-CE1 3.41Å; F151-F169 HydrophobicContact CZ-CE1 3.41Å; F151-F169 VanDerWaalsContact CZ-CE1 3.41Å; F151-F169 AromaticContact CZ-CE2 3.66Å; F151-F169 HydrophobicContact CZ-CE2 3.66Å; F151-F169 HydrophobicContact CZ-CG 4.02Å; F151-F169 AromaticContact CZ-CZ 3.36Å; F151-F169 HydrophobicContact CZ-CZ 3.36Å; F151-F169 WeakPolarHBondContact O-CE1 3.45Å; F151-F169 WeakPolarHBondContact O-CZ 3.37Å; L153-F169 HydrophobicContact CB-CD1 4.02Å; L153-F169 HydrophobicContact CB-CE1 4.36Å; I167-F169 VanDerWaalsContact C-N 3.26Å; I167-F169 HydrophobicContact CG2-CB 4.14Å; I167-F169 PolarHBondContact O-N 3.41Å; F169-N171 HydrophobicContact CD1-CB 4.32Å; F169-N171 HydrophobicContact CE1-CB 3.66Å; F169-N171 HydrophobicContact CZ-CB 4.1Å; F169-T172 WeakPolarHBondContact O-CB 3.16Å; F169-T172 PolarHBondContact O-OG1 2.71Å
170D88.9Confident91.8Very high134 Ų13447.5 Ų47.572%0.71724%0.235SC*.SBendtrans-73.8-37.1-168.4-64.3-34.9000113.8T172 F198D170-T172 PolarHBondContact O-N 3.33Å; D170-F198 WeakPolarHBondContact O-CZ 3.4Å
171N94.6Very high91.7Very high49 Ų4948.5 Ų48.526%0.26224%0.235SC..SBendtrans-81.555.5179.1-55.7-51.9000110.8L153 F169 L202 F209L153-N171 PolarHBondContact N-O 3.07Å; F169-N171 HydrophobicContact CD1-CB 4.32Å; F169-N171 HydrophobicContact CE1-CB 3.66Å; F169-N171 HydrophobicContact CZ-CB 4.1Å; N171-L202 HydrophobicContact CB-CD2 4.28Å; N171-F209 HydrophobicContact CB-CE1 3.89Å; N171-F209 HydrophobicContact CB-CZ 4.27Å
172T94.8Very high91.3Very high5 Ų554.7 Ų54.73%0.03126%0.256CS..EExtended strand (participates in β ladder)trans-118125.6-178.4-53.50000111.5L153 F162 F169 D170 F199L153-T172 HydrophobicContact CB-CG2 4.15Å; L153-T172 HydrophobicContact CD2-CG2 3.93Å; L153-T172 HydrophobicContact CG-CG2 4.07Å; L153-T172 CarbonylContact O-C 3.48Å; L153-T172 WeakPolarHBondContact O-CA 3.46Å; F162-T172 HydrophobicContact CE2-CG2 3.77Å; F162-T172 HydrophobicContact CZ-CG2 4.26Å; F169-T172 WeakPolarHBondContact O-CB 3.16Å; F169-T172 PolarHBondContact O-OG1 2.71Å; D170-T172 PolarHBondContact O-N 3.33Å; T172-F199 WeakPolarHBondContact O-CE1 3.5Å
173I96Very high90.8Very high1 Ų157.4 Ų57.41%0.00529%0.286CS..EExtended strand (participates in β ladder)trans-103.9136.7170.6-60.6172.3000108.7L152 L153 I154 D155 L193 F199 L202 W203L152-I173 HydrophobicContact CD1-CD1 4.03Å; L152-I173 HydrophobicContact CD1-CG1 4.24Å; L152-I173 HydrophobicContact CD2-CD1 4.28Å; L153-I173 PolarHBondContact O-N 2.82Å; I154-I173 WeakPolarHBondContact CA-O 3.34Å; D155-I173 PolarHBondContact N-O 3.48Å; I173-L193 HydrophobicContact CG2-CD1 4.24Å; I173-L193 HydrophobicContact CG2-CD2 4.16Å; I173-F199 HydrophobicContact CG1-CB 4.36Å; I173-F199 HydrophobicContact CG1-CD1 4.37Å; I173-F199 HydrophobicContact CG1-CG 4.48Å; I173-F199 HydrophobicContact CG2-CB 4.18Å; I173-F199 HydrophobicContact CG2-CD2 4.25Å; I173-F199 HydrophobicContact CG2-CG 4.14Å; I173-L202 HydrophobicContact CD1-CB 3.77Å; I173-L202 HydrophobicContact CG1-CB 3.88Å; I173-L202 HydrophobicContact CG1-CD1 4Å; I173-W203 HydrophobicContact CD1-CB 4.02Å; I173-W203 HydrophobicContact CD1-CE3 4.36Å
174N95.6Very high90.6Very high7 Ų753.9 Ų53.94%0.03727%0.271CS..EExtended strand (participates in β ladder)trans-96.8125.5162.2173.8-122.7000110.3D155 R157 K159 F162 P176 F199D155-N174 WeakPolarHBondContact O-CA 3.45Å; D155-N174 PolarHBondContact O-ND2 2.95Å; R157-N174 PolarHBondContact O-ND2 3.35Å; K159-N174 WeakPolarHBondContact CA-OD1 3.46Å; F162-N174 HydrophobicContact CB-CB 4.21Å; F162-N174 HydrophobicContact CD1-CB 3.61Å; F162-N174 HydrophobicContact CD2-CB 3.87Å; F162-N174 HydrophobicContact CE1-CB 3.81Å; F162-N174 HydrophobicContact CE2-CB 4.06Å; F162-N174 HydrophobicContact CG-CB 3.62Å; F162-N174 HydrophobicContact CZ-CB 4.02Å; N174-P176 WeakPolarHBondContact OD1-CG 3.35Å; N174-F199 HydrophobicContact CB-CE2 4.1Å; N174-F199 HydrophobicContact CB-CZ 4.34Å
175L94.9Very high90.6Very high1 Ų151.6 Ų51.61%0.00526%0.264CS..  trans-130.483.9178-176.463.5000109.6I154 D155 A156 I179 I180 I189 Y192 L236I154-L175 HydrophobicContact CG2-CB 4.04Å; D155-L175 PolarHBondContact O-N 3.3Å; A156-L175 WeakPolarHBondContact CA-O 3.05Å; L175-I179 HydrophobicContact CD1-CG2 4.27Å; L175-I180 HydrophobicContact CD2-CD1 4.02Å; L175-I180 HydrophobicContact CD2-CG1 4.12Å; L175-I180 HydrophobicContact CG-CD1 3.99Å; L175-I180 HydrophobicContact CG-CG1 4.01Å; L175-I180 WeakPolarHBondContact O-CD1 3.14Å; L175-I189 HydrophobicContact CD1-CG2 3.96Å; L175-I189 HydrophobicContact CD2-CD1 3.97Å; L175-I189 HydrophobicContact CD2-CG1 4.06Å; L175-I189 HydrophobicContact CD2-CG2 3.78Å; L175-Y192 HydrophobicContact CD1-CD1 3.69Å; L175-Y192 HydrophobicContact CD1-CE1 3.98Å; L175-L236 HydrophobicContact CD2-CD1 3.75Å; L175-L236 HydrophobicContact CD2-CD2 4.26Å
176P92.5Very high90.7Very high4 Ų451.3 Ų51.33%0.02626%0.262CS..  trans-52137.7-173.1-32.139000114.9R157 K159 N174 D178 I179R157-P176 WeakPolarHBondContact O-CA 3.39Å; K159-P176 HydrophobicContact CB-CG 4.3Å; N174-P176 WeakPolarHBondContact OD1-CG 3.35Å; P176-D178 WeakPolarHBondContact CB-OD1 3.28Å; P176-D178 PolarHBondContact O-N 2.99Å; P176-I179 WeakPolarHBondContact O-CB 3.11Å; P176-I179 PolarHBondContact O-N 3.49Å
177Y89Confident90.5Very high125 Ų12551.4 Ų51.449%0.4927%0.269SS..THydrogen-bonded Turntrans-55.7-24.1-176.961.5-99.7000114.6A156 I179 I180A156-Y177 WeakPolarHBondContact O-CB 3.34Å; A156-Y177 PolarHBondContact O-N 3Å; Y177-I179 PolarHBondContact O-N 3.07Å; Y177-I180 PolarHBondContact O-N 3.45Å; Y177-I180 VanDerWaalsContact O-N 3.15Å
178D87.1Confident90.3Very high78 Ų7854.9 Ų54.942%0.41729%0.288SS..THydrogen-bonded Turntrans-70.9-16.8175.565.6-73.7000113.3P176 K181P176-D178 WeakPolarHBondContact CB-OD1 3.28Å; P176-D178 PolarHBondContact O-N 2.99Å; D178-K181 WeakPolarHBondContact O-CD 3.39Å; D178-K181 WeakPolarHBondContact O-CE 3.27Å; D178-K181 PolarHBondContact O-NZ 3.22Å
179I88.7Confident90.3Very high44 Ų4453 Ų5323%0.22627%0.272CS..THydrogen-bonded Turntrans-85.2-26.1170.3-50.4-57.5000111.2L175 P176 Y177 K181 T184 Y192L175-I179 HydrophobicContact CD1-CG2 4.27Å; P176-I179 WeakPolarHBondContact O-CB 3.11Å; P176-I179 PolarHBondContact O-N 3.49Å; Y177-I179 PolarHBondContact O-N 3.07Å; I179-K181 PolarHBondContact O-N 3.22Å; I179-T184 PolarHBondContact O-OG1 2.67Å; I179-Y192 HydrophobicContact CD1-CD2 3.73Å; I179-Y192 HydrophobicContact CD1-CE2 3.56Å; I179-Y192 HydrophobicContact CG1-CD2 3.9Å; I179-Y192 HydrophobicContact CG1-CE1 4.31Å; I179-Y192 HydrophobicContact CG1-CE2 3.66Å; I179-Y192 HydrophobicContact CG1-CG 4.34Å; I179-Y192 HydrophobicContact CG2-CD1 4.34Å; I179-Y192 HydrophobicContact CG2-CD2 4.13Å; I179-Y192 HydrophobicContact CG2-CG 3.95Å
180I89.6Confident90.2Very high6 Ų652.7 Ų52.73%0.03127%0.273CS..  trans-92.687.4-174.3-47.9173.2000110.4A156 L175 Y177 P232 I235 L236A156-I180 HydrophobicContact CB-CD1 4.12Å; L175-I180 HydrophobicContact CD2-CD1 4.02Å; L175-I180 HydrophobicContact CD2-CG1 4.12Å; L175-I180 HydrophobicContact CG-CD1 3.99Å; L175-I180 HydrophobicContact CG-CG1 4.01Å; L175-I180 WeakPolarHBondContact O-CD1 3.14Å; Y177-I180 PolarHBondContact O-N 3.45Å; Y177-I180 VanDerWaalsContact O-N 3.15Å; I180-P232 HydrophobicContact CB-CB 4.13Å; I180-P232 HydrophobicContact CD1-CB 4.27Å; I180-P232 HydrophobicContact CG2-CB 4.14Å; I180-P232 VanDerWaalsContact CG2-O 3.32Å; I180-P232 WeakPolarHBondContact CG2-O 3.25Å; I180-I235 HydrophobicContact CG2-CB 3.84Å; I180-I235 HydrophobicContact CG2-CG2 3.67Å; I180-L236 HydrophobicContact CD1-CB 4.49Å; I180-L236 HydrophobicContact CD1-CD2 4.24Å; I180-L236 HydrophobicContact CG2-CB 4.37Å
181K87.5Confident90.3Very high128 Ų12850.3 Ų50.356%0.55726%0.26SS*.  trans-116.6163.2-178.2-75160.3174.4148.30110.9D178 I179 G183 T184 I235D178-K181 WeakPolarHBondContact O-CD 3.39Å; D178-K181 WeakPolarHBondContact O-CE 3.27Å; D178-K181 PolarHBondContact O-NZ 3.22Å; I179-K181 PolarHBondContact O-N 3.22Å; K181-G183 PolarHBondContact O-N 2.93Å; K181-G183 VanDerWaalsContact O-N 3.1Å; K181-T184 PolarHBondContact N-OG1 3.46Å; K181-T184 WeakPolarHBondContact O-CB 2.77Å; K181-T184 PolarHBondContact O-N 3.28Å; K181-T184 PolarHBondContact O-OG1 2.94Å; K181-T184 VanDerWaalsContact O-OG1 3.09Å; K181-I235 WeakPolarHBondContact O-CG2 3.47Å
182R83Confident90.1Very high189 Ų18951.2 Ų51.271%0.71326%0.26SS*.THydrogen-bonded Turntrans-53.3119.7173-82.9178.5161.2-162.2-4.7109.5N230 I235R182-N230 PolarHBondContact NE-OD1 2.87Å; R182-N230 PolarHBondContact NH2-OD1 2.86Å; R182-I235 HydrophobicContact CG-CD1 4.48Å
183G83.5Confident89.9Confident66 Ų6651.1 Ų51.168%0.6826%0.26SS*.THydrogen-bonded Turntrans97.2-3.9-177.200000115.5K181 T185K181-G183 PolarHBondContact O-N 2.93Å; K181-G183 VanDerWaalsContact O-N 3.1Å; G183-T185 PolarHBondContact O-N 3.44Å
184T87.6Confident89.6Confident23 Ų2356.9 Ų56.914%0.14129%0.287CS..  trans-62116.5170-64.40000110I179 K181 N188 I189I179-T184 PolarHBondContact O-OG1 2.67Å; K181-T184 PolarHBondContact N-OG1 3.46Å; K181-T184 WeakPolarHBondContact O-CB 2.77Å; K181-T184 PolarHBondContact O-N 3.28Å; K181-T184 PolarHBondContact O-OG1 2.94Å; K181-T184 VanDerWaalsContact O-OG1 3.09Å; T184-N188 HydrophobicContact CG2-CB 4.31Å; T184-I189 HydrophobicContact CG2-CD1 4.13Å; T184-I189 HydrophobicContact CG2-CG1 3.72Å
185T88.7Confident89.2Confident52 Ų5265.2 Ų65.232%0.31932%0.323SS..  trans-95.3168.2175.167.80000111.7G183 N187 N188 I189G183-T185 PolarHBondContact O-N 3.44Å; T185-N187 PolarHBondContact O-N 3.26Å; T185-N187 PolarHBondContact OG1-N 3.45Å; T185-N188 WeakPolarHBondContact CB-OD1 3.4Å; T185-N188 PolarHBondContact N-OD1 3.39Å; T185-N188 PolarHBondContact O-N 3.37Å; T185-N188 VanDerWaalsContact O-N 3.09Å; T185-N188 PolarHBondContact OG1-N 3.01Å; T185-N188 PolarHBondContact OG1-OD1 3.03Å; T185-I189 PolarHBondContact O-N 2.93Å; T185-I189 VanDerWaalsContact O-N 3.14Å
186V91.1Very high88.9Confident6 Ų668 Ų684%0.03634%0.337CS..Hα-helixtrans-60.3-26174-63.90000113.5S190 W203 A239 M240 D244V186-S190 WeakPolarHBondContact O-CB 3.24Å; V186-S190 PolarHBondContact O-N 3.14Å; V186-W203 HydrophobicContact CB-CZ2 3.94Å; V186-W203 HydrophobicContact CG1-CH2 4.46Å; V186-W203 HydrophobicContact CG1-CZ2 3.93Å; V186-W203 PolarHBondContact O-NE1 2.9Å; V186-A239 HydrophobicContact CG1-CB 4.15Å; V186-A239 WeakPolarHBondContact CG1-O 3.45Å; V186-M240 HydrophobicContact CG1-CG 4.23Å; V186-D244 HydrophobicContact CG1-CB 3.91Å; V186-D244 HydrophobicContact CG2-CB 4.07Å
187N88Confident88.8Confident91 Ų9174.3 Ų74.349%0.48737%0.371SS..Hα-helixtrans-73.5-40.3174.2-70-9.2000111.4T185 I189 S190 D191T185-N187 PolarHBondContact O-N 3.26Å; T185-N187 PolarHBondContact OG1-N 3.45Å; N187-I189 VanDerWaalsContact C-N 3.25Å; N187-I189 PolarHBondContact O-N 3.48Å; N187-S190 WeakPolarHBondContact O-CA 3.37Å; N187-S190 VanDerWaalsContact O-CB 3.27Å; N187-S190 WeakPolarHBondContact O-CB 3.34Å; N187-S190 PolarHBondContact O-N 3.31Å; N187-S190 VanDerWaalsContact O-N 3.13Å; N187-D191 PolarHBondContact O-N 3.42Å
188N89.9Confident89Confident76 Ų7673.5 Ų73.541%0.40637%0.37SS..Hα-helixtrans-64.3-32.4174.7-52.9121.2000112.3T184 T185 Y192T184-N188 HydrophobicContact CG2-CB 4.31Å; T185-N188 WeakPolarHBondContact CB-OD1 3.4Å; T185-N188 PolarHBondContact N-OD1 3.39Å; T185-N188 PolarHBondContact O-N 3.37Å; T185-N188 VanDerWaalsContact O-N 3.09Å; T185-N188 PolarHBondContact OG1-N 3.01Å; T185-N188 PolarHBondContact OG1-OD1 3.03Å; N188-Y192 PolarHBondContact O-N 3.17Å; N188-Y192 VanDerWaalsContact O-N 3.1Å
189I92Very high89.4Confident1 Ų171 Ų711%0.00536%0.356CS..Hα-helixtrans-69.8-46.1171.9-61.7167.3000110.2L175 T184 T185 N187 D191 Y192 L193 W203 L236L175-I189 HydrophobicContact CD1-CG2 3.96Å; L175-I189 HydrophobicContact CD2-CD1 3.97Å; L175-I189 HydrophobicContact CD2-CG1 4.06Å; L175-I189 HydrophobicContact CD2-CG2 3.78Å; T184-I189 HydrophobicContact CG2-CD1 4.13Å; T184-I189 HydrophobicContact CG2-CG1 3.72Å; T185-I189 PolarHBondContact O-N 2.93Å; T185-I189 VanDerWaalsContact O-N 3.14Å; N187-I189 VanDerWaalsContact C-N 3.25Å; N187-I189 PolarHBondContact O-N 3.48Å; I189-D191 VanDerWaalsContact C-N 3.29Å; I189-D191 PolarHBondContact O-N 2.9Å; I189-Y192 PolarHBondContact O-N 3.43Å; I189-L193 HydrophobicContact CG2-CD1 3.9Å; I189-L193 HydrophobicContact CG2-CG 4.29Å; I189-L193 WeakPolarHBondContact O-CB 3.48Å; I189-L193 VanDerWaalsContact O-CG 3.31Å; I189-L193 WeakPolarHBondContact O-CG 3.38Å; I189-L193 PolarHBondContact O-N 3.19Å; I189-W203 HydrophobicContact CB-CH2 4.3Å; I189-W203 HydrophobicContact CB-CZ2 3.73Å; I189-W203 HydrophobicContact CD1-CH2 3.72Å; I189-W203 HydrophobicContact CD1-CZ2 3.83Å; I189-W203 HydrophobicContact CG1-CZ2 4.39Å; I189-W203 HydrophobicContact CG2-CD2 3.86Å; I189-W203 HydrophobicContact CG2-CE3 4.13Å; I189-W203 HydrophobicContact CG2-CH2 3.84Å; I189-W203 HydrophobicContact CG2-CZ2 3.53Å; I189-W203 HydrophobicContact CG2-CZ3 4.12Å; I189-L236 HydrophobicContact CD1-CD1 3.62Å
190S91.2Very high89.6Confident20 Ų2070.8 Ų70.814%0.1435%0.353CS..Hα-helixtrans-52.6-46.7174.5-165.60000111.5V186 N187 L193 Q194 K200V186-S190 WeakPolarHBondContact O-CB 3.24Å; V186-S190 PolarHBondContact O-N 3.14Å; N187-S190 WeakPolarHBondContact O-CA 3.37Å; N187-S190 VanDerWaalsContact O-CB 3.27Å; N187-S190 WeakPolarHBondContact O-CB 3.34Å; N187-S190 PolarHBondContact O-N 3.31Å; N187-S190 VanDerWaalsContact O-N 3.13Å; S190-L193 PolarHBondContact O-N 2.78Å; S190-Q194 WeakPolarHBondContact O-CG 3.17Å; S190-Q194 PolarHBondContact O-N 2.66Å; S190-Q194 VanDerWaalsContact O-N 3.15Å; S190-K200 WeakPolarHBondContact O-CD 3.26Å; S190-K200 WeakPolarHBondContact O-CE 3.38Å; S190-K200 WeakPolarHBondContact OG-CE 3.46Å; S190-K200 PolarHBondContact OG-NZ 2.89Å
191D90.2Very high89.8Confident84 Ų8477.5 Ų77.545%0.44938%0.382SS..Hα-helixtrans-65.7-42.5178.3-66-27000113.1N187 I189 L193 Q194N187-D191 PolarHBondContact O-N 3.42Å; I189-D191 VanDerWaalsContact C-N 3.29Å; I189-D191 PolarHBondContact O-N 2.9Å; D191-L193 VanDerWaalsContact C-N 3.3Å; D191-L193 PolarHBondContact O-N 2.58Å; D191-Q194 WeakPolarHBondContact O-CB 3.36Å; D191-Q194 PolarHBondContact O-N 3.45Å; D191-Q194 PolarHBondContact OD1-NE2 2.88Å
192Y90.9Very high90.1Very high68 Ų6872.1 Ų72.127%0.26736%0.359SS..Hα-helixtrans-60.5-41.7173.5173.4-100.5000111.6L175 I179 N188 I189 Q194L175-Y192 HydrophobicContact CD1-CD1 3.69Å; L175-Y192 HydrophobicContact CD1-CE1 3.98Å; I179-Y192 HydrophobicContact CD1-CD2 3.73Å; I179-Y192 HydrophobicContact CD1-CE2 3.56Å; I179-Y192 HydrophobicContact CG1-CD2 3.9Å; I179-Y192 HydrophobicContact CG1-CE1 4.31Å; I179-Y192 HydrophobicContact CG1-CE2 3.66Å; I179-Y192 HydrophobicContact CG1-CG 4.34Å; I179-Y192 HydrophobicContact CG2-CD1 4.34Å; I179-Y192 HydrophobicContact CG2-CD2 4.13Å; I179-Y192 HydrophobicContact CG2-CG 3.95Å; N188-Y192 PolarHBondContact O-N 3.17Å; N188-Y192 VanDerWaalsContact O-N 3.1Å; I189-Y192 PolarHBondContact O-N 3.43Å; Y192-Q194 VanDerWaalsContact C-N 3.32Å; Y192-Q194 PolarHBondContact O-N 2.82Å
193L91.9Very high90.6Very high3 Ų363.2 Ų63.22%0.01633%0.326CS..Hα-helixtrans-75.9-11.6-178.1-65.9-178.9000114.2I173 I189 S190 D191 K195 N196 F199 K200 W203I173-L193 HydrophobicContact CG2-CD1 4.24Å; I173-L193 HydrophobicContact CG2-CD2 4.16Å; I189-L193 HydrophobicContact CG2-CD1 3.9Å; I189-L193 HydrophobicContact CG2-CG 4.29Å; I189-L193 WeakPolarHBondContact O-CB 3.48Å; I189-L193 VanDerWaalsContact O-CG 3.31Å; I189-L193 WeakPolarHBondContact O-CG 3.38Å; I189-L193 PolarHBondContact O-N 3.19Å; S190-L193 PolarHBondContact O-N 2.78Å; D191-L193 VanDerWaalsContact C-N 3.3Å; D191-L193 PolarHBondContact O-N 2.58Å; L193-K195 PolarHBondContact O-N 3.17Å; L193-N196 CarbonylContact O-C 3.6Å; L193-N196 PolarHBondContact O-N 2.79Å; L193-F199 HydrophobicContact CD2-CB 3.88Å; L193-F199 HydrophobicContact CD2-CD2 4.23Å; L193-K200 HydrophobicContact CB-CB 4.38Å; L193-K200 HydrophobicContact CB-CD 4.04Å; L193-W203 HydrophobicContact CD1-CB 3.56Å; L193-W203 HydrophobicContact CD1-CD2 4.09Å; L193-W203 HydrophobicContact CD1-CE3 4.49Å; L193-W203 HydrophobicContact CD1-CG 3.68Å
194Q89.5Confident91Very high122 Ų12262.9 Ų62.957%0.5731%0.309SS*.THydrogen-bonded Turntrans-55.1-17.6172.2-64.7-178.322.500113.4S190 D191 Y192 N196S190-Q194 WeakPolarHBondContact O-CG 3.17Å; S190-Q194 PolarHBondContact O-N 2.66Å; S190-Q194 VanDerWaalsContact O-N 3.15Å; D191-Q194 WeakPolarHBondContact O-CB 3.36Å; D191-Q194 PolarHBondContact O-N 3.45Å; D191-Q194 PolarHBondContact OD1-NE2 2.88Å; Y192-Q194 VanDerWaalsContact C-N 3.32Å; Y192-Q194 PolarHBondContact O-N 2.82Å; Q194-N196 VanDerWaalsContact C-N 3.28Å; Q194-N196 PolarHBondContact O-N 2.66Å
195K86Confident91.2Very high182 Ų18264 Ų6479%0.79131%0.314SS*.THydrogen-bonded Turntrans-79.9-3.3176.2-61.7173.5-176.2172.50114.1L193L193-K195 PolarHBondContact O-N 3.17Å
196N89.7Confident91.4Very high59 Ų5962 Ų6232%0.31630%0.3SS..  trans-149.196.8179.5-180-25.6000109.6L193 Q194 F198 F199 K200L193-N196 CarbonylContact O-C 3.6Å; L193-N196 PolarHBondContact O-N 2.79Å; Q194-N196 VanDerWaalsContact C-N 3.28Å; Q194-N196 PolarHBondContact O-N 2.66Å; N196-F198 PolarHBondContact O-N 3.43Å; N196-F198 VanDerWaalsContact O-N 3.09Å; N196-F198 WeakPolarHBondContact OD1-CB 3.34Å; N196-F198 PolarHBondContact OD1-N 2.88Å; N196-F198 VanDerWaalsContact OD1-N 3.14Å; N196-F199 HydrophobicContact CB-CB 4.23Å; N196-F199 HydrophobicContact CB-CD2 4.19Å; N196-F199 HydrophobicContact CB-CG 4.34Å; N196-F199 WeakPolarHBondContact ND2-CD2 3.47Å; N196-F199 WeakPolarHBondContact ND2-CE2 3.44Å; N196-F199 WeakPolarHBondContact ND2-CG 3.37Å; N196-F199 PolarHBondContact O-N 2.87Å; N196-F199 VanDerWaalsContact O-N 3.09Å; N196-F199 PolarHBondContact OD1-N 3.09Å; N196-F199 VanDerWaalsContact OD1-N 3.11Å; N196-K200 WeakPolarHBondContact O-CB 3.49Å; N196-K200 PolarHBondContact O-N 3.45Å
197D89.7Confident91.3Very high138 Ų13863.2 Ų63.274%0.73831%0.309SS*.Hα-helixtrans-53.6-32.8-177.3-61.4-38.8000113.7K201D197-K201 WeakPolarHBondContact O-CB 3.39Å; D197-K201 PolarHBondContact O-N 3.43Å
198F93.1Very high91.5Very high107 Ų10765 Ų6547%0.46931%0.312SS..Hα-helixtrans-69.9-48.9178.4179.9-102.4000111.4D170 N196 K201 L202D170-F198 WeakPolarHBondContact O-CZ 3.4Å; N196-F198 PolarHBondContact O-N 3.43Å; N196-F198 VanDerWaalsContact O-N 3.09Å; N196-F198 WeakPolarHBondContact OD1-CB 3.34Å; N196-F198 PolarHBondContact OD1-N 2.88Å; N196-F198 VanDerWaalsContact OD1-N 3.14Å; F198-K201 PolarHBondContact O-N 3.31Å; F198-L202 HydrophobicContact CD1-CD1 4.12Å; F198-L202 HydrophobicContact CE1-CD1 3.55Å; F198-L202 HydrophobicContact CE1-CG 4.38Å; F198-L202 HydrophobicContact CZ-CD1 3.84Å; F198-L202 HydrophobicContact CZ-CG 4.36Å; F198-L202 WeakPolarHBondContact O-CG 3.38Å; F198-L202 PolarHBondContact O-N 3.5Å
199F95.3Very high91.6Very high27 Ų2762.3 Ų62.312%0.11830%0.297CS..Hα-helixtrans-66.2-38.3175-67.3-10.4000112F162 T172 I173 N174 L193 N196 L202 W203F162-F199 HydrophobicContact CE1-CZ 4.11Å; F162-F199 HydrophobicContact CZ-CZ 4.28Å; T172-F199 WeakPolarHBondContact O-CE1 3.5Å; I173-F199 HydrophobicContact CG1-CB 4.36Å; I173-F199 HydrophobicContact CG1-CD1 4.37Å; I173-F199 HydrophobicContact CG1-CG 4.48Å; I173-F199 HydrophobicContact CG2-CB 4.18Å; I173-F199 HydrophobicContact CG2-CD2 4.25Å; I173-F199 HydrophobicContact CG2-CG 4.14Å; N174-F199 HydrophobicContact CB-CE2 4.1Å; N174-F199 HydrophobicContact CB-CZ 4.34Å; L193-F199 HydrophobicContact CD2-CB 3.88Å; L193-F199 HydrophobicContact CD2-CD2 4.23Å; N196-F199 HydrophobicContact CB-CB 4.23Å; N196-F199 HydrophobicContact CB-CD2 4.19Å; N196-F199 HydrophobicContact CB-CG 4.34Å; N196-F199 WeakPolarHBondContact ND2-CD2 3.47Å; N196-F199 WeakPolarHBondContact ND2-CE2 3.44Å; N196-F199 WeakPolarHBondContact ND2-CG 3.37Å; N196-F199 PolarHBondContact O-N 2.87Å; N196-F199 VanDerWaalsContact O-N 3.09Å; N196-F199 PolarHBondContact OD1-N 3.09Å; N196-F199 VanDerWaalsContact OD1-N 3.11Å; F199-L202 PolarHBondContact O-N 2.96Å; F199-W203 WeakPolarHBondContact O-CB 3.32Å; F199-W203 PolarHBondContact O-N 3.42Å
200K93.2Very high91.5Very high39 Ų3965.5 Ų65.517%0.1731%0.314CS..Hα-helixtrans-59.4-47.6174.2-17163.7171.173.30111.1S190 L193 N196 L202 W203 D204S190-K200 WeakPolarHBondContact O-CD 3.26Å; S190-K200 WeakPolarHBondContact O-CE 3.38Å; S190-K200 WeakPolarHBondContact OG-CE 3.46Å; S190-K200 PolarHBondContact OG-NZ 2.89Å; L193-K200 HydrophobicContact CB-CB 4.38Å; L193-K200 HydrophobicContact CB-CD 4.04Å; N196-K200 WeakPolarHBondContact O-CB 3.49Å; N196-K200 PolarHBondContact O-N 3.45Å; K200-L202 PolarHBondContact O-N 3.38Å; K200-W203 PolarHBondContact O-N 2.87Å; K200-D204 IonicContact NZ-OD1 3.25Å; K200-D204 PolarHBondContact NZ-OD1 3.35Å; K200-D204 IonicContact NZ-OD2 3.56Å; K200-D204 PolarHBondContact NZ-OD2 3.28Å; K200-D204 WeakPolarHBondContact O-CB 3.35Å; K200-D204 PolarHBondContact O-N 2.98Å
201K93.1Very high91.5Very high147 Ų14765.2 Ų65.264%0.63931%0.311SS*.Hα-helixtrans-62.7-41177.3-175.9179.5-179.7-177.10112.5D197 F198 N205D197-K201 WeakPolarHBondContact O-CB 3.39Å; D197-K201 PolarHBondContact O-N 3.43Å; F198-K201 PolarHBondContact O-N 3.31Å; K201-N205 WeakPolarHBondContact O-CB 3.43Å; K201-N205 PolarHBondContact O-N 2.73Å; K201-N205 PolarHBondContact O-ND2 2.88Å
202L94.4Very high91.7Very high14 Ų1461.3 Ų61.37%0.07329%0.29CS..Hα-helixtrans-62.9-46.5173.4-73.5177.3000111.2L152 N171 I173 F198 F199 K200 N205 R206 F209L152-L202 HydrophobicContact CD1-CB 4.05Å; L152-L202 HydrophobicContact CD1-CD1 4.44Å; L152-L202 HydrophobicContact CD1-CD2 4.44Å; N171-L202 HydrophobicContact CB-CD2 4.28Å; I173-L202 HydrophobicContact CD1-CB 3.77Å; I173-L202 HydrophobicContact CG1-CB 3.88Å; I173-L202 HydrophobicContact CG1-CD1 4Å; F198-L202 HydrophobicContact CD1-CD1 4.12Å; F198-L202 HydrophobicContact CE1-CD1 3.55Å; F198-L202 HydrophobicContact CE1-CG 4.38Å; F198-L202 HydrophobicContact CZ-CD1 3.84Å; F198-L202 HydrophobicContact CZ-CG 4.36Å; F198-L202 WeakPolarHBondContact O-CG 3.38Å; F198-L202 PolarHBondContact O-N 3.5Å; F199-L202 PolarHBondContact O-N 2.96Å; K200-L202 PolarHBondContact O-N 3.38Å; L202-N205 CarbonylContact O-C 3.6Å; L202-N205 PolarHBondContact O-N 3.28Å; L202-R206 PolarHBondContact O-N 3.31Å; L202-F209 HydrophobicContact CD2-CE2 4.43Å; L202-F209 HydrophobicContact CD2-CZ 3.81Å
203W94.3Very high92Very high2 Ų258.1 Ų58.11%0.00828%0.277CS..Hα-helixtrans-61.2-48.3179.5-178.8-107000112.5I154 I173 V186 I189 L193 F199 K200 N205 R206 L236 M240I154-W203 HydrophobicContact CD1-CE3 4.41Å; I154-W203 HydrophobicContact CD1-CZ3 3.94Å; I173-W203 HydrophobicContact CD1-CB 4.02Å; I173-W203 HydrophobicContact CD1-CE3 4.36Å; V186-W203 HydrophobicContact CB-CZ2 3.94Å; V186-W203 HydrophobicContact CG1-CH2 4.46Å; V186-W203 HydrophobicContact CG1-CZ2 3.93Å; V186-W203 PolarHBondContact O-NE1 2.9Å; I189-W203 HydrophobicContact CB-CH2 4.3Å; I189-W203 HydrophobicContact CB-CZ2 3.73Å; I189-W203 HydrophobicContact CD1-CH2 3.72Å; I189-W203 HydrophobicContact CD1-CZ2 3.83Å; I189-W203 HydrophobicContact CG1-CZ2 4.39Å; I189-W203 HydrophobicContact CG2-CD2 3.86Å; I189-W203 HydrophobicContact CG2-CE3 4.13Å; I189-W203 HydrophobicContact CG2-CH2 3.84Å; I189-W203 HydrophobicContact CG2-CZ2 3.53Å; I189-W203 HydrophobicContact CG2-CZ3 4.12Å; L193-W203 HydrophobicContact CD1-CB 3.56Å; L193-W203 HydrophobicContact CD1-CD2 4.09Å; L193-W203 HydrophobicContact CD1-CE3 4.49Å; L193-W203 HydrophobicContact CD1-CG 3.68Å; F199-W203 WeakPolarHBondContact O-CB 3.32Å; F199-W203 PolarHBondContact O-N 3.42Å; K200-W203 PolarHBondContact O-N 2.87Å; W203-N205 PolarHBondContact O-N 3.32Å; W203-R206 VanDerWaalsContact O-CB 3.25Å; W203-R206 WeakPolarHBondContact O-CB 3.27Å; W203-R206 WeakPolarHBondContact O-CD 3.49Å; W203-R206 WeakPolarHBondContact O-CG 3.08Å; W203-R206 PolarHBondContact O-N 2.87Å; W203-R206 VanDerWaalsContact O-N 3.1Å; W203-R206 PolarHBondContact O-NH1 3.38Å; W203-L236 HydrophobicContact CH2-CD1 4.06Å; W203-L236 HydrophobicContact CZ3-CD1 4.31Å; W203-M240 HydrophobicContact CH2-CG 3.83Å; W203-M240 HydrophobicContact CH2-SD 3.77Å; W203-M240 HydrophobicContact CZ3-CG 4.47Å; W203-M240 HydrophobicContact CZ3-SD 3.8Å
204D91.6Very high92.1Very high60 Ų6058 Ų5832%0.32128%0.277SS..Hα-helixtrans-66.7-17.1-179.7-64.8-14.9000112.9K200K200-D204 IonicContact NZ-OD1 3.25Å; K200-D204 PolarHBondContact NZ-OD1 3.35Å; K200-D204 IonicContact NZ-OD2 3.56Å; K200-D204 PolarHBondContact NZ-OD2 3.28Å; K200-D204 WeakPolarHBondContact O-CB 3.35Å; K200-D204 PolarHBondContact O-N 2.98Å
205N91.4Very high92.4Very high46 Ų4652.1 Ų52.125%0.24625%0.25CC..THydrogen-bonded Turntrans-107.916.4176.9-69.5-94.2000112.5K201 L202 W203 S207 K208K201-N205 WeakPolarHBondContact O-CB 3.43Å; K201-N205 PolarHBondContact O-N 2.73Å; K201-N205 PolarHBondContact O-ND2 2.88Å; L202-N205 CarbonylContact O-C 3.6Å; L202-N205 PolarHBondContact O-N 3.28Å; W203-N205 PolarHBondContact O-N 3.32Å; N205-S207 VanDerWaalsContact C-N 3.25Å; N205-S207 PolarHBondContact O-N 3.02Å; N205-S207 VanDerWaalsContact O-N 3.17Å; N205-K208 HydrophobicContact CB-CD 4.19Å; N205-K208 WeakPolarHBondContact O-CB 3.32Å; N205-K208 PolarHBondContact O-N 3.17Å; N205-K208 WeakPolarHBondContact OD1-CD 3.49Å; N205-K208 WeakPolarHBondContact OD1-CE 3.41Å; N205-K208 PolarHBondContact OD1-NZ 2.95Å
206R93.1Very high92.7Very high11 Ų1144.7 Ų44.74%0.04222%0.218CC..G310 helixtrans-52.5-37.2-177.262.7-171.1168.6-83.64.4114.3L152 L202 W203 K208 F209 I212 D244 Q247 L249L152-R206 HydrophobicContact CD2-CB 3.97Å; L202-R206 PolarHBondContact O-N 3.31Å; W203-R206 VanDerWaalsContact O-CB 3.25Å; W203-R206 WeakPolarHBondContact O-CB 3.27Å; W203-R206 WeakPolarHBondContact O-CD 3.49Å; W203-R206 WeakPolarHBondContact O-CG 3.08Å; W203-R206 PolarHBondContact O-N 2.87Å; W203-R206 VanDerWaalsContact O-N 3.1Å; W203-R206 PolarHBondContact O-NH1 3.38Å; R206-K208 PolarHBondContact O-N 2.7Å; R206-F209 PolarHBondContact O-N 2.9Å; R206-I212 HydrophobicContact CB-CD1 4.05Å; R206-D244 IonicContact CZ-OD2 2.69Å; R206-D244 IonicContact NE-OD2 2.61Å; R206-D244 PolarHBondContact NE-OD2 3.34Å; R206-D244 IonicContact NH2-OD1 2.73Å; R206-D244 PolarHBondContact NH2-OD1 3.04Å; R206-D244 IonicContact NH2-OD2 3.81Å; R206-D244 PolarHBondContact NH2-OD2 3.41Å; R206-Q247 HydrophobicContact CG-CB 4.13Å; R206-Q247 HydrophobicContact CG-CG 4.28Å; R206-Q247 VanDerWaalsContact CZ-CG 3.5Å; R206-L249 HydrophobicContact CG-CD2 4.2Å
207S89.6Confident92.8Very high31 Ų3143.4 Ų43.422%0.21721%0.21CC..G310 helixtrans-63.2-16175.455.10000115.1N205 Q247 V248N205-S207 VanDerWaalsContact C-N 3.25Å; N205-S207 PolarHBondContact O-N 3.02Å; N205-S207 VanDerWaalsContact O-N 3.17Å; S207-Q247 VanDerWaalsContact CB-OE1 3.28Å; S207-Q247 PolarHBondContact OG-OE1 2.95Å; S207-V248 VanDerWaalsContact CB-O 3.23Å; S207-V248 WeakPolarHBondContact CB-O 3.5Å
208K90.9Very high92.4Very high127 Ų12741.3 Ų41.355%0.55220%0.199SC*.G310 helixtrans-89.6-8.8-178.6-61.5-178.5-176.8166.10113.3K150 N205 R206K150-K208 WeakPolarHBondContact CE-O 3.49Å; K150-K208 PolarHBondContact NZ-O 2.93Å; N205-K208 HydrophobicContact CB-CD 4.19Å; N205-K208 WeakPolarHBondContact O-CB 3.32Å; N205-K208 PolarHBondContact O-N 3.17Å; N205-K208 WeakPolarHBondContact OD1-CD 3.49Å; N205-K208 WeakPolarHBondContact OD1-CE 3.41Å; N205-K208 PolarHBondContact OD1-NZ 2.95Å; R206-K208 PolarHBondContact O-N 2.7Å
209F92.5Very high91.6Very high21 Ų2137 Ų379%0.09218%0.184CC..SBendtrans-87.2150.7174.4-64.3-85.1000110K150 F151 L152 N171 L202 R206 T250K150-F209 CarbonylContact O-C 3.55Å; K150-F209 WeakPolarHBondContact O-CA 3.44Å; F151-F209 VanDerWaalsContact C-CD1 3.43Å; F151-F209 WeakPolarHBondContact O-CD1 3.07Å; L152-F209 HydrophobicContact CB-CB 4.16Å; L152-F209 HydrophobicContact CB-CD1 4.22Å; L152-F209 HydrophobicContact CB-CD2 3.82Å; L152-F209 HydrophobicContact CB-CE2 4.26Å; L152-F209 HydrophobicContact CB-CG 3.79Å; L152-F209 HydrophobicContact CD1-CE2 4.14Å; L152-F209 HydrophobicContact CD1-CZ 4.33Å; L152-F209 HydrophobicContact CD2-CD2 4.41Å; L152-F209 HydrophobicContact CG-CD2 4.48Å; N171-F209 HydrophobicContact CB-CE1 3.89Å; N171-F209 HydrophobicContact CB-CZ 4.27Å; L202-F209 HydrophobicContact CD2-CE2 4.43Å; L202-F209 HydrophobicContact CD2-CZ 3.81Å; R206-F209 PolarHBondContact O-N 2.9Å; F209-T250 PolarHBondContact O-OG1 2.89Å
210D90.5Very high90.4Very high68 Ų6837.2 Ų37.236%0.36419%0.186SC..SBendtrans-83.7-19.7-174.9-53.2-24.8000111.7K150 T250K150-D210 VanDerWaalsContact CD-CG 3.47Å; K150-D210 VanDerWaalsContact CD-OD1 3.32Å; K150-D210 WeakPolarHBondContact CD-OD1 3.31Å; K150-D210 WeakPolarHBondContact CD-OD2 3.22Å; K150-D210 IonicContact NZ-OD1 3.26Å; K150-D210 PolarHBondContact NZ-OD1 3.24Å; K150-D210 IonicContact NZ-OD2 2.7Å; K150-D210 PolarHBondContact O-N 3.07Å; D210-T250 VanDerWaalsContact C-OG1 3.31Å; D210-T250 PolarHBondContact O-OG1 3.33Å
211D91Very high88.9Confident13 Ų1341.2 Ų41.27%0.0721%0.209CC..EExtended strand (participates in β ladder)trans-148.7153.9177.1-166.1-4.7000109.6F151 L152 R254F151-D211 CarbonylContact C-O 3.58Å; F151-D211 VanDerWaalsContact CA-O 3.24Å; F151-D211 WeakPolarHBondContact CA-O 3.32Å; F151-D211 HydrophobicContact CB-CB 3.98Å; F151-D211 WeakPolarHBondContact CB-O 3.49Å; L152-D211 PolarHBondContact N-O 3.45Å; D211-R254 IonicContact OD1-NE 2.93Å; D211-R254 IonicContact OD2-CZ 3.16Å; D211-R254 VanDerWaalsContact OD2-CZ 3.25Å; D211-R254 IonicContact OD2-NE 3.1Å; D211-R254 PolarHBondContact OD2-NE 3.32Å; D211-R254 IonicContact OD2-NH2 2.74Å; D211-R254 PolarHBondContact OD2-NH2 3.18Å
212I94.8Very high87.1Confident3 Ų335.9 Ų35.92%0.01519%0.19CC..EExtended strand (participates in β ladder)trans-129.5120.5175-58.7-171.9000108.5L152 I154 R206 L214 M240 L249 P253 R254L152-I212 HydrophobicContact CB-CG1 4.28Å; L152-I212 HydrophobicContact CD2-CD1 4.41Å; L152-I212 WeakPolarHBondContact O-CA 3.32Å; I154-I212 HydrophobicContact CD1-CG2 4.07Å; I154-I212 HydrophobicContact CG1-CG2 4.45Å; R206-I212 HydrophobicContact CB-CD1 4.05Å; I212-L214 HydrophobicContact CG2-CD2 3.99Å; I212-M240 HydrophobicContact CG2-CE 4.47Å; I212-L249 HydrophobicContact CD1-CD1 4.03Å; I212-L249 HydrophobicContact CD1-CD2 3.72Å; I212-L249 HydrophobicContact CD1-CG 4.49Å; I212-P253 HydrophobicContact CB-CB 4.14Å; I212-P253 HydrophobicContact CB-CG 4.24Å; I212-P253 HydrophobicContact CG2-CB 4.23Å; I212-P253 CarbonylContact O-C 3.43Å; I212-P253 VanDerWaalsContact O-CA 3.22Å; I212-P253 WeakPolarHBondContact O-CA 3.48Å; I212-R254 PolarHBondContact O-N 3Å
213I95.5Very high85.1Confident0 Ų037.1 Ų37.10%020%0.197CC..EExtended strand (participates in β ladder)trans-115.2126.8-173.2-69.1151000110.1I136 L141 L144 F151 L152 L153 I154 R254I136-I213 HydrophobicContact CD1-CD1 3.47Å; I136-I213 VanDerWaalsContact CD1-CD1 3.47Å; I136-I213 HydrophobicContact CD1-CG1 4.06Å; I136-I213 HydrophobicContact CG2-CG1 4.1Å; I136-I213 HydrophobicContact CG2-CG2 3.66Å; L141-I213 HydrophobicContact CD1-CD1 4.24Å; L141-I213 HydrophobicContact CD1-CG2 4.41Å; L144-I213 HydrophobicContact CD1-CD1 3.69Å; F151-I213 HydrophobicContact CB-CD1 4.2Å; F151-I213 HydrophobicContact CD2-CB 4.49Å; F151-I213 HydrophobicContact CD2-CD1 3.59Å; F151-I213 HydrophobicContact CE2-CD1 4.07Å; F151-I213 HydrophobicContact CG-CD1 3.93Å; L152-I213 PolarHBondContact O-N 3.02Å; L153-I213 CarbonylContact C-O 3.55Å; L153-I213 WeakPolarHBondContact CA-O 3.44Å; L153-I213 HydrophobicContact CD1-CB 4.1Å; L153-I213 HydrophobicContact CD1-CG2 3.72Å; I154-I213 PolarHBondContact N-O 3.17Å; I213-R254 CarbonylContact C-O 3.55Å; I213-R254 WeakPolarHBondContact CA-O 3.02Å; I213-R254 HydrophobicContact CG1-CB 4.48Å
214L95.5Very high82.8Confident0 Ų039.8 Ų39.80%021%0.209CC..EExtended strand (participates in β ladder)trans-109135-176.6-46.3-178.1000109.9I154 I212 L233 L236 K237 M240 P253 R254 I255 L256I154-L214 HydrophobicContact CB-CD2 3.87Å; I154-L214 HydrophobicContact CD1-CD2 3.86Å; I154-L214 HydrophobicContact CG1-CD2 4.09Å; I212-L214 HydrophobicContact CG2-CD2 3.99Å; L214-L233 HydrophobicContact CB-CD2 4.27Å; L214-L236 HydrophobicContact CD1-CD2 4.38Å; L214-L236 HydrophobicContact CD1-CG 4.44Å; L214-L236 HydrophobicContact CD2-CD2 3.94Å; L214-L236 HydrophobicContact CD2-CG 4.47Å; L214-K237 HydrophobicContact CD1-CB 4.11Å; L214-M240 HydrophobicContact CD1-CE 4.43Å; L214-M240 HydrophobicContact CD2-CE 4.14Å; L214-P253 HydrophobicContact CD1-CB 4.24Å; L214-P253 HydrophobicContact CG-CB 4.39Å; L214-R254 PolarHBondContact N-O 3.38Å; L214-I255 HydrophobicContact CB-CG1 4.29Å; L214-I255 HydrophobicContact CD1-CG1 4.42Å; L214-I255 WeakPolarHBondContact O-CA 3.43Å; L214-L256 PolarHBondContact O-N 3.34Å
215L94.9Very high81Confident0 Ų038.1 Ų38.10%020%0.202CC..EExtended strand (participates in β ladder)trans-138.1159.3174.772.274.6000113.5L153 I154 D155 A156 I167 L256 M260L153-L215 HydrophobicContact CD1-CD2 4.07Å; I154-L215 PolarHBondContact O-N 2.92Å; D155-L215 HydrophobicContact CB-CD1 3.94Å; D155-L215 HydrophobicContact CB-CG 4.41Å; D155-L215 WeakPolarHBondContact OD1-CD1 3.25Å; A156-L215 WeakPolarHBondContact CB-O 3.28Å; A156-L215 PolarHBondContact N-O 3Å; I167-L215 HydrophobicContact CD1-CD2 3.8Å; L215-L256 HydrophobicContact CB-CB 3.74Å; L215-L256 HydrophobicContact CB-CD2 3.8Å; L215-L256 HydrophobicContact CB-CG 4.38Å; L215-L256 HydrophobicContact CD2-CD2 3.67Å; L215-L256 HydrophobicContact CG-CD2 4.39Å; L215-M260 HydrophobicContact CD1-CB 4.14Å; L215-M260 HydrophobicContact CD2-SD 4.48Å
216D92.7Very high79.3Confident26 Ų2641.1 Ų41.114%0.13922%0.222CC..  trans-133.6-169.7162.266.651.4000109.8R157 N218 G219 H231 L233 G259 M260R157-D216 HydrophobicContact CG-CB 4.48Å; D216-N218 PolarHBondContact OD1-N 3.28Å; D216-G219 WeakPolarHBondContact OD1-CA 3.4Å; D216-G219 PolarHBondContact OD1-N 3.46Å; D216-H231 IonicContact OD2-CE1 2.66Å; D216-H231 PolarHBondContact OD2-CE1 2.95Å; D216-L233 HydrophobicContact CB-CD1 4.44Å; D216-L233 WeakPolarHBondContact OD2-CD1 3.33Å; D216-G259 WeakPolarHBondContact O-CA 3.3Å; D216-M260 WeakPolarHBondContact O-CB 3.46Å; D216-M260 PolarHBondContact O-N 3.02Å
217E92Very high78.1Confident31 Ų3140.9 Ų40.915%0.14522%0.222CC..SBendtrans-71.5-39.7-174.2-174.663.6-16400113.4R157 M260 K261 R264R157-E217 WeakPolarHBondContact CD-OE2 3.46Å; R157-E217 HydrophobicContact CG-CB 4.02Å; R157-E217 IonicContact CZ-OE2 3.67Å; R157-E217 IonicContact NE-OE2 3.25Å; R157-E217 IonicContact NH1-OE2 2.76Å; R157-E217 PolarHBondContact NH1-OE2 2.89Å; E217-M260 PolarHBondContact O-N 2.92Å; E217-K261 WeakPolarHBondContact O-CB 3.35Å; E217-K261 PolarHBondContact O-N 3.37Å; E217-R264 IonicContact OE1-CZ 3.68Å; E217-R264 IonicContact OE1-NH1 3.39Å; E217-R264 PolarHBondContact OE1-NH1 3.07Å; E217-R264 IonicContact OE1-NH2 3.97Å; E217-R264 PolarHBondContact OE1-NH2 2.91Å; E217-R264 IonicContact OE2-NH1 2.93Å
218N81.9Confident77.4Confident95 Ų9544.3 Ų44.351%0.50824%0.238SC..SBendtrans-108.2-21.4-172.1-63.6-74.7000113.3D216 K258D216-N218 PolarHBondContact OD1-N 3.28Å; N218-K258 CarbonylContact O-C 3.56Å; N218-K258 VanDerWaalsContact O-C 3.31Å
219G75Confident76.8Confident15 Ų1546.6 Ų46.616%0.15525%0.248CC..  trans53.8-138.6-174.500000112.2D216D216-G219 WeakPolarHBondContact OD1-CA 3.4Å; D216-G219 PolarHBondContact OD1-N 3.46Å
220F69.8Low76.3Confident33 Ų3349 Ų4915%0.14526%0.261CS..  trans-132.1139.9-180-61.8-89.3000110.1W135 S225 L227 H231 I255 F257 K258W135-F220 HydrophobicContact CH2-CB 3.95Å; W135-F220 AromaticContact CH2-CD2 3.63Å; W135-F220 HydrophobicContact CH2-CD2 3.63Å; W135-F220 HydrophobicContact CH2-CE2 4.35Å; W135-F220 AromaticContact CH2-CG 3.79Å; W135-F220 HydrophobicContact CH2-CG 3.79Å; W135-F220 HydrophobicContact CZ3-CB 4.19Å; W135-F220 AromaticContact CZ3-CD2 3.62Å; W135-F220 HydrophobicContact CZ3-CD2 3.62Å; W135-F220 HydrophobicContact CZ3-CE2 4.42Å; W135-F220 HydrophobicContact CZ3-CG 4.14Å; F220-S225 WeakPolarHBondContact CB-OG 3.19Å; F220-S225 VanDerWaalsContact CD1-CB 3.49Å; F220-S225 WeakPolarHBondContact CD1-OG 3.31Å; F220-S225 WeakPolarHBondContact CG-OG 3.28Å; F220-L227 HydrophobicContact CE1-CG 4.1Å; F220-L227 HydrophobicContact CE2-CD1 4.3Å; F220-L227 HydrophobicContact CE2-CD2 3.73Å; F220-L227 HydrophobicContact CE2-CG 3.92Å; F220-L227 HydrophobicContact CZ-CD1 4.32Å; F220-L227 HydrophobicContact CZ-CD2 3.55Å; F220-L227 HydrophobicContact CZ-CG 3.53Å; F220-H231 AromaticContact CZ-CE1 3.53Å; F220-H231 AromaticContact CZ-ND1 3.71Å; F220-H231 AromaticContact CZ-NE2 3.85Å; F220-I255 HydrophobicContact CD2-CG2 4.4Å; F220-I255 HydrophobicContact CE2-CG2 4.4Å; F220-F257 VanDerWaalsContact O-CD2 3.28Å; F220-F257 WeakPolarHBondContact O-CD2 3.41Å; F220-F257 WeakPolarHBondContact O-CE2 3.32Å; F220-K258 WeakPolarHBondContact O-CG 3.38Å; F220-K258 PolarHBondContact O-N 2.94Å; F220-K258 VanDerWaalsContact O-N 3.09Å
221D61.6Low76.2Confident122 Ų12248.2 Ų48.265%0.65226%0.255SS*.SBendtrans-83.3-14.8-177.3-80.3-57.4000114.6F257 K258 E675D221-F257 VanDerWaalsContact O-CZ 3.31Å; D221-F257 WeakPolarHBondContact O-CZ 3.2Å; D221-K258 VanDerWaalsContact CA-CE 3.44Å; D221-K258 WeakPolarHBondContact O-CE 3.46Å; D221-K258 PolarHBondContact O-NZ 2.91Å; D221-K258 WeakPolarHBondContact OD1-CE 3.03Å; D221-E675 WeakPolarHBondContact O-CG 3.47Å
222S55.8Low76.1Confident36 Ų3649 Ų4925%0.25226%0.261SS..SBendtrans-134.3141.2177.266.30000114.1Q224 S225 E675S222-Q224 PolarHBondContact O-N 3.1Å; S222-S225 PolarHBondContact O-N 2.81Å; S222-S225 PolarHBondContact O-OG 3.3Å; S222-E675 WeakPolarHBondContact CA-OE2 3.17Å; S222-E675 VanDerWaalsContact CB-OE2 3.25Å; S222-E675 WeakPolarHBondContact CB-OE2 3.31Å
223D52.9Low76Confident40 Ų4048.9 Ų48.921%0.21426%0.261CS..THydrogen-bonded Turntrans-68.69.7-173.1-90.1-16.8000113.1W135 Q137 F257 E675W135-D223 VanDerWaalsContact NE1-C 3.28Å; W135-D223 PolarHBondContact NE1-O 3.39Å; Q137-D223 PolarHBondContact NE2-OD1 2.91Å; Q137-D223 PolarHBondContact NE2-OD2 2.83Å; Q137-D223 VanDerWaalsContact NE2-OD2 3.11Å; D223-F257 VanDerWaalsContact OD1-CD2 3.26Å; D223-F257 WeakPolarHBondContact OD1-CD2 3.23Å; D223-F257 WeakPolarHBondContact OD1-CE2 3.08Å; D223-E675 PolarHBondContact N-OE2 3.31Å
224Q46.8Very low75.7Confident58 Ų5850 Ų5027%0.27127%0.266SS..THydrogen-bonded Turntrans-138.314.2-172.6-55.4-170-17.600113.4S222 V226 M667 Y670 T671S222-Q224 PolarHBondContact O-N 3.1Å; Q224-V226 PolarHBondContact O-N 3.47Å; Q224-M667 PolarHBondContact OE1-O 2.81Å; Q224-Y670 VanDerWaalsContact NE2-CB 3.31Å; Q224-Y670 PolarHBondContact NE2-O 3.01Å; Q224-T671 HydrophobicContact CB-CG2 3.72Å; Q224-T671 HydrophobicContact CG-CG2 3.83Å
225S52.1Low75.4Confident25 Ų2550.8 Ų50.818%0.17527%0.27CS..  trans-59.586.5159.246.90000109.8W135 F220 S222 L227W135-S225 VanDerWaalsContact CH2-OG 3.25Å; W135-S225 WeakPolarHBondContact CH2-OG 3.3Å; W135-S225 VanDerWaalsContact CZ2-OG 3.31Å; W135-S225 WeakPolarHBondContact CZ2-OG 3.3Å; F220-S225 WeakPolarHBondContact CB-OG 3.19Å; F220-S225 VanDerWaalsContact CD1-CB 3.49Å; F220-S225 WeakPolarHBondContact CD1-OG 3.31Å; F220-S225 WeakPolarHBondContact CG-OG 3.28Å; S222-S225 PolarHBondContact O-N 2.81Å; S222-S225 PolarHBondContact O-OG 3.3Å; S225-L227 PolarHBondContact O-N 2.81Å
226V57.5Low75.2Confident108 Ų10850.9 Ų50.966%0.65527%0.27SS*.  trans-57.7105.6165.4175.90000106.4Q224 N228 M667Q224-V226 PolarHBondContact O-N 3.47Å; V226-N228 PolarHBondContact O-N 3.34Å; V226-M667 HydrophobicContact CB-CE 3.81Å; V226-M667 HydrophobicContact CB-SD 4.38Å; V226-M667 HydrophobicContact CG2-CE 3.66Å; V226-M667 HydrophobicContact CG2-SD 4.3Å
227L67.5Low75.1Confident7 Ų749.7 Ų49.74%0.03726%0.264CS..  trans-57.1131.2-174-78.587.9000109.3F134 W135 F220 S225 K229 H231 L233 Q234 I255F134-L227 HydrophobicContact CE1-CD1 3.65Å; F134-L227 HydrophobicContact CZ-CD1 3.79Å; W135-L227 HydrophobicContact CH2-CD1 3.8Å; W135-L227 HydrophobicContact CZ2-CD1 4.33Å; F220-L227 HydrophobicContact CE1-CG 4.1Å; F220-L227 HydrophobicContact CE2-CD1 4.3Å; F220-L227 HydrophobicContact CE2-CD2 3.73Å; F220-L227 HydrophobicContact CE2-CG 3.92Å; F220-L227 HydrophobicContact CZ-CD1 4.32Å; F220-L227 HydrophobicContact CZ-CD2 3.55Å; F220-L227 HydrophobicContact CZ-CG 3.53Å; S225-L227 PolarHBondContact O-N 2.81Å; L227-K229 PolarHBondContact O-N 2.8Å; L227-H231 HydrophobicContact CB-CB 4.42Å; L227-H231 HydrophobicContact CD2-CB 4.16Å; L227-L233 HydrophobicContact CD2-CB 3.96Å; L227-Q234 HydrophobicContact CB-CB 3.72Å; L227-Q234 HydrophobicContact CB-CG 4.07Å; L227-Q234 HydrophobicContact CD2-CB 3.96Å; L227-Q234 HydrophobicContact CG-CB 4.48Å; L227-I255 HydrophobicContact CD1-CD1 3.61Å; L227-I255 HydrophobicContact CD2-CD1 3.62Å; L227-I255 HydrophobicContact CG-CD1 4.3Å
228N74.7Confident75Confident103 Ų10349.8 Ų49.855%0.55127%0.265SS*.  trans-50.4133.1168.8-177.3-20.2000108.2V226 N230 H231V226-N228 PolarHBondContact O-N 3.34Å; N228-N230 PolarHBondContact O-N 2.97Å; N228-N230 WeakPolarHBondContact OD1-CB 3.41Å; N228-N230 VanDerWaalsContact OD1-CG 3.3Å; N228-N230 PolarHBondContact OD1-N 3.18Å; N228-H231 VanDerWaalsContact O-CB 3.29Å; N228-H231 WeakPolarHBondContact O-CB 3.44Å; N228-H231 PolarHBondContact O-N 3.29Å
229K78.7Confident75.3Confident175 Ų17545.4 Ų45.476%0.76124%0.242SC*.THydrogen-bonded Turntrans-59-5.5178.1-59.7-175.3-179.6-177.10113.6L227L227-K229 PolarHBondContact O-N 2.8Å
230N81.9Confident76.1Confident71 Ų7144.9 Ų44.938%0.3824%0.236SC..THydrogen-bonded Turntrans-101.8-4.8175.7-52.9-8.1000113.7R182 N228 I235R182-N230 PolarHBondContact NE-OD1 2.87Å; R182-N230 PolarHBondContact NH2-OD1 2.86Å; N228-N230 PolarHBondContact O-N 2.97Å; N228-N230 WeakPolarHBondContact OD1-CB 3.41Å; N228-N230 VanDerWaalsContact OD1-CG 3.3Å; N228-N230 PolarHBondContact OD1-N 3.18Å; N230-I235 WeakPolarHBondContact O-CD1 3.24Å
231H87.1Confident76.9Confident51 Ų5146.9 Ų46.924%0.23625%0.247CC..SBendtrans-73.9137.3-176.7-162.1-99.2000110.5D216 F220 L227 N228 L233 Q234 I235D216-H231 IonicContact OD2-CE1 2.66Å; D216-H231 PolarHBondContact OD2-CE1 2.95Å; F220-H231 AromaticContact CZ-CE1 3.53Å; F220-H231 AromaticContact CZ-ND1 3.71Å; F220-H231 AromaticContact CZ-NE2 3.85Å; L227-H231 HydrophobicContact CB-CB 4.42Å; L227-H231 HydrophobicContact CD2-CB 4.16Å; N228-H231 VanDerWaalsContact O-CB 3.29Å; N228-H231 WeakPolarHBondContact O-CB 3.44Å; N228-H231 PolarHBondContact O-N 3.29Å; H231-L233 VanDerWaalsContact C-N 3.33Å; H231-L233 PolarHBondContact O-N 2.69Å; H231-Q234 HydrophobicContact CB-CB 4.28Å; H231-Q234 PolarHBondContact O-N 3.13Å; H231-I235 WeakPolarHBondContact O-CG1 3.46Å; H231-I235 PolarHBondContact O-N 2.85Å
232P89.5Confident77.9Confident30 Ų3047 Ų4720%0.19524%0.242CC..Hα-helixtrans-49.4-50.2-179.5-31.437.2000113.3I180 Q234 I235 L236I180-P232 HydrophobicContact CB-CB 4.13Å; I180-P232 HydrophobicContact CD1-CB 4.27Å; I180-P232 HydrophobicContact CG2-CB 4.14Å; I180-P232 VanDerWaalsContact CG2-O 3.32Å; I180-P232 WeakPolarHBondContact CG2-O 3.25Å; P232-Q234 VanDerWaalsContact C-N 3.28Å; P232-Q234 PolarHBondContact O-N 2.93Å; P232-I235 PolarHBondContact O-N 2.96Å; P232-L236 WeakPolarHBondContact O-CB 3.47Å; P232-L236 PolarHBondContact O-N 2.67Å
233L92.2Very high78.9Confident1 Ų154.1 Ų54.11%0.00526%0.264CS..Hα-helixtrans-62.7-32.4-179.9-53.2-170.8000113.3A156 L214 D216 L227 H231 K237 I255A156-L233 HydrophobicContact CB-CD2 3.47Å; A156-L233 VanDerWaalsContact CB-CD2 3.47Å; L214-L233 HydrophobicContact CB-CD2 4.27Å; D216-L233 HydrophobicContact CB-CD1 4.44Å; D216-L233 WeakPolarHBondContact OD2-CD1 3.33Å; L227-L233 HydrophobicContact CD2-CB 3.96Å; H231-L233 VanDerWaalsContact C-N 3.33Å; H231-L233 PolarHBondContact O-N 2.69Å; L233-K237 WeakPolarHBondContact O-CB 3.43Å; L233-K237 PolarHBondContact O-N 2.8Å; L233-I255 HydrophobicContact CB-CD1 4.1Å; L233-I255 HydrophobicContact CD1-CG2 3.69Å
234Q89.3Confident80.5Confident24 Ų2453.3 Ų53.311%0.11226%0.259CS..Hα-helixtrans-78.1-35.3176.5-169.259.255.100112.4L227 H231 P232 L236 K237 D238L227-Q234 HydrophobicContact CB-CB 3.72Å; L227-Q234 HydrophobicContact CB-CG 4.07Å; L227-Q234 HydrophobicContact CD2-CB 3.96Å; L227-Q234 HydrophobicContact CG-CB 4.48Å; H231-Q234 HydrophobicContact CB-CB 4.28Å; H231-Q234 PolarHBondContact O-N 3.13Å; P232-Q234 VanDerWaalsContact C-N 3.28Å; P232-Q234 PolarHBondContact O-N 2.93Å; Q234-L236 VanDerWaalsContact C-N 3.34Å; Q234-K237 PolarHBondContact O-N 3.01Å; Q234-D238 PolarHBondContact NE2-OD1 2.59Å; Q234-D238 VanDerWaalsContact O-CB 3.25Å; Q234-D238 WeakPolarHBondContact O-CB 3.37Å; Q234-D238 PolarHBondContact O-N 2.58Å
235I90.1Very high81.8Confident16 Ų1655.6 Ų55.68%0.08229%0.288CS..Hα-helixtrans-63.1-44.6172.8-68.7165.1000109.7I180 K181 R182 N230 H231 P232 D238 A239I180-I235 HydrophobicContact CG2-CB 3.84Å; I180-I235 HydrophobicContact CG2-CG2 3.67Å; K181-I235 WeakPolarHBondContact O-CG2 3.47Å; R182-I235 HydrophobicContact CG-CD1 4.48Å; N230-I235 WeakPolarHBondContact O-CD1 3.24Å; H231-I235 WeakPolarHBondContact O-CG1 3.46Å; H231-I235 PolarHBondContact O-N 2.85Å; P232-I235 PolarHBondContact O-N 2.96Å; I235-D238 PolarHBondContact O-N 2.81Å; I235-A239 WeakPolarHBondContact O-CB 3.44Å; I235-A239 PolarHBondContact O-N 3.07Å
236L91.1Very high83.1Confident1 Ų161.5 Ų61.51%0.00531%0.313CS..Hα-helixtrans-63.5-44.9176.8179.158.1000112I154 L175 I180 I189 W203 L214 P232 Q234 A239 M240I154-L236 HydrophobicContact CG2-CD2 3.96Å; L175-L236 HydrophobicContact CD2-CD1 3.75Å; L175-L236 HydrophobicContact CD2-CD2 4.26Å; I180-L236 HydrophobicContact CD1-CB 4.49Å; I180-L236 HydrophobicContact CD1-CD2 4.24Å; I180-L236 HydrophobicContact CG2-CB 4.37Å; I189-L236 HydrophobicContact CD1-CD1 3.62Å; W203-L236 HydrophobicContact CH2-CD1 4.06Å; W203-L236 HydrophobicContact CZ3-CD1 4.31Å; L214-L236 HydrophobicContact CD1-CD2 4.38Å; L214-L236 HydrophobicContact CD1-CG 4.44Å; L214-L236 HydrophobicContact CD2-CD2 3.94Å; L214-L236 HydrophobicContact CD2-CG 4.47Å; P232-L236 WeakPolarHBondContact O-CB 3.47Å; P232-L236 PolarHBondContact O-N 2.67Å; Q234-L236 VanDerWaalsContact C-N 3.34Å; L236-A239 PolarHBondContact O-N 3.08Å; L236-M240 HydrophobicContact CD1-CE 4.31Å; L236-M240 HydrophobicContact CG-CE 4.07Å; L236-M240 PolarHBondContact O-N 3.11Å
237K90.9Very high84.2Confident2 Ų258.4 Ų58.41%0.00929%0.292CS..Hα-helixtrans-63.9-42.6174.9-176.9163.1177.9163.90112.2F134 L214 L233 Q234 M240 L241 E252 P253F134-K237 HydrophobicContact CE2-CD 4.35Å; F134-K237 HydrophobicContact CZ-CD 4.47Å; L214-K237 HydrophobicContact CD1-CB 4.11Å; L233-K237 WeakPolarHBondContact O-CB 3.43Å; L233-K237 PolarHBondContact O-N 2.8Å; Q234-K237 PolarHBondContact O-N 3.01Å; K237-M240 PolarHBondContact O-N 3.39Å; K237-L241 HydrophobicContact CD-CD1 4.43Å; K237-L241 HydrophobicContact CG-CD1 3.65Å; K237-L241 HydrophobicContact CG-CG 4.48Å; K237-L241 WeakPolarHBondContact O-CB 3.5Å; K237-L241 WeakPolarHBondContact O-CG 3.36Å; K237-L241 PolarHBondContact O-N 2.9Å; K237-E252 WeakPolarHBondContact CE-OE1 3.23Å; K237-E252 IonicContact NZ-OE1 3.37Å; K237-E252 PolarHBondContact NZ-OE1 2.96Å; K237-P253 WeakPolarHBondContact CD-O 3.35Å; K237-P253 WeakPolarHBondContact CE-O 3.26Å; K237-P253 PolarHBondContact NZ-O 3.24Å
238D88.5Confident84.9Confident33 Ų3364.2 Ų64.218%0.17633%0.327CS..Hα-helixtrans-64-41.1174.1-87.328.9000111.8Q234 I235 M240 L241 K242 W243Q234-D238 PolarHBondContact NE2-OD1 2.59Å; Q234-D238 VanDerWaalsContact O-CB 3.25Å; Q234-D238 WeakPolarHBondContact O-CB 3.37Å; Q234-D238 PolarHBondContact O-N 2.58Å; I235-D238 PolarHBondContact O-N 2.81Å; D238-M240 PolarHBondContact O-N 3.36Å; D238-L241 PolarHBondContact O-N 3.44Å; D238-K242 HydrophobicContact CB-CD 4.1Å; D238-K242 WeakPolarHBondContact O-CB 3.31Å; D238-K242 PolarHBondContact O-N 2.93Å; D238-K242 IonicContact OD1-NZ 3.92Å; D238-K242 PolarHBondContact OD1-NZ 3.48Å; D238-K242 WeakPolarHBondContact OD2-CD 3.21Å; D238-K242 IonicContact OD2-NZ 3.09Å; D238-K242 PolarHBondContact OD2-NZ 3.42Å; D238-W243 VanDerWaalsContact O-CD1 3.28Å
239A89.6Confident85.5Confident2 Ų260.9 Ų60.92%0.01731%0.309CS..Hα-helixtrans-57-47.817700000111.6V186 I235 L236 W243 D244V186-A239 HydrophobicContact CG1-CB 4.15Å; V186-A239 WeakPolarHBondContact CG1-O 3.45Å; I235-A239 WeakPolarHBondContact O-CB 3.44Å; I235-A239 PolarHBondContact O-N 3.07Å; L236-A239 PolarHBondContact O-N 3.08Å; A239-W243 CarbonylContact O-C 3.47Å; A239-W243 PolarHBondContact O-N 2.95Å; A239-D244 PolarHBondContact O-N 2.79Å
240M90.1Very high85.7Confident4 Ų456.8 Ų56.82%0.0230%0.299CS..Hα-helixtrans-76.6-26.2-179.2-64.6-176.9-64.700114.6I154 V186 W203 I212 L214 L236 K237 D238 D244 L249 P253I154-M240 HydrophobicContact CD1-SD 4.5Å; V186-M240 HydrophobicContact CG1-CG 4.23Å; W203-M240 HydrophobicContact CH2-CG 3.83Å; W203-M240 HydrophobicContact CH2-SD 3.77Å; W203-M240 HydrophobicContact CZ3-CG 4.47Å; W203-M240 HydrophobicContact CZ3-SD 3.8Å; I212-M240 HydrophobicContact CG2-CE 4.47Å; L214-M240 HydrophobicContact CD1-CE 4.43Å; L214-M240 HydrophobicContact CD2-CE 4.14Å; L236-M240 HydrophobicContact CD1-CE 4.31Å; L236-M240 HydrophobicContact CG-CE 4.07Å; L236-M240 PolarHBondContact O-N 3.11Å; K237-M240 PolarHBondContact O-N 3.39Å; D238-M240 PolarHBondContact O-N 3.36Å; M240-D244 WeakPolarHBondContact O-CB 3.28Å; M240-L249 HydrophobicContact CB-CD1 4.3Å; M240-P253 HydrophobicContact CE-CB 4.13Å; M240-P253 HydrophobicContact CE-CG 3.9Å
241L87.1Confident85.9Confident75 Ų7555.4 Ų55.439%0.39330%0.297SS..Hα-helixtrans-98.2-25.2-176.5-69.4175.2000114.7K237 D238 L249 E252K237-L241 HydrophobicContact CD-CD1 4.43Å; K237-L241 HydrophobicContact CG-CD1 3.65Å; K237-L241 HydrophobicContact CG-CG 4.48Å; K237-L241 WeakPolarHBondContact O-CB 3.5Å; K237-L241 WeakPolarHBondContact O-CG 3.36Å; K237-L241 PolarHBondContact O-N 2.9Å; D238-L241 PolarHBondContact O-N 3.44Å; L241-L249 HydrophobicContact CD2-CD1 4.37Å; L241-E252 HydrophobicContact CD1-CG 3.67Å; L241-E252 HydrophobicContact CD2-CG 4.38Å
242K82.9Confident86.1Confident126 Ų12656.8 Ų56.855%0.54830%0.304SS..Hα-helixtrans-120.4-18.6-171.8-62.9161.7177.8155.70113.5D238D238-K242 HydrophobicContact CB-CD 4.1Å; D238-K242 WeakPolarHBondContact O-CB 3.31Å; D238-K242 PolarHBondContact O-N 2.93Å; D238-K242 IonicContact OD1-NZ 3.92Å; D238-K242 PolarHBondContact OD1-NZ 3.48Å; D238-K242 WeakPolarHBondContact OD2-CD 3.21Å; D238-K242 IonicContact OD2-NZ 3.09Å; D238-K242 PolarHBondContact OD2-NZ 3.42Å
243W77.6Confident86.2Confident184 Ų18455.4 Ų55.470%0.69730%0.295SS*.SBendtrans-131.115.9-170.7-50108000113.2D238 A239D238-W243 VanDerWaalsContact O-CD1 3.28Å; A239-W243 CarbonylContact O-C 3.47Å; A239-W243 PolarHBondContact O-N 2.95Å
244D84.5Confident86.2Confident23 Ų2356.9 Ų56.912%0.12330%0.3CS..  trans-119.998.4177.6-168.3-14.1000109.1V186 R206 A239 M240 E246 Q247V186-D244 HydrophobicContact CG1-CB 3.91Å; V186-D244 HydrophobicContact CG2-CB 4.07Å; R206-D244 IonicContact CZ-OD2 2.69Å; R206-D244 IonicContact NE-OD2 2.61Å; R206-D244 PolarHBondContact NE-OD2 3.34Å; R206-D244 IonicContact NH2-OD1 2.73Å; R206-D244 PolarHBondContact NH2-OD1 3.04Å; R206-D244 IonicContact NH2-OD2 3.81Å; R206-D244 PolarHBondContact NH2-OD2 3.41Å; A239-D244 PolarHBondContact O-N 2.79Å; M240-D244 WeakPolarHBondContact O-CB 3.28Å; D244-E246 PolarHBondContact OD1-N 2.92Å; D244-Q247 PolarHBondContact OD1-N 3.36Å; D244-Q247 VanDerWaalsContact OD1-N 3.08Å
245A74.6Confident86.4Confident106 Ų10655.7 Ų55.788%0.87630%0.295SS*.SBendtrans-88.9-5.618000000113.1
246E80.1Confident86.5Confident150 Ų15055 Ų5570%0.70129%0.291SS*.SBendtrans-103.8-29.6-171.6-63.8-175.8-179.400112.9D244D244-E246 PolarHBondContact OD1-N 2.92Å
247Q81.1Confident86.4Confident43 Ų4355.3 Ų55.320%0.20129%0.292CS..  trans-117.491.3-175.7-60.3-60-47.200112R206 S207 D244 L249R206-Q247 HydrophobicContact CG-CB 4.13Å; R206-Q247 HydrophobicContact CG-CG 4.28Å; R206-Q247 VanDerWaalsContact CZ-CG 3.5Å; S207-Q247 VanDerWaalsContact CB-OE1 3.28Å; S207-Q247 PolarHBondContact OG-OE1 2.95Å; D244-Q247 PolarHBondContact OD1-N 3.36Å; D244-Q247 VanDerWaalsContact OD1-N 3.08Å; Q247-L249 PolarHBondContact O-N 2.68Å
248V82.1Confident86Confident128 Ų12857.5 Ų57.578%0.77630%0.302SS*.  trans-66.9122.4170.8-176.10000109.4S207S207-V248 VanDerWaalsContact CB-O 3.23Å; S207-V248 WeakPolarHBondContact CB-O 3.5Å
249L87.3Confident86.2Confident33 Ų3355.9 Ų55.917%0.17329%0.293CS..  trans-87.1149.5177.7-57.1-175.4000111.7R206 I212 M240 L241 Q247 P253R206-L249 HydrophobicContact CG-CD2 4.2Å; I212-L249 HydrophobicContact CD1-CD1 4.03Å; I212-L249 HydrophobicContact CD1-CD2 3.72Å; I212-L249 HydrophobicContact CD1-CG 4.49Å; M240-L249 HydrophobicContact CB-CD1 4.3Å; L241-L249 HydrophobicContact CD2-CD1 4.37Å; Q247-L249 PolarHBondContact O-N 2.68Å; L249-P253 HydrophobicContact CD1-CG 3.64Å
250T82.6Confident86.3Confident89 Ų8955.8 Ų55.855%0.54629%0.293SS..SBendtrans-72.4-30.7175.752.20000113.3F209 D210F209-T250 PolarHBondContact O-OG1 2.89Å; D210-T250 VanDerWaalsContact C-OG1 3.31Å; D210-T250 PolarHBondContact O-OG1 3.33Å
251A86.5Confident86.2Confident43 Ų4360.8 Ų60.836%0.35531%0.314SS..SBendtrans-146.1162.2-175.700000110.6
252E89.4Confident86.3Confident80 Ų8058.4 Ų58.437%0.37430%0.302SS..PPolyproline II helixtrans-73.5127.2173.9-165-174.712800110.2K237 L241 R254K237-E252 WeakPolarHBondContact CE-OE1 3.23Å; K237-E252 IonicContact NZ-OE1 3.37Å; K237-E252 PolarHBondContact NZ-OE1 2.96Å; L241-E252 HydrophobicContact CD1-CG 3.67Å; L241-E252 HydrophobicContact CD2-CG 4.38Å; E252-R254 WeakPolarHBondContact O-CG 3.35Å; E252-R254 PolarHBondContact O-N 2.7Å
253P92.4Very high86.7Confident0 Ų052.4 Ų52.40%028%0.276CS..PPolyproline II helixtrans-56.1126.5-179.6-29.335.8000113.2I212 L214 K237 M240 L249I212-P253 HydrophobicContact CB-CB 4.14Å; I212-P253 HydrophobicContact CB-CG 4.24Å; I212-P253 HydrophobicContact CG2-CB 4.23Å; I212-P253 CarbonylContact O-C 3.43Å; I212-P253 VanDerWaalsContact O-CA 3.22Å; I212-P253 WeakPolarHBondContact O-CA 3.48Å; L214-P253 HydrophobicContact CD1-CB 4.24Å; L214-P253 HydrophobicContact CG-CB 4.39Å; K237-P253 WeakPolarHBondContact CD-O 3.35Å; K237-P253 WeakPolarHBondContact CE-O 3.26Å; K237-P253 PolarHBondContact NZ-O 3.24Å; M240-P253 HydrophobicContact CE-CB 4.13Å; M240-P253 HydrophobicContact CE-CG 3.9Å; L249-P253 HydrophobicContact CD1-CG 3.64Å
254R93.1Very high87.3Confident32 Ų3247.3 Ų47.312%0.12126%0.257CS..EExtended strand (participates in β ladder)trans-95.6151.8-174.9-53.5-157.4-71152.1-15.5111.4S133 F134 W135 I136 E140 D211 I212 I213 L214 E252S133-R254 WeakPolarHBondContact O-CD 3.45Å; S133-R254 VanDerWaalsContact O-CG 3.32Å; S133-R254 WeakPolarHBondContact O-CG 3Å; F134-R254 WeakPolarHBondContact O-CA 3.33Å; W135-R254 PolarHBondContact O-NH1 2.85Å; I136-R254 HydrophobicContact CB-CB 4.34Å; I136-R254 HydrophobicContact CG2-CB 4.45Å; E140-R254 VanDerWaalsContact CD-NH1 3.3Å; E140-R254 IonicContact OE1-CZ 2.69Å; E140-R254 VanDerWaalsContact OE1-CZ 3.23Å; E140-R254 IonicContact OE1-NH1 3.83Å; E140-R254 PolarHBondContact OE1-NH1 3.41Å; E140-R254 IonicContact OE1-NH2 2.71Å; E140-R254 PolarHBondContact OE1-NH2 3.03Å; E140-R254 IonicContact OE2-NH1 3.34Å; E140-R254 PolarHBondContact OE2-NH1 3.41Å; E140-R254 VanDerWaalsContact OE2-NH1 3.09Å; D211-R254 IonicContact OD1-NE 2.93Å; D211-R254 IonicContact OD2-CZ 3.16Å; D211-R254 VanDerWaalsContact OD2-CZ 3.25Å; D211-R254 IonicContact OD2-NE 3.1Å; D211-R254 PolarHBondContact OD2-NE 3.32Å; D211-R254 IonicContact OD2-NH2 2.74Å; D211-R254 PolarHBondContact OD2-NH2 3.18Å; I212-R254 PolarHBondContact O-N 3Å; I213-R254 CarbonylContact C-O 3.55Å; I213-R254 WeakPolarHBondContact CA-O 3.02Å; I213-R254 HydrophobicContact CG1-CB 4.48Å; L214-R254 PolarHBondContact N-O 3.38Å; E252-R254 WeakPolarHBondContact O-CG 3.35Å; E252-R254 PolarHBondContact O-N 2.7Å
255I92.7Very high87.1Confident0 Ų053.2 Ų53.20%029%0.285CS..EExtended strand (participates in β ladder)trans-108.3134.5179.4-61.8173.9000109.9F134 W135 I136 L214 F220 L227 L233 F257F134-I255 HydrophobicContact CE1-CD1 4.02Å; F134-I255 HydrophobicContact CZ-CD1 4.24Å; F134-I255 PolarHBondContact O-N 3.27Å; W135-I255 HydrophobicContact CE3-CB 3.79Å; W135-I255 HydrophobicContact CE3-CG2 3.98Å; W135-I255 HydrophobicContact CZ3-CB 3.75Å; W135-I255 HydrophobicContact CZ3-CG2 3.56Å; I136-I255 PolarHBondContact N-O 2.91Å; L214-I255 HydrophobicContact CB-CG1 4.29Å; L214-I255 HydrophobicContact CD1-CG1 4.42Å; L214-I255 WeakPolarHBondContact O-CA 3.43Å; F220-I255 HydrophobicContact CD2-CG2 4.4Å; F220-I255 HydrophobicContact CE2-CG2 4.4Å; L227-I255 HydrophobicContact CD1-CD1 3.61Å; L227-I255 HydrophobicContact CD2-CD1 3.62Å; L227-I255 HydrophobicContact CG-CD1 4.3Å; L233-I255 HydrophobicContact CB-CD1 4.1Å; L233-I255 HydrophobicContact CD1-CG2 3.69Å; I255-F257 PolarHBondContact O-N 3.31Å
256L92.9Very high87.6Confident0 Ų055.1 Ų55.10%027%0.27CS..EExtended strand (participates in β ladder)trans-67.3115175.6176.258.4000110.4I136 L141 L214 L215 G259 F263I136-L256 HydrophobicContact CG2-CB 4.33Å; I136-L256 HydrophobicContact CG2-CD1 4.42Å; L141-L256 HydrophobicContact CB-CD1 4.28Å; L141-L256 HydrophobicContact CD2-CD1 3.71Å; L141-L256 HydrophobicContact CD2-CD2 3.74Å; L141-L256 HydrophobicContact CD2-CG 4.24Å; L214-L256 PolarHBondContact O-N 3.34Å; L215-L256 HydrophobicContact CB-CB 3.74Å; L215-L256 HydrophobicContact CB-CD2 3.8Å; L215-L256 HydrophobicContact CB-CG 4.38Å; L215-L256 HydrophobicContact CD2-CD2 3.67Å; L215-L256 HydrophobicContact CG-CD2 4.39Å; L256-G259 PolarHBondContact O-N 3.07Å; L256-F263 HydrophobicContact CD2-CB 4.35Å
257F87.9Confident88.1Confident8 Ų850.8 Ų50.84%0.03525%0.247CC..THydrogen-bonded Turntrans-61.5136.5174.7-167.3-125000111.2W135 I136 F220 D221 D223 I255 G259W135-F257 HydrophobicContact CE3-CD2 4.49Å; I136-F257 PolarHBondContact O-N 3.2Å; F220-F257 VanDerWaalsContact O-CD2 3.28Å; F220-F257 WeakPolarHBondContact O-CD2 3.41Å; F220-F257 WeakPolarHBondContact O-CE2 3.32Å; D221-F257 VanDerWaalsContact O-CZ 3.31Å; D221-F257 WeakPolarHBondContact O-CZ 3.2Å; D223-F257 VanDerWaalsContact OD1-CD2 3.26Å; D223-F257 WeakPolarHBondContact OD1-CD2 3.23Å; D223-F257 WeakPolarHBondContact OD1-CE2 3.08Å; I255-F257 PolarHBondContact O-N 3.31Å; F257-G259 PolarHBondContact O-N 3.49Å
258K83.8Confident88Confident48 Ų4852.1 Ų52.121%0.20926%0.26CS..THydrogen-bonded Turntrans54.49.5-177.6-63176.4169.9159.10116.9N218 F220 D221 D262N218-K258 CarbonylContact O-C 3.56Å; N218-K258 VanDerWaalsContact O-C 3.31Å; F220-K258 WeakPolarHBondContact O-CG 3.38Å; F220-K258 PolarHBondContact O-N 2.94Å; F220-K258 VanDerWaalsContact O-N 3.09Å; D221-K258 VanDerWaalsContact CA-CE 3.44Å; D221-K258 WeakPolarHBondContact O-CE 3.46Å; D221-K258 PolarHBondContact O-NZ 2.91Å; D221-K258 WeakPolarHBondContact OD1-CE 3.03Å; K258-D262 HydrophobicContact CB-CB 3.42Å; K258-D262 VanDerWaalsContact CB-CB 3.42Å; K258-D262 VanDerWaalsContact O-CB 3.25Å; K258-D262 WeakPolarHBondContact O-CB 3.32Å; K258-D262 PolarHBondContact O-N 3.17Å
259G90.9Very high88.3Confident0 Ų051.8 Ų51.80%026%0.26CS..Hα-helixtrans63-167.1165.800000115.5D216 L256 F257 K261 D262 F263D216-G259 WeakPolarHBondContact O-CA 3.3Å; L256-G259 PolarHBondContact O-N 3.07Å; F257-G259 PolarHBondContact O-N 3.49Å; G259-K261 VanDerWaalsContact C-N 3.29Å; G259-K261 PolarHBondContact O-N 2.59Å; G259-D262 PolarHBondContact O-N 3.46Å; G259-F263 PolarHBondContact O-N 3.48Å; G259-F263 VanDerWaalsContact O-N 3.16Å
260M93.3Very high88.4Confident0 Ų051.9 Ų51.90%026%0.261CS..Hα-helixtrans-65.8-30.2-176.6-171.459.117500112.9I167 L215 D216 E217 F263 R264 L271I167-M260 HydrophobicContact CD1-SD 4.05Å; I167-M260 HydrophobicContact CG1-CE 3.82Å; I167-M260 HydrophobicContact CG1-SD 3.63Å; L215-M260 HydrophobicContact CD1-CB 4.14Å; L215-M260 HydrophobicContact CD2-SD 4.48Å; D216-M260 WeakPolarHBondContact O-CB 3.46Å; D216-M260 PolarHBondContact O-N 3.02Å; E217-M260 PolarHBondContact O-N 2.92Å; M260-F263 PolarHBondContact O-N 3.3Å; M260-F263 HydrophobicContact SD-CB 4.47Å; M260-F263 HydrophobicContact SD-CD1 4.45Å; M260-R264 WeakPolarHBondContact O-CB 3.46Å; M260-R264 PolarHBondContact O-N 2.66Å; M260-L271 HydrophobicContact CE-CD2 3.48Å; M260-L271 VanDerWaalsContact CE-CD2 3.48Å
261K87.7Confident88.8Confident109 Ų10948.8 Ų48.847%0.47424%0.241SC..Hα-helixtrans-62.7-43.8177.3178.6-177.1178.5-171.80112E217 G259 M265E217-K261 WeakPolarHBondContact O-CB 3.35Å; E217-K261 PolarHBondContact O-N 3.37Å; G259-K261 VanDerWaalsContact C-N 3.29Å; G259-K261 PolarHBondContact O-N 2.59Å; K261-M265 VanDerWaalsContact O-CG 3.32Å; K261-M265 WeakPolarHBondContact O-CG 3.48Å; K261-M265 PolarHBondContact O-N 2.74Å
262D88.4Confident88.8Confident25 Ų2550 Ų5013%0.13424%0.241CC..Hα-helixtrans-71.2-43.3175.3-177.488000111.6T138 K258 G259 R264 M265 R266T138-D262 WeakPolarHBondContact CB-OD2 3.41Å; T138-D262 VanDerWaalsContact CG2-OD2 3.25Å; T138-D262 WeakPolarHBondContact CG2-OD2 3.43Å; T138-D262 PolarHBondContact OG1-OD2 3.42Å; K258-D262 HydrophobicContact CB-CB 3.42Å; K258-D262 VanDerWaalsContact CB-CB 3.42Å; K258-D262 VanDerWaalsContact O-CB 3.25Å; K258-D262 WeakPolarHBondContact O-CB 3.32Å; K258-D262 PolarHBondContact O-N 3.17Å; G259-D262 PolarHBondContact O-N 3.46Å; D262-R264 VanDerWaalsContact C-N 3.3Å; D262-R264 PolarHBondContact O-N 3.22Å; D262-M265 PolarHBondContact O-N 3.09Å; D262-M265 VanDerWaalsContact O-N 3.1Å; D262-R266 PolarHBondContact O-N 3.11Å; D262-R266 IonicContact OD1-CZ 3.73Å; D262-R266 VanDerWaalsContact OD1-CZ 3.26Å; D262-R266 IonicContact OD1-NE 2.73Å; D262-R266 PolarHBondContact OD1-NE 3.33Å; D262-R266 IonicContact OD1-NH2 2.79Å; D262-R266 PolarHBondContact OD1-NH2 2.84Å; D262-R266 WeakPolarHBondContact OD2-CD 3.43Å; D262-R266 IonicContact OD2-CZ 2.83Å; D262-R266 IonicContact OD2-NE 2.89Å; D262-R266 PolarHBondContact OD2-NE 2.86Å; D262-R266 IonicContact OD2-NH2 3.44Å
263F91.3Very high88.3Confident0 Ų052.1 Ų52.10%025%0.251CS..Hα-helixtrans-57.9-42.6174.4-166.7-84000112.1T138 L141 A142 I145 I167 L256 G259 M260 M265 R266 Y267 L270 L271T138-F263 VanDerWaalsContact CG2-CA 3.47Å; T138-F263 HydrophobicContact CG2-CB 3.82Å; T138-F263 HydrophobicContact CG2-CD2 3.6Å; T138-F263 HydrophobicContact CG2-CG 4.1Å; L141-F263 HydrophobicContact CB-CE2 4.29Å; L141-F263 HydrophobicContact CD2-CD2 3.94Å; L141-F263 HydrophobicContact CD2-CE2 3.93Å; L141-F263 HydrophobicContact CG-CD2 4.35Å; L141-F263 HydrophobicContact CG-CE2 3.88Å; A142-F263 HydrophobicContact CB-CE2 4.18Å; I145-F263 HydrophobicContact CD1-CE2 4.06Å; I145-F263 HydrophobicContact CD1-CZ 3.62Å; I167-F263 HydrophobicContact CD1-CD1 3.73Å; I167-F263 HydrophobicContact CD1-CD2 4.18Å; I167-F263 HydrophobicContact CD1-CE1 3.76Å; I167-F263 HydrophobicContact CD1-CE2 4.21Å; I167-F263 HydrophobicContact CD1-CG 3.96Å; I167-F263 HydrophobicContact CD1-CZ 4.01Å; I167-F263 HydrophobicContact CG1-CD1 3.88Å; I167-F263 HydrophobicContact CG1-CE1 3.81Å; I167-F263 HydrophobicContact CG1-CZ 4.44Å; I167-F263 HydrophobicContact CG2-CE1 4.21Å; I167-F263 HydrophobicContact CG2-CZ 4.31Å; L256-F263 HydrophobicContact CD2-CB 4.35Å; G259-F263 PolarHBondContact O-N 3.48Å; G259-F263 VanDerWaalsContact O-N 3.16Å; M260-F263 PolarHBondContact O-N 3.3Å; M260-F263 HydrophobicContact SD-CB 4.47Å; M260-F263 HydrophobicContact SD-CD1 4.45Å; F263-M265 VanDerWaalsContact C-N 3.32Å; F263-M265 PolarHBondContact O-N 2.87Å; F263-R266 PolarHBondContact O-N 3.36Å; F263-Y267 HydrophobicContact CD2-CD2 4.14Å; F263-Y267 HydrophobicContact CE2-CD2 4.01Å; F263-Y267 HydrophobicContact CZ-CD2 4.38Å; F263-Y267 PolarHBondContact O-N 2.8Å; F263-L270 HydrophobicContact CE1-CB 3.9Å; F263-L270 HydrophobicContact CZ-CB 3.98Å; F263-L270 HydrophobicContact CZ-CD1 3.96Å; F263-L271 HydrophobicContact CD1-CD2 4Å; F263-L271 HydrophobicContact CE1-CD2 4.14Å
264R90.8Very high86.5Confident77 Ų7755.3 Ų55.329%0.29127%0.27SS..Hα-helixtrans-63.3-34.4176.2177.1172.166.4-130.7-8.1112.9E217 M260 D262 P268 L271E217-R264 IonicContact OE1-CZ 3.68Å; E217-R264 IonicContact OE1-NH1 3.39Å; E217-R264 PolarHBondContact OE1-NH1 3.07Å; E217-R264 IonicContact OE1-NH2 3.97Å; E217-R264 PolarHBondContact OE1-NH2 2.91Å; E217-R264 IonicContact OE2-NH1 2.93Å; M260-R264 WeakPolarHBondContact O-CB 3.46Å; M260-R264 PolarHBondContact O-N 2.66Å; D262-R264 VanDerWaalsContact C-N 3.3Å; D262-R264 PolarHBondContact O-N 3.22Å; R264-P268 WeakPolarHBondContact O-CG 3.47Å; R264-L271 HydrophobicContact CB-CD1 4.09Å; R264-L271 HydrophobicContact CG-CD1 3.76Å
265M80.6Confident84.1Confident147 Ų14760.5 Ų60.572%0.72431%0.305SS*.Hα-helixtrans-76.6-37176.7-71.4-62.4-61.600112.9K261 D262 F263K261-M265 VanDerWaalsContact O-CG 3.32Å; K261-M265 WeakPolarHBondContact O-CG 3.48Å; K261-M265 PolarHBondContact O-N 2.74Å; D262-M265 PolarHBondContact O-N 3.09Å; D262-M265 VanDerWaalsContact O-N 3.1Å; F263-M265 VanDerWaalsContact C-N 3.32Å; F263-M265 PolarHBondContact O-N 2.87Å
266R85.3Confident81.5Confident145 Ų14565.8 Ų65.855%0.54733%0.332SS..Hα-helixtrans-86.6-34.6-176.8-63.6-173.1-159.2-97.4-9.7114.1D262 F263 P268D262-R266 PolarHBondContact O-N 3.11Å; D262-R266 IonicContact OD1-CZ 3.73Å; D262-R266 VanDerWaalsContact OD1-CZ 3.26Å; D262-R266 IonicContact OD1-NE 2.73Å; D262-R266 PolarHBondContact OD1-NE 3.33Å; D262-R266 IonicContact OD1-NH2 2.79Å; D262-R266 PolarHBondContact OD1-NH2 2.84Å; D262-R266 WeakPolarHBondContact OD2-CD 3.43Å; D262-R266 IonicContact OD2-CZ 2.83Å; D262-R266 IonicContact OD2-NE 2.89Å; D262-R266 PolarHBondContact OD2-NE 2.86Å; D262-R266 IonicContact OD2-NH2 3.44Å; F263-R266 PolarHBondContact O-N 3.36Å; R266-P268 VanDerWaalsContact C-CD 3.44Å
267Y88.9Confident78.4Confident59 Ų5970.2 Ų70.223%0.23136%0.364CS..  trans-129.854.2-174.3-56.3-69.9000114.3T138 N139 A142 F263 P269 L270T138-Y267 HydrophobicContact CG2-CD2 4.06Å; T138-Y267 HydrophobicContact CG2-CE2 3.97Å; T138-Y267 WeakPolarHBondContact O-CE2 3.45Å; N139-Y267 WeakPolarHBondContact CA-OH 3.47Å; N139-Y267 WeakPolarHBondContact CB-OH 3.43Å; A142-Y267 HydrophobicContact CB-CD1 4.01Å; A142-Y267 HydrophobicContact CB-CD2 3.74Å; A142-Y267 HydrophobicContact CB-CE1 3.92Å; A142-Y267 HydrophobicContact CB-CE2 3.63Å; A142-Y267 HydrophobicContact CB-CG 3.94Å; F263-Y267 HydrophobicContact CD2-CD2 4.14Å; F263-Y267 HydrophobicContact CE2-CD2 4.01Å; F263-Y267 HydrophobicContact CZ-CD2 4.38Å; F263-Y267 PolarHBondContact O-N 2.8Å; Y267-P269 VanDerWaalsContact C-N 3.27Å; Y267-P269 VanDerWaalsContact O-N 3.13Å; Y267-L270 HydrophobicContact CD1-CD1 4.46Å; Y267-L270 HydrophobicContact CG-CD1 4.29Å; Y267-L270 PolarHBondContact O-N 2.94Å
268P80.3Confident75.5Confident72 Ų7279.8 Ų79.847%0.46841%0.405SS..G310 helixtrans-47-38173.7-22.627.7000115.9R264 R266 L270 L271R264-P268 WeakPolarHBondContact O-CG 3.47Å; R266-P268 VanDerWaalsContact C-CD 3.44Å; P268-L270 PolarHBondContact O-N 3.48Å; P268-L271 WeakPolarHBondContact O-CB 3.49Å; P268-L271 WeakPolarHBondContact O-CG 3.24Å; P268-L271 PolarHBondContact O-N 3.15Å
269P87.2Confident72.8Confident121 Ų12184.5 Ų84.579%0.78643%0.433SS*.G310 helixtrans-69.3-10.4178.2-21.935.3000115.5Y267 L271Y267-P269 VanDerWaalsContact C-N 3.27Å; Y267-P269 VanDerWaalsContact O-N 3.13Å; P269-L271 VanDerWaalsContact C-N 3.32Å
270L90.3Very high69.8Low35 Ų3593.2 Ų93.218%0.18347%0.474CS..G310 helixtrans-97.223.4176.6-59.9-175.9000112.1A142 I145 A168 F263 Y267 P268A142-L270 HydrophobicContact CB-CD1 3.84Å; I145-L270 HydrophobicContact CG2-CD2 4.5Å; A168-L270 WeakPolarHBondContact CB-O 3.44Å; A168-L270 PolarHBondContact N-O 3.45Å; F263-L270 HydrophobicContact CE1-CB 3.9Å; F263-L270 HydrophobicContact CZ-CB 3.98Å; F263-L270 HydrophobicContact CZ-CD1 3.96Å; Y267-L270 HydrophobicContact CD1-CD1 4.46Å; Y267-L270 HydrophobicContact CG-CD1 4.29Å; Y267-L270 PolarHBondContact O-N 2.94Å; P268-L270 PolarHBondContact O-N 3.48Å
271L90.7Very high66.6Low23 Ų23101.2 Ų101.212%0.1251%0.509CS..EExtended strand (participates in β ladder)trans-118140.2-177.1-55.9176.9000112.1R166 M260 F263 R264 P268 P269R166-L271 CarbonylContact O-C 3.42Å; R166-L271 WeakPolarHBondContact O-CA 3.37Å; M260-L271 HydrophobicContact CE-CD2 3.48Å; M260-L271 VanDerWaalsContact CE-CD2 3.48Å; F263-L271 HydrophobicContact CD1-CD2 4Å; F263-L271 HydrophobicContact CE1-CD2 4.14Å; R264-L271 HydrophobicContact CB-CD1 4.09Å; R264-L271 HydrophobicContact CG-CD1 3.76Å; P268-L271 WeakPolarHBondContact O-CB 3.49Å; P268-L271 WeakPolarHBondContact O-CG 3.24Å; P268-L271 PolarHBondContact O-N 3.15Å; P269-L271 VanDerWaalsContact C-N 3.32Å
272I87.2Confident63.8Low70 Ų70104.1 Ų104.136%0.35953%0.529SS..EExtended strand (participates in β ladder)trans-95.2112.2158.5-60.5169.5000106.6C165 R166 A168C165-I272 WeakPolarHBondContact CA-O 3.45Å; R166-I272 HydrophobicContact CG-CB 4.06Å; R166-I272 PolarHBondContact N-O 3.01Å; R166-I272 PolarHBondContact O-N 3.28Å; A168-I272 HydrophobicContact CB-CD1 4.38Å; A168-I272 HydrophobicContact CB-CG1 3.96Å
273Q77.7Confident60.9Low124 Ų124108.3 Ų108.358%0.57956%0.56SS**EExtended strand (participates in β ladder)trans-101.4129167-66.7-180-0.500108.5Q164 C165Q164-Q273 WeakPolarHBondContact O-CA 3.09Å; C165-Q273 HydrophobicContact CB-CG 4.22Å
274T56.5Low58Low66 Ų66118.7 Ų118.741%0.40560%0.6SS.*  trans-82.9121.2169.857.60000109.3E163 Q164 I276E163-T274 WeakPolarHBondContact O-CG2 3.2Å; E163-T274 PolarHBondContact O-OG1 2.78Å; Q164-T274 PolarHBondContact O-N 3.21Å; T274-I276 PolarHBondContact O-N 3.47Å
275T42.5Very low55Low141 Ų141123.7 Ų123.787%0.86563%0.626SS**  trans-72.471173.5-8.20000110.5S277T275-S277 PolarHBondContact O-N 3.21Å
276I37.4Very low52.8Low111 Ų111124.8 Ų124.857%0.56963%0.633SS**  trans-66.8102.9167.8-60.7177.5000106.6Q164 T274 F278Q164-I276 HydrophobicContact CG-CD1 4.35Å; T274-I276 PolarHBondContact O-N 3.47Å; I276-F278 PolarHBondContact O-N 2.86Å; I276-F278 VanDerWaalsContact O-N 3.12Å
277S27.7Very low50.3Low94 Ų94125.3 Ų125.366%0.65765%0.647SS**  trans-53.5118.8168.3-55.70000108.8T275 N279T275-S277 PolarHBondContact O-N 3.21Å; S277-N279 PolarHBondContact O-N 2.71Å
278F28Very low47.5Very low208 Ų208128.5 Ų128.591%0.91268%0.675SS**  trans-65.385.9174.1-95.2-88.9000109.8I276 Q280I276-F278 PolarHBondContact O-N 2.86Å; I276-F278 VanDerWaalsContact O-N 3.12Å; F278-Q280 PolarHBondContact O-N 3.37Å; F278-Q280 VanDerWaalsContact O-N 3.11Å
279N25.9Very low45Very low148 Ų148134 Ų13479%0.79169%0.694SS**  trans-63.9111.2173.1-101-46.5000108.7S277 K281S277-N279 PolarHBondContact O-N 2.71Å; N279-K281 PolarHBondContact O-N 2.87Å
280Q28.7Very low42.4Very low183 Ų183136.8 Ų136.886%0.85570%0.702SS**SBendtrans-59.391.5175.8-64.4172.3-16.500110.7F278F278-Q280 PolarHBondContact O-N 3.37Å; F278-Q280 VanDerWaalsContact O-N 3.11Å
281K26.6Very low39.6Very low168 Ų168144.2 Ų144.273%0.7374%0.736SS**  trans-162.232.5174.8-111.9141-161170.60118.8N279N279-K281 PolarHBondContact O-N 2.87Å
282D28.6Very low36.7Very low169 Ų169147.5 Ų147.590%0.90477%0.766SS**  trans-120.677.7153.7-91.2-46000110.2
283S25.8Very low34.2Very low113 Ų113149.6 Ų149.679%0.7978%0.784SS**  trans-155.159.3-176.4-59.70000111.1
284R31.4Very low31.8Very low219 Ų219153.3 Ų153.383%0.82680%0.798SS**  trans-150.2121175.1-84.4-167.1-75.3-173.2-1.6107.9
285Q28.8Very low30.6Very low181 Ų181158.7 Ų158.785%0.84682%0.816SS**  cis-146.3129.7-1.1-58.9162.9-75.100110.2
286I34Very low30Very low170 Ų170160.4 Ų160.487%0.87281%0.814SS**SBendtrans-138148.3152.1-61.2-174.1000106.9
287N31.8Very low29.8Very low157 Ų157164.4 Ų164.484%0.8482%0.824SS**  trans-57.1137.3-160.1-74-20.9000116.6
288P29.7Very low30.1Very low126 Ų126165.7 Ų165.782%0.81883%0.83SS**  trans-97.687.3173.236.8-31.8000112.9
289Q29.6Very low30.4Very low187 Ų187162.8 Ų162.887%0.87482%0.824SS**  trans-150.392.8159.7-84.7-154.8-38.600112
290L31.9Very low30.6Very low180 Ų180163.1 Ų163.194%0.94283%0.825SS**  trans-167.8139.6146.3-108.6155.8000108.4
291E32.1Very low30.8Very low191 Ų191161 Ų16189%0.89382%0.82SS**PPolyproline II helixtrans-88.2134.3-166.8-63172.5121.700112
292A29.6Very low30.9Very low91 Ų91160.8 Ų160.875%0.75282%0.824SS**PPolyproline II helixtrans-87.5120.5168.400000109.5K294A292-K294 PolarHBondContact O-N 3.1Å
293P33.7Very low31Very low114 Ų114163.7 Ų163.774%0.7482%0.823SS**PPolyproline II helixtrans-68.8122.717827.4-33.2000110.4F295P293-F295 PolarHBondContact O-N 3.45Å; P293-F295 VanDerWaalsContact O-N 3.12Å
294K27.9Very low31.1Very low203 Ų203167 Ų16788%0.88383%0.826SS**  trans-70.7102.6172.5-68179.3179.71780109.7A292A292-K294 PolarHBondContact O-N 3.1Å
295F31.5Very low31Very low178 Ų178165.7 Ų165.778%0.78183%0.829SS**  trans-85.3118160.4-104.4-91.3000109.7P293P293-F295 PolarHBondContact O-N 3.45Å; P293-F295 VanDerWaalsContact O-N 3.12Å
296Q29.8Very low30.9Very low177 Ų177165.4 Ų165.483%0.82783%0.828SS**  trans-107.9110.7177.6-177.8173.3-7.800107.8
297Y32.3Very low30.4Very low196 Ų196164.3 Ų164.377%0.76982%0.823SS**PPolyproline II helixtrans-73.3134.5175.8-71-91.1000109.8
298P34.7Very low30.3Very low120 Ų120163 Ų16378%0.77982%0.823SS**PPolyproline II helixtrans-77.2130.7173.5-13.729.6000111.6L300P298-L300 PolarHBondContact O-N 3.22Å
299D33.5Very low30.2Very low148 Ų148163.2 Ų163.279%0.79182%0.822SS**PPolyproline II helixtrans-68.7118.3177.6-61.6-65.8000112.2N301D299-N301 VanDerWaalsContact C-N 3.31Å; D299-N301 PolarHBondContact O-N 3.01Å
300L30.4Very low30.2Very low155 Ų155160.3 Ų160.381%0.81282%0.817SS**  trans-81.678.7168.2-73.7174.3000110.2P298 I302P298-L300 PolarHBondContact O-N 3.22Å; L300-I302 PolarHBondContact O-N 3.41Å
301N33.9Very low30.1Very low139 Ų139159.3 Ų159.374%0.74381%0.812SS**  trans-62.2104.8166.6-89.8-65.4000109.9D299 R303D299-N301 VanDerWaalsContact C-N 3.31Å; D299-N301 PolarHBondContact O-N 3.01Å; N301-R303 PolarHBondContact O-N 2.9Å
302I28.6Very low30Very low162 Ų162157.1 Ų157.183%0.83181%0.806SS**  trans-70.1111.4167.4-60.4174.3000107.7L300L300-I302 PolarHBondContact O-N 3.41Å
303R30.7Very low29.9Very low231 Ų231156.6 Ų156.687%0.87280%0.801SS**  trans-128.5137.8157-78.4-169.2171.3-173.6-3.4108.9N301N301-R303 PolarHBondContact O-N 2.9Å
304E27Very low29.7Very low181 Ų181158 Ų15885%0.84680%0.803SS**  trans-72.3144.7177.1-58.5155.9119.500109.5
305E28.7Very low29.9Very low193 Ų193155 Ų15590%0.90280%0.796SS**  trans-170131135.3-108.7164.2-159.300112.2
306Q27.5Very low30Very low175 Ų175153.6 Ų153.682%0.81880%0.796SS**  trans-99.3150.5146.7-58.2179.8-6.700105.2
307L24.7Very low30.2Very low147 Ų147149.2 Ų149.277%0.7779%0.789SS**  cis-136.7163.112.1-70.481.6000109.9
308P27.7Very low30.2Very low128 Ų128144.1 Ų144.183%0.83178%0.782SS**  trans-88.6128170.133.8-31.4000112.8
309T29.3Very low30.1Very low131 Ų131146.8 Ų146.880%0.80479%0.785SS**  trans-141.2118162.521.80000113
310V28.7Very low30Very low126 Ų126143.8 Ų143.876%0.76478%0.775SS**  trans54.7113.3157.1-169.60000117.7L312V310-L312 HydrophobicContact CG1-CB 4.14Å
311N30.1Very low30.1Very low159 Ų159145.2 Ų145.285%0.8578%0.775SS**  trans-101.3137151.8-1730000108.3
312L28.9Very low29.6Very low146 Ų146145.8 Ų145.876%0.76478%0.778SS**  trans-151.3119.7177.8-16183.2000111V310V310-L312 HydrophobicContact CG1-CB 4.14Å
313A28.9Very low30.2Very low79 Ų79142.9 Ų142.965%0.65377%0.769SS**  trans52.113114700000119.5
314D29.9Very low30.2Very low143 Ų143137.6 Ų137.677%0.76576%0.763SS**  cis-172-164.2-0.4-135-47.3000109.9
315L30.9Very low30.2Very low141 Ų141137 Ų13774%0.73877%0.765SS**  trans72.2126.9170-81.867.1000115.3
316L33.6Very low30.2Very low149 Ų149132.4 Ų132.478%0.7875%0.754SS**  cis-148.4133.2-1.5-92.2175.2000111.5
317A33.7Very low30.2Very low84 Ų84133.5 Ų133.569%0.69476%0.756SS**  48.3147.9117.600000122.5
318S33.2Very low30.4Very low89 Ų89134.7 Ų134.762%0.62276%0.755SS**  cis-174.4163.3-13.556.30000113
319Q32.7Very low30.3Very low177 Ų177134.3 Ų134.383%0.82775%0.751SS**  trans67.4163.8156.4-67.2164.838.400120.4
320S30.5Very low30.3Very low85 Ų85135 Ų13559%0.59475%0.748SS**  -173.7151.7-58.359.70000113
321K32.2Very low30.3Very low185 Ų185136.4 Ų136.480%0.80475%0.746SS**  trans75.3114.1158.8-62.1170.7-175.61780121.1
322D25Very low30.2Very low150 Ų150136 Ų13680%0.80274%0.744SS**  31.6157105.2-67.7-40000122.3
323P40.6Very low30.3Very low101 Ų101132 Ų13266%0.65674%0.738SS**  cis-148.4-167.1-3242-23000115.5
324T29.4Very low30.3Very low121 Ų121139.8 Ų139.874%0.74275%0.75SS**  trans88.5140.8149.652.20000125.3
325L28.3Very low30.5Very low168 Ų168139.6 Ų139.688%0.8876%0.755SS**  trans82.3160149.5-77.9163.2000121.3
326S28.3Very low30.4Very low96 Ų96135.7 Ų135.767%0.67175%0.748SS**  trans-135.1160-159.459.80000112.7
327F28.3Very low30.4Very low199 Ų199137.2 Ų137.287%0.87375%0.753SS**  trans-163.9-163.9141.9-120.7-82.3000112.1
328K27.4Very low30.4Very low172 Ų172139.1 Ų139.175%0.74875%0.752SS**  trans-115.3143.9-152.8-73.8179175.7176.20116.3
329T26.7Very low30.4Very low120 Ų120142 Ų14274%0.73676%0.76SS**  trans54.9134.4132.5-50.70000121.8
330I28.8Very low30.4Very low144 Ų144135.6 Ų135.674%0.73874%0.742SS**  trans163.1112.6140.9-89.4162.3000107.5
331Q29.7Very low30.5Very low157 Ų157138.8 Ų138.873%0.73476%0.758SS**  62.4149.2102.8-69.6-173.58.600115.8
332N28.2Very low30.5Very low150 Ų150135.2 Ų135.280%0.80276%0.756SS**  cis-164.8165.53.9-119.2-21.9000112.1
333G29.8Very low30.9Very low61 Ų61132.9 Ų132.963%0.62975%0.752SS**  trans135.2119.8163.700000114.1
334R30Very low30.5Very low243 Ų243133.4 Ų133.492%0.91775%0.753SS**  69.713165.5-77.4-172.5169.2175.4-3.8113.6
335T32.9Very low30.6Very low140 Ų140135.6 Ų135.686%0.85975%0.752SS**  cis-168.4171.9-10.360000107.2
336G30.3Very low30.8Very low58 Ų58135.3 Ų135.360%0.59874%0.744SS**  cis155.5171.2100000111.6
337M33.4Very low30.9Very low181 Ų181142 Ų14289%0.89276%0.755SS**  trans71.9151.3175.7-49.6170.884.400116.3
338N33.9Very low31.1Very low125 Ų125137.8 Ų137.867%0.66875%0.747SS**  cis-159.2172.3-22.8-106.842.9000104.9
339D32.7Very low31Very low148 Ų148137.9 Ų137.979%0.79176%0.755SS**  cis-153.6-1633.7-131.3-46.7000106.7
340G31.2Very low31.2Very low44 Ų44136.1 Ų136.145%0.45475%0.753SS.*  cis167.9152.5-2.900000112.9
341T34.2Very low31.6Very low152 Ų152134.6 Ų134.693%0.93375%0.752SS**  trans66.1145.5-17877.70000116.4
342S31.7Very low31.5Very low109 Ų109136.9 Ų136.976%0.76276%0.76SS**  cis-140.3159.32.5-166.90000113.7
343S32.8Very low31.8Very low101 Ų101134.9 Ų134.971%0.70676%0.755SS**  trans-51.2172.4178.756.90000117.9
344V32.8Very low31.8Very low112 Ų112137.1 Ų137.168%0.67976%0.761SS**  cis-154126.336.71690000114
345F30.7Very low31.8Very low167 Ų167131.4 Ų131.473%0.73275%0.753SS**  trans50.8163.3145.6-67-165.7000121.7
346K32.3Very low31.7Very low163 Ų163132.9 Ų132.971%0.70975%0.748SS**  cis-177.6161.1-22.8-96.3175.5-170.3168.50106.2
347R30.3Very low31.7Very low237 Ų237136.1 Ų136.189%0.89475%0.752SS**  cis-165.1146.3-30.2-144.6-165.3-174.4-148.72.6107
348P33.5Very low31.7Very low109 Ų109133.9 Ų133.971%0.70874%0.743SS**  trans-106.2161.7-168.539.1-34.1000116.7
349L25.6Very low31.4Very low174 Ų174138.5 Ų138.591%0.91175%0.751SS**  trans54.9143.1153.2-64.8165.4000119.3
350A30.3Very low31.3Very low84 Ų84137.1 Ų137.169%0.69475%0.748SS**  cis-161-149.1-7.700000106.9
351P36.6Very low30.9Very low112 Ų112143.2 Ų143.273%0.72777%0.765SS**  cis-136.2147.2-32.336.2-17.3000117.2
352K28.7Very low30.6Very low205 Ų205145.9 Ų145.989%0.89176%0.759SS**  trans58.8168.5152.2-72.9-175.5178-179.20120.3
353P34.4Very low30.4Very low108 Ų108146.2 Ų146.270%0.70176%0.757SS**  cis-130.5-179.3-19.439.6-23000116.1
354S29Very low30.3Very low107 Ų107147.4 Ų147.475%0.74876%0.762SS**  trans66.2149.516067.20000119.1
355T31.3Very low30.1Very low123 Ų123152.3 Ų152.376%0.75577%0.774SS**  cis-149.4171.8-14.329.40000107
356F30.4Very low29.8Very low171 Ų171153.2 Ų153.275%0.7578%0.783SS**  -177.8145.352.5-151.3-90.3000110.4
357N30.6Very low29.6Very low127 Ų127154 Ų15468%0.67979%0.792SS**  trans54.9148.3168.1-74.61.6000121
358N32.4Very low29.4Very low134 Ų134147.6 Ų147.672%0.71778%0.783SS**  cis-130.4138.1-6.5-81.7-38.9000108.2
359R27.4Very low29.1Very low221 Ų221147.1 Ų147.183%0.83478%0.782SS**  41.2132.390.1-103-179.6173.7165.4-1.8115
360V30.5Very low29.4Very low120 Ų120147.8 Ų147.873%0.72778%0.781SS**  cis-137.1148.428.8175.60000113.6Y362V360-Y362 HydrophobicContact CG1-CD2 4.47Å
361Q24.3Very low29Very low172 Ų172149.3 Ų149.380%0.80479%0.786SS**  trans-124.7159.1155.9-78.4-175.9-26.100108.6
362Y27.7Very low28.9Very low207 Ų207148.9 Ų148.981%0.81278%0.784SS**  trans-147.5147.7150.1-105.5-74.5000112.4V360V360-Y362 HydrophobicContact CG1-CD2 4.47Å
363T27.2Very low28.8Very low117 Ų117147.3 Ų147.372%0.71878%0.779SS**  trans-131159.1177.9470000109.8
364P31.3Very low28.6Very low125 Ų125149.4 Ų149.481%0.81278%0.783SS**  trans-90.3157.8-167.335.1-36.7000114.7
365K28.1Very low28.3Very low215 Ų215149 Ų14994%0.93578%0.78SS**  trans-157.3159155.4-115176-177-177.40111.3
366M24.7Very low28.1Very low186 Ų186149.6 Ų149.692%0.91678%0.778SS**  trans-103.6163.3-173.9-65.3173.8153.500112.9
367M26.9Very low27.9Very low181 Ų181147.6 Ų147.689%0.89278%0.775SS**  -158.9159.5126.8-109.3178.3114.400113.3
368S25.9Very low27.7Very low101 Ų101147.6 Ų147.671%0.70678%0.775SS**  trans-42161.1179.351.90000117.2
369S27.9Very low27.5Very low100 Ų100147.5 Ų147.570%0.69977%0.773SS**  -170168.951.160.80000118.1
370Q31.2Very low27.3Very low187 Ų187147 Ų14787%0.87477%0.771SS**  trans87.7134.8163.1-60.9-173.4-0.400118.5
371S23.5Very low27.1Very low116 Ų116148.1 Ų148.181%0.81177%0.769SS**  trans-117.5-169.6-175.3-28.60000108.5
372P33.4Very low27.2Very low104 Ų104145.2 Ų145.268%0.67576%0.763SS**  cis-141167.227.543.6-24.4000118.1
373E27.6Very low27.2Very low171 Ų171142.1 Ų142.180%0.79976%0.761SS**  trans55154.4138.2-68.2174.7-16700121.5
374I28.6Very low27.1Very low152 Ų152141.3 Ų141.378%0.77976%0.76SS**  cis-144.6176.4-2.7-129.8160.6000111.7
375S24.1Very low27.5Very low98 Ų98141.1 Ų141.169%0.68576%0.758SS**  trans-89.5179.7-167.2-163.40000116.4
376L26.4Very low27.6Very low136 Ų136136.3 Ų136.371%0.71275%0.747SS**  trans94113.2154.1-64161.5000122.2
377N26.2Very low27.9Very low129 Ų129133.8 Ų133.869%0.6974%0.737SS**  74.8141.3125.4-73.41.8000124.9
378N26.8Very low28.2Very low128 Ų128131.2 Ų131.268%0.68472%0.722SS**  trans91.1114.6135.1-78-7.3000123.7
379I26.9Very low28.5Very low131 Ų131136.5 Ų136.567%0.67273%0.727SS**  82.3113.1119-67.8174000121
380R25Very low28.4Very low210 Ų210140.4 Ų140.479%0.79274%0.739SS**  trans65128.5138.8-72.9178178.6-173.92.1124
381Q26.2Very low28.2Very low144 Ų144134.8 Ų134.867%0.67373%0.731SS**  67.4104.4122.9-64.7179.3-60.500123.5
382T25.3Very low28.5Very low112 Ų112135.9 Ų135.969%0.68773%0.733SS**  62149.3120.561.80000124.1
383N27.2Very low28.3Very low142 Ų142137.6 Ų137.676%0.75974%0.741SS**  trans84.6108.6164.9-57.3-22.3000114.6
384S26.3Very low28.2Very low100 Ų100134 Ų13470%0.69974%0.735SS**  80.1139.665.583.30000112.2
385P38.5Very low28.1Very low121 Ų121132.4 Ų132.479%0.78674%0.737SS**  -142.4-173.978.943.5-27.4000112.6
386V30.2Very low28.2Very low114 Ų114131.3 Ų131.369%0.69174%0.741SS**  cis-168.3169.6-29142.50000107.1
387D30.9Very low28.3Very low132 Ų132133.1 Ų133.171%0.70675%0.751SS**  trans75.5143.2165.9-73-20.7000120
388H34.7Very low28.5Very low127 Ų127131.6 Ų131.659%0.58875%0.75SS**  cis-150.7136.73.5-135.630.7000115
389R31.6Very low28.6Very low212 Ų212132.4 Ų132.480%0.875%0.754SS**  trans73.8164.8144.5-72.7-179.9-171.2-119.1-1.7123.7
390L25.4Very low28.7Very low183 Ų183133 Ų13396%0.95876%0.758SS**  trans-124.2161.3-172-67.5154.4000110.6
391G28.4Very low28.6Very low69 Ų69127.5 Ų127.571%0.71175%0.752SS**  trans140.5115.9167.800000111.7
392V28.4Very low28.8Very low139 Ų139127.7 Ų127.784%0.84276%0.762SS**  cis105.7139.129.81740000112.2
393V29Very low29Very low140 Ų140125.2 Ų125.285%0.84876%0.76SS**  trans68.8175.2-173.9-127.90000117.5
394S26.1Very low29Very low96 Ų96128.4 Ų128.467%0.67177%0.767SS**  trans-148.6168.3-137.9590000116.7
395S26.7Very low29Very low117 Ų117127.6 Ų127.682%0.81876%0.761SS**  trans61.9128.8154.650.80000119.8
396G27Very low28.6Very low75 Ų75128.3 Ų128.377%0.77376%0.758SS**  trans-163.52.5-172.900000123.7
397L27.3Very low28.3Very low175 Ų175129.4 Ų129.492%0.91676%0.76SS**  trans63.7173.3161.8-72.2169.1000121.9
398S30.3Very low28.2Very low97 Ų97133.1 Ų133.168%0.67877%0.765SS**  trans73.3137.7178.772.60000116.7
399N28.4Very low27.7Very low144 Ų144130.9 Ų130.977%0.7776%0.764SS**  cis-104.6144.24.1-72.9-44.9000111.6
400L29.4Very low27.5Very low144 Ų144126.2 Ų126.275%0.75476%0.759SS**  55.4144.273.8-7688.4000115.6
401S24Very low27.6Very low94 Ų94123.7 Ų123.766%0.65775%0.747SS**  cis169.6169.3-47.852.40000109.9
402V30.3Very low27.6Very low148 Ų148127.2 Ų127.290%0.89775%0.747SS**  trans72.6136.4173.4-166.80000115.7
403G28.1Very low27.5Very low61 Ų61125.4 Ų125.463%0.62974%0.741SS**  cis158.8157.8-11.900000113.7
404K28.2Very low27.5Very low209 Ų209122.8 Ų122.891%0.90973%0.729SS**  trans52.5151.9155.5-70.4-173179.1-175.60120.5
405S26.9Very low27.6Very low82 Ų82125.2 Ų125.257%0.57373%0.734SS**  cis-168.6180-12.444.50000110.7
406D28.6Very low27.6Very low136 Ų136126.9 Ų126.973%0.72773%0.734SS**  trans73168.1155.6-52.2-46000119.9
407L25.5Very low27.7Very low138 Ų138129 Ų12972%0.72373%0.732SS**  -174.8174.5-58.3-112.5170.6000108.3
408Y27.9Very low27.7Very low209 Ų209128.3 Ų128.382%0.8273%0.728SS**  trans68.6165.4173-66.3-83.6000118.8
409S25Very low28.2Very low80 Ų80128.8 Ų128.856%0.55973%0.729SS**  -177172.4-92.860.80000112.7
410T26.7Very low28.4Very low115 Ų115133 Ų13371%0.70674%0.735SS**  trans67.4158.4148.747.30000118.2
411N27.3Very low28.4Very low130 Ų130129 Ų12970%0.69573%0.729SS**  cis-165.5173.8-0.8-126.4-17.4000114.4
412I28.4Very low28.7Very low142 Ų142129.9 Ų129.973%0.72874%0.735SS**  trans69.3138.4143.4-75.5164.4000118.3
413S26.7Very low28.8Very low101 Ų101129.8 Ų129.871%0.70673%0.728SS**  cis-170.4-162.2-10.965.60000108.5
414S29Very low28.9Very low86 Ų86135.8 Ų135.860%0.60174%0.737SS**  cis-164.3174.4-1.850.30000110.7
415N27.6Very low29Very low146 Ų146128.6 Ų128.678%0.78172%0.722SS**  trans51.6129.6147.9-59.8-6.7000120.7
416L26.7Very low29Very low153 Ų153131.7 Ų131.780%0.80173%0.732SS**  -175150.361-129.1151.3000114.1
417T29.3Very low29.2Very low120 Ų120134.2 Ų134.274%0.73674%0.74SS**  trans79.8149.5156.96.10000123.3
418L27.5Very low29.3Very low160 Ų160133.4 Ų133.484%0.83874%0.736SS**  trans-135.6-164174.2-66.2173.3000107
419P41.3Very low29.5Very low106 Ų106130.9 Ų130.969%0.68873%0.734SS**  cis-136.2-175.2-8.943.9-27.6000114.8
420Y31.9Very low29.7Very low233 Ų233133.9 Ų133.991%0.91474%0.737SS**  -166.5124.7122.1-125.3-87.1000113.4
421G29.2Very low29.9Very low61 Ų61134.6 Ų134.663%0.62974%0.736SS**  trans70.8-173.5176.600000115.7
422S31.4Very low30Very low112 Ų112134.3 Ų134.378%0.78373%0.734SS**  cis-179.2143.6-23.9-96.60000109.3
423I31.6Very low29.8Very low145 Ų145132.5 Ų132.574%0.74473%0.73SS**  cis-160.2161.3-17.6-133.2173000109
424K30.9Very low29.7Very low188 Ų188137.7 Ų137.782%0.81773%0.734SS**  trans6.8141.2166.6-55.3-175.8-180-169.50120.6
425G29Very low29.4Very low58 Ų58142.2 Ų142.260%0.59874%0.743SS**  cis-170.1158.1300000110
426D28.7Very low29.3Very low147 Ų147143 Ų14379%0.78675%0.747SS**  69.5119.380.6-52-38.5000110.3
427E30.8Very low29Very low189 Ų189139.9 Ų139.988%0.88374%0.737SS**  cis-153.2-177.713.7-85160.3-167.500108.1
428D28.9Very low29Very low120 Ų120142 Ų14264%0.64274%0.744SS**  cis-168.9168.8-42.9-176.728.4000105.9K430D428-K430 IonicContact OD2-NZ 2.71Å; D428-K430 PolarHBondContact OD2-NZ 2.77Å
429M31.3Very low28.9Very low156 Ų156140.9 Ų140.977%0.76874%0.739SS**  trans95.8115.8-176.1-59.7-163.413600115.6
430K29.1Very low28.2Very low144 Ų144142.7 Ų142.763%0.62674%0.743SS**  80.5128.256.4-69.2166.4-172.9139.60111.6D428D428-K430 IonicContact OD2-NZ 2.71Å; D428-K430 PolarHBondContact OD2-NZ 2.77Å
431D30.9Very low28Very low129 Ų129138.6 Ų138.669%0.6974%0.736SS**  cis-150.3160.517.8-97-36.3000113.8
432N29.7Very low27.9Very low124 Ų124142 Ų14266%0.66374%0.74SS**  trans55.5120.5145.4-64.7-27.3000119.3
433V23.9Very low27.6Very low104 Ų104145.4 Ų145.463%0.6374%0.743SS**  cis57.8126.732.7-146.40000110.6
434W26.1Very low27.3Very low211 Ų211147.2 Ų147.280%0.79975%0.749SS**  cis-146.7165.337.4-62.376000108.3
435K22.1Very low27.3Very low180 Ų180143.4 Ų143.478%0.78374%0.743SS**  cis71.780.820.6-147-165.7-169.8-167.50117
436L24.3Very low27.1Very low164 Ų164149 Ų14986%0.85976%0.758SS**  -169.2166.5129.7-103.9160.3000112.7
437S22.3Very low26.8Very low86 Ų86146.1 Ų146.160%0.60176%0.755SS**  trans-108158.8176.749.80000110.4
438D27.3Very low26.4Very low166 Ų166146.9 Ų146.989%0.88875%0.751SS**  trans-149.1158.7151.6-94.2-41.1000109.2
439D26.2Very low26Very low135 Ų135146.7 Ų146.772%0.72276%0.758SS**  trans-111.3162.9-160-67.9-49.7000115.9
440N26.3Very low25.6Very low145 Ų145145.4 Ų145.478%0.77575%0.754SS**  trans87.2160.8147.5-68.5-43.8000122.2
441L28.4Very low25.4Very low147 Ų147149.7 Ų149.777%0.7777%0.768SS**  trans76.8125.9-179.9-43.1179.9000115.1
442D26Very low25.1Very low132 Ų132151.3 Ų151.371%0.70677%0.771SS**  cis-158.4176.7-13.1-93.6-35.1000109.5
443E26.4Very low25Very low183 Ų183151.2 Ų151.286%0.85577%0.771SS**  trans13.4145.1157.6-59.6178.2171.200121.5
444E24Very low25.2Very low184 Ų184156 Ų15686%0.8678%0.783SS**  cis-158.8168-2.2-122.7-149.3150.300109.5
445P31.2Very low25.3Very low107 Ų107152.8 Ų152.870%0.69578%0.781SS**  trans-115.6127.1-16738.5-28.9000118.3
446L24.4Very low25.4Very low177 Ų177152.1 Ų152.193%0.92778%0.78SS**  trans-154.5165.2162.3-71.1180000109.1
447A23.7Very low26Very low86 Ų86148.3 Ų148.371%0.71177%0.765SS**  cis-168.6160-33.800000108.8
448Y21.2Very low26.3Very low205 Ų205151.1 Ų151.180%0.80477%0.773SS**  trans-17.4131.8164.3-157.8-84.7000119.2
449C21.6Very low26.4Very low115 Ų115147.6 Ų147.678%0.77776%0.762SS**  trans179.9148.6134.7-104.30000114.6
450D22.4Very low26.5Very low129 Ų129147.2 Ų147.269%0.6976%0.764SS**  trans-73.2161.4165.4-52.7-85.9000112.4
451Y25.9Very low26.6Very low234 Ų234146.2 Ų146.292%0.91876%0.758SS**  trans-156138.6152.1-115-72.5000113.3
452H23.4Very low26.5Very low163 Ų163146.2 Ų146.276%0.75576%0.759SS**  trans-101.7134.3169.6-118.2-78.3000110.9
453D27.9Very low26.6Very low123 Ų123148.5 Ų148.566%0.65876%0.763SS**  trans38.1136.5153.6-60.4-42.2000124.1
454K28.3Very low26.6Very low203 Ų203147.7 Ų147.788%0.88376%0.764SS**  trans-137.9146.9144.2-74.8-175.1178.8173.60110.6
455L27.3Very low26.7Very low145 Ų145143.9 Ų143.976%0.75976%0.757SS**  trans-127.6174.8173.6-53.8174.4000107.8
456H25.5Very low26.5Very low166 Ų166142 Ų14277%0.76976%0.758SS**  cis-162.5-158.67.9-141.517.8000106.1
457P36.7Very low26.7Very low84 Ų84141.8 Ų141.855%0.54575%0.752SS.*  cis-135.3-158.2-17.632.2-8.1000113.4
458D28Very low26.9Very low145 Ų145143.5 Ų143.578%0.77575%0.748SS**  trans81135.8153.6-64.8-18.8000120.4
459S29Very low27.2Very low92 Ų92140.5 Ų140.564%0.64374%0.744SS**  cis-164.5159.6-4.849.20000115
460T30Very low27.2Very low127 Ų127142.8 Ų142.878%0.77974%0.743SS**  trans65.5149.4153.847.60000122.2
461L26.5Very low27.3Very low123 Ų123142.5 Ų142.564%0.64474%0.742SS**  cis-166.1142.7-20.6-160.1158000110.6K463L461-K463 HydrophobicContact CD2-CD 4.46Å; L461-K463 HydrophobicContact CD2-CG 4.46Å
462N28.3Very low27.2Very low148 Ų148136.7 Ų136.779%0.79173%0.731SS**  trans129.7138.3156.9-76.3-39.4000113.2
463K26.3Very low27.2Very low179 Ų179136 Ų13678%0.77873%0.731SS**  cis154.4120.5-34.6-103.2-161.1168.9-175.90107.8L461L461-K463 HydrophobicContact CD2-CD 4.46Å; L461-K463 HydrophobicContact CD2-CG 4.46Å
464L26.7Very low27.1Very low167 Ų167135.9 Ų135.987%0.87473%0.73SS**  trans158.288.4150-87.8162.8000106.6
465S26.1Very low26.9Very low103 Ų103136.8 Ų136.872%0.7273%0.729SS**  78.4122.785.866.70000113.8
466G27.2Very low26.8Very low69 Ų69134.6 Ų134.671%0.71173%0.725SS**  cis-133.3159-7.700000111.1
467Q28.2Very low26.9Very low172 Ų172134.4 Ų134.480%0.80473%0.73SS**  cis73.4136.326.2-138-153.50.100111.5
468I27.7Very low26.3Very low122 Ų122134 Ų13463%0.62674%0.741SS**  cis-149.1-178.213.5-5.9177000108
469I27.2Very low26.3Very low142 Ų142132.7 Ų132.773%0.72874%0.74SS**  cis-139.4144.614.8-39.8-101.5000110
470E21.8Very low26.1Very low162 Ų162139.8 Ų139.876%0.75776%0.755SS**  trans-137.6154.9151.9-157.9-172.5-123.200108.3
471N24.5Very low25.9Very low123 Ų123138.2 Ų138.266%0.65876%0.755SS**  trans69.1158163-67.1-42.6000119.8
472T24.5Very low25.6Very low113 Ų113140 Ų14069%0.69377%0.765SS**  cis-173-177.5-26-93.60000107.6
473I23.4Very low25.8Very low147 Ų147137.6 Ų137.675%0.75476%0.758SS**  trans109.7126.2169.7-60.4161.6000111.1
474N26Very low25.6Very low121 Ų121141.2 Ų141.265%0.64777%0.766SS**  cis-155.3153.840.1-134.4-24.1000113.4
475R23.4Very low25.3Very low223 Ų223142.8 Ų142.884%0.84277%0.766SS**  trans32.4134.6145.3-68.4164.7-163.5-145.5-0.9119.8
476S25.7Very low25.3Very low99 Ų99142.7 Ų142.769%0.69277%0.772SS**  cis-178.316039.444.10000114.8
477N27.8Very low25Very low161 Ų161144.9 Ų144.986%0.86178%0.776SS**  trans56.1123.1147.2-61.10.4000123
478G24.9Very low24.8Very low76 Ų76145 Ų14578%0.78478%0.781SS**  104.4106.6128.900000119.1
479P26.7Very low24.5Very low117 Ų117143.7 Ų143.776%0.7678%0.783SS**  trans-103.3146.7174.837.2-31000113.9
480Y25Very low24.3Very low241 Ų241145.7 Ų145.795%0.94579%0.791SS**  trans-164.4152.8153.8-101.3-64.2000113.7
481A25.4Very low24.3Very low94 Ų94143.1 Ų143.178%0.77779%0.791SS**  trans63.597.6153.800000121.1
482N20.8Very low24.7Very low160 Ų160142.4 Ų142.486%0.85679%0.794SS**  trans-93.9171.4134.8-111-26000108.1
483P31.7Very low24.7Very low99 Ų99142.4 Ų142.464%0.64380%0.798SS**  cis-131.7-166.2-34.837.1-19.6000111
484W22.2Very low24.8Very low254 Ų254140.1 Ų140.196%0.96280%0.795SS**  -174.8168.4128-10640.7000113
485K21.5Very low24.9Very low201 Ų201140.7 Ų140.787%0.87480%0.803SS**  trans-97.4149-173-56172.6-179.8177.30112.9
486A25.2Very low25Very low101 Ų101134.2 Ų134.284%0.83579%0.791SS**  trans-155148.3137.500000110
487S20.9Very low25Very low114 Ų114136.3 Ų136.380%0.79779%0.794SS**  trans-117.1154.1176.6-53.50000110.1
488L24.7Very low25Very low174 Ų174136.4 Ų136.491%0.91179%0.789SS**  -169.6161127.2-103.1164000111.9
489S20.9Very low25.1Very low95 Ų95138.2 Ų138.266%0.66479%0.79SS**  trans-95.8159-173.652.90000113.4
490M23.2Very low25.3Very low184 Ų184139.2 Ų139.291%0.90679%0.794SS**  178160.5119.9-96.5179.184.600113.2
491S21.6Very low25.7Very low108 Ų108133.3 Ų133.376%0.75579%0.785SS**  trans-168.6167.8-179.955.80000109.3
492P34Very low25.9Very low109 Ų109133.5 Ų133.571%0.70878%0.78SS**  cis-130.2-171.6-16.837.5-19.3000113.8
493S24.4Very low26.3Very low112 Ų112133.2 Ų133.278%0.78378%0.778SS**  trans73.1148.7155.8-59.80000119.4
494S25.5Very low26.9Very low99 Ų99134 Ų13469%0.69278%0.783SS**  cis-171.8-179.3-14.652.60000110.6
495V26.9Very low27.8Very low133 Ų133127.2 Ų127.281%0.80677%0.771SS**  trans75.2134.4163.71730000116.5
496S26.2Very low28Very low87 Ų87123 Ų12361%0.60877%0.767SS**  cis-170.5152.6-9.2-1070000114.5
497L25.7Very low28.2Very low143 Ų143126.6 Ų126.675%0.74977%0.767SS**  trans62.9161.1142.8-58.8168000119
498Q27.3Very low28.7Very low163 Ų163126.5 Ų126.576%0.76276%0.761SS**  cis-158.7157.31.5-139.9158.916.500113.1
499S28.2Very low28.8Very low115 Ų115127.8 Ų127.880%0.80476%0.76SS**  177.2127.7128.1380000113.6
500V30Very low29.3Very low138 Ų138128.4 Ų128.484%0.83676%0.761SS**  trans-155.7137.6170.5-177.20000109.7
501P34.1Very low29.6Very low117 Ų117125 Ų12576%0.7675%0.751SS**  trans-146.7169148.438.1-22.6000115
502S27.8Very low29.8Very low97 Ų97126.6 Ų126.668%0.67875%0.751SS**  cis-170.3119.8-38.1-97.10000112.4
503I30.3Very low29.7Very low155 Ų155128.7 Ų128.780%0.79576%0.755SS**  trans72.3134136.5-60.9170.9000120.7
504P44.5Very low29.7Very low115 Ų115129.7 Ų129.775%0.74775%0.751SS**  trans-100-138.9171.443.1-34.9000110.7
505P41Very low29.9Very low112 Ų112132.3 Ų132.373%0.72775%0.752SS**  cis-135.8-173.61.342.4-22000116.9
506S25.1Very low30.1Very low113 Ų113131 Ų13179%0.7975%0.748SS**  137.5126.2124.968.30000119.3
507E29.7Very low30.1Very low175 Ų175134.5 Ų134.582%0.81876%0.755SS**  trans-178.3163.9161.1-93-136.1-111.100107.5
508T30.7Very low30.4Very low112 Ų112133.3 Ų133.369%0.68776%0.758SS**  cis-157.5176.7-36.727.10000108.6
509K28Very low30.3Very low201 Ų201130.5 Ų130.587%0.87476%0.757SS**  trans-149160.8169.3-75.8-169.3175.8-178.90110.2
510P32.1Very low30.1Very low108 Ų108132.9 Ų132.970%0.70176%0.76SS**  -155.6154.5104.740.4-23000118.1
511T28.4Very low30.1Very low113 Ų113132.1 Ų132.169%0.69376%0.756SS**  trans47.2153.2140.560.10000122.9
512N26.5Very low29.6Very low141 Ų141131.2 Ų131.275%0.75475%0.752SS**  cis-162.1165.2-9.1-96.6-12.5000106.9
513I30.6Very low29.6Very low153 Ų153136.4 Ų136.479%0.78576%0.763SS**  -171.6157.577-82.1175.6000109.7
514L25.2Very low29.5Very low134 Ų134135.8 Ų135.870%0.70276%0.761SS**  trans-22.8149.9165.9-77.749.8000116.4
515H30.4Very low28.7Very low154 Ų154139.9 Ų139.971%0.71377%0.77SS**  cis-161.5-177.328.3-127.6-15.9000109.8
516S30.5Very low28Very low105 Ų105139 Ų13973%0.73477%0.766SS**  cis-152.9-160.23.351.30000111.5
517H27.1Very low28.1Very low161 Ų161141.1 Ų141.175%0.74577%0.769SS**  trans-95.6146.7-166.8-60.5-98.4000116.5
518S30.2Very low28Very low117 Ų117139.5 Ų139.582%0.81877%0.771SS**  -157.3152.9117.153.80000111.1
519S26.2Very low27.8Very low105 Ų105139.6 Ų139.673%0.73477%0.773SS**  trans-168.6168.7-168-68.80000108.5
520L24.6Very low27.9Very low164 Ų164137.6 Ų137.686%0.85977%0.772SS**  cis-112-160.97.8-73.9164.3000109.2
521T29.2Very low27.7Very low123 Ų123138.1 Ų138.176%0.75577%0.769SS**  cis-149.3156.421.3460000112.9
522S23.7Very low27.6Very low98 Ų98141 Ų14169%0.68578%0.775SS**  trans-89.2140.8173.852.80000112.1
523F28.1Very low27.9Very low205 Ų205138.6 Ų138.690%0.89978%0.775SS**  trans-116.7138.2153.6-94.8-89.8000109.9
524N28.8Very low28.1Very low143 Ų143138.9 Ų138.977%0.76578%0.776SS**  trans-82.8151.9-167.9-71.7-29.8000112.9S526N524-S526 PolarHBondContact O-N 2.74Å
525Q26.6Very low28.4Very low200 Ų200139.7 Ų139.794%0.93578%0.776SS**  trans-70.6111.8159.9-69176.8-56.400109.7
526S25.5Very low28.8Very low93 Ų93140.1 Ų140.165%0.6578%0.778SS**  trans-159.1157.3161.9-64.30000107.7N524N524-S526 PolarHBondContact O-N 2.74Å
527D27.8Very low29.5Very low158 Ų158137.8 Ų137.885%0.84576%0.76SS**  trans57.663.2168.1-53.3-25.4000117.9P529D527-P529 WeakPolarHBondContact O-CD 3.48Å
528V27.1Very low30.8Very low141 Ų141135.8 Ų135.886%0.85575%0.745SS**  trans-98.1105.5150.8-179.40000108.2N530V528-N530 PolarHBondContact O-N 2.86Å
529P28.3Very low32.6Very low114 Ų114131.5 Ų131.574%0.7471%0.714SS**  trans-71.8120.5-178.227.6-33.4000111.2D527 N531D527-P529 WeakPolarHBondContact O-CD 3.48Å; P529-N531 PolarHBondContact O-N 3.09Å
530N29.6Very low35.5Very low159 Ų159127.1 Ų127.185%0.8568%0.683SS**  trans-71.890.5176179.320.9000111.1V528V528-N530 PolarHBondContact O-N 2.86Å
531N26.5Very low38.7Very low120 Ų120119.5 Ų119.564%0.64264%0.644SS**  trans-158.2113.5167.9-107-32.8000114.9P529 A533P529-N531 PolarHBondContact O-N 3.09Å; N531-A533 VanDerWaalsContact C-N 3.29Å; N531-A533 PolarHBondContact O-N 2.84Å
532Q28.2Very low41.9Very low172 Ų172113.7 Ų113.780%0.80461%0.608SS**  trans5318.4133.3-59.1-176.5-9.100120.4I534Q532-I534 PolarHBondContact O-N 2.82Å
533A31.5Very low45.2Very low91 Ų91114.5 Ų114.575%0.75260%0.596SS**  trans-88.418.2-179.700000115.8N531 H535N531-A533 VanDerWaalsContact C-N 3.29Å; N531-A533 PolarHBondContact O-N 2.84Å; A533-H535 PolarHBondContact O-N 2.84Å
534I35.8Very low48.3Very low159 Ų159107.3 Ų107.382%0.81557%0.567SS**  trans-80.753.2176-49.1172.6000110Q532Q532-I534 PolarHBondContact O-N 2.82Å
535H30Very low51.3Low151 Ų151101.5 Ų101.570%0.69954%0.536SS*.  trans-139.371.5-172.3-81.7-42000111.5A533A533-H535 PolarHBondContact O-N 2.84Å
536Q39.7Very low54.1Low164 Ų16493.4 Ų93.477%0.76651%0.507SS*.SBendtrans178.9-16.2144.5-99.7157.835.800114.9R538Q536-R538 PolarHBondContact O-N 2.87Å
537T44.5Very low57.2Low55 Ų5592 Ų9234%0.33749%0.492SS..  trans-76.469.4172.155.70000111.1T539T537-T539 PolarHBondContact O-N 3Å
538R54.6Low60.3Low119 Ų11984.5 Ų84.545%0.44945%0.452SS..  trans-77105.4-179-66-171-178.3-173.1-1.4111Q536 N602Q536-R538 PolarHBondContact O-N 2.87Å; R538-N602 PolarHBondContact NH1-O 2.82Å
539T67.7Low63.6Low27 Ų2778 Ų7817%0.16641%0.412CS..  trans-122.599.5173.849.70000107.5T537 N843 Y850 Y852T537-T539 PolarHBondContact O-N 3Å; T539-N843 WeakPolarHBondContact CG2-ND2 3.49Å; T539-Y850 HydrophobicContact CG2-CD1 4.42Å; T539-Y850 HydrophobicContact CG2-CD2 4.24Å; T539-Y850 HydrophobicContact CG2-CE1 4.43Å; T539-Y850 HydrophobicContact CG2-CE2 4.26Å; T539-Y850 HydrophobicContact CG2-CG 4.32Å; T539-Y852 VanDerWaalsContact CB-OH 3.31Å; T539-Y852 WeakPolarHBondContact CB-OH 3.33Å; T539-Y852 VanDerWaalsContact CG2-OH 3.3Å; T539-Y852 WeakPolarHBondContact CG2-OH 3.42Å
540N88.5Confident66.8Low14 Ų1472.6 Ų72.68%0.07538%0.377CS..  trans-97.7139.5-175.2-45.9-9.4000110.4Q556 L600 Q603 Q606 Y852N540-Q556 PolarHBondContact O-NE2 2.88Å; N540-L600 HydrophobicContact CB-CD2 4.01Å; N540-L600 PolarHBondContact ND2-O 2.84Å; N540-Q603 VanDerWaalsContact ND2-CG 3.26Å; N540-Q603 WeakPolarHBondContact ND2-CG 3.32Å; N540-Q603 PolarHBondContact OD1-NE2 3.2Å; N540-Q606 PolarHBondContact ND2-OE1 2.65Å; N540-Y852 WeakPolarHBondContact O-CE1 3.3Å
541G92.2Very high69.9Low4 Ų465.1 Ų65.14%0.04134%0.337CS..  trans-73.2173.2166.600000112.2Q606 D854G541-Q606 PolarHBondContact O-NE2 3.01Å; G541-D854 CarbonylContact C-O 3.51Å; G541-D854 WeakPolarHBondContact CA-O 3.35Å
542L95Very high73.3Confident0 Ų059.6 Ų59.60%031%0.307CS..  trans-124120.8172.9-72.7174.6000109.4N552 V555 Q556 L596 L600 L610 D854 E855L542-N552 HydrophobicContact CB-CB 3.93Å; L542-N552 HydrophobicContact CD1-CB 4.45Å; L542-N552 PolarHBondContact O-ND2 3.27Å; L542-V555 HydrophobicContact CD1-CB 3.82Å; L542-V555 HydrophobicContact CD1-CG1 3.65Å; L542-Q556 HydrophobicContact CD1-CG 4.41Å; L542-L596 HydrophobicContact CD2-CD1 3.9Å; L542-L600 HydrophobicContact CD2-CD2 3.75Å; L542-L600 HydrophobicContact CD2-CG 4.3Å; L542-L600 HydrophobicContact CG-CD2 4.09Å; L542-L610 HydrophobicContact CB-CD2 4.15Å; L542-L610 HydrophobicContact CD1-CD1 4.38Å; L542-L610 HydrophobicContact CD2-CD1 4.34Å; L542-L610 HydrophobicContact CD2-CD2 4.27Å; L542-D854 PolarHBondContact N-O 3.01Å; L542-D854 CarbonylContact O-C 3.35Å; L542-D854 WeakPolarHBondContact O-CA 3.32Å; L542-D854 WeakPolarHBondContact O-CB 3.29Å; L542-E855 PolarHBondContact O-N 3.49Å
543R94.1Very high76.6Confident115 Ų11551.5 Ų51.543%0.43427%0.27SS..  trans-60.7140.9-175.8-177.8169.9178-167.62.2112.9L545 N552 D607 L610 E855R543-L545 HydrophobicContact CB-CD2 4.5Å; R543-L545 HydrophobicContact CG-CD2 4.38Å; R543-L545 PolarHBondContact O-N 3.33Å; R543-N552 PolarHBondContact O-ND2 3.22Å; R543-D607 VanDerWaalsContact CD-OD2 3.3Å; R543-D607 WeakPolarHBondContact CD-OD2 3.37Å; R543-D607 IonicContact NH1-OD2 2.76Å; R543-L610 WeakPolarHBondContact O-CD2 3.4Å; R543-E855 HydrophobicContact CB-CB 4.46Å; R543-E855 WeakPolarHBondContact CG-OE2 3.1Å
544N93.1Very high79.8Confident54 Ų5447.2 Ų47.229%0.28923%0.234SC..  trans-72.5123.2173.3-157.4-52.1000110.4G546 N547 T548 D854N544-G546 VanDerWaalsContact C-N 3.33Å; N544-G546 WeakPolarHBondContact OD1-CA 3.37Å; N544-G546 PolarHBondContact OD1-N 2.94Å; N544-N547 PolarHBondContact OD1-N 3Å; N544-T548 PolarHBondContact OD1-N 3.05Å; N544-T548 VanDerWaalsContact OD1-N 3.12Å; N544-D854 HydrophobicContact CB-CB 4.23Å; N544-D854 WeakPolarHBondContact CB-OD2 3.44Å; N544-D854 PolarHBondContact ND2-OD2 2.92Å
545L91Very high82.7Confident21 Ų2139.7 Ų39.711%0.1120%0.196CC..SBendtrans-98.923.5-179.8-48.8-174000112.3R543 T548 L610 Y611 R614R543-L545 HydrophobicContact CB-CD2 4.5Å; R543-L545 HydrophobicContact CG-CD2 4.38Å; R543-L545 PolarHBondContact O-N 3.33Å; L545-T548 HydrophobicContact CB-CG2 3.81Å; L545-T548 PolarHBondContact N-OG1 2.91Å; L545-L610 HydrophobicContact CD1-CD2 4.01Å; L545-L610 HydrophobicContact CD1-CG 3.91Å; L545-L610 HydrophobicContact CD2-CD2 4.34Å; L545-L610 HydrophobicContact CG-CD2 4.06Å; L545-Y611 HydrophobicContact CD1-CD1 3.73Å; L545-Y611 HydrophobicContact CD1-CE1 3.86Å; L545-Y611 HydrophobicContact CD1-CG 4.07Å; L545-Y611 HydrophobicContact CD2-CE1 3.94Å; L545-Y611 HydrophobicContact CD2-CE2 3.95Å; L545-Y611 HydrophobicContact CG-CE1 4.34Å; L545-R614 PolarHBondContact O-NH1 3.14Å; L545-R614 VanDerWaalsContact O-NH1 3.08Å
546G86.7Confident85.9Confident31 Ų3132.8 Ų32.832%0.3216%0.164SC..SBendtrans93.397.4-173.900000111.3N544 T548N544-G546 VanDerWaalsContact C-N 3.33Å; N544-G546 WeakPolarHBondContact OD1-CA 3.37Å; N544-G546 PolarHBondContact OD1-N 2.94Å; G546-T548 PolarHBondContact O-N 2.91Å
547N89.8Confident88.6Confident63 Ų6325 Ų2534%0.33713%0.127SC..SBendtrans56.924.8-175.8-73.1-38.8000114.8N544 Y550 N627 Q629N544-N547 PolarHBondContact OD1-N 3Å; N547-Y550 WeakPolarHBondContact O-CD1 3.44Å; N547-Y550 VanDerWaalsContact O-CE1 3.24Å; N547-Y550 WeakPolarHBondContact O-CE1 3.36Å; N547-N627 WeakPolarHBondContact CB-O 3.42Å; N547-N627 PolarHBondContact ND2-O 3.16Å; N547-Q629 HydrophobicContact CB-CG 3.99Å; N547-Q629 PolarHBondContact OD1-NE2 3.13Å
548T93.5Very high91.1Very high1 Ų122.3 Ų22.31%0.00611%0.111CC..THydrogen-bonded Turntrans-93.412-178.167.90000114.9N544 L545 G546 Y550 I551 N552 R614N544-T548 PolarHBondContact OD1-N 3.05Å; N544-T548 VanDerWaalsContact OD1-N 3.12Å; L545-T548 HydrophobicContact CB-CG2 3.81Å; L545-T548 PolarHBondContact N-OG1 2.91Å; G546-T548 PolarHBondContact O-N 2.91Å; T548-Y550 PolarHBondContact O-N 3.28Å; T548-Y550 VanDerWaalsContact O-N 3.16Å; T548-I551 HydrophobicContact CG2-CD1 4.29Å; T548-I551 WeakPolarHBondContact O-CA 3.22Å; T548-I551 WeakPolarHBondContact O-CB 3.45Å; T548-I551 PolarHBondContact O-N 2.86Å; T548-N552 PolarHBondContact O-N 3Å; T548-R614 VanDerWaalsContact CG2-NH1 3.33Å
549C95.3Very high93.1Very high3 Ų316.8 Ų16.82%0.029%0.091CC..Hα-helixtrans-58.2-28.6177.551.40000112.6I551 N552 S553 H836 D854C549-I551 PolarHBondContact O-N 3.37Å; C549-N552 PolarHBondContact O-N 3.41Å; C549-S553 VanDerWaalsContact O-CB 3.23Å; C549-S553 WeakPolarHBondContact O-CB 3.32Å; C549-S553 PolarHBondContact O-N 3.4Å; C549-S553 PolarHBondContact O-OG 2.83Å; C549-H836 VanDerWaalsContact CB-CE1 3.49Å; C549-H836 WeakPolarHBondContact CB-CE1 3.33Å; C549-H836 WeakPolarHBondContact CB-ND1 3.27Å; C549-H836 PolarHBondContact SG-ND1 3.33Å; C549-D854 WeakPolarHBondContact CA-OD1 3.32Å
550Y95.3Very high94.4Very high2 Ų216 Ų161%0.0089%0.085CC..Hα-helixtrans-63.6-36.1171.175.8-93.2000113.1N547 T548 V554 F624 Q630 F635N547-Y550 WeakPolarHBondContact O-CD1 3.44Å; N547-Y550 VanDerWaalsContact O-CE1 3.24Å; N547-Y550 WeakPolarHBondContact O-CE1 3.36Å; T548-Y550 PolarHBondContact O-N 3.28Å; T548-Y550 VanDerWaalsContact O-N 3.16Å; Y550-V554 WeakPolarHBondContact O-CG2 3.33Å; Y550-V554 PolarHBondContact O-N 3.15Å; Y550-F624 AromaticContact CE2-CD1 3.69Å; Y550-F624 HydrophobicContact CE2-CD1 3.69Å; Y550-F624 HydrophobicContact CE2-CE1 4.11Å; Y550-F624 HydrophobicContact CE2-CG 4.49Å; Y550-F624 AromaticContact CZ-CD1 4Å; Y550-Q630 WeakPolarHBondContact CB-O 3.45Å; Y550-Q630 HydrophobicContact CD1-CB 4.05Å; Y550-Q630 HydrophobicContact CD2-CB 4.14Å; Y550-Q630 HydrophobicContact CE1-CB 3.78Å; Y550-Q630 HydrophobicContact CE1-CG 3.93Å; Y550-Q630 HydrophobicContact CE2-CB 3.87Å; Y550-Q630 HydrophobicContact CE2-CG 4.39Å; Y550-Q630 HydrophobicContact CG-CB 4.24Å; Y550-F635 HydrophobicContact CD2-CB 3.72Å; Y550-F635 HydrophobicContact CD2-CD1 4.23Å; Y550-F635 AromaticContact CD2-CG 3.94Å; Y550-F635 HydrophobicContact CD2-CG 3.94Å; Y550-F635 HydrophobicContact CE2-CB 3.92Å; Y550-F635 HydrophobicContact CE2-CD2 4.25Å; Y550-F635 AromaticContact CE2-CG 3.94Å; Y550-F635 HydrophobicContact CE2-CG 3.94Å
551I96Very high94.8Very high1 Ų115.3 Ų15.31%0.0058%0.082CC..Hα-helixtrans-70.9-51.9173.5-58.4-177.8000109.2T548 C549 S553 V554 V555 F613 R614 F635T548-I551 HydrophobicContact CG2-CD1 4.29Å; T548-I551 WeakPolarHBondContact O-CA 3.22Å; T548-I551 WeakPolarHBondContact O-CB 3.45Å; T548-I551 PolarHBondContact O-N 2.86Å; C549-I551 PolarHBondContact O-N 3.37Å; I551-S553 VanDerWaalsContact C-N 3.34Å; I551-S553 PolarHBondContact O-N 2.89Å; I551-V554 PolarHBondContact O-N 3.04Å; I551-V555 HydrophobicContact CG2-CG2 4.19Å; I551-V555 WeakPolarHBondContact O-CG2 3.49Å; I551-V555 PolarHBondContact O-N 2.96Å; I551-F613 HydrophobicContact CG2-CD1 4.41Å; I551-F613 HydrophobicContact CG2-CE1 4Å; I551-R614 HydrophobicContact CD1-CG 4.15Å; I551-F635 HydrophobicContact CB-CD1 4.43Å; I551-F635 HydrophobicContact CB-CE1 4.03Å; I551-F635 HydrophobicContact CB-CZ 4.38Å; I551-F635 HydrophobicContact CG1-CD1 4.29Å; I551-F635 HydrophobicContact CG1-CE1 4.14Å; I551-F635 HydrophobicContact CG1-CE2 4.46Å; I551-F635 HydrophobicContact CG1-CZ 4.24Å; I551-F635 HydrophobicContact CG2-CE1 3.77Å; I551-F635 HydrophobicContact CG2-CZ 3.84Å
552N96.6Very high94.8Very high4 Ų420.4 Ų20.42%0.02110%0.099CC..Hα-helixtrans-58.3-47.5-174.4-65.9-15.1000110.7L542 R543 T548 C549 V555 Q556 D854L542-N552 HydrophobicContact CB-CB 3.93Å; L542-N552 HydrophobicContact CD1-CB 4.45Å; L542-N552 PolarHBondContact O-ND2 3.27Å; R543-N552 PolarHBondContact O-ND2 3.22Å; T548-N552 PolarHBondContact O-N 3Å; C549-N552 PolarHBondContact O-N 3.41Å; N552-V555 PolarHBondContact O-N 2.85Å; N552-Q556 VanDerWaalsContact O-CG 3.27Å; N552-Q556 WeakPolarHBondContact O-CG 3.4Å; N552-Q556 PolarHBondContact O-N 2.91Å; N552-D854 PolarHBondContact ND2-OD1 2.85Å
553S97.7Very high94.7Very high3 Ų321.7 Ų21.72%0.02111%0.11CC..Hα-helixtrans-60.4-45.4176.8-81.80000113.7C549 I551 Q556 S557 Y837 T838 T839C549-S553 VanDerWaalsContact O-CB 3.23Å; C549-S553 WeakPolarHBondContact O-CB 3.32Å; C549-S553 PolarHBondContact O-N 3.4Å; C549-S553 PolarHBondContact O-OG 2.83Å; I551-S553 VanDerWaalsContact C-N 3.34Å; I551-S553 PolarHBondContact O-N 2.89Å; S553-Q556 PolarHBondContact O-N 3.04Å; S553-S557 PolarHBondContact O-N 3.13Å; S553-S557 PolarHBondContact O-OG 3.35Å; S553-Y837 VanDerWaalsContact OG-C 3.31Å; S553-Y837 PolarHBondContact OG-O 2.99Å; S553-T838 PolarHBondContact OG-N 2.67Å; S553-T839 WeakPolarHBondContact CA-OG1 3.31Å; S553-T839 WeakPolarHBondContact CB-OG1 3.41Å; S553-T839 PolarHBondContact O-OG1 2.72Å; S553-T839 PolarHBondContact OG-OG1 2.9Å
554V98.1Very high94.8Very high0 Ų016.2 Ų16.20%09%0.089CC..Hα-helixtrans-63.6-43.3177.1164.40000111.9Y550 I551 Q556 S557 L558 S632 F635 L636 L639 L826Y550-V554 WeakPolarHBondContact O-CG2 3.33Å; Y550-V554 PolarHBondContact O-N 3.15Å; I551-V554 PolarHBondContact O-N 3.04Å; V554-Q556 VanDerWaalsContact C-N 3.31Å; V554-Q556 PolarHBondContact O-N 2.86Å; V554-S557 PolarHBondContact O-N 3.45Å; V554-L558 HydrophobicContact CG1-CD1 4.2Å; V554-L558 WeakPolarHBondContact O-CG 3.27Å; V554-L558 PolarHBondContact O-N 3.36Å; V554-L558 VanDerWaalsContact O-N 3.07Å; V554-S632 VanDerWaalsContact CG2-O 3.31Å; V554-S632 WeakPolarHBondContact CG2-O 3.16Å; V554-F635 HydrophobicContact CB-CD1 3.74Å; V554-F635 HydrophobicContact CB-CE1 3.95Å; V554-F635 HydrophobicContact CG1-CD1 3.76Å; V554-F635 HydrophobicContact CG1-CE1 3.77Å; V554-F635 HydrophobicContact CG2-CD1 3.98Å; V554-L636 HydrophobicContact CG1-CB 4.11Å; V554-L636 HydrophobicContact CG1-CD1 3.9Å; V554-L636 HydrophobicContact CG2-CB 3.97Å; V554-L639 HydrophobicContact CG1-CD2 3.99Å; V554-L826 HydrophobicContact CG2-CD1 3.74Å
555V97.2Very high94.8Very high2 Ų214 Ų141%0.0128%0.078CC..Hα-helixtrans-63.9-37.6177175.20000110.8L542 I551 N552 L558 S559 L596 L600 F613L542-V555 HydrophobicContact CD1-CB 3.82Å; L542-V555 HydrophobicContact CD1-CG1 3.65Å; I551-V555 HydrophobicContact CG2-CG2 4.19Å; I551-V555 WeakPolarHBondContact O-CG2 3.49Å; I551-V555 PolarHBondContact O-N 2.96Å; N552-V555 PolarHBondContact O-N 2.85Å; V555-L558 PolarHBondContact O-N 2.89Å; V555-S559 VanDerWaalsContact O-CB 3.25Å; V555-S559 WeakPolarHBondContact O-CB 3.33Å; V555-S559 PolarHBondContact O-N 3.2Å; V555-S559 PolarHBondContact O-OG 3.28Å; V555-L596 HydrophobicContact CG1-CD2 3.96Å; V555-L596 HydrophobicContact CG1-CG 4.37Å; V555-L596 HydrophobicContact CG2-CD2 4.38Å; V555-L600 HydrophobicContact CG1-CD1 4.1Å; V555-F613 HydrophobicContact CG2-CE1 3.74Å; V555-F613 HydrophobicContact CG2-CZ 4.32Å
556Q96.5Very high94.8Very high5 Ų518 Ų182%0.02310%0.096CC..Hα-helixtrans-68.5-36.7176.2-66.4-66.514.400113.5N540 L542 N552 S553 V554 S559 H560 T839 C841 Y852N540-Q556 PolarHBondContact O-NE2 2.88Å; L542-Q556 HydrophobicContact CD1-CG 4.41Å; N552-Q556 VanDerWaalsContact O-CG 3.27Å; N552-Q556 WeakPolarHBondContact O-CG 3.4Å; N552-Q556 PolarHBondContact O-N 2.91Å; S553-Q556 PolarHBondContact O-N 3.04Å; V554-Q556 VanDerWaalsContact C-N 3.31Å; V554-Q556 PolarHBondContact O-N 2.86Å; Q556-S559 WeakPolarHBondContact CA-OG 3.43Å; Q556-S559 PolarHBondContact O-OG 3.06Å; Q556-S559 PolarHBondContact OE1-OG 3.09Å; Q556-H560 PolarHBondContact O-ND1 3.37Å; Q556-T839 HydrophobicContact CB-CG2 4.24Å; Q556-C841 PolarHBondContact O-SG 3.24Å; Q556-C841 VanDerWaalsContact O-SG 3.34Å; Q556-Y852 HydrophobicContact CB-CG 4.44Å; Q556-Y852 VanDerWaalsContact CD-CD1 3.48Å; Q556-Y852 HydrophobicContact CG-CD1 4.08Å; Q556-Y852 HydrophobicContact CG-CG 4.1Å; Q556-Y852 VanDerWaalsContact NE2-CD1 3.32Å
557S97.6Very high95.1Very high0 Ų017.3 Ų17.30%08%0.084CC..Hα-helixtrans-63.1-45.5172.1-65.60000111.6S553 V554 H560 T561 S824 T839 F874S553-S557 PolarHBondContact O-N 3.13Å; S553-S557 PolarHBondContact O-OG 3.35Å; V554-S557 PolarHBondContact O-N 3.45Å; S557-H560 PolarHBondContact O-N 3.1Å; S557-T561 PolarHBondContact O-N 2.93Å; S557-S824 WeakPolarHBondContact CB-OG 3.29Å; S557-S824 PolarHBondContact OG-OG 2.69Å; S557-T839 WeakPolarHBondContact OG-CG2 3.5Å; S557-F874 VanDerWaalsContact CB-CE2 3.49Å; S557-F874 VanDerWaalsContact OG-CE2 3.3Å; S557-F874 WeakPolarHBondContact OG-CE2 3.31Å
558L97.4Very high95.3Very high0 Ų014.4 Ų14.40%07%0.068CC..Hα-helixtrans-73.8-28.5-179-63.1179.3000113.3V554 V555 H560 T561 L564 F593 L636 L639 L640 F696 F874V554-L558 HydrophobicContact CG1-CD1 4.2Å; V554-L558 WeakPolarHBondContact O-CG 3.27Å; V554-L558 PolarHBondContact O-N 3.36Å; V554-L558 VanDerWaalsContact O-N 3.07Å; V555-L558 PolarHBondContact O-N 2.89Å; L558-H560 PolarHBondContact O-N 2.74Å; L558-T561 WeakPolarHBondContact O-CB 3.26Å; L558-T561 PolarHBondContact O-N 3.37Å; L558-T561 VanDerWaalsContact O-N 3.13Å; L558-L564 HydrophobicContact CB-CD1 4.26Å; L558-L564 HydrophobicContact CD2-CD1 4.1Å; L558-F593 HydrophobicContact CB-CE2 4.35Å; L558-F593 HydrophobicContact CB-CZ 3.99Å; L558-F593 HydrophobicContact CD1-CE2 4.43Å; L558-L636 HydrophobicContact CD1-CD1 4.18Å; L558-L636 HydrophobicContact CD2-CD1 4.2Å; L558-L636 HydrophobicContact CG-CD1 4.32Å; L558-L639 HydrophobicContact CD1-CD2 3.73Å; L558-L639 HydrophobicContact CD1-CG 4.25Å; L558-L640 HydrophobicContact CD1-CD2 4.2Å; L558-L640 HydrophobicContact CD2-CD2 4.03Å; L558-F696 HydrophobicContact CD2-CE1 4.45Å; L558-F696 HydrophobicContact CD2-CZ 4.01Å; L558-F874 HydrophobicContact CD2-CE1 4.3Å
559S95.1Very high95.2Very high3 Ų317.1 Ų17.12%0.0218%0.083CC..THydrogen-bonded Turntrans-68.8-9173.375.60000113.6V555 Q556 V565 Y601V555-S559 VanDerWaalsContact O-CB 3.25Å; V555-S559 WeakPolarHBondContact O-CB 3.33Å; V555-S559 PolarHBondContact O-N 3.2Å; V555-S559 PolarHBondContact O-OG 3.28Å; Q556-S559 WeakPolarHBondContact CA-OG 3.43Å; Q556-S559 PolarHBondContact O-OG 3.06Å; Q556-S559 PolarHBondContact OE1-OG 3.09Å; S559-V565 WeakPolarHBondContact O-CG2 3.39Å; S559-Y601 WeakPolarHBondContact O-CE2 3.33Å; S559-Y601 PolarHBondContact O-OH 3.1Å
560H95.7Very high95Very high10 Ų1021.4 Ų21.45%0.04611%0.105CC..THydrogen-bonded Turntrans-109.2-1.4173.1-67.375.1000113.1Q556 S557 L558 R562 Y823 C841 R842 Y852Q556-H560 PolarHBondContact O-ND1 3.37Å; S557-H560 PolarHBondContact O-N 3.1Å; L558-H560 PolarHBondContact O-N 2.74Å; H560-R562 PolarHBondContact O-N 2.76Å; H560-R562 VanDerWaalsContact O-N 3.09Å; H560-Y823 HydrophobicContact CB-CD2 4.11Å; H560-Y823 HydrophobicContact CB-CE2 4.41Å; H560-Y823 WeakPolarHBondContact O-CD2 3.31Å; H560-C841 HydrophobicContact CB-CB 4.13Å; H560-C841 VanDerWaalsContact CD2-CB 3.47Å; H560-C841 WeakPolarHBondContact CD2-CB 3.44Å; H560-C841 VanDerWaalsContact CG-CB 3.48Å; H560-R842 PolarHBondContact CD2-O 2.94Å; H560-Y852 AromaticContact CE1-CE2 3.79Å; H560-Y852 AromaticContact CE1-CZ 3.54Å; H560-Y852 PolarHBondContact CE1-OH 3.39Å; H560-Y852 AromaticContact NE2-CZ 3.8Å; H560-Y852 PolarHBondContact NE2-OH 2.69Å
561T96.3Very high94.7Very high0 Ų022.2 Ų22.20%011%0.114CC..  trans-72.4100.3169.9-52.20000109.5S557 L558 A563 L564 V565 F696 Y775 Y823S557-T561 PolarHBondContact O-N 2.93Å; L558-T561 WeakPolarHBondContact O-CB 3.26Å; L558-T561 PolarHBondContact O-N 3.37Å; L558-T561 VanDerWaalsContact O-N 3.13Å; T561-A563 VanDerWaalsContact C-N 3.3Å; T561-A563 PolarHBondContact O-N 3.4Å; T561-A563 VanDerWaalsContact O-N 3.11Å; T561-L564 HydrophobicContact CG2-CB 4.42Å; T561-L564 HydrophobicContact CG2-CD1 4.33Å; T561-L564 HydrophobicContact CG2-CG 3.98Å; T561-L564 PolarHBondContact O-N 2.97Å; T561-V565 WeakPolarHBondContact O-CG2 3.45Å; T561-V565 PolarHBondContact O-N 3.27Å; T561-F696 HydrophobicContact CG2-CE1 4.32Å; T561-F696 HydrophobicContact CG2-CE2 4.45Å; T561-F696 HydrophobicContact CG2-CZ 3.7Å; T561-Y775 HydrophobicContact CG2-CD1 3.66Å; T561-Y775 HydrophobicContact CG2-CD2 3.95Å; T561-Y775 HydrophobicContact CG2-CE1 3.66Å; T561-Y775 HydrophobicContact CG2-CE2 3.98Å; T561-Y775 HydrophobicContact CG2-CG 3.79Å; T561-Y823 PolarHBondContact OG1-OH 3.43Å
562R93.5Very high94.3Very high110 Ų11027.3 Ų27.342%0.41514%0.136SC..Hα-helixtrans-45.3-48.3-175.4-73177.3165.3139.5-6.9113.9H560 L564 V565 H566 I844 E876H560-R562 PolarHBondContact O-N 2.76Å; H560-R562 VanDerWaalsContact O-N 3.09Å; R562-L564 VanDerWaalsContact C-N 3.35Å; R562-L564 PolarHBondContact O-N 2.98Å; R562-V565 PolarHBondContact O-N 2.96Å; R562-H566 PolarHBondContact O-CD2 3.22Å; R562-H566 VanDerWaalsContact O-CD2 3.29Å; R562-H566 PolarHBondContact O-N 3.2Å; R562-I844 HydrophobicContact CG-CD1 3.74Å; R562-I844 HydrophobicContact CG-CG1 3.82Å; R562-I844 HydrophobicContact CG-CG2 4.11Å; R562-E876 WeakPolarHBondContact CD-OE1 3.32Å; R562-E876 IonicContact CZ-OE2 2.69Å; R562-E876 IonicContact NE-OE2 2.75Å; R562-E876 IonicContact NH1-OE2 2.68Å; R562-E876 PolarHBondContact NH1-OE2 3.28Å
563A93.1Very high93.8Very high27 Ų2728 Ų2822%0.22314%0.139CC..Hα-helixtrans-61.2-37.8179.600000113.8T561 Y567 Y775T561-A563 VanDerWaalsContact C-N 3.3Å; T561-A563 PolarHBondContact O-N 3.4Å; T561-A563 VanDerWaalsContact O-N 3.11Å; A563-Y567 WeakPolarHBondContact O-CB 3.42Å; A563-Y567 PolarHBondContact O-N 3.06Å; A563-Y775 HydrophobicContact CB-CD2 4.48Å; A563-Y775 HydrophobicContact CB-CE2 3.45Å; A563-Y775 VanDerWaalsContact CB-CE2 3.45Å; A563-Y775 PolarHBondContact N-OH 2.71Å; A563-Y775 VanDerWaalsContact N-OH 3.15Å
564L94.8Very high93.1Very high0 Ų035 Ų350%017%0.172CC..Hα-helixtrans-71.1-42.7175.1-64.8-175000111.4L558 T561 R562 H566 Y567 F568 I691 I692 F696L558-L564 HydrophobicContact CB-CD1 4.26Å; L558-L564 HydrophobicContact CD2-CD1 4.1Å; T561-L564 HydrophobicContact CG2-CB 4.42Å; T561-L564 HydrophobicContact CG2-CD1 4.33Å; T561-L564 HydrophobicContact CG2-CG 3.98Å; T561-L564 PolarHBondContact O-N 2.97Å; R562-L564 VanDerWaalsContact C-N 3.35Å; R562-L564 PolarHBondContact O-N 2.98Å; L564-H566 PolarHBondContact O-N 3.47Å; L564-Y567 PolarHBondContact O-N 3.43Å; L564-F568 HydrophobicContact CB-CD2 4.35Å; L564-F568 HydrophobicContact CB-CE2 4.44Å; L564-F568 HydrophobicContact CD2-CE2 4.23Å; L564-F568 VanDerWaalsContact O-CD2 3.25Å; L564-F568 WeakPolarHBondContact O-CD2 3.45Å; L564-F568 PolarHBondContact O-N 2.89Å; L564-I691 HydrophobicContact CD2-CG1 4.28Å; L564-I691 HydrophobicContact CD2-CG2 4.31Å; L564-I692 HydrophobicContact CD2-CD1 3.95Å; L564-F696 HydrophobicContact CD1-CE2 3.86Å; L564-F696 HydrophobicContact CD1-CZ 3.89Å; L564-F696 HydrophobicContact CD2-CE2 4.16Å; L564-F696 HydrophobicContact CG-CE2 4.07Å; L564-F696 HydrophobicContact CG-CZ 4.32Å
565V93.2Very high92Very high9 Ų945.3 Ų45.36%0.05521%0.211CC..Hα-helixtrans-55.3-51.3178.2175.90000110.6S559 T561 R562 L569 Y601 I844S559-V565 WeakPolarHBondContact O-CG2 3.39Å; T561-V565 WeakPolarHBondContact O-CG2 3.45Å; T561-V565 PolarHBondContact O-N 3.27Å; R562-V565 PolarHBondContact O-N 2.96Å; V565-L569 HydrophobicContact CG1-CD1 3.72Å; V565-L569 HydrophobicContact CG1-CG 4.47Å; V565-L569 VanDerWaalsContact O-CB 3.25Å; V565-L569 WeakPolarHBondContact O-CB 3.46Å; V565-L569 VanDerWaalsContact O-CG 3.25Å; V565-L569 WeakPolarHBondContact O-CG 3.39Å; V565-L569 PolarHBondContact O-N 3.47Å; V565-Y601 HydrophobicContact CG1-CE1 4.01Å; V565-Y601 HydrophobicContact CG1-CE2 4.15Å; V565-Y601 HydrophobicContact CG2-CE2 4.25Å; V565-I844 HydrophobicContact CG2-CD1 4.06Å
566H91.6Very high90.9Very high105 Ų10547.8 Ų47.849%0.48622%0.222SC..Hα-helixtrans-63.4-50174.7-78.4-69.3000112.3R562 L564 F568 L569 D570R562-H566 PolarHBondContact O-CD2 3.22Å; R562-H566 VanDerWaalsContact O-CD2 3.29Å; R562-H566 PolarHBondContact O-N 3.2Å; L564-H566 PolarHBondContact O-N 3.47Å; H566-F568 VanDerWaalsContact C-N 3.28Å; H566-F568 PolarHBondContact O-N 2.76Å; H566-L569 PolarHBondContact O-N 3.37Å; H566-D570 WeakPolarHBondContact CA-OD2 3.25Å; H566-D570 WeakPolarHBondContact CB-OD2 3.27Å; H566-D570 IonicContact CG-OD2 2.71Å; H566-D570 IonicContact ND1-OD2 2.66Å; H566-D570 PolarHBondContact ND1-OD2 3.07Å; H566-D570 WeakPolarHBondContact O-CB 3.47Å; H566-D570 VanDerWaalsContact O-CG 3.31Å; H566-D570 PolarHBondContact O-N 3.39Å
567Y93.7Very high89.8Confident15 Ų1549.5 Ų49.56%0.05924%0.237CC..Hα-helixtrans-56.1-38.3-176.9-177.3-95.2000114.2A563 L564 F572 H573 Q576 L647 I691A563-Y567 WeakPolarHBondContact O-CB 3.42Å; A563-Y567 PolarHBondContact O-N 3.06Å; L564-Y567 PolarHBondContact O-N 3.43Å; Y567-F572 HydrophobicContact CD2-CB 3.77Å; Y567-F572 HydrophobicContact CE2-CB 3.84Å; Y567-F572 HydrophobicContact CG-CB 4.4Å; Y567-F572 PolarHBondContact O-N 2.95Å; Y567-H573 HydrophobicContact CD1-CB 4.04Å; Y567-H573 HydrophobicContact CE1-CB 3.45Å; Y567-H573 VanDerWaalsContact CE1-CB 3.45Å; Y567-H573 PolarHBondContact O-N 3.01Å; Y567-Q576 PolarHBondContact OH-OE1 3.12Å; Y567-L647 HydrophobicContact CE1-CD1 3.59Å; Y567-L647 HydrophobicContact CE1-CD2 4.36Å; Y567-I691 HydrophobicContact CD1-CB 4.33Å; Y567-I691 HydrophobicContact CD1-CG1 4.37Å; Y567-I691 HydrophobicContact CD1-CG2 3.92Å; Y567-I691 HydrophobicContact CD2-CB 4.05Å; Y567-I691 HydrophobicContact CD2-CD1 4.04Å; Y567-I691 HydrophobicContact CD2-CG1 3.92Å; Y567-I691 HydrophobicContact CE1-CB 4.25Å; Y567-I691 HydrophobicContact CE1-CG2 3.76Å; Y567-I691 HydrophobicContact CE2-CB 3.96Å; Y567-I691 HydrophobicContact CE2-CG1 4.36Å; Y567-I691 HydrophobicContact CE2-CG2 4.38Å; Y567-I691 HydrophobicContact CG-CB 4.22Å; Y567-I691 HydrophobicContact CG-CD1 4.41Å; Y567-I691 HydrophobicContact CG-CG1 3.92Å; Y567-I691 HydrophobicContact CG-CG2 4.3Å
568F93.9Very high88.7Confident3 Ų350 Ų501%0.01324%0.24CC..Hα-helixtrans-83.5-52.4177.1-72.4-65.7000112.7L564 H566 D570 G571 H573 V590 F593 E594 L597 L643 L647L564-F568 HydrophobicContact CB-CD2 4.35Å; L564-F568 HydrophobicContact CB-CE2 4.44Å; L564-F568 HydrophobicContact CD2-CE2 4.23Å; L564-F568 VanDerWaalsContact O-CD2 3.25Å; L564-F568 WeakPolarHBondContact O-CD2 3.45Å; L564-F568 PolarHBondContact O-N 2.89Å; H566-F568 VanDerWaalsContact C-N 3.28Å; H566-F568 PolarHBondContact O-N 2.76Å; F568-D570 VanDerWaalsContact C-N 3.35Å; F568-D570 PolarHBondContact O-N 3.24Å; F568-G571 PolarHBondContact O-N 2.93Å; F568-H573 HydrophobicContact CD1-CB 3.78Å; F568-H573 AromaticContact CD1-CG 3.68Å; F568-H573 AromaticContact CD1-ND1 3.86Å; F568-H573 HydrophobicContact CE1-CB 3.78Å; F568-H573 PolarHBondContact O-ND1 3Å; F568-V590 HydrophobicContact CE1-CG1 4.28Å; F568-F593 AromaticContact CD2-CD1 3.96Å; F568-F593 HydrophobicContact CD2-CD1 3.96Å; F568-F593 AromaticContact CD2-CE1 3.78Å; F568-F593 HydrophobicContact CD2-CE1 3.78Å; F568-F593 AromaticContact CE2-CD1 3.64Å; F568-F593 HydrophobicContact CE2-CD1 3.64Å; F568-F593 AromaticContact CE2-CE1 3.58Å; F568-F593 HydrophobicContact CE2-CE1 3.58Å; F568-F593 AromaticContact CZ-CD1 3.98Å; F568-F593 HydrophobicContact CZ-CD1 3.98Å; F568-F593 HydrophobicContact CZ-CE1 4.36Å; F568-E594 HydrophobicContact CD1-CB 4.05Å; F568-L597 HydrophobicContact CB-CD2 3.83Å; F568-L597 HydrophobicContact CD2-CD2 3.96Å; F568-L597 HydrophobicContact CG-CD2 4.23Å; F568-L643 HydrophobicContact CZ-CD2 4.11Å; F568-L647 HydrophobicContact CZ-CD1 4.24Å
569L91Very high87.8Confident58 Ų5854.7 Ų54.730%0.30427%0.269SS..Hα-helixtrans-69.7-29-174.1-60.8-178.7000113.4V565 H566 G571 L597 S598 Y601V565-L569 HydrophobicContact CG1-CD1 3.72Å; V565-L569 HydrophobicContact CG1-CG 4.47Å; V565-L569 VanDerWaalsContact O-CB 3.25Å; V565-L569 WeakPolarHBondContact O-CB 3.46Å; V565-L569 VanDerWaalsContact O-CG 3.25Å; V565-L569 WeakPolarHBondContact O-CG 3.39Å; V565-L569 PolarHBondContact O-N 3.47Å; H566-L569 PolarHBondContact O-N 3.37Å; L569-G571 PolarHBondContact O-N 3.28Å; L569-L597 HydrophobicContact CD2-CG 4.45Å; L569-S598 WeakPolarHBondContact CD2-OG 3.23Å; L569-Y601 HydrophobicContact CD1-CD1 4.01Å; L569-Y601 HydrophobicContact CD1-CD2 4.11Å; L569-Y601 HydrophobicContact CD1-CG 3.78Å
570D90.5Very high86.9Confident93 Ų9357.2 Ų57.250%0.49729%0.286SS..THydrogen-bonded Turntrans-85.14.7174.5-54.9-37.5000112.1H566 F568 F572H566-D570 WeakPolarHBondContact CA-OD2 3.25Å; H566-D570 WeakPolarHBondContact CB-OD2 3.27Å; H566-D570 IonicContact CG-OD2 2.71Å; H566-D570 IonicContact ND1-OD2 2.66Å; H566-D570 PolarHBondContact ND1-OD2 3.07Å; H566-D570 WeakPolarHBondContact O-CB 3.47Å; H566-D570 VanDerWaalsContact O-CG 3.31Å; H566-D570 PolarHBondContact O-N 3.39Å; F568-D570 VanDerWaalsContact C-N 3.35Å; F568-D570 PolarHBondContact O-N 3.24Å; D570-F572 HydrophobicContact CB-CD2 3.78Å; D570-F572 HydrophobicContact CB-CE2 3.55Å; D570-F572 PolarHBondContact O-N 3.12Å
571G88.8Confident86.3Confident19 Ų1957.4 Ų57.420%0.19629%0.288CS..THydrogen-bonded Turntrans76.610.1170.500000116.4F568 L569 H573 E574F568-G571 PolarHBondContact O-N 2.93Å; L569-G571 PolarHBondContact O-N 3.28Å; G571-H573 VanDerWaalsContact C-N 3.27Å; G571-H573 PolarHBondContact O-N 3.26Å; G571-E574 PolarHBondContact O-N 3.01Å
572F87.1Confident85.6Confident107 Ų10768.8 Ų68.847%0.46933%0.331SS..G310 helixtrans-60.4-36.6-177.9-69.9-78.3000113.1Y567 D570 E574 R575Y567-F572 HydrophobicContact CD2-CB 3.77Å; Y567-F572 HydrophobicContact CE2-CB 3.84Å; Y567-F572 HydrophobicContact CG-CB 4.4Å; Y567-F572 PolarHBondContact O-N 2.95Å; D570-F572 HydrophobicContact CB-CD2 3.78Å; D570-F572 HydrophobicContact CB-CE2 3.55Å; D570-F572 PolarHBondContact O-N 3.12Å; F572-E574 PolarHBondContact O-N 3.2Å; F572-R575 PolarHBondContact O-N 3.04Å
573H86Confident85.3Confident18 Ų1868.6 Ų68.68%0.08334%0.337CS..G310 helixtrans-55.5-33.717976.8-80.6000113.9Y567 F568 G571 R575 Q576 A577 L647Y567-H573 HydrophobicContact CD1-CB 4.04Å; Y567-H573 HydrophobicContact CE1-CB 3.45Å; Y567-H573 VanDerWaalsContact CE1-CB 3.45Å; Y567-H573 PolarHBondContact O-N 3.01Å; F568-H573 HydrophobicContact CD1-CB 3.78Å; F568-H573 AromaticContact CD1-CG 3.68Å; F568-H573 AromaticContact CD1-ND1 3.86Å; F568-H573 HydrophobicContact CE1-CB 3.78Å; F568-H573 PolarHBondContact O-ND1 3Å; G571-H573 VanDerWaalsContact C-N 3.27Å; G571-H573 PolarHBondContact O-N 3.26Å; H573-R575 PolarHBondContact O-N 3.03Å; H573-R575 VanDerWaalsContact O-N 3.13Å; H573-Q576 PolarHBondContact O-N 2.91Å; H573-A577 PolarHBondContact O-N 3.27Å; H573-L647 HydrophobicContact CB-CD2 4.31Å
574E84.2Confident85.1Confident152 Ų15268.1 Ų68.171%0.7134%0.335SS*.G310 helixtrans-58.6-29.9-179-63-170.2157.200112.6G571 F572G571-E574 PolarHBondContact O-N 3.01Å; F572-E574 PolarHBondContact O-N 3.2Å
575R74Confident85Confident215 Ų21570.6 Ų70.681%0.81135%0.345SS*.G310 helixtrans-86.1-14.8-177.3-55.4-177.1-172-179.64.9113F572 H573F572-R575 PolarHBondContact O-N 3.04Å; H573-R575 PolarHBondContact O-N 3.03Å; H573-R575 VanDerWaalsContact O-N 3.13Å
576Q74.7Confident84.8Confident55 Ų5571.8 Ų71.826%0.25736%0.358SS..THydrogen-bonded Turntrans-121.9-8.6-168.7-60.2-168.7-5800114.1Y567 H573 V578 E649Y567-Q576 PolarHBondContact OH-OE1 3.12Å; H573-Q576 PolarHBondContact O-N 2.91Å; Q576-V578 WeakPolarHBondContact O-CG2 3.41Å; Q576-V578 PolarHBondContact O-N 3.4Å; Q576-E649 HydrophobicContact CB-CG 4.42Å; Q576-E649 WeakPolarHBondContact CG-OE1 3.24Å; Q576-E649 PolarHBondContact NE2-OE1 2.66Å
577A74.4Confident84.8Confident41 Ų4167.2 Ų67.234%0.33934%0.34SS..  trans-60.2118.3177.700000112.7H573 V579 D646H573-A577 PolarHBondContact O-N 3.27Å; A577-V579 PolarHBondContact O-N 3.15Å; A577-D646 CarbonylContact C-O 3.58Å; A577-D646 WeakPolarHBondContact CA-O 3.32Å
578V74.9Confident84.8Confident10 Ų1069.5 Ų69.56%0.06135%0.351CS..  trans-10371.9-174.1-166.70000111Q576 S580 N581 D646Q576-V578 WeakPolarHBondContact O-CG2 3.41Å; Q576-V578 PolarHBondContact O-N 3.4Å; V578-S580 PolarHBondContact O-N 3.22Å; V578-N581 HydrophobicContact CB-CB 4.34Å; V578-N581 HydrophobicContact CG1-CB 4.02Å; V578-N581 WeakPolarHBondContact O-CB 3.15Å; V578-N581 PolarHBondContact O-N 3.44Å; V578-D646 PolarHBondContact N-O 3.25Å
579V76.6Confident84.9Confident99 Ų9969.3 Ų69.360%0.635%0.35SS*.THydrogen-bonded Turntrans-53.6-23.5178.6179.50000113.5A577A577-V579 PolarHBondContact O-N 3.15Å
580S76.7Confident85.2Confident56 Ų5666.7 Ų66.739%0.39234%0.337SS..THydrogen-bonded Turntrans-86.6-4.6178.255.90000115.5V578 R582V578-S580 PolarHBondContact O-N 3.22Å; S580-R582 PolarHBondContact O-N 3.38Å
581N83.5Confident85.3Confident13 Ų1367.9 Ų67.97%0.0734%0.337CS..  trans-69.6125.5178.9-176.510.6000111V578 L583 G584 E645 R651V578-N581 HydrophobicContact CB-CB 4.34Å; V578-N581 HydrophobicContact CG1-CB 4.02Å; V578-N581 WeakPolarHBondContact O-CB 3.15Å; V578-N581 PolarHBondContact O-N 3.44Å; N581-L583 VanDerWaalsContact C-N 3.32Å; N581-L583 PolarHBondContact O-N 3.45Å; N581-L583 PolarHBondContact OD1-N 3.28Å; N581-G584 PolarHBondContact O-N 3.23Å; N581-G584 VanDerWaalsContact O-N 3.11Å; N581-E645 PolarHBondContact ND2-O 3.07Å; N581-E645 PolarHBondContact ND2-OE2 2.93Å; N581-R651 WeakPolarHBondContact OD1-CD 3.25Å
582R82.3Confident85.6Confident240 Ų24068.6 Ų68.691%0.90634%0.336SS*.THydrogen-bonded Turntrans-77.4-11.5-175.6-63.7-176-178178.31.6115.1S580S580-R582 PolarHBondContact O-N 3.38Å
583L86.2Confident86.1Confident106 Ų10663.6 Ų63.656%0.55531%0.314SS*.THydrogen-bonded Turntrans-100.3-6.1166.7-58.9-159.5000112.4N581 E645 R651N581-L583 VanDerWaalsContact C-N 3.32Å; N581-L583 PolarHBondContact O-N 3.45Å; N581-L583 PolarHBondContact OD1-N 3.28Å; L583-E645 HydrophobicContact CB-CG 4.12Å; L583-E645 WeakPolarHBondContact CB-OE1 3.37Å; L583-R651 VanDerWaalsContact CD1-NH1 3.31Å
584G88.6Confident86.5Confident16 Ų1664.7 Ų64.717%0.16532%0.319CS..SBendtrans-79.9173.3170.700000112.1N581N581-G584 PolarHBondContact O-N 3.23Å; N581-G584 VanDerWaalsContact O-N 3.11Å
585Y92.8Very high86.9Confident53 Ų5360 Ų6021%0.20830%0.297CS..  trans-103.922.7-178.6-60.3-66.6000112G587 E588 I589 H620 F638 G642 D646Y585-G587 VanDerWaalsContact C-N 3.34Å; Y585-E588 PolarHBondContact O-N 3.04Å; Y585-I589 HydrophobicContact CD2-CB 4.42Å; Y585-I589 HydrophobicContact CD2-CG1 3.65Å; Y585-I589 HydrophobicContact CG-CG1 3.86Å; Y585-H620 HydrophobicContact CD1-CB 3.49Å; Y585-H620 VanDerWaalsContact CD1-CB 3.49Å; Y585-H620 AromaticContact CD1-CG 3.43Å; Y585-H620 VanDerWaalsContact CD1-CG 3.43Å; Y585-H620 AromaticContact CD1-ND1 3.59Å; Y585-H620 HydrophobicContact CE1-CB 3.72Å; Y585-H620 HydrophobicContact CG-CB 4.24Å; Y585-H620 AromaticContact CG-CG 3.99Å; Y585-F638 HydrophobicContact CE2-CE2 4.1Å; Y585-F638 AromaticContact CZ-CE2 3.85Å; Y585-G642 VanDerWaalsContact CE2-CA 3.5Å; Y585-D646 WeakPolarHBondContact CA-OD1 3.45Å; Y585-D646 PolarHBondContact N-OD1 3.15Å
586G90Very high87.9Confident33 Ų3349.8 Ų49.834%0.3426%0.259SS..THydrogen-bonded Turntrans74.220.718000000114E588 D646G586-E588 VanDerWaalsContact C-N 3.28Å; G586-E588 PolarHBondContact O-N 2.69Å; G586-D646 PolarHBondContact N-OD1 3.46Å
587G91.4Very high88.9Confident10 Ų1047.3 Ų47.310%0.10325%0.247CC..THydrogen-bonded Turntrans80.21.3-173.600000114.3Y585 K591 D646Y585-G587 VanDerWaalsContact C-N 3.34Å; G587-K591 WeakPolarHBondContact O-CB 3.23Å; G587-K591 PolarHBondContact O-N 3.08Å; G587-D646 VanDerWaalsContact C-OD2 3.27Å; G587-D646 VanDerWaalsContact CA-OD2 3.23Å; G587-D646 WeakPolarHBondContact CA-OD2 3.37Å; G587-D646 VanDerWaalsContact N-CG 3.28Å; G587-D646 PolarHBondContact N-OD1 3.16Å; G587-D646 PolarHBondContact N-OD2 2.9Å
588E93.9Very high89.7Confident62 Ų6246.6 Ų46.629%0.2924%0.24SC..Hα-helixtrans-70.6-33.9-176.6-69.4-173.516700113.2Y585 G586 H592 K619 H620 D646Y585-E588 PolarHBondContact O-N 3.04Å; G586-E588 VanDerWaalsContact C-N 3.28Å; G586-E588 PolarHBondContact O-N 2.69Å; E588-H592 PolarHBondContact O-CD2 3.09Å; E588-H592 VanDerWaalsContact O-CD2 3.27Å; E588-H592 PolarHBondContact O-N 2.95Å; E588-H592 VanDerWaalsContact O-N 3.08Å; E588-K619 IonicContact OE1-NZ 2.7Å; E588-K619 PolarHBondContact OE1-NZ 2.7Å; E588-K619 WeakPolarHBondContact OE2-CE 3.31Å; E588-K619 IonicContact OE2-NZ 2.71Å; E588-K619 PolarHBondContact OE2-NZ 2.99Å; E588-H620 IonicContact OE2-CD2 3.66Å; E588-H620 IonicContact OE2-CE1 2.74Å; E588-H620 PolarHBondContact OE2-CE1 3.4Å; E588-H620 IonicContact OE2-NE2 3.73Å; E588-H620 PolarHBondContact OE2-NE2 3.16Å; E588-D646 PolarHBondContact N-OD2 3.4Å
589I96Very high90.5Very high0 Ų046.5 Ų46.50%024%0.24CC..Hα-helixtrans-73-46.2178.3-62.9-61.7000109.5Y585 K591 H592 F593 A616 V617 F638 L639 L643 D646Y585-I589 HydrophobicContact CD2-CB 4.42Å; Y585-I589 HydrophobicContact CD2-CG1 3.65Å; Y585-I589 HydrophobicContact CG-CG1 3.86Å; I589-K591 PolarHBondContact O-N 3.12Å; I589-H592 PolarHBondContact O-N 3.19Å; I589-F593 VanDerWaalsContact O-CB 3.22Å; I589-F593 WeakPolarHBondContact O-CB 3.46Å; I589-F593 PolarHBondContact O-N 2.93Å; I589-A616 HydrophobicContact CD1-CB 4.32Å; I589-V617 HydrophobicContact CD1-CG2 4.27Å; I589-F638 HydrophobicContact CD1-CZ 4.31Å; I589-L639 HydrophobicContact CG2-CD1 3.83Å; I589-L643 HydrophobicContact CG2-CD2 4.18Å; I589-L643 HydrophobicContact CG2-CG 4.4Å; I589-D646 PolarHBondContact N-OD2 2.95Å; I589-D646 VanDerWaalsContact N-OD2 3.15Å
590V95.9Very high91.2Very high3 Ų342.1 Ų42.12%0.01821%0.213CC..Hα-helixtrans-53.8-51.4171.9155.40000111.8F568 H592 F593 E594 L643 D646 L647F568-V590 HydrophobicContact CE1-CG1 4.28Å; V590-H592 PolarHBondContact O-N 2.83Å; V590-F593 PolarHBondContact O-N 3.49Å; V590-E594 WeakPolarHBondContact O-CB 3.37Å; V590-E594 PolarHBondContact O-N 2.84Å; V590-L643 HydrophobicContact CG2-CD2 3.83Å; V590-D646 HydrophobicContact CB-CB 4.03Å; V590-D646 HydrophobicContact CG2-CB 3.4Å; V590-D646 VanDerWaalsContact CG2-CB 3.4Å; V590-D646 PolarHBondContact N-OD2 3.14Å; V590-L647 HydrophobicContact CG1-CD2 4.09Å; V590-L647 HydrophobicContact CG2-CD1 4.13Å; V590-L647 HydrophobicContact CG2-CD2 3.7Å; V590-L647 HydrophobicContact CG2-CG 3.59Å
591K94.2Very high91.8Very high118 Ų11841.1 Ų41.151%0.51320%0.201SC..Hα-helixtrans-60.4-49.4-177.9179-178.4178.2-178.60112G587 I589 E594 M595G587-K591 WeakPolarHBondContact O-CB 3.23Å; G587-K591 PolarHBondContact O-N 3.08Å; I589-K591 PolarHBondContact O-N 3.12Å; K591-E594 PolarHBondContact O-N 3.07Å; K591-M595 HydrophobicContact CG-SD 4.18Å; K591-M595 VanDerWaalsContact O-CG 3.29Å; K591-M595 WeakPolarHBondContact O-CG 3.29Å; K591-M595 PolarHBondContact O-N 2.85Å
592H95.5Very high91.8Very high34 Ų3445.2 Ų45.216%0.15722%0.223CC..Hα-helixtrans-77-23.4-176.5-72.8-60.9000113.5E588 I589 V590 L596 F613 A616E588-H592 PolarHBondContact O-CD2 3.09Å; E588-H592 VanDerWaalsContact O-CD2 3.27Å; E588-H592 PolarHBondContact O-N 2.95Å; E588-H592 VanDerWaalsContact O-N 3.08Å; I589-H592 PolarHBondContact O-N 3.19Å; V590-H592 PolarHBondContact O-N 2.83Å; H592-L596 WeakPolarHBondContact O-CB 3.35Å; H592-L596 PolarHBondContact O-N 3.06Å; H592-F613 HydrophobicContact CB-CB 4.12Å; H592-F613 HydrophobicContact CB-CD2 4.06Å; H592-A616 HydrophobicContact CB-CB 4.42Å
593F96.3Very high91.3Very high2 Ų238.4 Ų38.41%0.00920%0.202CC..Hα-helixtrans-69.2-44.3168.5-175.5-99.3000111.8L558 F568 I589 V590 L596 L597 F613 L639 L643L558-F593 HydrophobicContact CB-CE2 4.35Å; L558-F593 HydrophobicContact CB-CZ 3.99Å; L558-F593 HydrophobicContact CD1-CE2 4.43Å; F568-F593 AromaticContact CD2-CD1 3.96Å; F568-F593 HydrophobicContact CD2-CD1 3.96Å; F568-F593 AromaticContact CD2-CE1 3.78Å; F568-F593 HydrophobicContact CD2-CE1 3.78Å; F568-F593 AromaticContact CE2-CD1 3.64Å; F568-F593 HydrophobicContact CE2-CD1 3.64Å; F568-F593 AromaticContact CE2-CE1 3.58Å; F568-F593 HydrophobicContact CE2-CE1 3.58Å; F568-F593 AromaticContact CZ-CD1 3.98Å; F568-F593 HydrophobicContact CZ-CD1 3.98Å; F568-F593 HydrophobicContact CZ-CE1 4.36Å; I589-F593 VanDerWaalsContact O-CB 3.22Å; I589-F593 WeakPolarHBondContact O-CB 3.46Å; I589-F593 PolarHBondContact O-N 2.93Å; V590-F593 PolarHBondContact O-N 3.49Å; F593-L596 PolarHBondContact O-N 3.01Å; F593-L597 HydrophobicContact CE1-CD2 4.01Å; F593-L597 VanDerWaalsContact O-CB 3.3Å; F593-L597 WeakPolarHBondContact O-CB 3.45Å; F593-L597 PolarHBondContact O-N 3.41Å; F593-F613 HydrophobicContact CB-CD2 4.45Å; F593-F613 HydrophobicContact CB-CE2 4.05Å; F593-F613 HydrophobicContact CD2-CE2 4.19Å; F593-F613 HydrophobicContact CD2-CZ 4.27Å; F593-L639 HydrophobicContact CD2-CD1 4.34Å; F593-L639 HydrophobicContact CD2-CD2 4.29Å; F593-L639 HydrophobicContact CE2-CD2 4.21Å; F593-L643 HydrophobicContact CB-CD2 3.94Å; F593-L643 HydrophobicContact CD1-CD1 4.01Å; F593-L643 HydrophobicContact CD1-CD2 4.08Å; F593-L643 HydrophobicContact CD2-CD1 4.4Å; F593-L643 HydrophobicContact CE1-CD1 4.13Å; F593-L643 HydrophobicContact CG-CD1 4.15Å; F593-L643 HydrophobicContact CG-CD2 4.07Å; F593-L643 HydrophobicContact CZ-CD1 4.39Å
594E94.6Very high90.2Very high40 Ų4038.6 Ų38.619%0.18721%0.209CC..Hα-helixtrans-55.8-55.8172.2176.1-76.6128.100110.8F568 V590 K591 L596 L597 S598F568-E594 HydrophobicContact CD1-CB 4.05Å; V590-E594 WeakPolarHBondContact O-CB 3.37Å; V590-E594 PolarHBondContact O-N 2.84Å; K591-E594 PolarHBondContact O-N 3.07Å; E594-L596 PolarHBondContact O-N 3.49Å; E594-L597 PolarHBondContact O-N 2.82Å; E594-S598 WeakPolarHBondContact O-CB 3.43Å; E594-S598 PolarHBondContact O-N 2.72Å; E594-S598 PolarHBondContact O-OG 2.89Å; E594-S598 VanDerWaalsContact OE1-CB 3.26Å; E594-S598 WeakPolarHBondContact OE1-CB 3.45Å; E594-S598 PolarHBondContact OE1-OG 2.8Å
595M93.5Very high89.8Confident54 Ų5442.9 Ų42.927%0.26623%0.228SC..Hα-helixtrans-57.9-37.6-175.8-68.1-179.679.800112.1K591 A599 E609K591-M595 HydrophobicContact CG-SD 4.18Å; K591-M595 VanDerWaalsContact O-CG 3.29Å; K591-M595 WeakPolarHBondContact O-CG 3.29Å; K591-M595 PolarHBondContact O-N 2.85Å; M595-A599 VanDerWaalsContact O-CB 3.31Å; M595-A599 WeakPolarHBondContact O-CB 3.49Å; M595-A599 PolarHBondContact O-N 3.28Å; M595-E609 HydrophobicContact CB-CG 4.36Å; M595-E609 VanDerWaalsContact CE-OE2 3.31Å; M595-E609 WeakPolarHBondContact CE-OE2 3.27Å
596L95.2Very high89.4Confident0 Ų042 Ų420%023%0.226CC..Hα-helixtrans-70-42.7176-179.955.4000112.4L542 V555 H592 F593 E594 A599 L600 E609 L610 F613L542-L596 HydrophobicContact CD2-CD1 3.9Å; V555-L596 HydrophobicContact CG1-CD2 3.96Å; V555-L596 HydrophobicContact CG1-CG 4.37Å; V555-L596 HydrophobicContact CG2-CD2 4.38Å; H592-L596 WeakPolarHBondContact O-CB 3.35Å; H592-L596 PolarHBondContact O-N 3.06Å; F593-L596 PolarHBondContact O-N 3.01Å; E594-L596 PolarHBondContact O-N 3.49Å; L596-A599 PolarHBondContact O-N 2.91Å; L596-L600 WeakPolarHBondContact O-CG 3.3Å; L596-L600 PolarHBondContact O-N 3.29Å; L596-E609 HydrophobicContact CB-CB 4.28Å; L596-E609 HydrophobicContact CD1-CB 4.26Å; L596-L610 HydrophobicContact CD1-CB 4.01Å; L596-L610 HydrophobicContact CD1-CD1 4.49Å; L596-L610 HydrophobicContact CD2-CD1 3.86Å; L596-F613 HydrophobicContact CD2-CB 4.05Å; L596-F613 HydrophobicContact CD2-CD1 3.67Å; L596-F613 HydrophobicContact CD2-CE1 4.31Å; L596-F613 HydrophobicContact CD2-CG 3.92Å
597L93.8Very high89.3Confident3 Ų342.4 Ų42.42%0.01622%0.22CC..Hα-helixtrans-65.5-43.1176.9-176.558.8000111.6F568 L569 F593 E594 A599 L600 Y601F568-L597 HydrophobicContact CB-CD2 3.83Å; F568-L597 HydrophobicContact CD2-CD2 3.96Å; F568-L597 HydrophobicContact CG-CD2 4.23Å; L569-L597 HydrophobicContact CD2-CG 4.45Å; F593-L597 HydrophobicContact CE1-CD2 4.01Å; F593-L597 VanDerWaalsContact O-CB 3.3Å; F593-L597 WeakPolarHBondContact O-CB 3.45Å; F593-L597 PolarHBondContact O-N 3.41Å; E594-L597 PolarHBondContact O-N 2.82Å; L597-A599 VanDerWaalsContact C-N 3.34Å; L597-A599 PolarHBondContact O-N 3.36Å; L597-L600 PolarHBondContact O-N 2.9Å; L597-Y601 HydrophobicContact CD1-CD2 3.87Å; L597-Y601 HydrophobicContact CD1-CE2 3.7Å; L597-Y601 WeakPolarHBondContact O-CD2 3.11Å; L597-Y601 PolarHBondContact O-N 2.96Å
598S92.3Very high89.3Confident26 Ų2643.2 Ų43.218%0.18223%0.226CC..Hα-helixtrans-60.4-40171.4-75.90000112.2L569 E594 N602L569-S598 WeakPolarHBondContact CD2-OG 3.23Å; E594-S598 WeakPolarHBondContact O-CB 3.43Å; E594-S598 PolarHBondContact O-N 2.72Å; E594-S598 PolarHBondContact O-OG 2.89Å; E594-S598 VanDerWaalsContact OE1-CB 3.26Å; E594-S598 WeakPolarHBondContact OE1-CB 3.45Å; E594-S598 PolarHBondContact OE1-OG 2.8Å; S598-N602 VanDerWaalsContact O-CB 3.25Å; S598-N602 WeakPolarHBondContact O-CB 3.26Å; S598-N602 PolarHBondContact O-N 2.92Å; S598-N602 PolarHBondContact O-ND2 2.84Å
599A91.6Very high89.3Confident8 Ų841.4 Ų41.47%0.06622%0.218CC..Hα-helixtrans-68.9-39.6176.200000112.8M595 L596 L597 Q603 Q606 E609M595-A599 VanDerWaalsContact O-CB 3.31Å; M595-A599 WeakPolarHBondContact O-CB 3.49Å; M595-A599 PolarHBondContact O-N 3.28Å; L596-A599 PolarHBondContact O-N 2.91Å; L597-A599 VanDerWaalsContact C-N 3.34Å; L597-A599 PolarHBondContact O-N 3.36Å; A599-Q603 WeakPolarHBondContact O-CA 3.4Å; A599-Q603 PolarHBondContact O-N 2.84Å; A599-Q606 HydrophobicContact CB-CB 3.99Å; A599-E609 HydrophobicContact CB-CB 4.43Å; A599-E609 HydrophobicContact CB-CG 4.05Å
600L91.6Very high89.2Confident8 Ų841.4 Ų41.44%0.04222%0.218CC..Hα-helixtrans-58.1-49.1173.4-79.6169.9000111.5N540 L542 V555 L596 L597N540-L600 HydrophobicContact CB-CD2 4.01Å; N540-L600 PolarHBondContact ND2-O 2.84Å; L542-L600 HydrophobicContact CD2-CD2 3.75Å; L542-L600 HydrophobicContact CD2-CG 4.3Å; L542-L600 HydrophobicContact CG-CD2 4.09Å; V555-L600 HydrophobicContact CG1-CD1 4.1Å; L596-L600 WeakPolarHBondContact O-CG 3.3Å; L596-L600 PolarHBondContact O-N 3.29Å; L597-L600 PolarHBondContact O-N 2.9Å
601Y89.1Confident89.1Confident34 Ų3447.4 Ų47.413%0.13324%0.241CC..Hα-helixtrans-75.6-35-176.9-86.2-99000113.9S559 V565 L569 L597S559-Y601 WeakPolarHBondContact O-CE2 3.33Å; S559-Y601 PolarHBondContact O-OH 3.1Å; V565-Y601 HydrophobicContact CG1-CE1 4.01Å; V565-Y601 HydrophobicContact CG1-CE2 4.15Å; V565-Y601 HydrophobicContact CG2-CE2 4.25Å; L569-Y601 HydrophobicContact CD1-CD1 4.01Å; L569-Y601 HydrophobicContact CD1-CD2 4.11Å; L569-Y601 HydrophobicContact CD1-CG 3.78Å; L597-Y601 HydrophobicContact CD1-CD2 3.87Å; L597-Y601 HydrophobicContact CD1-CE2 3.7Å; L597-Y601 WeakPolarHBondContact O-CD2 3.11Å; L597-Y601 PolarHBondContact O-N 2.96Å
602N83.1Confident89.2Confident99 Ų9945.8 Ų45.853%0.52923%0.234SC..Hα-helixtrans-102.3-27.3-169.4-62.1-59.5000114.9R538 S598R538-N602 PolarHBondContact NH1-O 2.82Å; S598-N602 VanDerWaalsContact O-CB 3.25Å; S598-N602 WeakPolarHBondContact O-CB 3.26Å; S598-N602 PolarHBondContact O-N 2.92Å; S598-N602 PolarHBondContact O-ND2 2.84Å
603Q71.7Confident89.2Confident98 Ų9844.2 Ų44.246%0.45823%0.227SC..  trans51.4101.1-169.1-63.9-179.1-4.200113N540 A599N540-Q603 VanDerWaalsContact ND2-CG 3.26Å; N540-Q603 WeakPolarHBondContact ND2-CG 3.32Å; N540-Q603 PolarHBondContact OD1-NE2 3.2Å; A599-Q603 WeakPolarHBondContact O-CA 3.4Å; A599-Q603 PolarHBondContact O-N 2.84Å
604P64.1Low89.1Confident109 Ų10945.4 Ų45.471%0.70823%0.231SC*.SBend-139.216478.638.3-25.8000115.6Q606P604-Q606 PolarHBondContact O-N 2.87Å
605N78.7Confident89.1Confident107 Ų10747.4 Ų47.457%0.57225%0.25SC*.  trans61.339.8166.1-156.212.7000117D607 A608 E609N605-D607 PolarHBondContact O-N 3.29Å; N605-A608 VanDerWaalsContact CG-CB 3.5Å; N605-A608 WeakPolarHBondContact ND2-CB 3.43Å; N605-A608 PolarHBondContact O-N 2.93Å; N605-A608 VanDerWaalsContact O-N 3.1Å; N605-A608 WeakPolarHBondContact OD1-CB 3.3Å; N605-A608 PolarHBondContact OD1-N 3.48Å; N605-E609 PolarHBondContact O-N 3.2Å
606Q84.4Confident89.2Confident33 Ų3345.1 Ų45.115%0.15424%0.239CC..Hα-helixtrans-51.1-33.9170.566.2-173.521.300114N540 G541 A599 P604 A608 E609 L610N540-Q606 PolarHBondContact ND2-OE1 2.65Å; G541-Q606 PolarHBondContact O-NE2 3.01Å; A599-Q606 HydrophobicContact CB-CB 3.99Å; P604-Q606 PolarHBondContact O-N 2.87Å; Q606-A608 VanDerWaalsContact C-N 3.34Å; Q606-A608 PolarHBondContact O-N 2.71Å; Q606-E609 PolarHBondContact O-N 3.09Å; Q606-L610 WeakPolarHBondContact O-CB 3.49Å; Q606-L610 PolarHBondContact O-N 2.9Å
607D88.4Confident89.2Confident42 Ų4245.1 Ų45.123%0.22524%0.239CC..Hα-helixtrans-57-46.5176.3-79.837.1000111.1R543 N605 E609 L610 Y611R543-D607 VanDerWaalsContact CD-OD2 3.3Å; R543-D607 WeakPolarHBondContact CD-OD2 3.37Å; R543-D607 IonicContact NH1-OD2 2.76Å; N605-D607 PolarHBondContact O-N 3.29Å; D607-E609 PolarHBondContact O-N 2.94Å; D607-L610 WeakPolarHBondContact O-CB 3.37Å; D607-L610 PolarHBondContact O-N 3.2Å; D607-Y611 WeakPolarHBondContact O-CD2 3.35Å; D607-Y611 PolarHBondContact O-N 3.27Å
608A91.6Very high89.2Confident27 Ų2746.3 Ų46.322%0.22325%0.25CC..Hα-helixtrans-66.6-36.4179.400000112.5N605 Q606 K612N605-A608 VanDerWaalsContact CG-CB 3.5Å; N605-A608 WeakPolarHBondContact ND2-CB 3.43Å; N605-A608 PolarHBondContact O-N 2.93Å; N605-A608 VanDerWaalsContact O-N 3.1Å; N605-A608 WeakPolarHBondContact OD1-CB 3.3Å; N605-A608 PolarHBondContact OD1-N 3.48Å; Q606-A608 VanDerWaalsContact C-N 3.34Å; Q606-A608 PolarHBondContact O-N 2.71Å; A608-K612 WeakPolarHBondContact O-CD 3.46Å; A608-K612 VanDerWaalsContact O-CG 3.28Å; A608-K612 WeakPolarHBondContact O-CG 3.39Å; A608-K612 PolarHBondContact O-N 2.98Å
609E93.5Very high89.3Confident24 Ų2451.3 Ų51.311%0.11227%0.268CS..Hα-helixtrans-71.4-33.7174.3-52.9-41.3127.100111.9M595 L596 A599 N605 Q606 D607 K612 F613M595-E609 HydrophobicContact CB-CG 4.36Å; M595-E609 VanDerWaalsContact CE-OE2 3.31Å; M595-E609 WeakPolarHBondContact CE-OE2 3.27Å; L596-E609 HydrophobicContact CB-CB 4.28Å; L596-E609 HydrophobicContact CD1-CB 4.26Å; A599-E609 HydrophobicContact CB-CB 4.43Å; A599-E609 HydrophobicContact CB-CG 4.05Å; N605-E609 PolarHBondContact O-N 3.2Å; Q606-E609 PolarHBondContact O-N 3.09Å; D607-E609 PolarHBondContact O-N 2.94Å; E609-K612 PolarHBondContact O-N 2.9Å; E609-K612 IonicContact OE1-NZ 2.61Å; E609-K612 PolarHBondContact OE1-NZ 2.91Å; E609-K612 WeakPolarHBondContact OE2-CD 3.46Å; E609-K612 IonicContact OE2-NZ 2.77Å; E609-K612 PolarHBondContact OE2-NZ 2.84Å; E609-F613 VanDerWaalsContact O-CB 3.24Å; E609-F613 WeakPolarHBondContact O-CB 3.3Å; E609-F613 PolarHBondContact O-N 2.93Å
610L94.1Very high89.4Confident1 Ų153.8 Ų53.81%0.00528%0.278CS..Hα-helixtrans-64.9-42.8172.7-176.467.2000111.4L542 R543 L545 L596 Q606 D607 F613 R614L542-L610 HydrophobicContact CB-CD2 4.15Å; L542-L610 HydrophobicContact CD1-CD1 4.38Å; L542-L610 HydrophobicContact CD2-CD1 4.34Å; L542-L610 HydrophobicContact CD2-CD2 4.27Å; R543-L610 WeakPolarHBondContact O-CD2 3.4Å; L545-L610 HydrophobicContact CD1-CD2 4.01Å; L545-L610 HydrophobicContact CD1-CG 3.91Å; L545-L610 HydrophobicContact CD2-CD2 4.34Å; L545-L610 HydrophobicContact CG-CD2 4.06Å; L596-L610 HydrophobicContact CD1-CB 4.01Å; L596-L610 HydrophobicContact CD1-CD1 4.49Å; L596-L610 HydrophobicContact CD2-CD1 3.86Å; Q606-L610 WeakPolarHBondContact O-CB 3.49Å; Q606-L610 PolarHBondContact O-N 2.9Å; D607-L610 WeakPolarHBondContact O-CB 3.37Å; D607-L610 PolarHBondContact O-N 3.2Å; L610-F613 PolarHBondContact O-N 2.71Å; L610-R614 WeakPolarHBondContact O-CB 3.25Å; L610-R614 PolarHBondContact O-N 2.88Å
611Y94Very high89.4Confident128 Ų12856.6 Ų56.650%0.50229%0.291SS..Hα-helixtrans-60.4-44.7172.4-83.5-70.2000112L545 D607 S615L545-Y611 HydrophobicContact CD1-CD1 3.73Å; L545-Y611 HydrophobicContact CD1-CE1 3.86Å; L545-Y611 HydrophobicContact CD1-CG 4.07Å; L545-Y611 HydrophobicContact CD2-CE1 3.94Å; L545-Y611 HydrophobicContact CD2-CE2 3.95Å; L545-Y611 HydrophobicContact CG-CE1 4.34Å; D607-Y611 WeakPolarHBondContact O-CD2 3.35Å; D607-Y611 PolarHBondContact O-N 3.27Å; Y611-S615 WeakPolarHBondContact O-CB 3.44Å; Y611-S615 PolarHBondContact O-N 3.25Å
612K95.3Very high89.4Confident85 Ų8559.2 Ų59.237%0.3731%0.314SS..Hα-helixtrans-65.1-45.6177.4-71.4158173.2174.80111.9A608 E609 S615 A616A608-K612 WeakPolarHBondContact O-CD 3.46Å; A608-K612 VanDerWaalsContact O-CG 3.28Å; A608-K612 WeakPolarHBondContact O-CG 3.39Å; A608-K612 PolarHBondContact O-N 2.98Å; E609-K612 PolarHBondContact O-N 2.9Å; E609-K612 IonicContact OE1-NZ 2.61Å; E609-K612 PolarHBondContact OE1-NZ 2.91Å; E609-K612 WeakPolarHBondContact OE2-CD 3.46Å; E609-K612 IonicContact OE2-NZ 2.77Å; E609-K612 PolarHBondContact OE2-NZ 2.84Å; K612-S615 WeakPolarHBondContact O-CB 3.2Å; K612-S615 PolarHBondContact O-N 3.33Å; K612-S615 VanDerWaalsContact O-N 3.16Å; K612-A616 PolarHBondContact O-N 2.8Å
613F96Very high89.7Confident0 Ų058.4 Ų58.40%031%0.306CS..Hα-helixtrans-59.4-49.8176.2175.4-110.7000111.2I551 V555 H592 F593 L596 E609 L610 S615 A616 V617 F635 L639I551-F613 HydrophobicContact CG2-CD1 4.41Å; I551-F613 HydrophobicContact CG2-CE1 4Å; V555-F613 HydrophobicContact CG2-CE1 3.74Å; V555-F613 HydrophobicContact CG2-CZ 4.32Å; H592-F613 HydrophobicContact CB-CB 4.12Å; H592-F613 HydrophobicContact CB-CD2 4.06Å; F593-F613 HydrophobicContact CB-CD2 4.45Å; F593-F613 HydrophobicContact CB-CE2 4.05Å; F593-F613 HydrophobicContact CD2-CE2 4.19Å; F593-F613 HydrophobicContact CD2-CZ 4.27Å; L596-F613 HydrophobicContact CD2-CB 4.05Å; L596-F613 HydrophobicContact CD2-CD1 3.67Å; L596-F613 HydrophobicContact CD2-CE1 4.31Å; L596-F613 HydrophobicContact CD2-CG 3.92Å; E609-F613 VanDerWaalsContact O-CB 3.24Å; E609-F613 WeakPolarHBondContact O-CB 3.3Å; E609-F613 PolarHBondContact O-N 2.93Å; L610-F613 PolarHBondContact O-N 2.71Å; F613-S615 VanDerWaalsContact C-N 3.28Å; F613-S615 PolarHBondContact O-N 3.09Å; F613-A616 PolarHBondContact O-N 2.84Å; F613-A616 VanDerWaalsContact O-N 3.08Å; F613-V617 HydrophobicContact CD1-CG2 4.49Å; F613-V617 HydrophobicContact CD2-CG2 4.41Å; F613-V617 HydrophobicContact CE1-CG2 4.19Å; F613-V617 HydrophobicContact CE2-CG2 4.09Å; F613-V617 HydrophobicContact CZ-CG2 3.98Å; F613-V617 WeakPolarHBondContact O-CG2 3.48Å; F613-V617 PolarHBondContact O-N 2.75Å; F613-F635 AromaticContact CE1-CZ 3.94Å; F613-F635 HydrophobicContact CE1-CZ 3.94Å; F613-F635 HydrophobicContact CZ-CZ 4.03Å; F613-L639 HydrophobicContact CE2-CD1 3.91Å; F613-L639 HydrophobicContact CZ-CD1 3.7Å; F613-L639 HydrophobicContact CZ-CD2 3.99Å
614R94.2Very high90.6Very high28 Ų2853.9 Ų53.911%0.10629%0.285CS..Hα-helixtrans-58.3-39.7173.3-175.2174.3-179-156.7-6.7112.1L545 T548 I551 L610 A616 V617 A618 S626 N627L545-R614 PolarHBondContact O-NH1 3.14Å; L545-R614 VanDerWaalsContact O-NH1 3.08Å; T548-R614 VanDerWaalsContact CG2-NH1 3.33Å; I551-R614 HydrophobicContact CD1-CG 4.15Å; L610-R614 WeakPolarHBondContact O-CB 3.25Å; L610-R614 PolarHBondContact O-N 2.88Å; R614-A616 VanDerWaalsContact C-N 3.33Å; R614-A616 PolarHBondContact O-N 3.13Å; R614-V617 PolarHBondContact O-N 2.84Å; R614-A618 VanDerWaalsContact O-CB 3.23Å; R614-A618 WeakPolarHBondContact O-CB 3.34Å; R614-A618 PolarHBondContact O-N 3.32Å; R614-S626 PolarHBondContact NH2-O 2.78Å; R614-N627 VanDerWaalsContact CZ-OD1 3.29Å; R614-N627 PolarHBondContact NH1-OD1 3.39Å; R614-N627 PolarHBondContact NH2-OD1 3.1Å
615S94.3Very high91.8Very high82 Ų8251.9 Ų51.957%0.57327%0.274SS*.Hα-helixtrans-65.9-32.7176.4-170.90000113.2Y611 K612 F613 K619Y611-S615 WeakPolarHBondContact O-CB 3.44Å; Y611-S615 PolarHBondContact O-N 3.25Å; K612-S615 WeakPolarHBondContact O-CB 3.2Å; K612-S615 PolarHBondContact O-N 3.33Å; K612-S615 VanDerWaalsContact O-N 3.16Å; F613-S615 VanDerWaalsContact C-N 3.28Å; F613-S615 PolarHBondContact O-N 3.09Å; S615-K619 VanDerWaalsContact O-CB 3.29Å; S615-K619 WeakPolarHBondContact O-CB 3.46Å; S615-K619 PolarHBondContact O-N 2.9Å
616A95.6Very high92.1Very high6 Ų648.6 Ų48.65%0.0526%0.259CS..Hα-helixtrans-72.7-45.3174.500000110.9I589 H592 K612 F613 R614 A618 K619 H620I589-A616 HydrophobicContact CD1-CB 4.32Å; H592-A616 HydrophobicContact CB-CB 4.42Å; K612-A616 PolarHBondContact O-N 2.8Å; F613-A616 PolarHBondContact O-N 2.84Å; F613-A616 VanDerWaalsContact O-N 3.08Å; R614-A616 VanDerWaalsContact C-N 3.33Å; R614-A616 PolarHBondContact O-N 3.13Å; A616-A618 PolarHBondContact O-N 2.85Å; A616-K619 WeakPolarHBondContact O-CB 3.47Å; A616-K619 PolarHBondContact O-N 3.38Å; A616-H620 PolarHBondContact O-CD2 3.23Å; A616-H620 PolarHBondContact O-N 2.94Å
617V95.8Very high92.1Very high0 Ų051.4 Ų51.40%028%0.275CS..Hα-helixtrans-54.3-53.3172.4168.90000110.9I589 F613 R614 K619 H620 Q621 F624 F635 F638I589-V617 HydrophobicContact CD1-CG2 4.27Å; F613-V617 HydrophobicContact CD1-CG2 4.49Å; F613-V617 HydrophobicContact CD2-CG2 4.41Å; F613-V617 HydrophobicContact CE1-CG2 4.19Å; F613-V617 HydrophobicContact CE2-CG2 4.09Å; F613-V617 HydrophobicContact CZ-CG2 3.98Å; F613-V617 WeakPolarHBondContact O-CG2 3.48Å; F613-V617 PolarHBondContact O-N 2.75Å; R614-V617 PolarHBondContact O-N 2.84Å; V617-K619 VanDerWaalsContact C-N 3.29Å; V617-K619 PolarHBondContact O-N 3.4Å; V617-H620 PolarHBondContact O-N 2.72Å; V617-Q621 PolarHBondContact O-N 3.22Å; V617-F624 HydrophobicContact CG1-CB 3.66Å; V617-F624 HydrophobicContact CG1-CD2 3.81Å; V617-F624 HydrophobicContact CG1-CG 4.09Å; V617-F635 HydrophobicContact CG1-CD2 4.42Å; V617-F635 HydrophobicContact CG1-CE2 3.79Å; V617-F635 HydrophobicContact CG2-CE2 4.04Å; V617-F635 HydrophobicContact CG2-CZ 4.43Å; V617-F638 HydrophobicContact CB-CE1 4.37Å; V617-F638 HydrophobicContact CG1-CE1 3.88Å; V617-F638 HydrophobicContact CG2-CE1 4.15Å
618A93.5Very high91.9Very high28 Ų2854 Ų5423%0.23129%0.289CS..Hα-helixtrans-64.9-28.2-177.900000114.1R614 A616R614-A618 VanDerWaalsContact O-CB 3.23Å; R614-A618 WeakPolarHBondContact O-CB 3.34Å; R614-A618 PolarHBondContact O-N 3.32Å; A616-A618 PolarHBondContact O-N 2.85Å
619K94.6Very high91.6Very high131 Ų13155 Ų5557%0.5729%0.289SS*.Hα-helixtrans-68.5-37.8175.3170.7-173.5172.7-1740112.1E588 S615 A616 V617E588-K619 IonicContact OE1-NZ 2.7Å; E588-K619 PolarHBondContact OE1-NZ 2.7Å; E588-K619 WeakPolarHBondContact OE2-CE 3.31Å; E588-K619 IonicContact OE2-NZ 2.71Å; E588-K619 PolarHBondContact OE2-NZ 2.99Å; S615-K619 VanDerWaalsContact O-CB 3.29Å; S615-K619 WeakPolarHBondContact O-CB 3.46Å; S615-K619 PolarHBondContact O-N 2.9Å; A616-K619 WeakPolarHBondContact O-CB 3.47Å; A616-K619 PolarHBondContact O-N 3.38Å; V617-K619 VanDerWaalsContact C-N 3.29Å; V617-K619 PolarHBondContact O-N 3.4Å
620H92.8Very high91.5Very high60 Ų6055.4 Ų55.428%0.27829%0.291SS..Hα-helixtrans-96.8-32.3-173.9-67.1-59.5000113.4Y585 E588 A616 V617Y585-H620 HydrophobicContact CD1-CB 3.49Å; Y585-H620 VanDerWaalsContact CD1-CB 3.49Å; Y585-H620 AromaticContact CD1-CG 3.43Å; Y585-H620 VanDerWaalsContact CD1-CG 3.43Å; Y585-H620 AromaticContact CD1-ND1 3.59Å; Y585-H620 HydrophobicContact CE1-CB 3.72Å; Y585-H620 HydrophobicContact CG-CB 4.24Å; Y585-H620 AromaticContact CG-CG 3.99Å; E588-H620 IonicContact OE2-CD2 3.66Å; E588-H620 IonicContact OE2-CE1 2.74Å; E588-H620 PolarHBondContact OE2-CE1 3.4Å; E588-H620 IonicContact OE2-NE2 3.73Å; E588-H620 PolarHBondContact OE2-NE2 3.16Å; A616-H620 PolarHBondContact O-CD2 3.23Å; A616-H620 PolarHBondContact O-N 2.94Å; V617-H620 PolarHBondContact O-N 2.72Å
621Q91.8Very high91.4Very high66 Ų6657.4 Ų57.431%0.30830%0.302SS..  trans-126.3100.9175.5176.950-90.400110.5V617 K623 F624 F638V617-Q621 PolarHBondContact O-N 3.22Å; Q621-K623 HydrophobicContact CG-CB 4.24Å; Q621-K623 PolarHBondContact O-N 2.94Å; Q621-K623 VanDerWaalsContact O-N 3.12Å; Q621-F624 HydrophobicContact CB-CD2 3.9Å; Q621-F624 HydrophobicContact CB-CE2 4.29Å; Q621-F624 HydrophobicContact CG-CD2 3.4Å; Q621-F624 HydrophobicContact CG-CE2 3.5Å; Q621-F624 HydrophobicContact CG-CG 4.32Å; Q621-F624 HydrophobicContact CG-CZ 4.49Å; Q621-F624 PolarHBondContact O-N 3.3Å; Q621-F624 VanDerWaalsContact O-N 3.13Å; Q621-F638 HydrophobicContact CB-CD2 3.98Å; Q621-F638 HydrophobicContact CB-CE2 3.56Å; Q621-F638 HydrophobicContact CB-CZ 3.88Å; Q621-F638 HydrophobicContact CG-CD2 4.26Å; Q621-F638 HydrophobicContact CG-CE2 4.34Å
622S89.2Confident91.5Very high90 Ų9051.3 Ų51.363%0.62928%0.278SS*.G310 helixtrans-61.2-22.7-176.553.50000113.9F624 S625S622-F624 PolarHBondContact O-N 2.94Å; S622-S625 VanDerWaalsContact O-CB 3.31Å; S622-S625 WeakPolarHBondContact O-CB 3.14Å; S622-S625 PolarHBondContact O-N 2.94Å; S622-S625 VanDerWaalsContact O-N 3.12Å; S622-S625 PolarHBondContact O-OG 2.87Å
623K89.4Confident91.5Very high82 Ų8248 Ų4836%0.35726%0.264SS..G310 helixtrans-60.9-32.3175.9-176.5166.3175.9175.40113.1Q621 S625 Q630 E634Q621-K623 HydrophobicContact CG-CB 4.24Å; Q621-K623 PolarHBondContact O-N 2.94Å; Q621-K623 VanDerWaalsContact O-N 3.12Å; K623-S625 VanDerWaalsContact C-N 3.34Å; K623-Q630 PolarHBondContact O-NE2 3.23Å; K623-E634 VanDerWaalsContact CD-OE1 3.32Å; K623-E634 WeakPolarHBondContact CD-OE1 3.34Å; K623-E634 WeakPolarHBondContact CE-OE1 3.42Å; K623-E634 WeakPolarHBondContact CE-OE2 3.37Å; K623-E634 IonicContact NZ-OE1 3.78Å; K623-E634 PolarHBondContact NZ-OE1 3.35Å; K623-E634 IonicContact NZ-OE2 2.82Å; K623-E634 PolarHBondContact NZ-OE2 3.15Å
624F91.7Very high91.5Very high2 Ų251.7 Ų51.71%0.00928%0.281CS..G310 helixtrans-92.19.9178.3-53.3-52.5000113.5Y550 V617 Q621 S622 Q630 E634 F635 F638Y550-F624 AromaticContact CE2-CD1 3.69Å; Y550-F624 HydrophobicContact CE2-CD1 3.69Å; Y550-F624 HydrophobicContact CE2-CE1 4.11Å; Y550-F624 HydrophobicContact CE2-CG 4.49Å; Y550-F624 AromaticContact CZ-CD1 4Å; V617-F624 HydrophobicContact CG1-CB 3.66Å; V617-F624 HydrophobicContact CG1-CD2 3.81Å; V617-F624 HydrophobicContact CG1-CG 4.09Å; Q621-F624 HydrophobicContact CB-CD2 3.9Å; Q621-F624 HydrophobicContact CB-CE2 4.29Å; Q621-F624 HydrophobicContact CG-CD2 3.4Å; Q621-F624 HydrophobicContact CG-CE2 3.5Å; Q621-F624 HydrophobicContact CG-CG 4.32Å; Q621-F624 HydrophobicContact CG-CZ 4.49Å; Q621-F624 PolarHBondContact O-N 3.3Å; Q621-F624 VanDerWaalsContact O-N 3.13Å; S622-F624 PolarHBondContact O-N 2.94Å; F624-Q630 HydrophobicContact CD1-CB 4.21Å; F624-Q630 HydrophobicContact CD1-CG 4.11Å; F624-Q630 HydrophobicContact CE1-CB 4.19Å; F624-Q630 HydrophobicContact CE1-CG 4.49Å; F624-E634 HydrophobicContact CZ-CG 4.33Å; F624-F635 HydrophobicContact CD1-CD2 4.36Å; F624-F635 AromaticContact CD2-CD2 3.96Å; F624-F635 HydrophobicContact CD2-CD2 3.96Å; F624-F635 HydrophobicContact CE1-CB 3.92Å; F624-F635 HydrophobicContact CE1-CD2 4.31Å; F624-F635 AromaticContact CE2-CD2 3.9Å; F624-F635 HydrophobicContact CE2-CD2 3.9Å; F624-F635 HydrophobicContact CG-CD2 4.22Å; F624-F635 HydrophobicContact CZ-CB 3.9Å; F624-F635 HydrophobicContact CZ-CD2 4.1Å; F624-F638 HydrophobicContact CD2-CD1 4.08Å; F624-F638 HydrophobicContact CD2-CE1 4.42Å; F624-F638 HydrophobicContact CD2-CG 4.39Å; F624-F638 HydrophobicContact CE2-CB 3.83Å; F624-F638 AromaticContact CE2-CD1 3.75Å; F624-F638 HydrophobicContact CE2-CD1 3.75Å; F624-F638 HydrophobicContact CE2-CD2 4.44Å; F624-F638 HydrophobicContact CE2-CE1 4.49Å; F624-F638 AromaticContact CE2-CG 3.72Å; F624-F638 HydrophobicContact CE2-CG 3.72Å; F624-F638 HydrophobicContact CZ-CB 4.4Å
625S88.1Confident91.6Very high68 Ų6850.3 Ų50.348%0.47628%0.276SS..SBendtrans-83.8-26.5-179.472.70000114.5S622 K623S622-S625 VanDerWaalsContact O-CB 3.31Å; S622-S625 WeakPolarHBondContact O-CB 3.14Å; S622-S625 PolarHBondContact O-N 2.94Å; S622-S625 VanDerWaalsContact O-N 3.12Å; S622-S625 PolarHBondContact O-OG 2.87Å; K623-S625 VanDerWaalsContact C-N 3.34Å
626S85.6Confident91.8Very high38 Ų3846.4 Ų46.427%0.26625%0.249SC..SBendtrans-81.6168176.968.80000112R614 D628R614-S626 PolarHBondContact NH2-O 2.78Å; S626-D628 VanDerWaalsContact C-N 3.25Å; S626-D628 WeakPolarHBondContact CB-OD2 3.23Å; S626-D628 VanDerWaalsContact OG-CG 3.27Å; S626-D628 PolarHBondContact OG-N 3.44Å; S626-D628 PolarHBondContact OG-OD2 2.94Å
627N84.2Confident91.9Very high92 Ų9249.6 Ų49.649%0.49227%0.265SS..SBendtrans-93.227.5170.6-69-19.2000111.7N547 R614N547-N627 WeakPolarHBondContact CB-O 3.42Å; N547-N627 PolarHBondContact ND2-O 3.16Å; R614-N627 VanDerWaalsContact CZ-OD1 3.29Å; R614-N627 PolarHBondContact NH1-OD1 3.39Å; R614-N627 PolarHBondContact NH2-OD1 3.1Å
628D85.6Confident91.9Very high97 Ų9750.5 Ų50.552%0.51927%0.268SS..SBendtrans-82.6158.6173-50.2-47.5000109.5S626S626-D628 VanDerWaalsContact C-N 3.25Å; S626-D628 WeakPolarHBondContact CB-OD2 3.23Å; S626-D628 VanDerWaalsContact OG-CG 3.27Å; S626-D628 PolarHBondContact OG-N 3.44Å; S626-D628 PolarHBondContact OG-OD2 2.94Å
629Q85.2Confident92.1Very high48 Ų4849.1 Ų49.122%0.22426%0.257CS..  trans-70.7143.2171.6-61.5-161.2-13.900110.4N547 G835N547-Q629 HydrophobicContact CB-CG 3.99Å; N547-Q629 PolarHBondContact OD1-NE2 3.13Å; Q629-G835 PolarHBondContact NE2-O 2.83Å; Q629-G835 PolarHBondContact OE1-O 2.89Å
630Q91.3Very high92.3Very high31 Ų3142.9 Ų42.915%0.14523%0.23CC..  trans-138155.9-177-57.5-64.2-26.700109.4Y550 K623 F624 S632Y550-Q630 WeakPolarHBondContact CB-O 3.45Å; Y550-Q630 HydrophobicContact CD1-CB 4.05Å; Y550-Q630 HydrophobicContact CD2-CB 4.14Å; Y550-Q630 HydrophobicContact CE1-CB 3.78Å; Y550-Q630 HydrophobicContact CE1-CG 3.93Å; Y550-Q630 HydrophobicContact CE2-CB 3.87Å; Y550-Q630 HydrophobicContact CE2-CG 4.39Å; Y550-Q630 HydrophobicContact CG-CB 4.24Å; K623-Q630 PolarHBondContact O-NE2 3.23Å; F624-Q630 HydrophobicContact CD1-CB 4.21Å; F624-Q630 HydrophobicContact CD1-CG 4.11Å; F624-Q630 HydrophobicContact CE1-CB 4.19Å; F624-Q630 HydrophobicContact CE1-CG 4.49Å; Q630-S632 PolarHBondContact O-N 3.1Å
631D91.8Very high92.5Very high44 Ų4443.4 Ų43.424%0.23524%0.235CC..  trans-72.1120.5178-170.6-4.8000111.5L633 E634 F635 Y871D631-L633 PolarHBondContact O-N 3.35Å; D631-L633 WeakPolarHBondContact OD1-CB 3.4Å; D631-L633 PolarHBondContact OD1-N 3.42Å; D631-E634 HydrophobicContact CB-CB 4.24Å; D631-E634 PolarHBondContact O-N 3.48Å; D631-E634 VanDerWaalsContact O-N 3.11Å; D631-F635 PolarHBondContact O-N 2.92Å; D631-F635 VanDerWaalsContact O-N 3.09Å; D631-Y871 WeakPolarHBondContact OD1-CE1 3.42Å; D631-Y871 PolarHBondContact OD1-OH 2.85Å; D631-Y871 PolarHBondContact OD2-OH 2.85Å
632S95.2Very high92.7Very high0 Ų040.3 Ų40.30%022%0.221CC..Hα-helixtrans-51.1-33169.862.40000114V554 Q630 L636 L826 Y837 Y871V554-S632 VanDerWaalsContact CG2-O 3.31Å; V554-S632 WeakPolarHBondContact CG2-O 3.16Å; Q630-S632 PolarHBondContact O-N 3.1Å; S632-L636 VanDerWaalsContact O-CB 3.22Å; S632-L636 WeakPolarHBondContact O-CB 3.44Å; S632-L636 PolarHBondContact O-N 3.11Å; S632-L826 WeakPolarHBondContact OG-CD2 3.48Å; S632-Y837 PolarHBondContact N-OH 3.36Å; S632-Y837 WeakPolarHBondContact OG-CE1 3.35Å; S632-Y871 WeakPolarHBondContact OG-CE1 3.42Å
633L95.9Very high93Very high16 Ų1636 Ų368%0.08419%0.191CC..Hα-helixtrans-67.2-43.8176.8175.366.5000111.6D631 F635 L636 L637 V721 H779 Y871 I872D631-L633 PolarHBondContact O-N 3.35Å; D631-L633 WeakPolarHBondContact OD1-CB 3.4Å; D631-L633 PolarHBondContact OD1-N 3.42Å; L633-F635 VanDerWaalsContact C-N 3.34Å; L633-L636 WeakPolarHBondContact O-CB 3.39Å; L633-L636 PolarHBondContact O-N 3.09Å; L633-L637 HydrophobicContact CD1-CD1 4.24Å; L633-L637 HydrophobicContact CD1-CG 4.35Å; L633-L637 HydrophobicContact CG-CD1 4.1Å; L633-L637 WeakPolarHBondContact O-CB 3.28Å; L633-L637 VanDerWaalsContact O-CG 3.32Å; L633-L637 WeakPolarHBondContact O-CG 3.26Å; L633-L637 PolarHBondContact O-N 3.14Å; L633-V721 HydrophobicContact CD1-CG1 4.1Å; L633-H779 HydrophobicContact CD1-CB 4Å; L633-H779 HydrophobicContact CD2-CB 4.4Å; L633-H779 VanDerWaalsContact CD2-CE1 3.4Å; L633-H779 WeakPolarHBondContact CD2-CE1 3.36Å; L633-H779 VanDerWaalsContact CD2-ND1 3.29Å; L633-H779 WeakPolarHBondContact CD2-ND1 3.22Å; L633-Y871 HydrophobicContact CB-CE1 4.47Å; L633-I872 HydrophobicContact CB-CD1 4.01Å; L633-I872 HydrophobicContact CD1-CD1 4.13Å
634E95.2Very high93.4Very high76 Ų7632.4 Ų32.436%0.35518%0.175SC..Hα-helixtrans-68-38.1-179.7-170177.4173.700110.9K623 F624 D631 F638K623-E634 VanDerWaalsContact CD-OE1 3.32Å; K623-E634 WeakPolarHBondContact CD-OE1 3.34Å; K623-E634 WeakPolarHBondContact CE-OE1 3.42Å; K623-E634 WeakPolarHBondContact CE-OE2 3.37Å; K623-E634 IonicContact NZ-OE1 3.78Å; K623-E634 PolarHBondContact NZ-OE1 3.35Å; K623-E634 IonicContact NZ-OE2 2.82Å; K623-E634 PolarHBondContact NZ-OE2 3.15Å; F624-E634 HydrophobicContact CZ-CG 4.33Å; D631-E634 HydrophobicContact CB-CB 4.24Å; D631-E634 PolarHBondContact O-N 3.48Å; D631-E634 VanDerWaalsContact O-N 3.11Å; E634-F638 WeakPolarHBondContact O-CB 3.48Å; E634-F638 PolarHBondContact O-N 3.09Å
635F97.1Very high93.5Very high0 Ų032.7 Ų32.70%018%0.176CC..Hα-helixtrans-66.5-40.8171.8180-111.1000112.7Y550 I551 V554 F613 V617 F624 D631 L633 F638 L639Y550-F635 HydrophobicContact CD2-CB 3.72Å; Y550-F635 HydrophobicContact CD2-CD1 4.23Å; Y550-F635 AromaticContact CD2-CG 3.94Å; Y550-F635 HydrophobicContact CD2-CG 3.94Å; Y550-F635 HydrophobicContact CE2-CB 3.92Å; Y550-F635 HydrophobicContact CE2-CD2 4.25Å; Y550-F635 AromaticContact CE2-CG 3.94Å; Y550-F635 HydrophobicContact CE2-CG 3.94Å; I551-F635 HydrophobicContact CB-CD1 4.43Å; I551-F635 HydrophobicContact CB-CE1 4.03Å; I551-F635 HydrophobicContact CB-CZ 4.38Å; I551-F635 HydrophobicContact CG1-CD1 4.29Å; I551-F635 HydrophobicContact CG1-CE1 4.14Å; I551-F635 HydrophobicContact CG1-CE2 4.46Å; I551-F635 HydrophobicContact CG1-CZ 4.24Å; I551-F635 HydrophobicContact CG2-CE1 3.77Å; I551-F635 HydrophobicContact CG2-CZ 3.84Å; V554-F635 HydrophobicContact CB-CD1 3.74Å; V554-F635 HydrophobicContact CB-CE1 3.95Å; V554-F635 HydrophobicContact CG1-CD1 3.76Å; V554-F635 HydrophobicContact CG1-CE1 3.77Å; V554-F635 HydrophobicContact CG2-CD1 3.98Å; F613-F635 AromaticContact CE1-CZ 3.94Å; F613-F635 HydrophobicContact CE1-CZ 3.94Å; F613-F635 HydrophobicContact CZ-CZ 4.03Å; V617-F635 HydrophobicContact CG1-CD2 4.42Å; V617-F635 HydrophobicContact CG1-CE2 3.79Å; V617-F635 HydrophobicContact CG2-CE2 4.04Å; V617-F635 HydrophobicContact CG2-CZ 4.43Å; F624-F635 HydrophobicContact CD1-CD2 4.36Å; F624-F635 AromaticContact CD2-CD2 3.96Å; F624-F635 HydrophobicContact CD2-CD2 3.96Å; F624-F635 HydrophobicContact CE1-CB 3.92Å; F624-F635 HydrophobicContact CE1-CD2 4.31Å; F624-F635 AromaticContact CE2-CD2 3.9Å; F624-F635 HydrophobicContact CE2-CD2 3.9Å; F624-F635 HydrophobicContact CG-CD2 4.22Å; F624-F635 HydrophobicContact CZ-CB 3.9Å; F624-F635 HydrophobicContact CZ-CD2 4.1Å; D631-F635 PolarHBondContact O-N 2.92Å; D631-F635 VanDerWaalsContact O-N 3.09Å; L633-F635 VanDerWaalsContact C-N 3.34Å; F635-F638 HydrophobicContact CD2-CD1 4.12Å; F635-F638 HydrophobicContact CE2-CD1 4.09Å; F635-F638 HydrophobicContact CE2-CE1 4.4Å; F635-F638 PolarHBondContact O-N 2.86Å; F635-L639 HydrophobicContact CE1-CD2 4.08Å; F635-L639 HydrophobicContact CZ-CB 4.42Å; F635-L639 HydrophobicContact CZ-CD2 4.05Å; F635-L639 VanDerWaalsContact O-CB 3.29Å; F635-L639 WeakPolarHBondContact O-CB 3.47Å; F635-L639 PolarHBondContact O-N 2.96Å
636L98.1Very high93.9Very high0 Ų029.4 Ų29.40%015%0.154CC..Hα-helixtrans-60.2-46174.3174.965.4000112V554 L558 S632 L633 L639 L640 I777 I872 F874V554-L636 HydrophobicContact CG1-CB 4.11Å; V554-L636 HydrophobicContact CG1-CD1 3.9Å; V554-L636 HydrophobicContact CG2-CB 3.97Å; L558-L636 HydrophobicContact CD1-CD1 4.18Å; L558-L636 HydrophobicContact CD2-CD1 4.2Å; L558-L636 HydrophobicContact CG-CD1 4.32Å; S632-L636 VanDerWaalsContact O-CB 3.22Å; S632-L636 WeakPolarHBondContact O-CB 3.44Å; S632-L636 PolarHBondContact O-N 3.11Å; L633-L636 WeakPolarHBondContact O-CB 3.39Å; L633-L636 PolarHBondContact O-N 3.09Å; L636-L639 PolarHBondContact O-N 2.83Å; L636-L640 HydrophobicContact CD1-CD1 3.77Å; L636-L640 HydrophobicContact CD1-CG 4.13Å; L636-L640 HydrophobicContact CG-CD1 4.08Å; L636-L640 WeakPolarHBondContact O-CB 3.38Å; L636-L640 WeakPolarHBondContact O-CG 3.35Å; L636-L640 PolarHBondContact O-N 3.23Å; L636-I777 HydrophobicContact CD2-CD1 4.39Å; L636-I777 HydrophobicContact CD2-CG2 4.02Å; L636-I872 HydrophobicContact CD2-CD1 3.95Å; L636-I872 HydrophobicContact CD2-CG2 4.23Å; L636-F874 HydrophobicContact CD1-CE1 4.11Å; L636-F874 HydrophobicContact CD1-CZ 4.06Å; L636-F874 HydrophobicContact CD2-CE1 4.18Å; L636-F874 HydrophobicContact CD2-CZ 3.72Å
637L97.5Very high94.3Very high73 Ų7327.6 Ų27.638%0.38214%0.141SC..Hα-helixtrans-63.7-46.6177.2-72.2169.9000111.4L633 L639 D641 V721L633-L637 HydrophobicContact CD1-CD1 4.24Å; L633-L637 HydrophobicContact CD1-CG 4.35Å; L633-L637 HydrophobicContact CG-CD1 4.1Å; L633-L637 WeakPolarHBondContact O-CB 3.28Å; L633-L637 VanDerWaalsContact O-CG 3.32Å; L633-L637 WeakPolarHBondContact O-CG 3.26Å; L633-L637 PolarHBondContact O-N 3.14Å; L637-L639 VanDerWaalsContact C-N 3.35Å; L637-L639 PolarHBondContact O-N 3.33Å; L637-D641 VanDerWaalsContact O-CB 3.26Å; L637-D641 WeakPolarHBondContact O-CB 3.3Å; L637-D641 PolarHBondContact O-N 2.95Å; L637-V721 HydrophobicContact CD2-CB 4.49Å; L637-V721 HydrophobicContact CD2-CG2 3.76Å
638F97Very high94.8Very high18 Ų1823.2 Ų23.28%0.07912%0.118CC..Hα-helixtrans-58.5-43.8174.2163-96.6000112.4Y585 I589 V617 Q621 F624 E634 F635 G642Y585-F638 HydrophobicContact CE2-CE2 4.1Å; Y585-F638 AromaticContact CZ-CE2 3.85Å; I589-F638 HydrophobicContact CD1-CZ 4.31Å; V617-F638 HydrophobicContact CB-CE1 4.37Å; V617-F638 HydrophobicContact CG1-CE1 3.88Å; V617-F638 HydrophobicContact CG2-CE1 4.15Å; Q621-F638 HydrophobicContact CB-CD2 3.98Å; Q621-F638 HydrophobicContact CB-CE2 3.56Å; Q621-F638 HydrophobicContact CB-CZ 3.88Å; Q621-F638 HydrophobicContact CG-CD2 4.26Å; Q621-F638 HydrophobicContact CG-CE2 4.34Å; F624-F638 HydrophobicContact CD2-CD1 4.08Å; F624-F638 HydrophobicContact CD2-CE1 4.42Å; F624-F638 HydrophobicContact CD2-CG 4.39Å; F624-F638 HydrophobicContact CE2-CB 3.83Å; F624-F638 AromaticContact CE2-CD1 3.75Å; F624-F638 HydrophobicContact CE2-CD1 3.75Å; F624-F638 HydrophobicContact CE2-CD2 4.44Å; F624-F638 HydrophobicContact CE2-CE1 4.49Å; F624-F638 AromaticContact CE2-CG 3.72Å; F624-F638 HydrophobicContact CE2-CG 3.72Å; F624-F638 HydrophobicContact CZ-CB 4.4Å; E634-F638 WeakPolarHBondContact O-CB 3.48Å; E634-F638 PolarHBondContact O-N 3.09Å; F635-F638 HydrophobicContact CD2-CD1 4.12Å; F635-F638 HydrophobicContact CE2-CD1 4.09Å; F635-F638 HydrophobicContact CE2-CE1 4.4Å; F635-F638 PolarHBondContact O-N 2.86Å; F638-G642 PolarHBondContact O-N 3.28Å
639L97.9Very high94.9Very high0 Ų021.4 Ų21.40%011%0.106CC..Hα-helixtrans-69.2-43.4-177.5-179.456.2000111.6V554 L558 I589 F593 F613 F635 L636 L637 G642 L643V554-L639 HydrophobicContact CG1-CD2 3.99Å; L558-L639 HydrophobicContact CD1-CD2 3.73Å; L558-L639 HydrophobicContact CD1-CG 4.25Å; I589-L639 HydrophobicContact CG2-CD1 3.83Å; F593-L639 HydrophobicContact CD2-CD1 4.34Å; F593-L639 HydrophobicContact CD2-CD2 4.29Å; F593-L639 HydrophobicContact CE2-CD2 4.21Å; F613-L639 HydrophobicContact CE2-CD1 3.91Å; F613-L639 HydrophobicContact CZ-CD1 3.7Å; F613-L639 HydrophobicContact CZ-CD2 3.99Å; F635-L639 HydrophobicContact CE1-CD2 4.08Å; F635-L639 HydrophobicContact CZ-CB 4.42Å; F635-L639 HydrophobicContact CZ-CD2 4.05Å; F635-L639 VanDerWaalsContact O-CB 3.29Å; F635-L639 WeakPolarHBondContact O-CB 3.47Å; F635-L639 PolarHBondContact O-N 2.96Å; L636-L639 PolarHBondContact O-N 2.83Å; L637-L639 VanDerWaalsContact C-N 3.35Å; L637-L639 PolarHBondContact O-N 3.33Å; L639-G642 PolarHBondContact O-N 2.96Å; L639-L643 HydrophobicContact CD1-CD1 4.09Å; L639-L643 HydrophobicContact CD1-CG 4.07Å; L639-L643 HydrophobicContact CG-CD1 4.12Å; L639-L643 WeakPolarHBondContact O-CB 3.09Å; L639-L643 VanDerWaalsContact O-CG 3.23Å; L639-L643 WeakPolarHBondContact O-CG 3.43Å; L639-L643 PolarHBondContact O-N 3.33Å
640L98Very high95Very high0 Ų019.5 Ų19.50%010%0.099CC..Hα-helixtrans-68.2-34.9176.8-69.1173.1000112.3L558 L636 H644 I692 F696 M720 I777L558-L640 HydrophobicContact CD1-CD2 4.2Å; L558-L640 HydrophobicContact CD2-CD2 4.03Å; L636-L640 HydrophobicContact CD1-CD1 3.77Å; L636-L640 HydrophobicContact CD1-CG 4.13Å; L636-L640 HydrophobicContact CG-CD1 4.08Å; L636-L640 WeakPolarHBondContact O-CB 3.38Å; L636-L640 WeakPolarHBondContact O-CG 3.35Å; L636-L640 PolarHBondContact O-N 3.23Å; L640-H644 VanDerWaalsContact O-CB 3.25Å; L640-H644 WeakPolarHBondContact O-CB 3.38Å; L640-H644 PolarHBondContact O-N 3.4Å; L640-I692 HydrophobicContact CB-CG2 4.37Å; L640-I692 HydrophobicContact CD2-CD1 4.14Å; L640-F696 HydrophobicContact CD2-CD2 4.18Å; L640-F696 HydrophobicContact CD2-CE2 3.94Å; L640-F696 HydrophobicContact CD2-CZ 4.18Å; L640-M720 HydrophobicContact CB-CE 4.27Å; L640-M720 HydrophobicContact CB-SD 3.42Å; L640-M720 WeakPolarHBondContact CB-SD 3.36Å; L640-M720 HydrophobicContact CD1-CG 4.32Å; L640-M720 HydrophobicContact CD1-SD 3.63Å; L640-M720 HydrophobicContact CG-SD 4.15Å; L640-I777 HydrophobicContact CD1-CD1 3.64Å
641D96.4Very high94.6Very high71 Ų7120.5 Ų20.538%0.3810%0.101SC..Hα-helixtrans-67.2-44172.7-173.666.3000111.9L637 H644 E645L637-D641 VanDerWaalsContact O-CB 3.26Å; L637-D641 WeakPolarHBondContact O-CB 3.3Å; L637-D641 PolarHBondContact O-N 2.95Å; D641-H644 WeakPolarHBondContact O-CA 3.44Å; D641-H644 WeakPolarHBondContact O-CB 3.15Å; D641-H644 PolarHBondContact O-N 3.44Å; D641-H644 VanDerWaalsContact O-N 3.09Å; D641-E645 PolarHBondContact O-N 3.08Å
642G96Very high93.9Very high0 Ų019.4 Ų19.40%010%0.097CC..Hα-helixtrans-65.7-41.417600000113.8Y585 F638 L639 H644 D646Y585-G642 VanDerWaalsContact CE2-CA 3.5Å; F638-G642 PolarHBondContact O-N 3.28Å; L639-G642 PolarHBondContact O-N 2.96Å; G642-H644 VanDerWaalsContact C-N 3.27Å; G642-H644 PolarHBondContact O-N 2.95Å; G642-D646 WeakPolarHBondContact O-CB 3.36Å; G642-D646 PolarHBondContact O-N 3.07Å
643L96.7Very high92.6Very high0 Ų026 Ų260%013%0.128CC..Hα-helixtrans-67-28.7170.2-67.9175.4000111.9F568 I589 V590 F593 L639 L647 I692F568-L643 HydrophobicContact CZ-CD2 4.11Å; I589-L643 HydrophobicContact CG2-CD2 4.18Å; I589-L643 HydrophobicContact CG2-CG 4.4Å; V590-L643 HydrophobicContact CG2-CD2 3.83Å; F593-L643 HydrophobicContact CB-CD2 3.94Å; F593-L643 HydrophobicContact CD1-CD1 4.01Å; F593-L643 HydrophobicContact CD1-CD2 4.08Å; F593-L643 HydrophobicContact CD2-CD1 4.4Å; F593-L643 HydrophobicContact CE1-CD1 4.13Å; F593-L643 HydrophobicContact CG-CD1 4.15Å; F593-L643 HydrophobicContact CG-CD2 4.07Å; F593-L643 HydrophobicContact CZ-CD1 4.39Å; L639-L643 HydrophobicContact CD1-CD1 4.09Å; L639-L643 HydrophobicContact CD1-CG 4.07Å; L639-L643 HydrophobicContact CG-CD1 4.12Å; L639-L643 WeakPolarHBondContact O-CB 3.09Å; L639-L643 VanDerWaalsContact O-CG 3.23Å; L639-L643 WeakPolarHBondContact O-CG 3.43Å; L639-L643 PolarHBondContact O-N 3.33Å; L643-L647 WeakPolarHBondContact O-CB 3.49Å; L643-L647 WeakPolarHBondContact O-CD1 3.4Å; L643-L647 VanDerWaalsContact O-CG 3.25Å; L643-L647 WeakPolarHBondContact O-CG 3.38Å; L643-I692 HydrophobicContact CB-CD1 4.04Å; L643-I692 HydrophobicContact CB-CG1 4.11Å
644H96.5Very high91.2Very high6 Ų634 Ų343%0.02816%0.162CC..Hα-helixtrans-67.9-56.6173.6170.747.6000110.9L640 D641 G642 L647 N648 S690 I692 V693L640-H644 VanDerWaalsContact O-CB 3.25Å; L640-H644 WeakPolarHBondContact O-CB 3.38Å; L640-H644 PolarHBondContact O-N 3.4Å; D641-H644 WeakPolarHBondContact O-CA 3.44Å; D641-H644 WeakPolarHBondContact O-CB 3.15Å; D641-H644 PolarHBondContact O-N 3.44Å; D641-H644 VanDerWaalsContact O-N 3.09Å; G642-H644 VanDerWaalsContact C-N 3.27Å; G642-H644 PolarHBondContact O-N 2.95Å; H644-L647 CarbonylContact O-C 3.31Å; H644-L647 PolarHBondContact O-N 3.27Å; H644-L647 VanDerWaalsContact O-N 3.12Å; H644-N648 WeakPolarHBondContact O-CB 3.13Å; H644-N648 PolarHBondContact O-N 3.25Å; H644-S690 PolarHBondContact ND1-OG 3.27Å; H644-S690 PolarHBondContact O-OG 3.36Å; H644-I692 HydrophobicContact CB-CB 3.98Å; H644-I692 HydrophobicContact CB-CG1 4.13Å; H644-I692 HydrophobicContact CB-CG2 4.18Å; H644-V693 WeakPolarHBondContact CE1-CG2 3.42Å; H644-V693 WeakPolarHBondContact ND1-CG2 3.49Å
645E95.2Very high89.8Confident8 Ų833.4 Ų33.44%0.03716%0.161CC..Hα-helixtrans-72.4-33.9-172-68.6-78.2-150.200112.8N581 L583 D641 L647 N648 R651N581-E645 PolarHBondContact ND2-O 3.07Å; N581-E645 PolarHBondContact ND2-OE2 2.93Å; L583-E645 HydrophobicContact CB-CG 4.12Å; L583-E645 WeakPolarHBondContact CB-OE1 3.37Å; D641-E645 PolarHBondContact O-N 3.08Å; E645-L647 PolarHBondContact O-N 3.4Å; E645-N648 PolarHBondContact O-N 2.97Å; E645-N648 PolarHBondContact OE2-ND2 3.23Å; E645-R651 IonicContact OE1-CZ 2.99Å; E645-R651 IonicContact OE1-NH1 3.21Å; E645-R651 PolarHBondContact OE1-NH1 3.06Å; E645-R651 IonicContact OE1-NH2 3.6Å; E645-R651 PolarHBondContact OE1-NH2 2.94Å; E645-R651 IonicContact OE2-CZ 3.31Å; E645-R651 IonicContact OE2-NE 3.94Å; E645-R651 IonicContact OE2-NH1 2.68Å; E645-R651 PolarHBondContact OE2-NH1 3.19Å; E645-R651 IonicContact OE2-NH2 3.88Å
646D95Very high88Confident0 Ų037.9 Ų37.90%019%0.185CC..THydrogen-bonded Turntrans-65.1-19170.2-87.4-11.8000113A577 V578 Y585 G586 G587 E588 I589 V590 G642A577-D646 CarbonylContact C-O 3.58Å; A577-D646 WeakPolarHBondContact CA-O 3.32Å; V578-D646 PolarHBondContact N-O 3.25Å; Y585-D646 WeakPolarHBondContact CA-OD1 3.45Å; Y585-D646 PolarHBondContact N-OD1 3.15Å; G586-D646 PolarHBondContact N-OD1 3.46Å; G587-D646 VanDerWaalsContact C-OD2 3.27Å; G587-D646 VanDerWaalsContact CA-OD2 3.23Å; G587-D646 WeakPolarHBondContact CA-OD2 3.37Å; G587-D646 VanDerWaalsContact N-CG 3.28Å; G587-D646 PolarHBondContact N-OD1 3.16Å; G587-D646 PolarHBondContact N-OD2 2.9Å; E588-D646 PolarHBondContact N-OD2 3.4Å; I589-D646 PolarHBondContact N-OD2 2.95Å; I589-D646 VanDerWaalsContact N-OD2 3.15Å; V590-D646 HydrophobicContact CB-CB 4.03Å; V590-D646 HydrophobicContact CG2-CB 3.4Å; V590-D646 VanDerWaalsContact CG2-CB 3.4Å; V590-D646 PolarHBondContact N-OD2 3.14Å; G642-D646 WeakPolarHBondContact O-CB 3.36Å; G642-D646 PolarHBondContact O-N 3.07Å
647L94.5Very high85.8Confident0 Ų045 Ų450%022%0.223CC..THydrogen-bonded Turntrans-111.110.6178.4-60.6176.6000113.4Y567 F568 H573 V590 L643 H644 E645 E649 S690 I691Y567-L647 HydrophobicContact CE1-CD1 3.59Å; Y567-L647 HydrophobicContact CE1-CD2 4.36Å; F568-L647 HydrophobicContact CZ-CD1 4.24Å; H573-L647 HydrophobicContact CB-CD2 4.31Å; V590-L647 HydrophobicContact CG1-CD2 4.09Å; V590-L647 HydrophobicContact CG2-CD1 4.13Å; V590-L647 HydrophobicContact CG2-CD2 3.7Å; V590-L647 HydrophobicContact CG2-CG 3.59Å; L643-L647 WeakPolarHBondContact O-CB 3.49Å; L643-L647 WeakPolarHBondContact O-CD1 3.4Å; L643-L647 VanDerWaalsContact O-CG 3.25Å; L643-L647 WeakPolarHBondContact O-CG 3.38Å; H644-L647 CarbonylContact O-C 3.31Å; H644-L647 PolarHBondContact O-N 3.27Å; H644-L647 VanDerWaalsContact O-N 3.12Å; E645-L647 PolarHBondContact O-N 3.4Å; L647-E649 PolarHBondContact O-N 3.02Å; L647-S690 WeakPolarHBondContact O-CB 3.11Å; L647-I691 HydrophobicContact CD1-CG2 3.63Å
648N94Very high83.7Confident0 Ų044.8 Ų44.80%023%0.228CC..  trans-8185.8-167.5-169.8-2.5000113.4H644 E645 A650 R651 F687 N688 N689H644-N648 WeakPolarHBondContact O-CB 3.13Å; H644-N648 PolarHBondContact O-N 3.25Å; E645-N648 PolarHBondContact O-N 2.97Å; E645-N648 PolarHBondContact OE2-ND2 3.23Å; N648-A650 PolarHBondContact O-N 3.09Å; N648-A650 VanDerWaalsContact O-N 3.14Å; N648-A650 PolarHBondContact OD1-N 2.93Å; N648-R651 WeakPolarHBondContact ND2-CD 3.42Å; N648-R651 PolarHBondContact ND2-NE 2.77Å; N648-R651 VanDerWaalsContact ND2-NE 3.17Å; N648-R651 PolarHBondContact O-N 2.89Å; N648-F687 PolarHBondContact ND2-O 2.94Å; N648-F687 PolarHBondContact OD1-O 3.19Å; N648-N688 WeakPolarHBondContact OD1-CA 3.36Å; N648-N689 CarbonylContact C-O 3.6Å; N648-N689 WeakPolarHBondContact CA-O 3.44Å; N648-N689 PolarHBondContact OD1-N 3.3Å
649E89.4Confident81.5Confident58 Ų5850.4 Ų50.427%0.27126%0.264SS..G310 helixtrans-54.3-34-178.1-64.4-169.6131.100113.5Q576 L647 R651 S652 N655 N689Q576-E649 HydrophobicContact CB-CG 4.42Å; Q576-E649 WeakPolarHBondContact CG-OE1 3.24Å; Q576-E649 PolarHBondContact NE2-OE1 2.66Å; L647-E649 PolarHBondContact O-N 3.02Å; E649-R651 PolarHBondContact O-N 3.46Å; E649-S652 WeakPolarHBondContact O-CB 3.42Å; E649-S652 PolarHBondContact O-N 3.03Å; E649-S652 VanDerWaalsContact O-N 3.07Å; E649-S652 PolarHBondContact O-OG 2.88Å; E649-N655 PolarHBondContact O-ND2 3.23Å; E649-N689 PolarHBondContact N-O 3.44Å; E649-N689 PolarHBondContact OE2-ND2 2.74Å
650A86.1Confident79.6Confident9 Ų953.5 Ų53.57%0.07428%0.277CS..G310 helixtrans-64.6-9.3-179.300000113.9N648 K660 N689N648-A650 PolarHBondContact O-N 3.09Å; N648-A650 VanDerWaalsContact O-N 3.14Å; N648-A650 PolarHBondContact OD1-N 2.93Å; A650-K660 PolarHBondContact O-NZ 2.71Å; A650-N689 HydrophobicContact CB-CB 3.92Å
651R82.5Confident77.4Confident51 Ų5159.9 Ų59.919%0.19231%0.31CS..G310 helixtrans-116.61.1177.2-56.6-169.6-172.7168.717.4114.2N581 L583 E645 N648 E649 N656 F687 N688N581-R651 WeakPolarHBondContact OD1-CD 3.25Å; L583-R651 VanDerWaalsContact CD1-NH1 3.31Å; E645-R651 IonicContact OE1-CZ 2.99Å; E645-R651 IonicContact OE1-NH1 3.21Å; E645-R651 PolarHBondContact OE1-NH1 3.06Å; E645-R651 IonicContact OE1-NH2 3.6Å; E645-R651 PolarHBondContact OE1-NH2 2.94Å; E645-R651 IonicContact OE2-CZ 3.31Å; E645-R651 IonicContact OE2-NE 3.94Å; E645-R651 IonicContact OE2-NH1 2.68Å; E645-R651 PolarHBondContact OE2-NH1 3.19Å; E645-R651 IonicContact OE2-NH2 3.88Å; N648-R651 WeakPolarHBondContact ND2-CD 3.42Å; N648-R651 PolarHBondContact ND2-NE 2.77Å; N648-R651 VanDerWaalsContact ND2-NE 3.17Å; N648-R651 PolarHBondContact O-N 2.89Å; E649-R651 PolarHBondContact O-N 3.46Å; R651-N656 PolarHBondContact O-ND2 3.38Å; R651-F687 WeakPolarHBondContact CG-O 3.34Å; R651-F687 PolarHBondContact NE-O 2.8Å; R651-N688 PolarHBondContact NH2-OD1 3.1Å
652S78.2Confident75.2Confident21 Ų2166 Ų6615%0.14733%0.334CS..SBendtrans-58.7148.6170.769.40000111.3E649 K654 N655 N656E649-S652 WeakPolarHBondContact O-CB 3.42Å; E649-S652 PolarHBondContact O-N 3.03Å; E649-S652 VanDerWaalsContact O-N 3.07Å; E649-S652 PolarHBondContact O-OG 2.88Å; S652-K654 PolarHBondContact O-N 3.07Å; S652-K654 VanDerWaalsContact O-N 3.1Å; S652-N655 PolarHBondContact O-N 2.85Å; S652-N656 PolarHBondContact O-N 2.89Å; S652-N656 PolarHBondContact O-ND2 3.24Å
653E68.3Low72.9Confident139 Ų13969.4 Ų69.465%0.6535%0.349SS*.THydrogen-bonded Turntrans-58.5-29.9-176.1-62-175.3156.200113.1N655 N656E653-N655 VanDerWaalsContact C-N 3.28Å; E653-N655 PolarHBondContact O-N 3.47Å; E653-N656 PolarHBondContact O-N 2.8Å
654K65.5Low70.6Confident185 Ų18574.2 Ų74.280%0.80438%0.375SS*.THydrogen-bonded Turntrans-58.4-38.4173.9-61.5174.7-176.3171.10112.2S652S652-K654 PolarHBondContact O-N 3.07Å; S652-K654 VanDerWaalsContact O-N 3.1Å
655N65.4Low68.3Low63 Ų6380.8 Ų80.834%0.33741%0.406SS..THydrogen-bonded Turntrans-90.8-11.6-176.2-72.6-21.5000113.7E649 S652 E653 N657 S658E649-N655 PolarHBondContact O-ND2 3.23Å; S652-N655 PolarHBondContact O-N 2.85Å; E653-N655 VanDerWaalsContact C-N 3.28Å; E653-N655 PolarHBondContact O-N 3.47Å; N655-N657 PolarHBondContact O-N 2.79Å; N655-S658 WeakPolarHBondContact O-CB 3.44Å; N655-S658 PolarHBondContact O-N 3.27Å; N655-S658 PolarHBondContact O-OG 2.95Å
656N59.8Low66.1Low94 Ų9485.1 Ų85.150%0.50344%0.437SS..THydrogen-bonded Turntrans-72.5-15177.4-72.7-37.9000113.7R651 S652 E653R651-N656 PolarHBondContact O-ND2 3.38Å; S652-N656 PolarHBondContact O-N 2.89Å; S652-N656 PolarHBondContact O-ND2 3.24Å; E653-N656 PolarHBondContact O-N 2.8Å
657N51.4Low63.9Low150 Ų15088.6 Ų88.680%0.80245%0.454SS*.THydrogen-bonded Turntrans-87.5-8.7172.8-69.1-24.3000113.3N655N655-N657 PolarHBondContact O-N 2.79Å
658S55Low62Low68 Ų6890.4 Ų90.448%0.47646%0.463SS..SBendtrans-72.4128.9175.9-570000110.2N655 K660N655-S658 WeakPolarHBondContact O-CB 3.44Å; N655-S658 PolarHBondContact O-N 3.27Å; N655-S658 PolarHBondContact O-OG 2.95Å; S658-K660 VanDerWaalsContact C-N 3.3Å; S658-K660 PolarHBondContact O-N 3.49Å
659T50.3Low60.3Low136 Ų13694.5 Ų94.583%0.83448%0.482SS*.  trans-72.383.5175.350.20000110.6L661T659-L661 PolarHBondContact O-N 3.44Å
660K58Low58.9Low64 Ų64100.2 Ų100.228%0.27850%0.503SS..  trans-53130.2175.6-57.1-166.2-178.6-168.30109.9A650 S658 K662 D686 F687A650-K660 PolarHBondContact O-NZ 2.71Å; S658-K660 VanDerWaalsContact C-N 3.3Å; S658-K660 PolarHBondContact O-N 3.49Å; K660-K662 PolarHBondContact O-N 2.85Å; K660-D686 WeakPolarHBondContact CE-O 3.28Å; K660-D686 PolarHBondContact NZ-O 3.25Å; K660-F687 HydrophobicContact CD-CD1 4.39Å; K660-F687 HydrophobicContact CD-CE1 3.87Å; K660-F687 HydrophobicContact CD-CZ 4.1Å
661L52Low58.2Low134 Ų134100.4 Ų100.470%0.70250%0.503SS*.  trans-72.2121.3-170.6-76.3167.3000109.7T659 H663T659-L661 PolarHBondContact O-N 3.44Å; L661-H663 VanDerWaalsContact C-N 3.31Å; L661-H663 PolarHBondContact O-CD2 2.82Å; L661-H663 PolarHBondContact O-N 3.5Å
662K48.8Very low58.3Low200 Ų200100 Ų10087%0.8751%0.508SS*.  trans-73.589.1169.5-73.7-171.3175.9-173.10109.3K660 N664K660-K662 PolarHBondContact O-N 2.85Å; K662-N664 PolarHBondContact O-N 2.95Å
663H48.6Very low58.6Low71 Ų71100.9 Ų100.933%0.32951%0.514SS..  trans-59.5127.9165.9-75.9-91.7000109.5L661 E665 I668L661-H663 VanDerWaalsContact C-N 3.31Å; L661-H663 PolarHBondContact O-CD2 2.82Å; L661-H663 PolarHBondContact O-N 3.5Å; H663-E665 PolarHBondContact O-N 2.99Å; H663-E665 VanDerWaalsContact O-N 3.16Å; H663-I668 HydrophobicContact CB-CD1 4.4Å
664N47.5Very low59.6Low102 Ų10298.5 Ų98.555%0.54551%0.506SS..  trans-76.897.9173-79.8-21.6000108.6K662 S666 M667K662-N664 PolarHBondContact O-N 2.95Å; N664-S666 PolarHBondContact O-N 2.74Å; N664-S666 VanDerWaalsContact O-N 3.1Å; N664-M667 PolarHBondContact O-N 2.76Å
665E49.5Very low60.6Low144 Ų14490.8 Ų90.867%0.67347%0.473SS*.G310 helixtrans-48.7-38.4176.9-64.6170.213700111.9H663 M667 I668H663-E665 PolarHBondContact O-N 2.99Å; H663-E665 VanDerWaalsContact O-N 3.16Å; E665-M667 PolarHBondContact O-N 2.88Å; E665-I668 PolarHBondContact O-N 3.32Å
666S48.7Very low61.7Low98 Ų9888.4 Ų88.469%0.68546%0.459SS*.G310 helixtrans-67.4-0.9178.467.90000116.2N664N664-S666 PolarHBondContact O-N 2.74Å; N664-S666 VanDerWaalsContact O-N 3.1Å
667M48.8Very low63.3Low74 Ų7484 Ų8437%0.36544%0.437SS..G310 helixtrans-115.50.5171.1-73.3-179.3174.900113Q224 V226 N664 E665 T671Q224-M667 PolarHBondContact OE1-O 2.81Å; V226-M667 HydrophobicContact CB-CE 3.81Å; V226-M667 HydrophobicContact CB-SD 4.38Å; V226-M667 HydrophobicContact CG2-CE 3.66Å; V226-M667 HydrophobicContact CG2-SD 4.3Å; N664-M667 PolarHBondContact O-N 2.76Å; E665-M667 PolarHBondContact O-N 2.88Å; M667-T671 WeakPolarHBondContact O-CG2 3.31Å
668I54.9Low65.1Low37 Ų3781.1 Ų81.119%0.1942%0.418CS..THydrogen-bonded Turntrans-86.9-38.6-179.2-60.8178.3000111.2H663 E665 Y670 T671 Q676 A679H663-I668 HydrophobicContact CB-CD1 4.4Å; E665-I668 PolarHBondContact O-N 3.32Å; I668-Y670 VanDerWaalsContact C-N 3.26Å; I668-Y670 PolarHBondContact O-N 2.88Å; I668-T671 WeakPolarHBondContact O-CB 3.36Å; I668-T671 PolarHBondContact O-N 2.97Å; I668-T671 PolarHBondContact O-OG1 2.82Å; I668-Q676 HydrophobicContact CG2-CB 4.2Å; I668-Q676 HydrophobicContact CG2-CG 3.93Å; I668-Q676 WeakPolarHBondContact O-CG 3.35Å; I668-Q676 PolarHBondContact O-NE2 3.29Å; I668-A679 HydrophobicContact CD1-CB 4.25Å
669E56.8Low66.7Low86 Ų8678.6 Ų78.640%0.40240%0.401SS..THydrogen-bonded Turntrans-57.1-30.2-167.7-172.1167.4-14200114.8Q676 S713E669-Q676 PolarHBondContact O-NE2 2.74Å; E669-S713 WeakPolarHBondContact OE1-CB 3.25Å; E669-S713 PolarHBondContact OE1-OG 3.3Å
670Y61.1Low68.7Low179 Ų17973.3 Ų73.370%0.70237%0.371SS*.THydrogen-bonded Turntrans-93-7.1177.7-38.8-93.6000114.1Q224 I668Q224-Y670 VanDerWaalsContact NE2-CB 3.31Å; Q224-Y670 PolarHBondContact NE2-O 3.01Å; I668-Y670 VanDerWaalsContact C-N 3.26Å; I668-Y670 PolarHBondContact O-N 2.88Å
671T71Confident70.3Confident12 Ų1271.6 Ų71.67%0.07436%0.363CS..SBendtrans-70168.3-174.4560000112.4Q224 M667 I668 Q676Q224-T671 HydrophobicContact CB-CG2 3.72Å; Q224-T671 HydrophobicContact CG-CG2 3.83Å; M667-T671 WeakPolarHBondContact O-CG2 3.31Å; I668-T671 WeakPolarHBondContact O-CB 3.36Å; I668-T671 PolarHBondContact O-N 2.97Å; I668-T671 PolarHBondContact O-OG1 2.82Å; T671-Q676 PolarHBondContact O-NE2 3.43Å; T671-Q676 WeakPolarHBondContact OG1-CG 3.35Å
672S84.3Confident72.2Confident43 Ų4368.2 Ų68.230%0.30135%0.345SS..  trans-60.8147.5175.689.80000110.8N674 E675 Q676S672-N674 PolarHBondContact O-N 3.44Å; S672-E675 VanDerWaalsContact CB-OE1 3.25Å; S672-E675 WeakPolarHBondContact CB-OE1 3.25Å; S672-E675 WeakPolarHBondContact O-CA 3.45Å; S672-E675 WeakPolarHBondContact O-CB 3.21Å; S672-E675 PolarHBondContact O-N 2.88Å; S672-E675 PolarHBondContact OG-N 3.41Å; S672-E675 PolarHBondContact OG-OE1 2.68Å; S672-Q676 PolarHBondContact O-N 3.49Å
673S85.9Confident74.1Confident39 Ų3962.2 Ų62.227%0.27332%0.32SS..Hα-helixtrans-57-24.4179.6-61.90000113.5A677 R701 F716S673-A677 WeakPolarHBondContact O-CB 3.32Å; S673-A677 PolarHBondContact O-N 3.33Å; S673-R701 PolarHBondContact OG-NH1 3.31Å; S673-F716 WeakPolarHBondContact O-CZ 3.41Å
674N87.9Confident76.2Confident90 Ų9060.2 Ų60.248%0.48131%0.311SS..Hα-helixtrans-69.2-41.2173.2-62.8-43.2000112S672 E678 W770S672-N674 PolarHBondContact O-N 3.44Å; N674-E678 PolarHBondContact O-N 3.36Å; N674-W770 WeakPolarHBondContact OD1-CH2 3.5Å; N674-W770 VanDerWaalsContact OD1-CZ2 3.25Å; N674-W770 WeakPolarHBondContact OD1-CZ2 3.35Å
675E87.2Confident78.3Confident22 Ų2258.8 Ų58.810%0.10330%0.3CS..Hα-helixtrans-70.1-43.1176.3-74.9139.2-118.200111.7D221 S222 D223 S672 A677 E678 A679D221-E675 WeakPolarHBondContact O-CG 3.47Å; S222-E675 WeakPolarHBondContact CA-OE2 3.17Å; S222-E675 VanDerWaalsContact CB-OE2 3.25Å; S222-E675 WeakPolarHBondContact CB-OE2 3.31Å; D223-E675 PolarHBondContact N-OE2 3.31Å; S672-E675 VanDerWaalsContact CB-OE1 3.25Å; S672-E675 WeakPolarHBondContact CB-OE1 3.25Å; S672-E675 WeakPolarHBondContact O-CA 3.45Å; S672-E675 WeakPolarHBondContact O-CB 3.21Å; S672-E675 PolarHBondContact O-N 2.88Å; S672-E675 PolarHBondContact OG-N 3.41Å; S672-E675 PolarHBondContact OG-OE1 2.68Å; E675-A677 VanDerWaalsContact C-N 3.32Å; E675-A677 PolarHBondContact O-N 3.05Å; E675-E678 PolarHBondContact O-N 2.85Å; E675-A679 WeakPolarHBondContact O-CB 3.25Å; E675-A679 PolarHBondContact O-N 3.42Å
676Q89Confident80.1Confident13 Ų1354.4 Ų54.46%0.06128%0.281CS..Hα-helixtrans-57.7-46.2174.1-61.6-171.914.200111.2I668 E669 T671 S672 A680 F716I668-Q676 HydrophobicContact CG2-CB 4.2Å; I668-Q676 HydrophobicContact CG2-CG 3.93Å; I668-Q676 WeakPolarHBondContact O-CG 3.35Å; I668-Q676 PolarHBondContact O-NE2 3.29Å; E669-Q676 PolarHBondContact O-NE2 2.74Å; T671-Q676 PolarHBondContact O-NE2 3.43Å; T671-Q676 WeakPolarHBondContact OG1-CG 3.35Å; S672-Q676 PolarHBondContact O-N 3.49Å; Q676-A680 WeakPolarHBondContact O-CB 3.25Å; Q676-A680 PolarHBondContact O-N 2.81Å; Q676-F716 HydrophobicContact CB-CD2 3.66Å; Q676-F716 HydrophobicContact CB-CE2 3.35Å; Q676-F716 HydrophobicContact CB-CZ 4.3Å; Q676-F716 HydrophobicContact CG-CE2 4.39Å
677A92.3Very high82.1Confident3 Ų354.4 Ų54.43%0.02527%0.269CS..Hα-helixtrans-66.3-46.4179.700000113.4S673 E675 A680 W681 L699 F716 W770S673-A677 WeakPolarHBondContact O-CB 3.32Å; S673-A677 PolarHBondContact O-N 3.33Å; E675-A677 VanDerWaalsContact C-N 3.32Å; E675-A677 PolarHBondContact O-N 3.05Å; A677-A680 PolarHBondContact O-N 3.48Å; A677-W681 VanDerWaalsContact O-CB 3.3Å; A677-W681 WeakPolarHBondContact O-CB 3.19Å; A677-W681 PolarHBondContact O-N 2.97Å; A677-L699 HydrophobicContact CB-CD2 3.91Å; A677-F716 HydrophobicContact CB-CD1 3.67Å; A677-F716 HydrophobicContact CB-CE1 3.62Å; A677-F716 HydrophobicContact CB-CG 4.16Å; A677-F716 HydrophobicContact CB-CZ 4.09Å; A677-W770 HydrophobicContact CB-CD2 4.18Å; A677-W770 HydrophobicContact CB-CG 4.31Å; A677-W770 HydrophobicContact CB-CZ2 3.97Å
678E90.1Very high84.2Confident89 Ų8952.1 Ų52.142%0.41626%0.258SS..Hα-helixtrans-71.9-34.5179-171.159.9-139.900111.4N674 E675 W681 I682 K685N674-E678 PolarHBondContact O-N 3.36Å; E675-E678 PolarHBondContact O-N 2.85Å; E678-W681 PolarHBondContact O-N 3.09Å; E678-I682 HydrophobicContact CG-CD1 3.84Å; E678-I682 HydrophobicContact CG-CG1 4.2Å; E678-I682 WeakPolarHBondContact O-CB 3.45Å; E678-I682 VanDerWaalsContact O-CG1 3.24Å; E678-I682 WeakPolarHBondContact O-CG1 3.48Å; E678-I682 PolarHBondContact O-N 2.56Å; E678-I682 WeakPolarHBondContact OE1-CG1 3.25Å; E678-K685 IonicContact OE1-NZ 3.19Å; E678-K685 PolarHBondContact OE1-NZ 2.86Å
679A88.4Confident86Confident15 Ų1553.4 Ų53.412%0.12427%0.265CS..Hα-helixtrans-61.3-45.9172.900000111.6I668 E675 I682 Q683I668-A679 HydrophobicContact CD1-CB 4.25Å; E675-A679 WeakPolarHBondContact O-CB 3.25Å; E675-A679 PolarHBondContact O-N 3.42Å; A679-I682 PolarHBondContact O-N 3.06Å; A679-Q683 VanDerWaalsContact O-CB 3.3Å; A679-Q683 WeakPolarHBondContact O-CB 3.2Å; A679-Q683 PolarHBondContact O-N 2.85Å
680A91.6Very high87.8Confident24 Ų2449.7 Ų49.720%0.19825%0.249CC..Hα-helixtrans-63.2-41174.300000112.2Q676 A677 Q683 H684 F716Q676-A680 WeakPolarHBondContact O-CB 3.25Å; Q676-A680 PolarHBondContact O-N 2.81Å; A677-A680 PolarHBondContact O-N 3.48Å; A680-Q683 PolarHBondContact O-N 2.8Å; A680-H684 WeakPolarHBondContact O-CB 3.37Å; A680-H684 PolarHBondContact O-N 3.48Å; A680-F716 HydrophobicContact CB-CB 3.64Å
681W92.9Very high89.4Confident29 Ų2942.4 Ų42.411%0.1122%0.222CC..Hα-helixtrans-69.2-35.3178-171.2-117.2000112.6A677 E678 H684 K685 V693 Q697 L699 V718A677-W681 VanDerWaalsContact O-CB 3.3Å; A677-W681 WeakPolarHBondContact O-CB 3.19Å; A677-W681 PolarHBondContact O-N 2.97Å; E678-W681 PolarHBondContact O-N 3.09Å; W681-H684 AromaticContact CZ3-CD2 3.95Å; W681-K685 VanDerWaalsContact C-CE 3.48Å; W681-K685 WeakPolarHBondContact O-CB 3.36Å; W681-K685 WeakPolarHBondContact O-CE 3.43Å; W681-K685 VanDerWaalsContact O-CG 3.32Å; W681-K685 WeakPolarHBondContact O-CG 3.21Å; W681-K685 PolarHBondContact O-N 3.44Å; W681-V693 HydrophobicContact CH2-CG1 4.03Å; W681-V693 HydrophobicContact CZ2-CG1 4.31Å; W681-Q697 HydrophobicContact CH2-CB 4.14Å; W681-Q697 HydrophobicContact CZ3-CB 4.44Å; W681-L699 HydrophobicContact CE3-CD1 4.4Å; W681-V718 HydrophobicContact CE3-CG2 4.1Å; W681-V718 HydrophobicContact CZ3-CG1 4.29Å; W681-V718 HydrophobicContact CZ3-CG2 4.02Å
682I90.1Very high90.7Very high62 Ų6241.9 Ų41.932%0.31822%0.218SC..Hα-helixtrans-64.9-52.2170.3-71.9168.8000110.4E678 A679 H684 K685 D686E678-I682 HydrophobicContact CG-CD1 3.84Å; E678-I682 HydrophobicContact CG-CG1 4.2Å; E678-I682 WeakPolarHBondContact O-CB 3.45Å; E678-I682 VanDerWaalsContact O-CG1 3.24Å; E678-I682 WeakPolarHBondContact O-CG1 3.48Å; E678-I682 PolarHBondContact O-N 2.56Å; E678-I682 WeakPolarHBondContact OE1-CG1 3.25Å; A679-I682 PolarHBondContact O-N 3.06Å; I682-H684 PolarHBondContact O-N 2.87Å; I682-K685 PolarHBondContact O-N 3.24Å; I682-K685 VanDerWaalsContact O-N 3.1Å; I682-D686 PolarHBondContact O-N 2.93Å
683Q89.8Confident91.3Very high75 Ų7540 Ų4035%0.3521%0.205SC..Hα-helixtrans-56.4-36.6177.5-178.2176.4-500111.9A679 A680 F687A679-Q683 VanDerWaalsContact O-CB 3.3Å; A679-Q683 WeakPolarHBondContact O-CB 3.2Å; A679-Q683 PolarHBondContact O-N 2.85Å; A680-Q683 PolarHBondContact O-N 2.8Å; Q683-F687 VanDerWaalsContact O-CD2 3.28Å; Q683-F687 WeakPolarHBondContact O-CD2 3.26Å
684H93.3Very high91.7Very high29 Ų2941.5 Ų41.513%0.13422%0.216CC..Hα-helixtrans-66.6-52.3172.6179.571000112.5A680 W681 I682 D686 F687 N688 Q697 V718A680-H684 WeakPolarHBondContact O-CB 3.37Å; A680-H684 PolarHBondContact O-N 3.48Å; W681-H684 AromaticContact CZ3-CD2 3.95Å; I682-H684 PolarHBondContact O-N 2.87Å; H684-D686 PolarHBondContact O-N 3.21Å; H684-F687 PolarHBondContact O-N 2.85Å; H684-N688 PolarHBondContact CE1-ND2 2.66Å; H684-N688 PolarHBondContact ND1-ND2 2.97Å; H684-N688 WeakPolarHBondContact O-CB 3.17Å; H684-N688 PolarHBondContact O-N 2.97Å; H684-Q697 PolarHBondContact CE1-OE1 2.89Å; H684-Q697 PolarHBondContact NE2-OE1 2.68Å; H684-V718 HydrophobicContact CB-CG2 4.2Å
685K91.1Very high92.1Very high72 Ų7237.5 Ų37.531%0.31320%0.195SC..Hα-helixtrans-55.3-34.9177-76173.4-69.3-178.30112.5E678 W681 I682 F687 N688E678-K685 IonicContact OE1-NZ 3.19Å; E678-K685 PolarHBondContact OE1-NZ 2.86Å; W681-K685 VanDerWaalsContact C-CE 3.48Å; W681-K685 WeakPolarHBondContact O-CB 3.36Å; W681-K685 WeakPolarHBondContact O-CE 3.43Å; W681-K685 VanDerWaalsContact O-CG 3.32Å; W681-K685 WeakPolarHBondContact O-CG 3.21Å; W681-K685 PolarHBondContact O-N 3.44Å; I682-K685 PolarHBondContact O-N 3.24Å; I682-K685 VanDerWaalsContact O-N 3.1Å; K685-F687 PolarHBondContact O-N 3.12Å; K685-N688 PolarHBondContact O-N 2.83Å
686D87.9Confident92.6Very high51 Ų5136.4 Ų36.427%0.27319%0.19SC..THydrogen-bonded Turntrans-59.4-23.5177.4-107.529.5000113.3K660 I682 H684K660-D686 WeakPolarHBondContact CE-O 3.28Å; K660-D686 PolarHBondContact NZ-O 3.25Å; I682-D686 PolarHBondContact O-N 2.93Å; H684-D686 PolarHBondContact O-N 3.21Å
687F89.7Confident93Very high98 Ų9836.5 Ų36.543%0.4319%0.19SC..THydrogen-bonded Turntrans-116.2-17.8175.7-61.7-81.1000114.1N648 R651 K660 Q683 H684 K685N648-F687 PolarHBondContact ND2-O 2.94Å; N648-F687 PolarHBondContact OD1-O 3.19Å; R651-F687 WeakPolarHBondContact CG-O 3.34Å; R651-F687 PolarHBondContact NE-O 2.8Å; K660-F687 HydrophobicContact CD-CD1 4.39Å; K660-F687 HydrophobicContact CD-CE1 3.87Å; K660-F687 HydrophobicContact CD-CZ 4.1Å; Q683-F687 VanDerWaalsContact O-CD2 3.28Å; Q683-F687 WeakPolarHBondContact O-CD2 3.26Å; H684-F687 PolarHBondContact O-N 2.85Å; K685-F687 PolarHBondContact O-N 3.12Å
688N93.2Very high93.2Very high27 Ų2736.4 Ų36.414%0.14419%0.189CC..  trans-137.496.3-167.7-55.9-36.8000109.9N648 R651 H684 K685 V693N648-N688 WeakPolarHBondContact OD1-CA 3.36Å; R651-N688 PolarHBondContact NH2-OD1 3.1Å; H684-N688 PolarHBondContact CE1-ND2 2.66Å; H684-N688 PolarHBondContact ND1-ND2 2.97Å; H684-N688 WeakPolarHBondContact O-CB 3.17Å; H684-N688 PolarHBondContact O-N 2.97Å; K685-N688 PolarHBondContact O-N 2.83Å; N688-V693 HydrophobicContact CB-CG2 4.36Å
689N92.3Very high93.5Very high64 Ų6432.3 Ų32.334%0.34217%0.17SC..  trans-134.5108.3175-174.256.3000111.1N648 E649 A650N648-N689 CarbonylContact C-O 3.6Å; N648-N689 WeakPolarHBondContact CA-O 3.44Å; N648-N689 PolarHBondContact OD1-N 3.3Å; E649-N689 PolarHBondContact N-O 3.44Å; E649-N689 PolarHBondContact OE2-ND2 2.74Å; A650-N689 HydrophobicContact CB-CB 3.92Å
690S94.9Very high93.9Very high8 Ų832.6 Ų32.66%0.05617%0.169CC..SBendtrans-159.2175.2169.4800000111.1H644 L647 I692 V693 S694H644-S690 PolarHBondContact ND1-OG 3.27Å; H644-S690 PolarHBondContact O-OG 3.36Å; L647-S690 WeakPolarHBondContact O-CB 3.11Å; S690-I692 PolarHBondContact O-N 3.14Å; S690-I692 VanDerWaalsContact O-N 3.1Å; S690-I692 PolarHBondContact OG-N 2.86Å; S690-V693 WeakPolarHBondContact O-CB 3.31Å; S690-V693 PolarHBondContact O-N 2.66Å; S690-S694 PolarHBondContact O-N 2.71Å
691I95.4Very high94.2Very high26 Ų2633.7 Ų33.713%0.13317%0.168CC..Hα-helixtrans-50.5-37177.2-171.961.6000112.5L564 Y567 L647 V693 S694 S695L564-I691 HydrophobicContact CD2-CG1 4.28Å; L564-I691 HydrophobicContact CD2-CG2 4.31Å; Y567-I691 HydrophobicContact CD1-CB 4.33Å; Y567-I691 HydrophobicContact CD1-CG1 4.37Å; Y567-I691 HydrophobicContact CD1-CG2 3.92Å; Y567-I691 HydrophobicContact CD2-CB 4.05Å; Y567-I691 HydrophobicContact CD2-CD1 4.04Å; Y567-I691 HydrophobicContact CD2-CG1 3.92Å; Y567-I691 HydrophobicContact CE1-CB 4.25Å; Y567-I691 HydrophobicContact CE1-CG2 3.76Å; Y567-I691 HydrophobicContact CE2-CB 3.96Å; Y567-I691 HydrophobicContact CE2-CG1 4.36Å; Y567-I691 HydrophobicContact CE2-CG2 4.38Å; Y567-I691 HydrophobicContact CG-CB 4.22Å; Y567-I691 HydrophobicContact CG-CD1 4.41Å; Y567-I691 HydrophobicContact CG-CG1 3.92Å; Y567-I691 HydrophobicContact CG-CG2 4.3Å; L647-I691 HydrophobicContact CD1-CG2 3.63Å; I691-V693 VanDerWaalsContact C-N 3.32Å; I691-V693 PolarHBondContact O-N 2.89Å; I691-S694 WeakPolarHBondContact CA-OG 3.25Å; I691-S694 PolarHBondContact O-N 2.86Å; I691-S694 PolarHBondContact O-OG 3.36Å; I691-S695 WeakPolarHBondContact O-CB 3.01Å; I691-S695 PolarHBondContact O-N 2.88Å; I691-S695 PolarHBondContact O-OG 3.49Å; I691-S695 VanDerWaalsContact O-OG 3.13Å
692I97.3Very high94.3Very high0 Ų032.8 Ų32.80%017%0.167CC..Hα-helixtrans-63.8-37.3179.5-52-56.8000111.7L564 L640 L643 H644 S690 F696 M720L564-I692 HydrophobicContact CD2-CD1 3.95Å; L640-I692 HydrophobicContact CB-CG2 4.37Å; L640-I692 HydrophobicContact CD2-CD1 4.14Å; L643-I692 HydrophobicContact CB-CD1 4.04Å; L643-I692 HydrophobicContact CB-CG1 4.11Å; H644-I692 HydrophobicContact CB-CB 3.98Å; H644-I692 HydrophobicContact CB-CG1 4.13Å; H644-I692 HydrophobicContact CB-CG2 4.18Å; S690-I692 PolarHBondContact O-N 3.14Å; S690-I692 VanDerWaalsContact O-N 3.1Å; S690-I692 PolarHBondContact OG-N 2.86Å; I692-F696 HydrophobicContact CD1-CD2 4.27Å; I692-F696 HydrophobicContact CD1-CE2 4.21Å; I692-F696 HydrophobicContact CG2-CD2 4.14Å; I692-F696 PolarHBondContact O-N 3.25Å; I692-M720 HydrophobicContact CG2-CE 3.82Å; I692-M720 HydrophobicContact CG2-SD 4.37Å
693V96.4Very high94.6Very high4 Ų430.2 Ų30.22%0.02415%0.154CC..Hα-helixtrans-67.8-43.7177.3-178.90000110.9H644 W681 N688 S690 I691H644-V693 WeakPolarHBondContact CE1-CG2 3.42Å; H644-V693 WeakPolarHBondContact ND1-CG2 3.49Å; W681-V693 HydrophobicContact CH2-CG1 4.03Å; W681-V693 HydrophobicContact CZ2-CG1 4.31Å; N688-V693 HydrophobicContact CB-CG2 4.36Å; S690-V693 WeakPolarHBondContact O-CB 3.31Å; S690-V693 PolarHBondContact O-N 2.66Å; I691-V693 VanDerWaalsContact C-N 3.32Å; I691-V693 PolarHBondContact O-N 2.89Å
694S94.4Very high94.9Very high70 Ų7027.5 Ų27.549%0.4914%0.142SC..Hα-helixtrans-70.5-33.1177.246.20000113.4S690 I691S690-S694 PolarHBondContact O-N 2.71Å; I691-S694 WeakPolarHBondContact CA-OG 3.25Å; I691-S694 PolarHBondContact O-N 2.86Å; I691-S694 PolarHBondContact O-OG 3.36Å
695S96.5Very high95.1Very high6 Ų629.9 Ų29.94%0.04215%0.152CC..Hα-helixtrans-91-44.5-172.1-69.30000113.7I691 T774 Y775I691-S695 WeakPolarHBondContact O-CB 3.01Å; I691-S695 PolarHBondContact O-N 2.88Å; I691-S695 PolarHBondContact O-OG 3.49Å; I691-S695 VanDerWaalsContact O-OG 3.13Å; S695-T774 PolarHBondContact O-N 3.1Å; S695-Y775 PolarHBondContact O-N 2.85Å
696F98.2Very high95.4Very high0 Ų026.4 Ų26.40%014%0.137CC..Hα-helixtrans-114.6-11.4-167.8-64.5-83.3000115L558 T561 L564 L640 I692 M720 P773 Y775 I777L558-F696 HydrophobicContact CD2-CE1 4.45Å; L558-F696 HydrophobicContact CD2-CZ 4.01Å; T561-F696 HydrophobicContact CG2-CE1 4.32Å; T561-F696 HydrophobicContact CG2-CE2 4.45Å; T561-F696 HydrophobicContact CG2-CZ 3.7Å; L564-F696 HydrophobicContact CD1-CE2 3.86Å; L564-F696 HydrophobicContact CD1-CZ 3.89Å; L564-F696 HydrophobicContact CD2-CE2 4.16Å; L564-F696 HydrophobicContact CG-CE2 4.07Å; L564-F696 HydrophobicContact CG-CZ 4.32Å; L640-F696 HydrophobicContact CD2-CD2 4.18Å; L640-F696 HydrophobicContact CD2-CE2 3.94Å; L640-F696 HydrophobicContact CD2-CZ 4.18Å; I692-F696 HydrophobicContact CD1-CD2 4.27Å; I692-F696 HydrophobicContact CD1-CE2 4.21Å; I692-F696 HydrophobicContact CG2-CD2 4.14Å; I692-F696 PolarHBondContact O-N 3.25Å; F696-M720 HydrophobicContact CB-CG 3.92Å; F696-P773 VanDerWaalsContact O-CB 3.3Å; F696-P773 WeakPolarHBondContact O-CB 3.35Å; F696-Y775 HydrophobicContact CE1-CG 4.32Å; F696-I777 HydrophobicContact CD1-CD1 3.64Å; F696-I777 HydrophobicContact CD1-CG1 3.95Å; F696-I777 HydrophobicContact CE1-CD1 3.84Å; F696-I777 HydrophobicContact CE1-CG1 4.21Å
697Q97.9Very high95.8Very high15 Ų1526.9 Ų26.97%0.0714%0.14CC..  trans-96.8118.1-174.4-68.9-179.6-6.600114.5W681 H684 V718 F719 M720 K771W681-Q697 HydrophobicContact CH2-CB 4.14Å; W681-Q697 HydrophobicContact CZ3-CB 4.44Å; H684-Q697 PolarHBondContact CE1-OE1 2.89Å; H684-Q697 PolarHBondContact NE2-OE1 2.68Å; Q697-V718 HydrophobicContact CB-CG1 3.89Å; Q697-V718 HydrophobicContact CG-CG1 4.07Å; Q697-F719 VanDerWaalsContact CA-O 3.3Å; Q697-F719 WeakPolarHBondContact CA-O 3.32Å; Q697-M720 HydrophobicContact CG-CB 4.41Å; Q697-M720 HydrophobicContact CG-CE 4.28Å; Q697-M720 HydrophobicContact CG-CG 4.47Å; Q697-K771 PolarHBondContact O-NZ 2.66Å
698G95.6Very high96.1Very high0 Ų025.2 Ų25.20%014%0.14CC..EExtended strand (participates in β ladder)trans-100-174169.300000112.4V718 F719 K771G698-V718 WeakPolarHBondContact O-CA 3.47Å; G698-F719 VanDerWaalsContact C-CD1 3.45Å; G698-F719 PolarHBondContact N-O 3.19Å; G698-F719 PolarHBondContact O-N 2.87Å; G698-F719 VanDerWaalsContact O-N 3.12Å; G698-K771 CarbonylContact C-O 3.58Å; G698-K771 VanDerWaalsContact CA-O 3.23Å; G698-K771 WeakPolarHBondContact CA-O 3.5Å
699L96.6Very high96.2Very high3 Ų326.3 Ų26.32%0.01615%0.149CC..EExtended strand (participates in β ladder)trans-133.2131178-162.470.4000109.8A677 W681 F716 V718 W770 K771A677-L699 HydrophobicContact CB-CD2 3.91Å; W681-L699 HydrophobicContact CE3-CD1 4.4Å; L699-F716 HydrophobicContact CD1-CB 4.22Å; L699-F716 HydrophobicContact CD2-CB 4.13Å; L699-F716 HydrophobicContact CD2-CD1 3.82Å; L699-F716 HydrophobicContact CD2-CG 4.37Å; L699-F716 HydrophobicContact CG-CB 4.25Å; L699-F716 HydrophobicContact CG-CD1 4.19Å; L699-V718 HydrophobicContact CD1-CG2 3.71Å; L699-W770 HydrophobicContact CB-CB 4.45Å; L699-W770 HydrophobicContact CD2-CG 4.43Å; L699-W770 WeakPolarHBondContact O-CA 3.4Å; L699-W770 WeakPolarHBondContact O-CB 3.43Å; L699-W770 PolarHBondContact O-N 2.98Å; L699-K771 HydrophobicContact CB-CB 3.92Å; L699-K771 PolarHBondContact N-O 2.87Å; L699-K771 PolarHBondContact O-N 3.38Å
700L97.4Very high96.3Very high21 Ų2128.9 Ų28.911%0.1116%0.159CC..EExtended strand (participates in β ladder)trans-93.9153.1167.6-56.8-178.8000109.7F716 D717 F719 L722 E768 L769L700-F716 CarbonylContact O-C 3.43Å; L700-F716 VanDerWaalsContact O-CA 3.31Å; L700-F716 WeakPolarHBondContact O-CA 3.47Å; L700-D717 PolarHBondContact N-O 2.88Å; L700-D717 PolarHBondContact O-N 3.01Å; L700-F719 HydrophobicContact CD1-CB 4.46Å; L700-F719 HydrophobicContact CD2-CD1 3.58Å; L700-F719 HydrophobicContact CD2-CE1 3.82Å; L700-F719 HydrophobicContact CD2-CG 4.27Å; L700-F719 HydrophobicContact CG-CB 4.3Å; L700-F719 HydrophobicContact CG-CD1 3.67Å; L700-F719 HydrophobicContact CG-CE1 4.38Å; L700-F719 HydrophobicContact CG-CG 4.28Å; L700-L722 HydrophobicContact CD2-CD2 4.28Å; L700-E768 CarbonylContact C-O 3.57Å; L700-E768 WeakPolarHBondContact CA-O 3.15Å; L700-L769 HydrophobicContact CD2-CD2 3.61Å
701R96.8Very high96.2Very high47 Ų4730.7 Ų30.718%0.17717%0.169CC..EExtended strand (participates in β ladder)trans-102.9114.2156.7-178.9171.372-172.8-2107.8S673 T714 F716 I767 E768 W770S673-R701 PolarHBondContact OG-NH1 3.31Å; R701-T714 HydrophobicContact CG-CG2 3.64Å; R701-F716 HydrophobicContact CB-CD1 4.18Å; R701-F716 HydrophobicContact CB-CE1 3.63Å; R701-F716 HydrophobicContact CB-CZ 4.07Å; R701-F716 HydrophobicContact CG-CE1 3.82Å; R701-F716 HydrophobicContact CG-CE2 4.34Å; R701-F716 HydrophobicContact CG-CZ 3.71Å; R701-I767 CarbonylContact O-C 3.48Å; R701-I767 WeakPolarHBondContact O-CA 3.33Å; R701-E768 HydrophobicContact CB-CB 4.38Å; R701-E768 IonicContact CZ-OE1 2.74Å; R701-E768 IonicContact CZ-OE2 2.76Å; R701-E768 VanDerWaalsContact CZ-OE2 3.25Å; R701-E768 PolarHBondContact N-O 2.89Å; R701-E768 IonicContact NE-OE1 2.87Å; R701-E768 IonicContact NE-OE2 3.42Å; R701-E768 PolarHBondContact NE-OE2 2.8Å; R701-E768 IonicContact NH2-OE1 3.25Å; R701-E768 PolarHBondContact NH2-OE1 3.28Å; R701-E768 IonicContact NH2-OE2 3.39Å; R701-E768 PolarHBondContact NH2-OE2 2.9Å; R701-E768 PolarHBondContact O-N 2.89Å; R701-W770 HydrophobicContact CB-CE3 4.38Å
702S96.3Very high96.1Very high11 Ų1132.6 Ų32.68%0.07718%0.182CC..EExtended strand (participates in β ladder)trans-98.9126.6171.9168.90000108.9T714 T715 D717S702-T714 CarbonylContact O-C 3.57Å; S702-T714 WeakPolarHBondContact O-CA 3.36Å; S702-T715 WeakPolarHBondContact CB-OG1 3.4Å; S702-T715 PolarHBondContact N-O 3.23Å; S702-T715 PolarHBondContact O-N 3.1Å; S702-D717 VanDerWaalsContact CB-OD2 3.25Å; S702-D717 WeakPolarHBondContact CB-OD2 3.42Å
703T95.8Very high95.8Very high7 Ų734 Ų344%0.04319%0.192CC..EExtended strand (participates in β ladder)trans-124.7132.2-179.1-47.20000110.1T712 K765 W766T703-T712 HydrophobicContact CG2-CG2 4.29Å; T703-K765 WeakPolarHBondContact O-CA 3.32Å; T703-W766 HydrophobicContact CG2-CH2 3.58Å; T703-W766 HydrophobicContact CG2-CZ2 3.43Å; T703-W766 VanDerWaalsContact CG2-CZ2 3.43Å; T703-W766 HydrophobicContact CG2-CZ3 4.25Å; T703-W766 PolarHBondContact N-O 2.88Å; T703-W766 PolarHBondContact O-N 3.43Å
704V96.2Very high95.7Very high18 Ų1835.2 Ų35.211%0.10920%0.2CC..EExtended strand (participates in β ladder)trans-121124.7172.2-170.60000109.4T712 S713 M746 W752 A763 S764 K765V704-T712 CarbonylContact O-C 3.6Å; V704-T712 VanDerWaalsContact O-CA 3.31Å; V704-T712 WeakPolarHBondContact O-CA 3.05Å; V704-S713 PolarHBondContact N-O 3.37Å; V704-S713 PolarHBondContact O-N 3.14Å; V704-M746 HydrophobicContact CG1-SD 3.92Å; V704-W752 HydrophobicContact CB-CD2 4.25Å; V704-W752 HydrophobicContact CB-CE3 4.48Å; V704-W752 HydrophobicContact CB-CZ2 4.4Å; V704-W752 HydrophobicContact CG1-CB 4.11Å; V704-W752 HydrophobicContact CG1-CD2 3.44Å; V704-W752 VanDerWaalsContact CG1-CD2 3.44Å; V704-W752 HydrophobicContact CG1-CE3 3.64Å; V704-W752 HydrophobicContact CG1-CG 3.64Å; V704-W752 HydrophobicContact CG1-CZ2 4.45Å; V704-W752 HydrophobicContact CG1-CZ3 4.21Å; V704-A763 HydrophobicContact CG1-CB 3.99Å; V704-S764 CarbonylContact C-O 3.35Å; V704-S764 WeakPolarHBondContact CA-O 3.42Å; V704-K765 HydrophobicContact CG2-CB 4.25Å; V704-K765 HydrophobicContact CG2-CD 4.29Å; V704-K765 HydrophobicContact CG2-CG 4.02Å
705K96.7Very high95.6Very high79 Ų7935.1 Ų35.134%0.34320%0.197SC..EExtended strand (participates in β ladder)trans-115.1125.8-179.6-172.5175-178.7177.10111.3N707 H710 V711 T712 A763 S764 W766K705-N707 PolarHBondContact O-N 2.64Å; K705-N707 PolarHBondContact O-OD1 2.99Å; K705-H710 WeakPolarHBondContact CE-O 3.49Å; K705-V711 WeakPolarHBondContact CA-O 3.43Å; K705-T712 HydrophobicContact CB-CG2 3.95Å; K705-T712 HydrophobicContact CD-CG2 4.1Å; K705-T712 HydrophobicContact CG-CG2 3.84Å; K705-A763 CarbonylContact O-C 3.56Å; K705-A763 WeakPolarHBondContact O-CA 3.21Å; K705-A763 VanDerWaalsContact O-CB 3.24Å; K705-A763 WeakPolarHBondContact O-CB 3.27Å; K705-S764 PolarHBondContact N-O 3.33Å; K705-S764 PolarHBondContact O-N 2.96Å; K705-W766 HydrophobicContact CB-CH2 4.04Å; K705-W766 HydrophobicContact CB-CZ3 3.81Å
706C97.2Very high95.5Very high0 Ų035.9 Ų35.90%020%0.199CC..EExtended strand (participates in β ladder)trans-70129175.9-177.60000112.1S708 H710 V711 W752 C754C706-S708 PolarHBondContact O-N 3.35Å; C706-S708 PolarHBondContact SG-N 2.82Å; C706-S708 VanDerWaalsContact SG-N 3.37Å; C706-H710 WeakPolarHBondContact O-CA 3.13Å; C706-H710 PolarHBondContact O-N 3.23Å; C706-H710 PolarHBondContact O-ND1 3.47Å; C706-V711 HydrophobicContact CB-CG1 4.15Å; C706-V711 PolarHBondContact N-O 3.29Å; C706-W752 HydrophobicContact CB-CE3 4.28Å; C706-W752 HydrophobicContact CB-CZ3 3.94Å; C706-C754 HydrophobicContact CB-CB 4.02Å; C706-C754 WeakPolarHBondContact CB-SG 3.46Å; C706-C754 VanDerWaalsContact SG-SG 3.67Å
707N96.8Very high95.4Very high61 Ų6139.4 Ų39.433%0.32622%0.218SC..THydrogen-bonded Turntrans-75-14.3178.8-63-9.4000112.5K705 H710 E745 D762 S764K705-N707 PolarHBondContact O-N 2.64Å; K705-N707 PolarHBondContact O-OD1 2.99Å; N707-H710 PolarHBondContact O-CE1 2.99Å; N707-H710 VanDerWaalsContact O-CE1 3.23Å; N707-E745 PolarHBondContact ND2-OE2 3.12Å; N707-D762 VanDerWaalsContact CB-O 3.3Å; N707-D762 WeakPolarHBondContact CB-O 3.39Å; N707-D762 PolarHBondContact N-O 2.96Å; N707-S764 PolarHBondContact OD1-N 3.35Å; N707-S764 VanDerWaalsContact OD1-N 3.16Å; N707-S764 PolarHBondContact OD1-OG 3.09Å
708S95.7Very high95.3Very high63 Ų6341.2 Ų41.244%0.44123%0.23SC..THydrogen-bonded Turntrans-96.1-41.8179.4-51.40000115.4C706 R761C706-S708 PolarHBondContact O-N 3.35Å; C706-S708 PolarHBondContact SG-N 2.82Å; C706-S708 VanDerWaalsContact SG-N 3.37Å; S708-R761 WeakPolarHBondContact OG-CD 3.41Å
709C95.9Very high95.4Very high50 Ų5042 Ų4234%0.33823%0.233SC..THydrogen-bonded Turntrans-116.8-0.318069.50000114.3V711C709-V711 PolarHBondContact O-N 2.88Å
710H94.8Very high95.4Very high118 Ų11843.1 Ų43.155%0.54624%0.239SC..  trans60.55.7175.7-54.2-31.1000117.3K705 C706 N707K705-H710 WeakPolarHBondContact CE-O 3.49Å; C706-H710 WeakPolarHBondContact O-CA 3.13Å; C706-H710 PolarHBondContact O-N 3.23Å; C706-H710 PolarHBondContact O-ND1 3.47Å; N707-H710 PolarHBondContact O-CE1 2.99Å; N707-H710 VanDerWaalsContact O-CE1 3.23Å
711V93.3Very high95.5Very high45 Ų4543.1 Ų43.127%0.27324%0.239SC..  trans-54.4141.6165.384.20000109.7K705 C706 C709 W752 C754K705-V711 WeakPolarHBondContact CA-O 3.43Å; C706-V711 HydrophobicContact CB-CG1 4.15Å; C706-V711 PolarHBondContact N-O 3.29Å; C709-V711 PolarHBondContact O-N 2.88Å; V711-W752 HydrophobicContact CG1-CH2 4.14Å; V711-W752 HydrophobicContact CG1-CZ3 4.11Å; V711-C754 WeakPolarHBondContact CG1-SG 3.08Å
712T92.1Very high95.5Very high66 Ų6641 Ų4141%0.40523%0.231SC..EExtended strand (participates in β ladder)trans-109.9134.7169.747.40000108.7T703 V704 K705T703-T712 HydrophobicContact CG2-CG2 4.29Å; V704-T712 CarbonylContact O-C 3.6Å; V704-T712 VanDerWaalsContact O-CA 3.31Å; V704-T712 WeakPolarHBondContact O-CA 3.05Å; K705-T712 HydrophobicContact CB-CG2 3.95Å; K705-T712 HydrophobicContact CD-CG2 4.1Å; K705-T712 HydrophobicContact CG-CG2 3.84Å
713S92.3Very high95.6Very high30 Ų3041.9 Ų41.921%0.2124%0.238CC..EExtended strand (participates in β ladder)trans-112.3137.4161-163.40000108.2E669 V704E669-S713 WeakPolarHBondContact OE1-CB 3.25Å; E669-S713 PolarHBondContact OE1-OG 3.3Å; V704-S713 PolarHBondContact N-O 3.37Å; V704-S713 PolarHBondContact O-N 3.14Å
714T92.4Very high95.7Very high30 Ų3041.6 Ų41.618%0.18424%0.236CC..EExtended strand (participates in β ladder)trans-128.7129.3-168.9-52.80000109.1R701 S702 F716R701-T714 HydrophobicContact CG-CG2 3.64Å; S702-T714 CarbonylContact O-C 3.57Å; S702-T714 WeakPolarHBondContact O-CA 3.36Å; T714-F716 HydrophobicContact CG2-CE2 3.86Å; T714-F716 HydrophobicContact CG2-CZ 4.34Å
715T93.1Very high95.6Very high68 Ų6842.1 Ų42.142%0.41724%0.24SC..EExtended strand (participates in β ladder)trans-123.7156.4176.357.90000111S702 D717S702-T715 WeakPolarHBondContact CB-OG1 3.4Å; S702-T715 PolarHBondContact N-O 3.23Å; S702-T715 PolarHBondContact O-N 3.1Å; T715-D717 PolarHBondContact OG1-OD2 3.12Å
716F95.5Very high95.5Very high22 Ų2238.4 Ų38.410%0.09622%0.224CC..EExtended strand (participates in β ladder)trans-121.4100.9-179.6-78.3-84.1000109.9S673 Q676 A677 A680 L699 L700 R701 T714 W770S673-F716 WeakPolarHBondContact O-CZ 3.41Å; Q676-F716 HydrophobicContact CB-CD2 3.66Å; Q676-F716 HydrophobicContact CB-CE2 3.35Å; Q676-F716 HydrophobicContact CB-CZ 4.3Å; Q676-F716 HydrophobicContact CG-CE2 4.39Å; A677-F716 HydrophobicContact CB-CD1 3.67Å; A677-F716 HydrophobicContact CB-CE1 3.62Å; A677-F716 HydrophobicContact CB-CG 4.16Å; A677-F716 HydrophobicContact CB-CZ 4.09Å; A680-F716 HydrophobicContact CB-CB 3.64Å; L699-F716 HydrophobicContact CD1-CB 4.22Å; L699-F716 HydrophobicContact CD2-CB 4.13Å; L699-F716 HydrophobicContact CD2-CD1 3.82Å; L699-F716 HydrophobicContact CD2-CG 4.37Å; L699-F716 HydrophobicContact CG-CB 4.25Å; L699-F716 HydrophobicContact CG-CD1 4.19Å; L700-F716 CarbonylContact O-C 3.43Å; L700-F716 VanDerWaalsContact O-CA 3.31Å; L700-F716 WeakPolarHBondContact O-CA 3.47Å; R701-F716 HydrophobicContact CB-CD1 4.18Å; R701-F716 HydrophobicContact CB-CE1 3.63Å; R701-F716 HydrophobicContact CB-CZ 4.07Å; R701-F716 HydrophobicContact CG-CE1 3.82Å; R701-F716 HydrophobicContact CG-CE2 4.34Å; R701-F716 HydrophobicContact CG-CZ 3.71Å; T714-F716 HydrophobicContact CG2-CE2 3.86Å; T714-F716 HydrophobicContact CG2-CZ 4.34Å; F716-W770 HydrophobicContact CD1-CB 4.48Å; F716-W770 HydrophobicContact CD1-CD2 4.46Å; F716-W770 HydrophobicContact CD1-CG 4.25Å; F716-W770 HydrophobicContact CE1-CB 4.27Å; F716-W770 AromaticContact CE1-CD2 3.61Å; F716-W770 HydrophobicContact CE1-CD2 3.61Å; F716-W770 AromaticContact CE1-CE3 3.71Å; F716-W770 HydrophobicContact CE1-CE3 3.71Å; F716-W770 AromaticContact CE1-CG 3.83Å; F716-W770 HydrophobicContact CE1-CG 3.83Å; F716-W770 HydrophobicContact CE1-CZ3 4.37Å; F716-W770 HydrophobicContact CZ-CD2 4.43Å; F716-W770 HydrophobicContact CZ-CE3 4.21Å; F716-W770 HydrophobicContact CZ-CZ3 4.46Å
717D94.5Very high95Very high73 Ų7342.2 Ų42.239%0.3924%0.242SC..EExtended strand (participates in β ladder)trans-105.9124.6-165.2-60.2-69.1000110.2L700 S702 T715L700-D717 PolarHBondContact N-O 2.88Å; L700-D717 PolarHBondContact O-N 3.01Å; S702-D717 VanDerWaalsContact CB-OD2 3.25Å; S702-D717 WeakPolarHBondContact CB-OD2 3.42Å; T715-D717 PolarHBondContact OG1-OD2 3.12Å
718V97Very high94.1Very high53 Ų5347.5 Ų47.532%0.32127%0.265SS..EExtended strand (participates in β ladder)trans-74.7132.9179.1175.50000110W681 H684 Q697 G698 L699W681-V718 HydrophobicContact CE3-CG2 4.1Å; W681-V718 HydrophobicContact CZ3-CG1 4.29Å; W681-V718 HydrophobicContact CZ3-CG2 4.02Å; H684-V718 HydrophobicContact CB-CG2 4.2Å; Q697-V718 HydrophobicContact CB-CG1 3.89Å; Q697-V718 HydrophobicContact CG-CG1 4.07Å; G698-V718 WeakPolarHBondContact O-CA 3.47Å; L699-V718 HydrophobicContact CD1-CG2 3.71Å
719F97.2Very high93.6Very high16 Ų1650.2 Ų50.27%0.0727%0.274CS..EExtended strand (participates in β ladder)trans-124.4152.4177.179.3-90.9000111.7Q697 G698 L700 L722 K771 L772 L776Q697-F719 VanDerWaalsContact CA-O 3.3Å; Q697-F719 WeakPolarHBondContact CA-O 3.32Å; G698-F719 VanDerWaalsContact C-CD1 3.45Å; G698-F719 PolarHBondContact N-O 3.19Å; G698-F719 PolarHBondContact O-N 2.87Å; G698-F719 VanDerWaalsContact O-N 3.12Å; L700-F719 HydrophobicContact CD1-CB 4.46Å; L700-F719 HydrophobicContact CD2-CD1 3.58Å; L700-F719 HydrophobicContact CD2-CE1 3.82Å; L700-F719 HydrophobicContact CD2-CG 4.27Å; L700-F719 HydrophobicContact CG-CB 4.3Å; L700-F719 HydrophobicContact CG-CD1 3.67Å; L700-F719 HydrophobicContact CG-CE1 4.38Å; L700-F719 HydrophobicContact CG-CG 4.28Å; F719-L722 HydrophobicContact CD1-CD2 4.45Å; F719-L722 HydrophobicContact CD2-CD2 3.53Å; F719-L722 HydrophobicContact CD2-CG 4.02Å; F719-L722 HydrophobicContact CE1-CD2 4.39Å; F719-L722 HydrophobicContact CE2-CD1 4.35Å; F719-L722 HydrophobicContact CE2-CD2 3.5Å; F719-L722 HydrophobicContact CE2-CG 3.67Å; F719-L722 HydrophobicContact CG-CD2 4.03Å; F719-L722 HydrophobicContact CZ-CD2 3.94Å; F719-L722 HydrophobicContact CZ-CG 4.29Å; F719-K771 WeakPolarHBondContact CE1-O 3.34Å; F719-L772 HydrophobicContact CE1-CD2 4.44Å; F719-L772 HydrophobicContact CZ-CD2 3.83Å; F719-L776 HydrophobicContact CE2-CD1 4.03Å; F719-L776 HydrophobicContact CZ-CD1 4.45Å
720M96.9Very high93.2Very high27 Ų2754 Ų5413%0.13329%0.285CS..SBendtrans-119.2-28.4175.5-167.3-171.6-69.800112.7L640 I692 F696 Q697L640-M720 HydrophobicContact CB-CE 4.27Å; L640-M720 HydrophobicContact CB-SD 3.42Å; L640-M720 WeakPolarHBondContact CB-SD 3.36Å; L640-M720 HydrophobicContact CD1-CG 4.32Å; L640-M720 HydrophobicContact CD1-SD 3.63Å; L640-M720 HydrophobicContact CG-SD 4.15Å; I692-M720 HydrophobicContact CG2-CE 3.82Å; I692-M720 HydrophobicContact CG2-SD 4.37Å; F696-M720 HydrophobicContact CB-CG 3.92Å; Q697-M720 HydrophobicContact CG-CB 4.41Å; Q697-M720 HydrophobicContact CG-CE 4.28Å; Q697-M720 HydrophobicContact CG-CG 4.47Å
721V98.2Very high93.2Very high21 Ų2148.6 Ų48.613%0.12726%0.26CS..EExtended strand (participates in β ladder)trans-135.7129.3177.4-177.30000109.2L633 L637 S723 I777 H779L633-V721 HydrophobicContact CD1-CG1 4.1Å; L637-V721 HydrophobicContact CD2-CB 4.49Å; L637-V721 HydrophobicContact CD2-CG2 3.76Å; V721-S723 PolarHBondContact O-N 2.92Å; V721-I777 WeakPolarHBondContact CA-O 3.45Å; V721-I777 HydrophobicContact CB-CB 4.48Å; V721-I777 HydrophobicContact CB-CG2 4.43Å; V721-I777 HydrophobicContact CG1-CB 4.32Å; V721-I777 HydrophobicContact CG1-CG2 3.9Å; V721-I777 HydrophobicContact CG2-CB 4.06Å; V721-I777 HydrophobicContact CG2-CD1 4.36Å; V721-I777 HydrophobicContact CG2-CG2 3.95Å; V721-H779 HydrophobicContact CG1-CB 3.82Å
722L98.1Very high93.3Very high2 Ų250.4 Ų50.41%0.0127%0.265CS..EExtended strand (participates in β ladder)trans-84.3109.7168.6-63.8-175.2000109.3L700 F719 L724 L737 F740 L769 L776 I777 I778 H779L700-L722 HydrophobicContact CD2-CD2 4.28Å; F719-L722 HydrophobicContact CD1-CD2 4.45Å; F719-L722 HydrophobicContact CD2-CD2 3.53Å; F719-L722 HydrophobicContact CD2-CG 4.02Å; F719-L722 HydrophobicContact CE1-CD2 4.39Å; F719-L722 HydrophobicContact CE2-CD1 4.35Å; F719-L722 HydrophobicContact CE2-CD2 3.5Å; F719-L722 HydrophobicContact CE2-CG 3.67Å; F719-L722 HydrophobicContact CG-CD2 4.03Å; F719-L722 HydrophobicContact CZ-CD2 3.94Å; F719-L722 HydrophobicContact CZ-CG 4.29Å; L722-L724 HydrophobicContact CB-CD2 4.07Å; L722-L724 PolarHBondContact O-N 3.33Å; L722-L737 HydrophobicContact CD1-CD2 4.31Å; L722-F740 HydrophobicContact CD2-CE1 3.89Å; L722-F740 HydrophobicContact CD2-CZ 4.13Å; L722-L769 HydrophobicContact CD1-CD1 4.47Å; L722-L769 HydrophobicContact CD1-CD2 4.08Å; L722-L769 HydrophobicContact CD2-CD2 4.13Å; L722-L776 HydrophobicContact CD1-CD1 3.92Å; L722-L776 HydrophobicContact CG-CD1 4.13Å; L722-I777 PolarHBondContact N-O 2.9Å; L722-I778 CarbonylContact O-C 3.5Å; L722-I778 WeakPolarHBondContact O-CA 3.34Å; L722-H779 PolarHBondContact O-N 3.15Å
723S97.7Very high93.5Very high31 Ų3147.3 Ų47.322%0.21725%0.246CC..EExtended strand (participates in β ladder)trans-95.988.5178.6-69.30000110.9V721 H779 K781V721-S723 PolarHBondContact O-N 2.92Å; S723-H779 CarbonylContact C-O 3.54Å; S723-H779 WeakPolarHBondContact CA-O 2.97Å; S723-H779 VanDerWaalsContact CB-ND1 3.34Å; S723-H779 WeakPolarHBondContact CB-ND1 3.49Å; S723-H779 PolarHBondContact OG-ND1 3.24Å; S723-K781 WeakPolarHBondContact O-CD 3.37Å; S723-K781 WeakPolarHBondContact O-CE 3.24Å; S723-K781 PolarHBondContact O-NZ 2.78Å
724L97.4Very high93.7Very high0 Ų047.9 Ų47.90%025%0.249CC..EExtended strand (participates in β ladder)trans-79.9138.5-170.8-52.3-177.1000112.1L722 L733 C736 L737 F740 I778 H779 K781L722-L724 HydrophobicContact CB-CD2 4.07Å; L722-L724 PolarHBondContact O-N 3.33Å; L724-L733 HydrophobicContact CD1-CD1 3.86Å; L724-C736 HydrophobicContact CB-CB 4.13Å; L724-C736 HydrophobicContact CD1-CB 3.98Å; L724-L737 HydrophobicContact CD1-CD2 3.91Å; L724-L737 HydrophobicContact CD1-CG 3.87Å; L724-L737 HydrophobicContact CD2-CD2 3.83Å; L724-F740 HydrophobicContact CD2-CB 3.59Å; L724-F740 HydrophobicContact CD2-CD1 3.83Å; L724-F740 HydrophobicContact CD2-CD2 3.98Å; L724-F740 HydrophobicContact CD2-CG 3.53Å; L724-I778 HydrophobicContact CD1-CG2 3.41Å; L724-I778 VanDerWaalsContact CD1-CG2 3.41Å; L724-I778 HydrophobicContact CG-CG2 3.69Å; L724-H779 PolarHBondContact N-O 3.23Å; L724-K781 VanDerWaalsContact O-CB 3.24Å; L724-K781 WeakPolarHBondContact O-CB 3.48Å; L724-K781 WeakPolarHBondContact O-CG 3.22Å; L724-K781 PolarHBondContact O-N 3.31Å
725P95.7Very high93.8Very high29 Ų2948.2 Ų48.219%0.18825%0.249CC..  trans-67.6154.3163.733.1-33.5000110.1C736 L739P725-C736 WeakPolarHBondContact O-CB 3.41Å; P725-L739 HydrophobicContact CB-CD2 3.95Å; P725-L739 HydrophobicContact CB-CG 4.3Å; P725-L739 HydrophobicContact CG-CB 4.09Å; P725-L739 HydrophobicContact CG-CD2 3.79Å; P725-L739 HydrophobicContact CG-CG 3.65Å
726I94.6Very high94Very high2 Ų245 Ų451%0.0123%0.23CC..  trans-117.2138.9179.2-40.3173.8000109.3L780 R782 R784 Q793 T795 V797I726-L780 HydrophobicContact CD1-CB 3.84Å; I726-L780 HydrophobicContact CG1-CB 4.3Å; I726-R782 HydrophobicContact CD1-CB 4.34Å; I726-R782 HydrophobicContact CD1-CG 3.55Å; I726-R784 PolarHBondContact O-NH2 2.94Å; I726-Q793 PolarHBondContact O-NE2 2.56Å; I726-T795 HydrophobicContact CG2-CG2 3.88Å; I726-V797 HydrophobicContact CG2-CG2 3.53Å
727E84.8Confident94.1Very high79 Ų7943.9 Ų43.937%0.36923%0.225SC..  trans-67168.3171.3-64.1-170.2-174.600112.4C731 L739 Q793 T795E727-C731 HydrophobicContact CB-CB 4.21Å; E727-C731 HydrophobicContact CG-CB 4.45Å; E727-L739 HydrophobicContact CG-CD2 4.21Å; E727-Q793 PolarHBondContact O-NE2 2.78Å; E727-Q793 VanDerWaalsContact O-NE2 3.14Å; E727-T795 PolarHBondContact O-OG1 2.9Å; E727-T795 VanDerWaalsContact O-OG1 3.11Å
728Q79.4Confident94.1Very high173 Ų17345.7 Ų45.781%0.80823%0.229SC*.SBendtrans-77.9-26.6177.2-66.7-178.9-11.100112.7
729N84.2Confident94.1Very high120 Ų12046.1 Ų46.164%0.64223%0.229SC*.SBendtrans-102.2168.1-178.9-65.2-39.1000111.4C731 T795N729-C731 PolarHBondContact O-N 2.96Å; N729-C731 PolarHBondContact O-SG 3.35Å; N729-C731 VanDerWaalsContact O-SG 3.35Å; N729-T795 WeakPolarHBondContact O-CG2 3.34Å
730K88.6Confident94Very high130 Ų13047 Ų4757%0.56523%0.233SC*.  trans-56.9124.4171.3-160.8-163.5-171.5-1510109.5N796 D798K730-N796 VanDerWaalsContact CE-OD1 3.27Å; K730-N796 WeakPolarHBondContact CE-OD1 3.42Å; K730-N796 HydrophobicContact CG-CB 4.22Å; K730-N796 WeakPolarHBondContact CG-O 3.38Å; K730-D798 WeakPolarHBondContact CE-OD1 3.13Å; K730-D798 WeakPolarHBondContact CE-OD2 3.47Å; K730-D798 IonicContact NZ-OD1 2.75Å; K730-D798 PolarHBondContact NZ-OD1 3.17Å; K730-D798 IonicContact NZ-OD2 3.23Å; K730-D798 PolarHBondContact NZ-OD2 3.27Å
731C93.6Very high94Very high4 Ų447.4 Ų47.43%0.02724%0.236CC..EExtended strand (participates in β ladder)trans-138.9163.4-172.447.30000110.6E727 N729 D735 V797 D798E727-C731 HydrophobicContact CB-CB 4.21Å; E727-C731 HydrophobicContact CG-CB 4.45Å; N729-C731 PolarHBondContact O-N 2.96Å; N729-C731 PolarHBondContact O-SG 3.35Å; N729-C731 VanDerWaalsContact O-SG 3.35Å; C731-D735 HydrophobicContact CB-CB 4.21Å; C731-V797 WeakPolarHBondContact O-CA 3.38Å; C731-D798 PolarHBondContact O-N 3.39Å
732Q95.7Very high93.9Very high82 Ų8252.3 Ų52.338%0.38326%0.257SS..EExtended strand (participates in β ladder)trans-85.1157.5170.2-53.9-61.2-60.300110.5T734 D735 C736 D798Q732-T734 WeakPolarHBondContact CB-OG1 3.46Å; Q732-T734 PolarHBondContact O-N 3.37Å; Q732-D735 VanDerWaalsContact CB-OD2 3.28Å; Q732-D735 WeakPolarHBondContact CB-OD2 3.4Å; Q732-D735 PolarHBondContact N-OD2 3.44Å; Q732-D735 WeakPolarHBondContact O-CB 3.09Å; Q732-D735 PolarHBondContact O-N 2.88Å; Q732-C736 PolarHBondContact O-N 3.14Å; Q732-D798 CarbonylContact C-O 3.57Å; Q732-D798 PolarHBondContact NE2-OD2 2.98Å; Q732-D798 VanDerWaalsContact OE1-CB 3.27Å
733L97Very high93.8Very high1 Ų157.1 Ų57.11%0.00528%0.278CS..Hα-helixtrans-55.6-32.8168.1-176.864.3000111.8L724 D735 C736 L737 I778 L780 V797 D798 F799 L804 L873 Y875L724-L733 HydrophobicContact CD1-CD1 3.86Å; L733-D735 VanDerWaalsContact C-N 3.3Å; L733-D735 PolarHBondContact O-N 2.88Å; L733-C736 PolarHBondContact O-N 2.79Å; L733-L737 WeakPolarHBondContact O-CG 3.37Å; L733-L737 PolarHBondContact O-N 3.3Å; L733-I778 HydrophobicContact CD1-CG2 4.2Å; L733-I778 HydrophobicContact CD2-CD1 4.14Å; L733-L780 HydrophobicContact CD1-CD2 3.99Å; L733-V797 HydrophobicContact CB-CG1 4.4Å; L733-D798 WeakPolarHBondContact CB-O 3.34Å; L733-D798 PolarHBondContact N-O 2.84Å; L733-F799 HydrophobicContact CB-CB 4.06Å; L733-F799 HydrophobicContact CD2-CB 3.87Å; L733-F799 HydrophobicContact CG-CB 4.47Å; L733-L804 HydrophobicContact CD2-CD1 4.3Å; L733-L804 HydrophobicContact CD2-CD2 3.88Å; L733-L873 HydrophobicContact CD1-CD1 4.05Å; L733-L873 HydrophobicContact CD2-CD1 4.01Å; L733-Y875 HydrophobicContact CD2-CE2 4.07Å
734T95.4Very high93.7Very high42 Ų4261.9 Ų61.926%0.25830%0.297SS..Hα-helixtrans-70-23175.654.30000113.3Q732 K738 F809Q732-T734 WeakPolarHBondContact CB-OG1 3.46Å; Q732-T734 PolarHBondContact O-N 3.37Å; T734-K738 WeakPolarHBondContact O-CE 3.49Å; T734-K738 VanDerWaalsContact O-CG 3.26Å; T734-K738 WeakPolarHBondContact O-CG 3.34Å; T734-K738 PolarHBondContact O-N 2.92Å; T734-K738 VanDerWaalsContact O-N 3.1Å; T734-F809 HydrophobicContact CG2-CE2 4.13Å; T734-F809 HydrophobicContact CG2-CZ 4.27Å
735D95.8Very high93.6Very high37 Ų3765.8 Ų65.820%0.19832%0.315CS..Hα-helixtrans-78.4-42.3172.4-54.2-43.9000110.4C731 Q732 L733 L737 K738 L739C731-D735 HydrophobicContact CB-CB 4.21Å; Q732-D735 VanDerWaalsContact CB-OD2 3.28Å; Q732-D735 WeakPolarHBondContact CB-OD2 3.4Å; Q732-D735 PolarHBondContact N-OD2 3.44Å; Q732-D735 WeakPolarHBondContact O-CB 3.09Å; Q732-D735 PolarHBondContact O-N 2.88Å; L733-D735 VanDerWaalsContact C-N 3.3Å; L733-D735 PolarHBondContact O-N 2.88Å; D735-L737 PolarHBondContact O-N 2.85Å; D735-K738 WeakPolarHBondContact O-CB 3.37Å; D735-K738 PolarHBondContact O-N 3.06Å; D735-K738 IonicContact OD1-NZ 3.64Å; D735-K738 PolarHBondContact OD1-NZ 2.69Å; D735-L739 PolarHBondContact O-N 3.39Å
736C96.9Very high93.4Very high0 Ų066.4 Ų66.40%032%0.316CS..Hα-helixtrans-58.5-34.7171-57.50000112L724 P725 Q732 L733 F740L724-C736 HydrophobicContact CB-CB 4.13Å; L724-C736 HydrophobicContact CD1-CB 3.98Å; P725-C736 WeakPolarHBondContact O-CB 3.41Å; Q732-C736 PolarHBondContact O-N 3.14Å; L733-C736 PolarHBondContact O-N 2.79Å; C736-F740 WeakPolarHBondContact O-CB 3.29Å; C736-F740 PolarHBondContact O-N 3.48Å; C736-F740 VanDerWaalsContact O-N 3.09Å
737L96.5Very high93.4Very high0 Ų070.1 Ų70.10%034%0.338CS..Hα-helixtrans-69.5-42.8171.7-78.1165.9000112.7L722 L724 L733 D735 L739 F740 L741 M806 F809L722-L737 HydrophobicContact CD1-CD2 4.31Å; L724-L737 HydrophobicContact CD1-CD2 3.91Å; L724-L737 HydrophobicContact CD1-CG 3.87Å; L724-L737 HydrophobicContact CD2-CD2 3.83Å; L733-L737 WeakPolarHBondContact O-CG 3.37Å; L733-L737 PolarHBondContact O-N 3.3Å; D735-L737 PolarHBondContact O-N 2.85Å; L737-L739 VanDerWaalsContact C-N 3.34Å; L737-L739 PolarHBondContact O-N 3.11Å; L737-F740 PolarHBondContact O-N 3.33Å; L737-L741 VanDerWaalsContact O-CG 3.25Å; L737-L741 WeakPolarHBondContact O-CG 3.19Å; L737-L741 PolarHBondContact O-N 3.15Å; L737-L741 VanDerWaalsContact O-N 3.12Å; L737-M806 HydrophobicContact CD1-CE 3.88Å; L737-M806 HydrophobicContact CD1-SD 3.76Å; L737-M806 HydrophobicContact CD2-CE 4.05Å; L737-F809 HydrophobicContact CB-CD1 4.42Å; L737-F809 HydrophobicContact CB-CE1 3.93Å; L737-F809 HydrophobicContact CB-CE2 4.42Å; L737-F809 HydrophobicContact CB-CZ 3.94Å; L737-F809 HydrophobicContact CD1-CD2 4.28Å; L737-F809 HydrophobicContact CD1-CE2 3.97Å; L737-F809 HydrophobicContact CD1-CZ 4.29Å
738K96.1Very high93.7Very high111 Ų11168.7 Ų68.748%0.48335%0.345SS..Hα-helixtrans-58.5-47.4174.3-69160.7-151.8163.20111T734 D735 F740 L741 E742 F809T734-K738 WeakPolarHBondContact O-CE 3.49Å; T734-K738 VanDerWaalsContact O-CG 3.26Å; T734-K738 WeakPolarHBondContact O-CG 3.34Å; T734-K738 PolarHBondContact O-N 2.92Å; T734-K738 VanDerWaalsContact O-N 3.1Å; D735-K738 WeakPolarHBondContact O-CB 3.37Å; D735-K738 PolarHBondContact O-N 3.06Å; D735-K738 IonicContact OD1-NZ 3.64Å; D735-K738 PolarHBondContact OD1-NZ 2.69Å; K738-F740 VanDerWaalsContact C-N 3.3Å; K738-F740 PolarHBondContact O-N 2.95Å; K738-L741 CarbonylContact O-C 3.6Å; K738-L741 PolarHBondContact O-N 2.86Å; K738-L741 VanDerWaalsContact O-N 3.09Å; K738-E742 PolarHBondContact O-N 2.89Å; K738-F809 HydrophobicContact CG-CE1 4.15Å
739L95.2Very high94.1Very high62 Ų6269.1 Ų69.133%0.32535%0.347SS..Hα-helixtrans-65.3-30.5179.6-174.162.8000112.8P725 E727 D735 L737 E742P725-L739 HydrophobicContact CB-CD2 3.95Å; P725-L739 HydrophobicContact CB-CG 4.3Å; P725-L739 HydrophobicContact CG-CB 4.09Å; P725-L739 HydrophobicContact CG-CD2 3.79Å; P725-L739 HydrophobicContact CG-CG 3.65Å; E727-L739 HydrophobicContact CG-CD2 4.21Å; D735-L739 PolarHBondContact O-N 3.39Å; L737-L739 VanDerWaalsContact C-N 3.34Å; L737-L739 PolarHBondContact O-N 3.11Å; L739-E742 WeakPolarHBondContact CD1-OE2 3.24Å
740F96.2Very high94.3Very high35 Ų3567.7 Ų67.715%0.15435%0.346CS..Hα-helixtrans-71.6-28.5172.3-179.8-106.7000113.5L722 L724 C736 L737 K738 I767L722-F740 HydrophobicContact CD2-CE1 3.89Å; L722-F740 HydrophobicContact CD2-CZ 4.13Å; L724-F740 HydrophobicContact CD2-CB 3.59Å; L724-F740 HydrophobicContact CD2-CD1 3.83Å; L724-F740 HydrophobicContact CD2-CD2 3.98Å; L724-F740 HydrophobicContact CD2-CG 3.53Å; C736-F740 WeakPolarHBondContact O-CB 3.29Å; C736-F740 PolarHBondContact O-N 3.48Å; C736-F740 VanDerWaalsContact O-N 3.09Å; L737-F740 PolarHBondContact O-N 3.33Å; K738-F740 VanDerWaalsContact C-N 3.3Å; K738-F740 PolarHBondContact O-N 2.95Å; F740-I767 HydrophobicContact CD1-CD1 4.06Å; F740-I767 HydrophobicContact CD2-CD1 4.29Å; F740-I767 HydrophobicContact CE1-CD1 3.54Å; F740-I767 HydrophobicContact CE1-CG1 4.45Å; F740-I767 HydrophobicContact CE2-CD1 3.81Å; F740-I767 HydrophobicContact CG-CD1 4.41Å; F740-I767 HydrophobicContact CZ-CD1 3.4Å; F740-I767 VanDerWaalsContact CZ-CD1 3.4Å; F740-I767 WeakPolarHBondContact O-CD1 3.39Å; F740-I767 WeakPolarHBondContact O-CG1 3.34Å
741L96.7Very high94.5Very high34 Ų3466.6 Ų66.618%0.17834%0.338CS..SBendtrans-102.46.8-177.9-56171.5000112.2L737 K738 I767 L769 F809L737-L741 VanDerWaalsContact O-CG 3.25Å; L737-L741 WeakPolarHBondContact O-CG 3.19Å; L737-L741 PolarHBondContact O-N 3.15Å; L737-L741 VanDerWaalsContact O-N 3.12Å; K738-L741 CarbonylContact O-C 3.6Å; K738-L741 PolarHBondContact O-N 2.86Å; K738-L741 VanDerWaalsContact O-N 3.09Å; L741-I767 HydrophobicContact CD2-CG1 4.31Å; L741-I767 WeakPolarHBondContact CD2-O 3.47Å; L741-L769 HydrophobicContact CD1-CD1 4.29Å; L741-L769 HydrophobicContact CD1-CG 4.19Å; L741-L769 HydrophobicContact CD2-CD2 4.07Å; L741-L769 HydrophobicContact CD2-CG 3.99Å; L741-F809 HydrophobicContact CD1-CB 4.2Å; L741-F809 HydrophobicContact CD1-CD1 3.7Å; L741-F809 HydrophobicContact CD1-CG 4.33Å
742E95.7Very high94.5Very high124 Ų12468.4 Ų68.458%0.57934%0.344SS*.SBendtrans-70.2157179.8-172.8163.6-160.900111.6K738 L739 E744K738-E742 PolarHBondContact O-N 2.89Å; L739-E742 WeakPolarHBondContact CD1-OE2 3.24Å; E742-E744 PolarHBondContact O-N 2.85Å
743K96.2Very high94.4Very high104 Ų10466.6 Ų66.645%0.45234%0.336SS..  trans-89.798.2-175.7-160.1-153.772.3156.80111.5E745 S764 K765 W766K743-E745 WeakPolarHBondContact CE-OE1 3.36Å; K743-E745 IonicContact NZ-OE1 2.62Å; K743-E745 PolarHBondContact NZ-OE1 3.22Å; K743-S764 WeakPolarHBondContact CE-OG 3.25Å; K743-S764 PolarHBondContact NZ-OG 2.69Å; K743-K765 CarbonylContact C-O 3.58Å; K743-K765 WeakPolarHBondContact CA-O 3.34Å; K743-W766 HydrophobicContact CB-CB 4.23Å; K743-W766 HydrophobicContact CD-CE3 4.19Å; K743-W766 HydrophobicContact CG-CB 4Å; K743-W766 HydrophobicContact CG-CD2 4.22Å; K743-W766 HydrophobicContact CG-CE3 3.74Å; K743-W766 HydrophobicContact CG-CG 4.36Å
744E94.8Very high94.2Very high131 Ų13166.6 Ų66.661%0.61234%0.336SS*.EExtended strand (participates in β ladder)trans-69.7151.5174.7-58.1-178.7147.700112.2E742 S764 K765E742-E744 PolarHBondContact O-N 2.85Å; E744-S764 CarbonylContact O-C 3.58Å; E744-S764 WeakPolarHBondContact O-CA 3.37Å; E744-K765 PolarHBondContact N-O 3.28Å; E744-K765 PolarHBondContact O-N 2.84Å
745E96.4Very high94Very high82 Ų8267.3 Ų67.338%0.38334%0.341SS..EExtended strand (participates in β ladder)trans-111.1113.7173.3-70-66.2161.700111.1N707 K743 V747 S764N707-E745 PolarHBondContact ND2-OE2 3.12Å; K743-E745 WeakPolarHBondContact CE-OE1 3.36Å; K743-E745 IonicContact NZ-OE1 2.62Å; K743-E745 PolarHBondContact NZ-OE1 3.22Å; E745-V747 HydrophobicContact CB-CG1 4.2Å; E745-V747 PolarHBondContact O-N 2.96Å; E745-S764 PolarHBondContact OE1-OG 3.08Å; E745-S764 PolarHBondContact OE2-N 2.97Å; E745-S764 PolarHBondContact OE2-OG 3.28Å
746M92.3Very high93.8Very high41 Ų4169.6 Ų69.620%0.20236%0.36CS..EExtended strand (participates in β ladder)trans-78.179.9178.9-62.1-178.764.700110.9V704 C750 R751 W752 D762 A763 K765V704-M746 HydrophobicContact CG1-SD 3.92Å; M746-C750 VanDerWaalsContact CE-O 3.23Å; M746-C750 WeakPolarHBondContact CE-O 3.44Å; M746-R751 WeakPolarHBondContact O-CA 3.4Å; M746-W752 HydrophobicContact CE-CB 3.8Å; M746-W752 HydrophobicContact CE-CG 4.48Å; M746-W752 HydrophobicContact SD-CB 4.08Å; M746-D762 WeakPolarHBondContact O-CA 3.19Å; M746-A763 WeakPolarHBondContact CA-O 3.49Å; M746-A763 HydrophobicContact CB-CB 4.46Å; M746-A763 VanDerWaalsContact CB-O 3.27Å; M746-A763 WeakPolarHBondContact CB-O 3.2Å; M746-A763 PolarHBondContact N-O 3.11Å; M746-A763 PolarHBondContact O-N 3.48Å; M746-K765 HydrophobicContact CG-CB 4.06Å; M746-K765 HydrophobicContact SD-CB 3.81Å; M746-K765 HydrophobicContact SD-CD 4.2Å
747V93.3Very high93.6Very high80 Ų8070.3 Ų70.349%0.48537%0.365SS..  trans-107.9170.3-177.9-62.60000113.3E745 Q749 C750 D762E745-V747 HydrophobicContact CB-CG1 4.2Å; E745-V747 PolarHBondContact O-N 2.96Å; V747-Q749 PolarHBondContact O-N 3.28Å; V747-C750 PolarHBondContact O-N 3.46Å; V747-C750 VanDerWaalsContact O-N 3.08Å; V747-D762 WeakPolarHBondContact CA-OD1 3.28Å; V747-D762 HydrophobicContact CG1-CB 4.28Å
748G90.9Very high93.4Very high50 Ų5072.2 Ų72.252%0.51538%0.375SS..G310 helixtrans64-119.5171.900000113.3R751G748-R751 WeakPolarHBondContact O-CD 3.46Å; G748-R751 WeakPolarHBondContact O-CG 2.84Å
749Q87.9Confident93.4Very high181 Ų18168.3 Ų68.385%0.84636%0.361SS*.G310 helixtrans-72.5-29.4177.2-64.5-175.8100112.4V747 R751 R760V747-Q749 PolarHBondContact O-N 3.28Å; Q749-R751 VanDerWaalsContact C-N 3.27Å; Q749-R751 PolarHBondContact O-N 3.09Å; Q749-R760 PolarHBondContact O-NH1 3.47Å
750C89.6Confident93.4Very high91 Ų9172.4 Ų72.462%0.61537%0.372SS*.G310 helixtrans-82.15-174.4-59.20000114.3M746 V747 W752M746-C750 VanDerWaalsContact CE-O 3.23Å; M746-C750 WeakPolarHBondContact CE-O 3.44Å; V747-C750 PolarHBondContact O-N 3.46Å; V747-C750 VanDerWaalsContact O-N 3.08Å; C750-W752 PolarHBondContact O-N 3.39Å
751R91.4Very high93.4Very high106 Ų10674.8 Ų74.840%0.438%0.38SS..  trans-50.8128.2-177.3-79.4174.2164.7164.2-6.7113.7M746 G748 Q749 R760 R761 D762M746-R751 WeakPolarHBondContact O-CA 3.4Å; G748-R751 WeakPolarHBondContact O-CD 3.46Å; G748-R751 WeakPolarHBondContact O-CG 2.84Å; Q749-R751 VanDerWaalsContact C-N 3.27Å; Q749-R751 PolarHBondContact O-N 3.09Å; R751-R760 HydrophobicContact CB-CB 4.03Å; R751-R761 CarbonylContact C-O 3.52Å; R751-R761 WeakPolarHBondContact CA-O 3.42Å; R751-R761 WeakPolarHBondContact CB-O 3.44Å; R751-D762 WeakPolarHBondContact CG-OD1 3.46Å; R751-D762 IonicContact CZ-OD1 3.85Å; R751-D762 IonicContact CZ-OD2 2.99Å; R751-D762 VanDerWaalsContact NE-CG 3.28Å; R751-D762 IonicContact NE-OD1 2.74Å; R751-D762 PolarHBondContact NE-OD1 3.2Å; R751-D762 IonicContact NE-OD2 3.09Å; R751-D762 PolarHBondContact NE-OD2 2.95Å; R751-D762 IonicContact NH2-OD1 2.66Å; R751-D762 PolarHBondContact NH2-OD1 3.21Å; R751-D762 IonicContact NH2-OD2 3.31Å; R751-D762 PolarHBondContact NH2-OD2 2.96Å
752W93.7Very high93.5Very high42 Ų4275.1 Ų75.116%0.15938%0.382CS..EExtended strand (participates in β ladder)trans-69.2139-179.3179.752.4000112.6V704 C706 V711 M746 C750 C754 P755 R760 R761 A763V704-W752 HydrophobicContact CB-CD2 4.25Å; V704-W752 HydrophobicContact CB-CE3 4.48Å; V704-W752 HydrophobicContact CB-CZ2 4.4Å; V704-W752 HydrophobicContact CG1-CB 4.11Å; V704-W752 HydrophobicContact CG1-CD2 3.44Å; V704-W752 VanDerWaalsContact CG1-CD2 3.44Å; V704-W752 HydrophobicContact CG1-CE3 3.64Å; V704-W752 HydrophobicContact CG1-CG 3.64Å; V704-W752 HydrophobicContact CG1-CZ2 4.45Å; V704-W752 HydrophobicContact CG1-CZ3 4.21Å; C706-W752 HydrophobicContact CB-CE3 4.28Å; C706-W752 HydrophobicContact CB-CZ3 3.94Å; V711-W752 HydrophobicContact CG1-CH2 4.14Å; V711-W752 HydrophobicContact CG1-CZ3 4.11Å; M746-W752 HydrophobicContact CE-CB 3.8Å; M746-W752 HydrophobicContact CE-CG 4.48Å; M746-W752 HydrophobicContact SD-CB 4.08Å; C750-W752 PolarHBondContact O-N 3.39Å; W752-C754 HydrophobicContact CD2-CB 4.29Å; W752-C754 HydrophobicContact CE3-CB 3.6Å; W752-C754 HydrophobicContact CH2-CB 4.37Å; W752-C754 HydrophobicContact CZ3-CB 3.67Å; W752-C754 PolarHBondContact O-N 2.76Å; W752-C754 VanDerWaalsContact O-N 3.12Å; W752-P755 HydrophobicContact CH2-CG 4.45Å; W752-P755 HydrophobicContact CZ2-CG 4.46Å; W752-R760 CarbonylContact O-C 3.45Å; W752-R760 VanDerWaalsContact O-CA 3.29Å; W752-R760 WeakPolarHBondContact O-CA 3.25Å; W752-R761 PolarHBondContact N-O 2.74Å; W752-R761 PolarHBondContact O-N 2.66Å; W752-A763 HydrophobicContact CB-CB 3.73Å; W752-A763 HydrophobicContact CD2-CB 4.5Å; W752-A763 HydrophobicContact CE3-CB 3.97Å; W752-A763 HydrophobicContact CG-CB 4.45Å
753H94.2Very high93.5Very high45 Ų4569.2 Ų69.221%0.20835%0.354CS..EExtended strand (participates in β ladder)trans-76.995168.4-139.6-82.9000109.8A99 E102 P755 T759A99-H753 WeakPolarHBondContact CA-NE2 3.05Å; A99-H753 VanDerWaalsContact CB-NE2 3.32Å; A99-H753 WeakPolarHBondContact CB-NE2 3.49Å; E102-H753 VanDerWaalsContact CD-CE1 3.49Å; E102-H753 IonicContact OE1-CE1 2.67Å; E102-H753 IonicContact OE1-ND1 3.97Å; E102-H753 IonicContact OE2-CE1 3.87Å; E102-H753 PolarHBondContact OE2-CE1 2.72Å; E102-H753 IonicContact OE2-ND1 3.73Å; E102-H753 PolarHBondContact OE2-ND1 2.68Å; H753-P755 WeakPolarHBondContact O-CD 3.37Å; H753-T759 VanDerWaalsContact CE1-CA 3.48Å; H753-T759 WeakPolarHBondContact CE1-CA 3.43Å
754C93.5Very high93.6Very high0 Ų064.6 Ų64.60%034%0.335CS..EExtended strand (participates in β ladder)trans-81.1120.3-177.5173.80000110.3C706 V711 W752 C757 N758 T759 R761C706-C754 HydrophobicContact CB-CB 4.02Å; C706-C754 WeakPolarHBondContact CB-SG 3.46Å; C706-C754 VanDerWaalsContact SG-SG 3.67Å; V711-C754 WeakPolarHBondContact CG1-SG 3.08Å; W752-C754 HydrophobicContact CD2-CB 4.29Å; W752-C754 HydrophobicContact CE3-CB 3.6Å; W752-C754 HydrophobicContact CH2-CB 4.37Å; W752-C754 HydrophobicContact CZ3-CB 3.67Å; W752-C754 PolarHBondContact O-N 2.76Å; W752-C754 VanDerWaalsContact O-N 3.12Å; C754-C757 HydrophobicContact CB-CB 3.78Å; C754-C757 CarbonylContact O-C 3.52Å; C754-C757 WeakPolarHBondContact O-CB 3.49Å; C754-C757 PolarHBondContact O-N 3Å; C754-N758 WeakPolarHBondContact O-CA 3.35Å; C754-N758 PolarHBondContact O-N 2.86Å; C754-T759 PolarHBondContact N-O 3.03Å; C754-T759 VanDerWaalsContact N-O 3.1Å; C754-T759 PolarHBondContact O-N 3.4Å; C754-R761 HydrophobicContact CB-CB 4.36Å; C754-R761 HydrophobicContact CB-CG 4.24Å
755P89.7Confident93.7Very high58 Ų5861.6 Ų61.638%0.37732%0.32SS..THydrogen-bonded Turntrans-73.8-42.6-172.728.3-33.9000113.1W752 H753 C757 N758W752-P755 HydrophobicContact CH2-CG 4.45Å; W752-P755 HydrophobicContact CZ2-CG 4.46Å; H753-P755 WeakPolarHBondContact O-CD 3.37Å; P755-C757 PolarHBondContact O-N 3.37Å; P755-N758 PolarHBondContact O-N 2.67Å; P755-N758 VanDerWaalsContact O-N 3.07Å; P755-N758 PolarHBondContact O-OD1 2.9Å
756S91.9Very high93.7Very high84 Ų8460.5 Ų60.559%0.58731%0.312SS*.THydrogen-bonded Turntrans-62-29.3173.21650000112.1
757C92.4Very high94Very high16 Ų1660 Ų6011%0.10831%0.31CS..THydrogen-bonded Turntrans-76.1-44171.4-117.40000111.3R106 C754 P755 R761R106-C757 PolarHBondContact NE-O 3.02Å; R106-C757 PolarHBondContact NH1-O 2.96Å; R106-C757 PolarHBondContact NH2-O 2.79Å; C754-C757 HydrophobicContact CB-CB 3.78Å; C754-C757 CarbonylContact O-C 3.52Å; C754-C757 WeakPolarHBondContact O-CB 3.49Å; C754-C757 PolarHBondContact O-N 3Å; P755-C757 PolarHBondContact O-N 3.37Å; C757-R761 HydrophobicContact CB-CG 4.06Å; C757-R761 PolarHBondContact SG-NE 3.21Å
758N93.6Very high94.2Very high40 Ų4057.9 Ų57.921%0.21430%0.295CS..THydrogen-bonded Turntrans71.642.6-166.1-101.814.9000115.1E102 D103 S105 R106 C754 P755E102-N758 CarbonylContact C-O 3.59Å; E102-N758 WeakPolarHBondContact CA-ND2 3.3Å; E102-N758 HydrophobicContact CB-CB 3.68Å; E102-N758 VanDerWaalsContact CB-CG 3.46Å; E102-N758 WeakPolarHBondContact CB-O 3.47Å; E102-N758 HydrophobicContact CG-CB 4.27Å; E102-N758 VanDerWaalsContact CG-OD1 3.27Å; E102-N758 WeakPolarHBondContact CG-OD1 3.5Å; E102-N758 WeakPolarHBondContact O-CB 3.39Å; E102-N758 PolarHBondContact O-ND2 2.73Å; E102-N758 WeakPolarHBondContact OE2-CA 3.45Å; E102-N758 PolarHBondContact OE2-OD1 2.73Å; D103-N758 PolarHBondContact N-O 2.67Å; S105-N758 PolarHBondContact OG-ND2 3.22Å; R106-N758 HydrophobicContact CG-CB 3.94Å; R106-N758 PolarHBondContact NE-O 3.31Å; R106-N758 PolarHBondContact NH2-O 3.28Å; C754-N758 WeakPolarHBondContact O-CA 3.35Å; C754-N758 PolarHBondContact O-N 2.86Å; P755-N758 PolarHBondContact O-N 2.67Å; P755-N758 VanDerWaalsContact O-N 3.07Å; P755-N758 PolarHBondContact O-OD1 2.9Å
759T95.2Very high94.4Very high29 Ų2955.5 Ų55.518%0.17827%0.271CS..EExtended strand (participates in β ladder)trans-172174.8167.4-147.40000111.6D103 H753 C754 R761D103-T759 VanDerWaalsContact OD1-CB 3.23Å; D103-T759 WeakPolarHBondContact OD1-CB 3.22Å; D103-T759 PolarHBondContact OD1-OG1 3.19Å; H753-T759 VanDerWaalsContact CE1-CA 3.48Å; H753-T759 WeakPolarHBondContact CE1-CA 3.43Å; C754-T759 PolarHBondContact N-O 3.03Å; C754-T759 VanDerWaalsContact N-O 3.1Å; C754-T759 PolarHBondContact O-N 3.4Å; T759-R761 PolarHBondContact O-N 3.45Å
760R96.3Very high94.8Very high147 Ų14748 Ų4856%0.55523%0.234SC*.EExtended strand (participates in β ladder)trans-62.1123.1169.4-67.7-164.2-174.3-150.72112.6Q749 R751 W752Q749-R760 PolarHBondContact O-NH1 3.47Å; R751-R760 HydrophobicContact CB-CB 4.03Å; W752-R760 CarbonylContact O-C 3.45Å; W752-R760 VanDerWaalsContact O-CA 3.29Å; W752-R760 WeakPolarHBondContact O-CA 3.25Å
761R96.1Very high95Very high85 Ų8546.9 Ų46.932%0.32122%0.219SC..EExtended strand (participates in β ladder)trans-128.8155.6177.1-67.3-61.8-165.7177.2-6110.8S708 R751 W752 C754 C757 T759S708-R761 WeakPolarHBondContact OG-CD 3.41Å; R751-R761 CarbonylContact C-O 3.52Å; R751-R761 WeakPolarHBondContact CA-O 3.42Å; R751-R761 WeakPolarHBondContact CB-O 3.44Å; W752-R761 PolarHBondContact N-O 2.74Å; W752-R761 PolarHBondContact O-N 2.66Å; C754-R761 HydrophobicContact CB-CB 4.36Å; C754-R761 HydrophobicContact CB-CG 4.24Å; C757-R761 HydrophobicContact CB-CG 4.06Å; C757-R761 PolarHBondContact SG-NE 3.21Å; T759-R761 PolarHBondContact O-N 3.45Å
762D97.5Very high95.2Very high42 Ų4242.8 Ų42.823%0.22521%0.205CC..  trans-63.3138160.8-56-63.7000108.8N707 M746 V747 R751N707-D762 VanDerWaalsContact CB-O 3.3Å; N707-D762 WeakPolarHBondContact CB-O 3.39Å; N707-D762 PolarHBondContact N-O 2.96Å; M746-D762 WeakPolarHBondContact O-CA 3.19Å; V747-D762 WeakPolarHBondContact CA-OD1 3.28Å; V747-D762 HydrophobicContact CG1-CB 4.28Å; R751-D762 WeakPolarHBondContact CG-OD1 3.46Å; R751-D762 IonicContact CZ-OD1 3.85Å; R751-D762 IonicContact CZ-OD2 2.99Å; R751-D762 VanDerWaalsContact NE-CG 3.28Å; R751-D762 IonicContact NE-OD1 2.74Å; R751-D762 PolarHBondContact NE-OD1 3.2Å; R751-D762 IonicContact NE-OD2 3.09Å; R751-D762 PolarHBondContact NE-OD2 2.95Å; R751-D762 IonicContact NH2-OD1 2.66Å; R751-D762 PolarHBondContact NH2-OD1 3.21Å; R751-D762 IonicContact NH2-OD2 3.31Å; R751-D762 PolarHBondContact NH2-OD2 2.96Å
763A97.4Very high95.3Very high0 Ų040.9 Ų40.90%020%0.198CC..EExtended strand (participates in β ladder)trans-153.5142.3-172.400000111.3V704 K705 M746 W752V704-A763 HydrophobicContact CG1-CB 3.99Å; K705-A763 CarbonylContact O-C 3.56Å; K705-A763 WeakPolarHBondContact O-CA 3.21Å; K705-A763 VanDerWaalsContact O-CB 3.24Å; K705-A763 WeakPolarHBondContact O-CB 3.27Å; M746-A763 WeakPolarHBondContact CA-O 3.49Å; M746-A763 HydrophobicContact CB-CB 4.46Å; M746-A763 VanDerWaalsContact CB-O 3.27Å; M746-A763 WeakPolarHBondContact CB-O 3.2Å; M746-A763 PolarHBondContact N-O 3.11Å; M746-A763 PolarHBondContact O-N 3.48Å; W752-A763 HydrophobicContact CB-CB 3.73Å; W752-A763 HydrophobicContact CD2-CB 4.5Å; W752-A763 HydrophobicContact CE3-CB 3.97Å; W752-A763 HydrophobicContact CG-CB 4.45Å
764S97.6Very high95.3Very high6 Ų641.5 Ų41.54%0.04221%0.205CC..EExtended strand (participates in β ladder)trans-80.8136.7168.5-47.70000110.7V704 K705 N707 K743 E744 E745V704-S764 CarbonylContact C-O 3.35Å; V704-S764 WeakPolarHBondContact CA-O 3.42Å; K705-S764 PolarHBondContact N-O 3.33Å; K705-S764 PolarHBondContact O-N 2.96Å; N707-S764 PolarHBondContact OD1-N 3.35Å; N707-S764 VanDerWaalsContact OD1-N 3.16Å; N707-S764 PolarHBondContact OD1-OG 3.09Å; K743-S764 WeakPolarHBondContact CE-OG 3.25Å; K743-S764 PolarHBondContact NZ-OG 2.69Å; E744-S764 CarbonylContact O-C 3.58Å; E744-S764 WeakPolarHBondContact O-CA 3.37Å; E745-S764 PolarHBondContact OE1-OG 3.08Å; E745-S764 PolarHBondContact OE2-N 2.97Å; E745-S764 PolarHBondContact OE2-OG 3.28Å
765K96.7Very high95.5Very high69 Ų6942.1 Ų42.130%0.321%0.208SC..EExtended strand (participates in β ladder)trans-120.6143169.1177178.8178.3-162.30110T703 V704 K743 E744 M746T703-K765 WeakPolarHBondContact O-CA 3.32Å; V704-K765 HydrophobicContact CG2-CB 4.25Å; V704-K765 HydrophobicContact CG2-CD 4.29Å; V704-K765 HydrophobicContact CG2-CG 4.02Å; K743-K765 CarbonylContact C-O 3.58Å; K743-K765 WeakPolarHBondContact CA-O 3.34Å; E744-K765 PolarHBondContact N-O 3.28Å; E744-K765 PolarHBondContact O-N 2.84Å; M746-K765 HydrophobicContact CG-CB 4.06Å; M746-K765 HydrophobicContact SD-CB 3.81Å; M746-K765 HydrophobicContact SD-CD 4.2Å
766W97.5Very high95.9Very high58 Ų5839.4 Ų39.422%0.2219%0.19CC..EExtended strand (participates in β ladder)trans-149164.9167.564.1100.3000110.6T703 K705 K743 E768T703-W766 HydrophobicContact CG2-CH2 3.58Å; T703-W766 HydrophobicContact CG2-CZ2 3.43Å; T703-W766 VanDerWaalsContact CG2-CZ2 3.43Å; T703-W766 HydrophobicContact CG2-CZ3 4.25Å; T703-W766 PolarHBondContact N-O 2.88Å; T703-W766 PolarHBondContact O-N 3.43Å; K705-W766 HydrophobicContact CB-CH2 4.04Å; K705-W766 HydrophobicContact CB-CZ3 3.81Å; K743-W766 HydrophobicContact CB-CB 4.23Å; K743-W766 HydrophobicContact CD-CE3 4.19Å; K743-W766 HydrophobicContact CG-CB 4Å; K743-W766 HydrophobicContact CG-CD2 4.22Å; K743-W766 HydrophobicContact CG-CE3 3.74Å; K743-W766 HydrophobicContact CG-CG 4.36Å; W766-E768 PolarHBondContact NE1-OE2 2.82Å; W766-E768 VanDerWaalsContact NE1-OE2 3.09Å
767I97.1Very high96.3Very high31 Ų3135.4 Ų35.416%0.15916%0.162CC..EExtended strand (participates in β ladder)trans-128.2145176.155.9173.8000110R701 F740 L741R701-I767 CarbonylContact O-C 3.48Å; R701-I767 WeakPolarHBondContact O-CA 3.33Å; F740-I767 HydrophobicContact CD1-CD1 4.06Å; F740-I767 HydrophobicContact CD2-CD1 4.29Å; F740-I767 HydrophobicContact CE1-CD1 3.54Å; F740-I767 HydrophobicContact CE1-CG1 4.45Å; F740-I767 HydrophobicContact CE2-CD1 3.81Å; F740-I767 HydrophobicContact CG-CD1 4.41Å; F740-I767 HydrophobicContact CZ-CD1 3.4Å; F740-I767 VanDerWaalsContact CZ-CD1 3.4Å; F740-I767 WeakPolarHBondContact O-CD1 3.39Å; F740-I767 WeakPolarHBondContact O-CG1 3.34Å; L741-I767 HydrophobicContact CD2-CG1 4.31Å; L741-I767 WeakPolarHBondContact CD2-O 3.47Å
768E97.2Very high96.6Very high36 Ų3634.7 Ų34.717%0.16816%0.157CC..EExtended strand (participates in β ladder)trans-133.7144.8-175.6-59.8165.791.200110.1L700 R701 W766 W770 V811L700-E768 CarbonylContact C-O 3.57Å; L700-E768 WeakPolarHBondContact CA-O 3.15Å; R701-E768 HydrophobicContact CB-CB 4.38Å; R701-E768 IonicContact CZ-OE1 2.74Å; R701-E768 IonicContact CZ-OE2 2.76Å; R701-E768 VanDerWaalsContact CZ-OE2 3.25Å; R701-E768 PolarHBondContact N-O 2.89Å; R701-E768 IonicContact NE-OE1 2.87Å; R701-E768 IonicContact NE-OE2 3.42Å; R701-E768 PolarHBondContact NE-OE2 2.8Å; R701-E768 IonicContact NH2-OE1 3.25Å; R701-E768 PolarHBondContact NH2-OE1 3.28Å; R701-E768 IonicContact NH2-OE2 3.39Å; R701-E768 PolarHBondContact NH2-OE2 2.9Å; R701-E768 PolarHBondContact O-N 2.89Å; W766-E768 PolarHBondContact NE1-OE2 2.82Å; W766-E768 VanDerWaalsContact NE1-OE2 3.09Å; E768-W770 PolarHBondContact O-N 2.68Å; E768-V811 HydrophobicContact CB-CG1 4.19Å; E768-V811 HydrophobicContact CB-CG2 3.69Å
769L96.8Very high96.8Very high0 Ų033.4 Ų33.40%015%0.15CC..EExtended strand (participates in β ladder)trans-78.6107.2178.8-54.1179.3000109.2L700 L722 L741 L772 M806 F809 I810 V811L700-L769 HydrophobicContact CD2-CD2 3.61Å; L722-L769 HydrophobicContact CD1-CD1 4.47Å; L722-L769 HydrophobicContact CD1-CD2 4.08Å; L722-L769 HydrophobicContact CD2-CD2 4.13Å; L741-L769 HydrophobicContact CD1-CD1 4.29Å; L741-L769 HydrophobicContact CD1-CG 4.19Å; L741-L769 HydrophobicContact CD2-CD2 4.07Å; L741-L769 HydrophobicContact CD2-CG 3.99Å; L769-L772 HydrophobicContact CB-CD2 4.08Å; L769-L772 HydrophobicContact CD1-CD2 4.09Å; L769-L772 HydrophobicContact CD2-CD2 4.43Å; L769-L772 HydrophobicContact CG-CD2 4.42Å; L769-M806 HydrophobicContact CD1-CE 3.51Å; L769-F809 HydrophobicContact CD1-CB 3.82Å; L769-I810 WeakPolarHBondContact O-CA 3.48Å; L769-V811 PolarHBondContact O-N 3.02Å
770W95.7Very high96.9Very high22 Ų2232 Ų328%0.08314%0.141CC..EExtended strand (participates in β ladder)trans-86.1-48.7-179.7-174.2-89.4000112N674 A677 L699 R701 F716 E768 V811 G812N674-W770 WeakPolarHBondContact OD1-CH2 3.5Å; N674-W770 VanDerWaalsContact OD1-CZ2 3.25Å; N674-W770 WeakPolarHBondContact OD1-CZ2 3.35Å; A677-W770 HydrophobicContact CB-CD2 4.18Å; A677-W770 HydrophobicContact CB-CG 4.31Å; A677-W770 HydrophobicContact CB-CZ2 3.97Å; L699-W770 HydrophobicContact CB-CB 4.45Å; L699-W770 HydrophobicContact CD2-CG 4.43Å; L699-W770 WeakPolarHBondContact O-CA 3.4Å; L699-W770 WeakPolarHBondContact O-CB 3.43Å; L699-W770 PolarHBondContact O-N 2.98Å; R701-W770 HydrophobicContact CB-CE3 4.38Å; F716-W770 HydrophobicContact CD1-CB 4.48Å; F716-W770 HydrophobicContact CD1-CD2 4.46Å; F716-W770 HydrophobicContact CD1-CG 4.25Å; F716-W770 HydrophobicContact CE1-CB 4.27Å; F716-W770 AromaticContact CE1-CD2 3.61Å; F716-W770 HydrophobicContact CE1-CD2 3.61Å; F716-W770 AromaticContact CE1-CE3 3.71Å; F716-W770 HydrophobicContact CE1-CE3 3.71Å; F716-W770 AromaticContact CE1-CG 3.83Å; F716-W770 HydrophobicContact CE1-CG 3.83Å; F716-W770 HydrophobicContact CE1-CZ3 4.37Å; F716-W770 HydrophobicContact CZ-CD2 4.43Å; F716-W770 HydrophobicContact CZ-CE3 4.21Å; F716-W770 HydrophobicContact CZ-CZ3 4.46Å; E768-W770 PolarHBondContact O-N 2.68Å; W770-V811 HydrophobicContact CE3-CG2 3.85Å; W770-V811 HydrophobicContact CZ3-CG2 4.36Å; W770-G812 WeakPolarHBondContact O-CA 3.28Å
771K93.7Very high96.9Very high68 Ų6829.1 Ų29.130%0.29613%0.133SC..EExtended strand (participates in β ladder)trans-139.2134.9178.9178.1-155.8168.2-140.10108.7Q697 G698 L699 F719Q697-K771 PolarHBondContact O-NZ 2.66Å; G698-K771 CarbonylContact C-O 3.58Å; G698-K771 VanDerWaalsContact CA-O 3.23Å; G698-K771 WeakPolarHBondContact CA-O 3.5Å; L699-K771 HydrophobicContact CB-CB 3.92Å; L699-K771 PolarHBondContact N-O 2.87Å; L699-K771 PolarHBondContact O-N 3.38Å; F719-K771 WeakPolarHBondContact CE1-O 3.34Å
772L95.3Very high96.8Very high20 Ų2025.1 Ų25.111%0.10512%0.118CC..  trans-99.9153.7172.3-58.4-173.9000112F719 L769 M806 I810 Y820F719-L772 HydrophobicContact CE1-CD2 4.44Å; F719-L772 HydrophobicContact CZ-CD2 3.83Å; L769-L772 HydrophobicContact CB-CD2 4.08Å; L769-L772 HydrophobicContact CD1-CD2 4.09Å; L769-L772 HydrophobicContact CD2-CD2 4.43Å; L769-L772 HydrophobicContact CG-CD2 4.42Å; L772-M806 HydrophobicContact CD1-CB 3.48Å; L772-M806 VanDerWaalsContact CD1-CB 3.48Å; L772-M806 HydrophobicContact CD1-CE 4.02Å; L772-M806 HydrophobicContact CD1-CG 3.76Å; L772-I810 HydrophobicContact CD1-CD1 3.66Å; L772-I810 HydrophobicContact CD1-CG1 3.96Å; L772-I810 HydrophobicContact CG-CD1 3.92Å; L772-I810 HydrophobicContact CG-CG1 4.05Å; L772-Y820 WeakPolarHBondContact CB-OH 3.34Å; L772-Y820 HydrophobicContact CD1-CE2 3.9Å
773P95.9Very high96.5Very high2 Ų224.8 Ų24.81%0.01311%0.114CC..  trans-78.4166.617434-38000112.8F696 Y775 L776 Y820F696-P773 VanDerWaalsContact O-CB 3.3Å; F696-P773 WeakPolarHBondContact O-CB 3.35Å; P773-Y775 VanDerWaalsContact C-N 3.28Å; P773-Y775 VanDerWaalsContact CG-O 3.23Å; P773-Y775 WeakPolarHBondContact CG-O 3.44Å; P773-Y775 PolarHBondContact O-N 2.98Å; P773-L776 HydrophobicContact CG-CB 4.26Å; P773-L776 HydrophobicContact CG-CD1 4.16Å; P773-Y820 WeakPolarHBondContact O-CE1 2.94Å; P773-Y820 PolarHBondContact O-OH 2.78Å
774T95.2Very high96Very high59 Ų5929 Ų2936%0.36213%0.13SC..SBendtrans-64.1-35.7170.6-53.40000111.5S695 L877S695-T774 PolarHBondContact O-N 3.1Å; T774-L877 HydrophobicContact CG2-CB 4.42Å; T774-L877 WeakPolarHBondContact O-CB 3.49Å; T774-L877 PolarHBondContact O-N 3.18Å
775Y97.8Very high95.5Very high12 Ų1235.5 Ų35.55%0.04716%0.155CC..EExtended strand (participates in β ladder)trans-116.4106.3174.5-63.8-81.8000109.7T561 A563 S695 F696 P773 Y823 Y875 E876T561-Y775 HydrophobicContact CG2-CD1 3.66Å; T561-Y775 HydrophobicContact CG2-CD2 3.95Å; T561-Y775 HydrophobicContact CG2-CE1 3.66Å; T561-Y775 HydrophobicContact CG2-CE2 3.98Å; T561-Y775 HydrophobicContact CG2-CG 3.79Å; A563-Y775 HydrophobicContact CB-CD2 4.48Å; A563-Y775 HydrophobicContact CB-CE2 3.45Å; A563-Y775 VanDerWaalsContact CB-CE2 3.45Å; A563-Y775 PolarHBondContact N-OH 2.71Å; A563-Y775 VanDerWaalsContact N-OH 3.15Å; S695-Y775 PolarHBondContact O-N 2.85Å; F696-Y775 HydrophobicContact CE1-CG 4.32Å; P773-Y775 VanDerWaalsContact C-N 3.28Å; P773-Y775 VanDerWaalsContact CG-O 3.23Å; P773-Y775 WeakPolarHBondContact CG-O 3.44Å; P773-Y775 PolarHBondContact O-N 2.98Å; Y775-Y823 AromaticContact CD1-CE1 3.69Å; Y775-Y823 HydrophobicContact CD1-CE1 3.69Å; Y775-Y823 AromaticContact CD1-CZ 3.9Å; Y775-Y823 HydrophobicContact CE1-CE1 4.26Å; Y775-Y875 CarbonylContact C-O 3.57Å; Y775-Y875 VanDerWaalsContact CA-O 3.26Å; Y775-Y875 WeakPolarHBondContact CA-O 3.2Å; Y775-E876 HydrophobicContact CD1-CB 4.03Å; Y775-E876 HydrophobicContact CD1-CG 4.18Å; Y775-E876 HydrophobicContact CE1-CB 3.8Å; Y775-E876 HydrophobicContact CE1-CG 3.55Å; Y775-E876 WeakPolarHBondContact CE1-OE1 3.38Å; Y775-E876 PolarHBondContact OH-OE1 2.78Å
776L98.2Very high94.9Very high1 Ų135.5 Ų35.51%0.00516%0.156CC..EExtended strand (participates in β ladder)trans-91.5115.5-178.9178.762.1000109.4F719 L722 P773 I778 M806 Y820 Y875F719-L776 HydrophobicContact CE2-CD1 4.03Å; F719-L776 HydrophobicContact CZ-CD1 4.45Å; L722-L776 HydrophobicContact CD1-CD1 3.92Å; L722-L776 HydrophobicContact CG-CD1 4.13Å; P773-L776 HydrophobicContact CG-CB 4.26Å; P773-L776 HydrophobicContact CG-CD1 4.16Å; L776-I778 HydrophobicContact CD1-CG1 4.47Å; L776-I778 HydrophobicContact CD2-CD1 4.01Å; L776-I778 HydrophobicContact CD2-CG1 4.26Å; L776-I778 HydrophobicContact CG-CD1 4.22Å; L776-I778 HydrophobicContact CG-CG1 3.93Å; L776-M806 HydrophobicContact CD2-CE 4.21Å; L776-M806 HydrophobicContact CD2-CG 4.34Å; L776-M806 HydrophobicContact CD2-SD 4.43Å; L776-Y820 HydrophobicContact CB-CD1 4.02Å; L776-Y820 HydrophobicContact CB-CE1 3.7Å; L776-Y875 PolarHBondContact N-O 2.9Å; L776-Y875 WeakPolarHBondContact O-CB 3.16Å; L776-Y875 PolarHBondContact O-N 2.94Å
777I98.8Very high94.4Very high1 Ų142.4 Ų42.41%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-97.5125.8173.5-51.9178.4000108.3L636 L640 F696 V721 L722 I872 F874L636-I777 HydrophobicContact CD2-CD1 4.39Å; L636-I777 HydrophobicContact CD2-CG2 4.02Å; L640-I777 HydrophobicContact CD1-CD1 3.64Å; F696-I777 HydrophobicContact CD1-CD1 3.64Å; F696-I777 HydrophobicContact CD1-CG1 3.95Å; F696-I777 HydrophobicContact CE1-CD1 3.84Å; F696-I777 HydrophobicContact CE1-CG1 4.21Å; V721-I777 WeakPolarHBondContact CA-O 3.45Å; V721-I777 HydrophobicContact CB-CB 4.48Å; V721-I777 HydrophobicContact CB-CG2 4.43Å; V721-I777 HydrophobicContact CG1-CB 4.32Å; V721-I777 HydrophobicContact CG1-CG2 3.9Å; V721-I777 HydrophobicContact CG2-CB 4.06Å; V721-I777 HydrophobicContact CG2-CD1 4.36Å; V721-I777 HydrophobicContact CG2-CG2 3.95Å; L722-I777 PolarHBondContact N-O 2.9Å; I777-I872 HydrophobicContact CG2-CG2 3.45Å; I777-I872 VanDerWaalsContact CG2-CG2 3.45Å; I777-F874 HydrophobicContact CD1-CD1 4.2Å; I777-F874 HydrophobicContact CD1-CE1 3.85Å; I777-F874 HydrophobicContact CG1-CD1 3.9Å; I777-F874 HydrophobicContact CG1-CE1 4.01Å; I777-F874 HydrophobicContact CG2-CD1 4.41Å; I777-F874 HydrophobicContact CG2-CE1 4.17Å; I777-F874 HydrophobicContact CG2-CZ 4.38Å
778I98.7Very high93.7Very high0 Ų043.1 Ų43.10%020%0.198CC..EExtended strand (participates in β ladder)trans-121.5115.5178.1-50.8179.2000109.1L722 L724 L733 L776 L804 I872 L873 Y875L722-I778 CarbonylContact O-C 3.5Å; L722-I778 WeakPolarHBondContact O-CA 3.34Å; L724-I778 HydrophobicContact CD1-CG2 3.41Å; L724-I778 VanDerWaalsContact CD1-CG2 3.41Å; L724-I778 HydrophobicContact CG-CG2 3.69Å; L733-I778 HydrophobicContact CD1-CG2 4.2Å; L733-I778 HydrophobicContact CD2-CD1 4.14Å; L776-I778 HydrophobicContact CD1-CG1 4.47Å; L776-I778 HydrophobicContact CD2-CD1 4.01Å; L776-I778 HydrophobicContact CD2-CG1 4.26Å; L776-I778 HydrophobicContact CG-CD1 4.22Å; L776-I778 HydrophobicContact CG-CG1 3.93Å; I778-L804 HydrophobicContact CD1-CD2 4.14Å; I778-I872 CarbonylContact O-C 3.59Å; I778-I872 WeakPolarHBondContact O-CA 3.38Å; I778-L873 HydrophobicContact CB-CB 4.37Å; I778-L873 PolarHBondContact N-O 3.25Å; I778-L873 PolarHBondContact O-N 2.74Å; I778-Y875 HydrophobicContact CD1-CD2 3.99Å; I778-Y875 HydrophobicContact CD1-CE2 4.06Å; I778-Y875 HydrophobicContact CG1-CD2 4.44Å
779H98.5Very high93.1Very high13 Ų1346.3 Ų46.36%0.0622%0.216CC..EExtended strand (participates in β ladder)trans-95.5131.2172.2153.7-124000109.7L633 V721 L722 S723 L724 Y871 I872L633-H779 HydrophobicContact CD1-CB 4Å; L633-H779 HydrophobicContact CD2-CB 4.4Å; L633-H779 VanDerWaalsContact CD2-CE1 3.4Å; L633-H779 WeakPolarHBondContact CD2-CE1 3.36Å; L633-H779 VanDerWaalsContact CD2-ND1 3.29Å; L633-H779 WeakPolarHBondContact CD2-ND1 3.22Å; V721-H779 HydrophobicContact CG1-CB 3.82Å; L722-H779 PolarHBondContact O-N 3.15Å; S723-H779 CarbonylContact C-O 3.54Å; S723-H779 WeakPolarHBondContact CA-O 2.97Å; S723-H779 VanDerWaalsContact CB-ND1 3.34Å; S723-H779 WeakPolarHBondContact CB-ND1 3.49Å; S723-H779 PolarHBondContact OG-ND1 3.24Å; L724-H779 PolarHBondContact N-O 3.23Å; H779-Y871 AromaticContact CD2-CE2 3.31Å; H779-Y871 WeakPolarHBondContact CD2-CE2 3.27Å; H779-Y871 AromaticContact CD2-CZ 3.5Å; H779-Y871 VanDerWaalsContact CD2-CZ 3.5Å; H779-Y871 PolarHBondContact CD2-OH 3.05Å; H779-Y871 AromaticContact NE2-CE2 3.26Å; H779-Y871 VanDerWaalsContact NE2-CE2 3.26Å; H779-Y871 WeakPolarHBondContact NE2-CE2 3.24Å; H779-Y871 AromaticContact NE2-CZ 3.46Å; H779-Y871 PolarHBondContact NE2-OH 3.34Å; H779-I872 HydrophobicContact CB-CG1 4.45Å
780L97.7Very high92.6Very high0 Ų052.6 Ų52.60%024%0.24CC..EExtended strand (participates in β ladder)trans-92.9114173.2-60.7178.5000108.9I726 L733 R782 V797 Y871I726-L780 HydrophobicContact CD1-CB 3.84Å; I726-L780 HydrophobicContact CG1-CB 4.3Å; L733-L780 HydrophobicContact CD1-CD2 3.99Å; L780-R782 HydrophobicContact CB-CG 4.48Å; L780-R782 PolarHBondContact O-N 3.2Å; L780-V797 HydrophobicContact CD1-CB 4.15Å; L780-V797 HydrophobicContact CD1-CG1 4.35Å; L780-V797 HydrophobicContact CD1-CG2 4.25Å; L780-V797 HydrophobicContact CD2-CG1 4.47Å; L780-Y871 PolarHBondContact N-O 2.76Å; L780-Y871 WeakPolarHBondContact O-CD2 3.32Å; L780-Y871 WeakPolarHBondContact O-CE2 3.16Å
781K95.7Very high92.1Very high87 Ų8757.8 Ų57.838%0.37826%0.26SS..  trans-67.271.5-178.2-73.1170.1164.1148.80112.5S723 L724 Q793S723-K781 WeakPolarHBondContact O-CD 3.37Å; S723-K781 WeakPolarHBondContact O-CE 3.24Å; S723-K781 PolarHBondContact O-NZ 2.78Å; L724-K781 VanDerWaalsContact O-CB 3.24Å; L724-K781 WeakPolarHBondContact O-CB 3.48Å; L724-K781 WeakPolarHBondContact O-CG 3.22Å; L724-K781 PolarHBondContact O-N 3.31Å; K781-Q793 PolarHBondContact O-OE1 2.75Å
782R94.2Very high92Very high1 Ų156.4 Ų56.40%0.00425%0.254CS..  trans-73.6-36.4-179-69.5-171.1179.4-73.2-2.2112.6I726 L780 K792 Q793 T795 D868 A870 Y871I726-R782 HydrophobicContact CD1-CB 4.34Å; I726-R782 HydrophobicContact CD1-CG 3.55Å; L780-R782 HydrophobicContact CB-CG 4.48Å; L780-R782 PolarHBondContact O-N 3.2Å; R782-K792 HydrophobicContact CB-CG 4.16Å; R782-K792 CarbonylContact O-C 3.57Å; R782-K792 WeakPolarHBondContact O-CA 3.45Å; R782-Q793 PolarHBondContact NH1-O 2.77Å; R782-Q793 PolarHBondContact O-N 2.89Å; R782-T795 PolarHBondContact NH1-O 3.05Å; R782-T795 PolarHBondContact NH2-O 3.4Å; R782-D868 PolarHBondContact NE-O 3.31Å; R782-D868 PolarHBondContact NH1-O 3.03Å; R782-D868 PolarHBondContact NH2-O 3.49Å; R782-A870 VanDerWaalsContact CZ-O 3.27Å; R782-A870 PolarHBondContact NE-O 2.91Å; R782-A870 PolarHBondContact NH2-O 3.43Å; R782-Y871 HydrophobicContact CB-CD2 4.34Å; R782-Y871 HydrophobicContact CB-CE2 4.5Å; R782-Y871 HydrophobicContact CG-CD2 4.26Å
783F91.2Very high91.8Very high34 Ų3456.8 Ų56.815%0.14926%0.255CS..EExtended strand (participates in β ladder)trans-81.5126.9-178.7-57.3-69.9000111.1W790 R791 K792 H828 M832 Y871F783-W790 HydrophobicContact CB-CE3 4.33Å; F783-W790 HydrophobicContact CB-CZ3 4.45Å; F783-R791 CarbonylContact C-O 3.33Å; F783-R791 WeakPolarHBondContact CA-O 3.44Å; F783-K792 HydrophobicContact CD1-CB 4.16Å; F783-K792 HydrophobicContact CE1-CB 4.14Å; F783-K792 HydrophobicContact CE1-CG 4.31Å; F783-H828 AromaticContact CZ-CE1 3.62Å; F783-H828 AromaticContact CZ-ND1 3.52Å; F783-M832 HydrophobicContact CD1-CB 3.98Å; F783-M832 HydrophobicContact CD1-CG 4.12Å; F783-M832 HydrophobicContact CE1-CB 3.84Å; F783-M832 HydrophobicContact CE1-CG 4.12Å; F783-Y871 HydrophobicContact CD2-CE2 4.09Å; F783-Y871 HydrophobicContact CE2-CE1 4.35Å; F783-Y871 AromaticContact CE2-CE2 3.96Å; F783-Y871 HydrophobicContact CE2-CE2 3.96Å; F783-Y871 AromaticContact CE2-CZ 3.84Å
784R87.7Confident91.5Very high90 Ų9060.9 Ų60.934%0.3428%0.28SS..EExtended strand (participates in β ladder)trans-129.1150.1172.1-60.5-169-172.8-151.32.4110I726 E786 W790 R791I726-R784 PolarHBondContact O-NH2 2.94Å; R784-E786 HydrophobicContact CB-CG 4.4Å; R784-W790 WeakPolarHBondContact O-CA 3.45Å; R784-R791 PolarHBondContact N-O 2.99Å; R784-R791 PolarHBondContact O-N 2.69Å
785Y86.3Confident91.4Very high141 Ų14158.9 Ų58.955%0.55327%0.268SS*.EExtended strand (participates in β ladder)trans-99.1115171.2-166.5-115.2000108.8G788 W790Y785-G788 VanDerWaalsContact CE2-O 3.25Å; Y785-G788 WeakPolarHBondContact CE2-O 3.17Å; Y785-G788 VanDerWaalsContact OH-C 3.29Å; Y785-G788 WeakPolarHBondContact OH-CA 3.25Å; Y785-G788 PolarHBondContact OH-O 3.22Å; Y785-W790 AromaticContact CD2-CD1 3.8Å; Y785-W790 AromaticContact CD2-CD2 3.77Å; Y785-W790 HydrophobicContact CD2-CD2 3.77Å; Y785-W790 AromaticContact CD2-CE2 3.6Å; Y785-W790 HydrophobicContact CD2-CE3 4.43Å; Y785-W790 AromaticContact CD2-CG 3.91Å; Y785-W790 HydrophobicContact CD2-CG 3.91Å; Y785-W790 HydrophobicContact CD2-CZ2 4.15Å; Y785-W790 AromaticContact CD2-NE1 3.6Å; Y785-W790 AromaticContact CE2-NE1 3.84Å; Y785-W790 HydrophobicContact CG-CD2 4.49Å; Y785-W790 HydrophobicContact CG-CZ2 4.44Å
786E83.9Confident91.1Very high70 Ų7060.9 Ų60.933%0.32728%0.279SS..EExtended strand (participates in β ladder)trans-133.9132.1-177-66.6-177.4177.500109.7R784 G788 N789 R791R784-E786 HydrophobicContact CB-CG 4.4Å; E786-G788 PolarHBondContact O-N 3.24Å; E786-N789 PolarHBondContact N-O 3.42Å; E786-N789 PolarHBondContact O-N 3.47Å; E786-R791 VanDerWaalsContact OE2-CD 3.28Å; E786-R791 WeakPolarHBondContact OE2-CD 3.37Å; E786-R791 IonicContact OE2-CZ 3.67Å; E786-R791 IonicContact OE2-NE 3.37Å; E786-R791 IonicContact OE2-NH1 2.86Å; E786-R791 PolarHBondContact OE2-NH1 3.06Å
787Y86.5Confident91Very high203 Ų20360.9 Ų60.980%0.79628%0.279SS*.THydrogen-bonded Turntrans5044.2176-49.1-77.3000113.3N789Y787-N789 VanDerWaalsContact C-N 3.27Å; Y787-N789 PolarHBondContact O-N 3.28Å; Y787-N789 PolarHBondContact O-ND2 3.04Å
788G83.6Confident90.9Very high45 Ų4561.9 Ų61.946%0.46428%0.284SS..THydrogen-bonded Turntrans76.81.2-179.900000115.8Y785 E786Y785-G788 VanDerWaalsContact CE2-O 3.25Å; Y785-G788 WeakPolarHBondContact CE2-O 3.17Å; Y785-G788 VanDerWaalsContact OH-C 3.29Å; Y785-G788 WeakPolarHBondContact OH-CA 3.25Å; Y785-G788 PolarHBondContact OH-O 3.22Å; E786-G788 PolarHBondContact O-N 3.24Å
789N84Confident90.9Very high104 Ų10462 Ų6256%0.55629%0.285SS*.EExtended strand (participates in β ladder)trans-128.2147.5-171.7-69.5-93000112.1E786 Y787E786-N789 PolarHBondContact N-O 3.42Å; E786-N789 PolarHBondContact O-N 3.47Å; Y787-N789 VanDerWaalsContact C-N 3.27Å; Y787-N789 PolarHBondContact O-N 3.28Å; Y787-N789 PolarHBondContact O-ND2 3.04Å
790W85.2Confident90.8Very high131 Ų13163.5 Ų63.550%0.49630%0.296SS..EExtended strand (participates in β ladder)trans-81.1133.1172.5-72.3100000111.4F783 R784 Y785 M832F783-W790 HydrophobicContact CB-CE3 4.33Å; F783-W790 HydrophobicContact CB-CZ3 4.45Å; R784-W790 WeakPolarHBondContact O-CA 3.45Å; Y785-W790 AromaticContact CD2-CD1 3.8Å; Y785-W790 AromaticContact CD2-CD2 3.77Å; Y785-W790 HydrophobicContact CD2-CD2 3.77Å; Y785-W790 AromaticContact CD2-CE2 3.6Å; Y785-W790 HydrophobicContact CD2-CE3 4.43Å; Y785-W790 AromaticContact CD2-CG 3.91Å; Y785-W790 HydrophobicContact CD2-CG 3.91Å; Y785-W790 HydrophobicContact CD2-CZ2 4.15Å; Y785-W790 AromaticContact CD2-NE1 3.6Å; Y785-W790 AromaticContact CE2-NE1 3.84Å; Y785-W790 HydrophobicContact CG-CD2 4.49Å; Y785-W790 HydrophobicContact CG-CZ2 4.44Å; W790-M832 HydrophobicContact CB-CE 4.11Å; W790-M832 HydrophobicContact CB-SD 4.13Å; W790-M832 VanDerWaalsContact CD1-CE 3.42Å; W790-M832 HydrophobicContact CD2-CE 3.82Å; W790-M832 HydrophobicContact CD2-SD 3.61Å; W790-M832 HydrophobicContact CE3-SD 3.85Å; W790-M832 HydrophobicContact CG-CE 3.52Å; W790-M832 HydrophobicContact CG-SD 3.74Å; W790-M832 HydrophobicContact CZ3-SD 4.49Å
791R87.2Confident90.8Very high131 Ų13164.6 Ų64.649%0.49430%0.301SS..EExtended strand (participates in β ladder)trans-129.5140.5178.5-69.6-179.6171.8177.7-7110.6F783 R784 E786F783-R791 CarbonylContact C-O 3.33Å; F783-R791 WeakPolarHBondContact CA-O 3.44Å; R784-R791 PolarHBondContact N-O 2.99Å; R784-R791 PolarHBondContact O-N 2.69Å; E786-R791 VanDerWaalsContact OE2-CD 3.28Å; E786-R791 WeakPolarHBondContact OE2-CD 3.37Å; E786-R791 IonicContact OE2-CZ 3.67Å; E786-R791 IonicContact OE2-NE 3.37Å; E786-R791 IonicContact OE2-NH1 2.86Å; E786-R791 PolarHBondContact OE2-NH1 3.06Å
792K90.6Very high90.7Very high40 Ų4063.8 Ų63.817%0.17430%0.299CS..EExtended strand (participates in β ladder)trans-98.5122.1173.2178.5-169.5164-1680109.4R782 F783 T794 H828 G830 N869R782-K792 HydrophobicContact CB-CG 4.16Å; R782-K792 CarbonylContact O-C 3.57Å; R782-K792 WeakPolarHBondContact O-CA 3.45Å; F783-K792 HydrophobicContact CD1-CB 4.16Å; F783-K792 HydrophobicContact CE1-CB 4.14Å; F783-K792 HydrophobicContact CE1-CG 4.31Å; K792-T794 PolarHBondContact O-N 2.73Å; K792-H828 PolarHBondContact NZ-O 3.07Å; K792-G830 VanDerWaalsContact CD-O 3.27Å; K792-G830 WeakPolarHBondContact CD-O 3.48Å; K792-N869 PolarHBondContact NZ-OD1 2.75Å
793Q90.1Very high90.7Very high28 Ų2866.5 Ų66.513%0.13132%0.318CS..  trans-68.3115.1164.8-67.8-171.7-90.100110I726 E727 K781 R782 T795I726-Q793 PolarHBondContact O-NE2 2.56Å; E727-Q793 PolarHBondContact O-NE2 2.78Å; E727-Q793 VanDerWaalsContact O-NE2 3.14Å; K781-Q793 PolarHBondContact O-OE1 2.75Å; R782-Q793 PolarHBondContact NH1-O 2.77Å; R782-Q793 PolarHBondContact O-N 2.89Å; Q793-T795 PolarHBondContact O-N 3.32Å
794T90.6Very high91Very high88 Ų8865 Ų6554%0.5431%0.311SS..  trans-88.220.8169.653.10000112.2K792 N796K792-T794 PolarHBondContact O-N 2.73Å; T794-N796 PolarHBondContact O-N 2.9Å; T794-N796 VanDerWaalsContact O-N 3.15Å
795T92.4Very high91.3Very high17 Ų1763.9 Ų63.910%0.10431%0.312CS..  trans-53.4121.8173.9-49.80000109.5I726 E727 N729 R782 Q793 V797I726-T795 HydrophobicContact CG2-CG2 3.88Å; E727-T795 PolarHBondContact O-OG1 2.9Å; E727-T795 VanDerWaalsContact O-OG1 3.11Å; N729-T795 WeakPolarHBondContact O-CG2 3.34Å; R782-T795 PolarHBondContact NH1-O 3.05Å; R782-T795 PolarHBondContact NH2-O 3.4Å; Q793-T795 PolarHBondContact O-N 3.32Å; T795-V797 HydrophobicContact CG2-CG2 4.44Å; T795-V797 PolarHBondContact O-N 2.71Å
796N92.5Very high91.7Very high54 Ų5457.1 Ų57.129%0.28929%0.285SS..  trans-73.1117.9170.4-175.3-45.9000107.7K730 T794K730-N796 VanDerWaalsContact CE-OD1 3.27Å; K730-N796 WeakPolarHBondContact CE-OD1 3.42Å; K730-N796 HydrophobicContact CG-CB 4.22Å; K730-N796 WeakPolarHBondContact CG-O 3.38Å; T794-N796 PolarHBondContact O-N 2.9Å; T794-N796 VanDerWaalsContact O-N 3.15Å
797V96.7Very high92.1Very high0 Ų055.9 Ų55.90%028%0.284CS..EExtended strand (participates in β ladder)trans-109117.3179.4-179.70000106.4I726 C731 L733 L780 T795 F799I726-V797 HydrophobicContact CG2-CG2 3.53Å; C731-V797 WeakPolarHBondContact O-CA 3.38Å; L733-V797 HydrophobicContact CB-CG1 4.4Å; L780-V797 HydrophobicContact CD1-CB 4.15Å; L780-V797 HydrophobicContact CD1-CG1 4.35Å; L780-V797 HydrophobicContact CD1-CG2 4.25Å; L780-V797 HydrophobicContact CD2-CG1 4.47Å; T795-V797 HydrophobicContact CG2-CG2 4.44Å; T795-V797 PolarHBondContact O-N 2.71Å; V797-F799 WeakPolarHBondContact O-CD1 3.44Å
798D96.8Very high92.4Very high22 Ų2250.3 Ų50.312%0.11828%0.275CS..EExtended strand (participates in β ladder)trans-77125.4176.3-71.4-33.2000109.7K730 C731 Q732 L733 Q866K730-D798 WeakPolarHBondContact CE-OD1 3.13Å; K730-D798 WeakPolarHBondContact CE-OD2 3.47Å; K730-D798 IonicContact NZ-OD1 2.75Å; K730-D798 PolarHBondContact NZ-OD1 3.17Å; K730-D798 IonicContact NZ-OD2 3.23Å; K730-D798 PolarHBondContact NZ-OD2 3.27Å; C731-D798 PolarHBondContact O-N 3.39Å; Q732-D798 CarbonylContact C-O 3.57Å; Q732-D798 PolarHBondContact NE2-OD2 2.98Å; Q732-D798 VanDerWaalsContact OE1-CB 3.27Å; L733-D798 WeakPolarHBondContact CB-O 3.34Å; L733-D798 PolarHBondContact N-O 2.84Å; D798-Q866 VanDerWaalsContact CG-NE2 3.31Å; D798-Q866 PolarHBondContact OD1-NE2 3.04Å
799F97.4Very high93Very high4 Ų449.6 Ų49.62%0.01826%0.259CS..  trans-128.7134.9-178.451.4-98.6000111.9L733 V797 I801 L822 V825 I865 Q866 A870 L873L733-F799 HydrophobicContact CB-CB 4.06Å; L733-F799 HydrophobicContact CD2-CB 3.87Å; L733-F799 HydrophobicContact CG-CB 4.47Å; V797-F799 WeakPolarHBondContact O-CD1 3.44Å; F799-I801 PolarHBondContact O-N 3.32Å; F799-L822 HydrophobicContact CD2-CD2 3.83Å; F799-L822 HydrophobicContact CE2-CD2 3.65Å; F799-V825 HydrophobicContact CE2-CG2 4.05Å; F799-V825 HydrophobicContact CZ-CG1 4.47Å; F799-V825 HydrophobicContact CZ-CG2 4.29Å; F799-I865 HydrophobicContact CE2-CG2 4.21Å; F799-Q866 HydrophobicContact CE1-CG 4.5Å; F799-Q866 PolarHBondContact O-OE1 2.83Å; F799-A870 HydrophobicContact CE1-CB 3.57Å; F799-A870 HydrophobicContact CZ-CB 3.85Å; F799-L873 HydrophobicContact CB-CD1 3.74Å; F799-L873 HydrophobicContact CD1-CD1 4.03Å; F799-L873 HydrophobicContact CD1-CD2 4.07Å; F799-L873 HydrophobicContact CD2-CD1 4.31Å; F799-L873 HydrophobicContact CD2-CD2 4.09Å; F799-L873 HydrophobicContact CE1-CD2 4.01Å; F799-L873 HydrophobicContact CE2-CD2 4.03Å; F799-L873 HydrophobicContact CG-CD1 3.78Å; F799-L873 HydrophobicContact CG-CD2 4.12Å; F799-L873 HydrophobicContact CZ-CD2 3.98Å
800P96.8Very high93.4Very high44 Ų4445.4 Ų45.429%0.28624%0.237SC..  trans-67.9134.4-177.7-19.832.7000112.5C803 L804 Y875P800-C803 WeakPolarHBondContact CB-O 3.39Å; P800-L804 HydrophobicContact CB-CB 4.14Å; P800-L804 HydrophobicContact CG-CB 4.17Å; P800-L804 HydrophobicContact CG-CD1 4.01Å; P800-Y875 VanDerWaalsContact O-CE1 3.26Å; P800-Y875 WeakPolarHBondContact O-CE1 3.47Å; P800-Y875 PolarHBondContact O-OH 3.37Å
801I96.7Very high93.8Very high22 Ų2242.2 Ų42.211%0.11323%0.231CC..SBendtrans-88.3-49.6-177.5-59.4171.7000112.1F799 L822 W849 I865F799-I801 PolarHBondContact O-N 3.32Å; I801-L822 HydrophobicContact CG1-CD2 4.25Å; I801-L822 HydrophobicContact CG2-CD2 4.44Å; I801-L822 VanDerWaalsContact O-CB 3.23Å; I801-L822 WeakPolarHBondContact O-CB 3.46Å; I801-L822 PolarHBondContact O-N 2.79Å; I801-W849 HydrophobicContact CG2-CZ2 3.99Å; I801-I865 HydrophobicContact CD1-CB 4.04Å; I801-I865 HydrophobicContact CD1-CD1 4.18Å; I801-I865 HydrophobicContact CD1-CG2 4.09Å; I801-I865 HydrophobicContact CG1-CG2 4.35Å; I801-I865 HydrophobicContact CG2-CD1 4.3Å
802E94.2Very high94Very high71 Ų7136.3 Ų36.333%0.33221%0.212SC..SBendtrans-96.8-28.8-174-58.2-73.3-179.800113.8A821 R842 K862E802-A821 WeakPolarHBondContact O-CB 3.08Å; E802-R842 IonicContact OE1-CZ 3.04Å; E802-R842 IonicContact OE1-NH1 3.98Å; E802-R842 IonicContact OE1-NH2 2.66Å; E802-R842 PolarHBondContact OE1-NH2 3.46Å; E802-R842 IonicContact OE2-CZ 2.89Å; E802-R842 IonicContact OE2-NH1 3.35Å; E802-R842 PolarHBondContact OE2-NH1 3.2Å; E802-R842 IonicContact OE2-NH2 2.79Å; E802-R842 PolarHBondContact OE2-NH2 3.04Å; E802-R842 VanDerWaalsContact OE2-NH2 3.13Å; E802-K862 VanDerWaalsContact CG-NZ 3.29Å; E802-K862 IonicContact OE1-NZ 2.78Å; E802-K862 PolarHBondContact OE1-NZ 3.27Å
803C95Very high93.7Very high58 Ų5837.9 Ų37.939%0.39223%0.226SC..  trans-148.8108.1176.9-176.60000111.3P800 Y820P800-C803 WeakPolarHBondContact CB-O 3.39Å; C803-Y820 CarbonylContact C-O 3.52Å; C803-Y820 VanDerWaalsContact CA-O 3.3Å; C803-Y820 WeakPolarHBondContact CA-O 3.24Å
804L96.3Very high93.3Very high3 Ų341.9 Ų41.92%0.01624%0.243CC..EExtended strand (participates in β ladder)trans-98105.5162.2168.362.6000107.5L733 I778 P800 M806 E819 Y820 Y875L733-L804 HydrophobicContact CD2-CD1 4.3Å; L733-L804 HydrophobicContact CD2-CD2 3.88Å; I778-L804 HydrophobicContact CD1-CD2 4.14Å; P800-L804 HydrophobicContact CB-CB 4.14Å; P800-L804 HydrophobicContact CG-CB 4.17Å; P800-L804 HydrophobicContact CG-CD1 4.01Å; L804-M806 HydrophobicContact CD1-SD 4.05Å; L804-M806 HydrophobicContact CD2-CG 4.46Å; L804-M806 HydrophobicContact CD2-SD 3.93Å; L804-M806 HydrophobicContact CG-CG 4.18Å; L804-M806 HydrophobicContact CG-SD 3.88Å; L804-M806 PolarHBondContact O-N 2.93Å; L804-E819 CarbonylContact O-C 3.54Å; L804-E819 WeakPolarHBondContact O-CA 3.13Å; L804-Y820 PolarHBondContact N-O 2.93Å; L804-Y820 PolarHBondContact O-N 3.09Å; L804-Y875 HydrophobicContact CB-CD1 4.23Å; L804-Y875 HydrophobicContact CB-CE1 3.74Å; L804-Y875 HydrophobicContact CD2-CD1 4.13Å; L804-Y875 HydrophobicContact CD2-CD2 4.07Å; L804-Y875 HydrophobicContact CD2-CE1 3.85Å; L804-Y875 HydrophobicContact CD2-CE2 3.77Å; L804-Y875 HydrophobicContact CD2-CG 4.24Å; L804-Y875 HydrophobicContact CG-CE1 4.46Å
805D94.7Very high92.2Very high65 Ų6543.5 Ų43.535%0.34825%0.248SC..EExtended strand (participates in β ladder)trans-80.5115.7172178.436.4000111.1S807D805-S807 VanDerWaalsContact CG-OG 3.29Å; D805-S807 WeakPolarHBondContact OD1-CA 3.27Å; D805-S807 WeakPolarHBondContact OD1-CB 3.49Å; D805-S807 PolarHBondContact OD1-N 3.38Å; D805-S807 PolarHBondContact OD1-OG 2.98Å; D805-S807 VanDerWaalsContact OD1-OG 3.12Å; D805-S807 PolarHBondContact OD2-OG 2.76Å
806M95.2Very high91.1Very high0 Ų049.2 Ų49.20%027%0.273CS..  trans-95-1.6173.8-61.2-66.4-68.200112.9L737 L769 L772 L776 L804 S808 F809 I810 S818 Y820L737-M806 HydrophobicContact CD1-CE 3.88Å; L737-M806 HydrophobicContact CD1-SD 3.76Å; L737-M806 HydrophobicContact CD2-CE 4.05Å; L769-M806 HydrophobicContact CD1-CE 3.51Å; L772-M806 HydrophobicContact CD1-CB 3.48Å; L772-M806 VanDerWaalsContact CD1-CB 3.48Å; L772-M806 HydrophobicContact CD1-CE 4.02Å; L772-M806 HydrophobicContact CD1-CG 3.76Å; L776-M806 HydrophobicContact CD2-CE 4.21Å; L776-M806 HydrophobicContact CD2-CG 4.34Å; L776-M806 HydrophobicContact CD2-SD 4.43Å; L804-M806 HydrophobicContact CD1-SD 4.05Å; L804-M806 HydrophobicContact CD2-CG 4.46Å; L804-M806 HydrophobicContact CD2-SD 3.93Å; L804-M806 HydrophobicContact CG-CG 4.18Å; L804-M806 HydrophobicContact CG-SD 3.88Å; L804-M806 PolarHBondContact O-N 2.93Å; M806-S808 PolarHBondContact O-N 3.29Å; M806-S808 VanDerWaalsContact O-N 3.09Å; M806-F809 HydrophobicContact CE-CD2 4.43Å; M806-F809 PolarHBondContact O-N 3.4Å; M806-F809 HydrophobicContact SD-CD2 4.35Å; M806-I810 HydrophobicContact CB-CD1 4.34Å; M806-I810 WeakPolarHBondContact O-CG1 3.45Å; M806-I810 PolarHBondContact O-N 2.77Å; M806-S818 WeakPolarHBondContact CB-O 3.45Å; M806-S818 PolarHBondContact N-O 3.35Å; M806-Y820 HydrophobicContact CB-CE2 4.4Å; M806-Y820 HydrophobicContact CG-CD2 3.9Å; M806-Y820 HydrophobicContact CG-CE2 4.01Å
807S91.9Very high90.5Very high44 Ų4447.4 Ų47.431%0.30827%0.265SS..THydrogen-bonded Turntrans-57.5-30.3-172.579.20000113.4D805 K814D805-S807 VanDerWaalsContact CG-OG 3.29Å; D805-S807 WeakPolarHBondContact OD1-CA 3.27Å; D805-S807 WeakPolarHBondContact OD1-CB 3.49Å; D805-S807 PolarHBondContact OD1-N 3.38Å; D805-S807 PolarHBondContact OD1-OG 2.98Å; D805-S807 VanDerWaalsContact OD1-OG 3.12Å; D805-S807 PolarHBondContact OD2-OG 2.76Å; S807-K814 PolarHBondContact O-NZ 2.78Å
808S93.2Very high90.2Very high86 Ų8648 Ų4860%0.60127%0.269SS*.THydrogen-bonded Turntrans-72.8-27.7177.855.20000113.9M806M806-S808 PolarHBondContact O-N 3.29Å; M806-S808 VanDerWaalsContact O-N 3.09Å
809F94.8Very high90.1Very high30 Ų3050.6 Ų50.613%0.13228%0.28CS..THydrogen-bonded Turntrans-92.1-15-178-60.8-76.1000113.9T734 L737 K738 L741 L769 M806T734-F809 HydrophobicContact CG2-CE2 4.13Å; T734-F809 HydrophobicContact CG2-CZ 4.27Å; L737-F809 HydrophobicContact CB-CD1 4.42Å; L737-F809 HydrophobicContact CB-CE1 3.93Å; L737-F809 HydrophobicContact CB-CE2 4.42Å; L737-F809 HydrophobicContact CB-CZ 3.94Å; L737-F809 HydrophobicContact CD1-CD2 4.28Å; L737-F809 HydrophobicContact CD1-CE2 3.97Å; L737-F809 HydrophobicContact CD1-CZ 4.29Å; K738-F809 HydrophobicContact CG-CE1 4.15Å; L741-F809 HydrophobicContact CD1-CB 4.2Å; L741-F809 HydrophobicContact CD1-CD1 3.7Å; L741-F809 HydrophobicContact CD1-CG 4.33Å; L769-F809 HydrophobicContact CD1-CB 3.82Å; M806-F809 HydrophobicContact CE-CD2 4.43Å; M806-F809 PolarHBondContact O-N 3.4Å; M806-F809 HydrophobicContact SD-CD2 4.35Å
810I93.6Very high90.1Very high15 Ų1550.6 Ų50.68%0.07728%0.28CS..BIsolated β-bridgetrans-84.2124.5-178.6-62.7166.2000110.7L769 L772 M806 K814 S818L769-I810 WeakPolarHBondContact O-CA 3.48Å; L772-I810 HydrophobicContact CD1-CD1 3.66Å; L772-I810 HydrophobicContact CD1-CG1 3.96Å; L772-I810 HydrophobicContact CG-CD1 3.92Å; L772-I810 HydrophobicContact CG-CG1 4.05Å; M806-I810 HydrophobicContact CB-CD1 4.34Å; M806-I810 WeakPolarHBondContact O-CG1 3.45Å; M806-I810 PolarHBondContact O-N 2.77Å; I810-K814 WeakPolarHBondContact O-CE 3.48Å; I810-K814 PolarHBondContact O-NZ 2.72Å; I810-S818 WeakPolarHBondContact CD1-OG 3.37Å
811V93.5Very high90.1Very high64 Ų6449 Ų4939%0.38827%0.271SS..  trans-99.4-15.8176.2-59.60000113.7E768 L769 W770E768-V811 HydrophobicContact CB-CG1 4.19Å; E768-V811 HydrophobicContact CB-CG2 3.69Å; L769-V811 PolarHBondContact O-N 3.02Å; W770-V811 HydrophobicContact CE3-CG2 3.85Å; W770-V811 HydrophobicContact CZ3-CG2 4.36Å
812G90.3Very high90.2Very high8 Ų848 Ų488%0.08227%0.265CS..SBendtrans-84.8-173.3177.400000114.6W770 K814W770-G812 WeakPolarHBondContact O-CA 3.28Å; G812-K814 PolarHBondContact O-N 2.93Å
813P85.6Confident90.3Very high73 Ų7345.2 Ų45.247%0.47425%0.252SS..  trans-63.2116-174.7-24.635.4000114.1L815P813-L815 HydrophobicContact CB-CD1 4.21Å; P813-L815 HydrophobicContact CB-CG 4.07Å; P813-L815 PolarHBondContact O-N 2.91Å
814K80.4Confident90.5Very high111 Ų11142.5 Ų42.548%0.48323%0.233SC..  trans-80.753.5-177-53.4-169.7-175.2-170.90113S807 I810 G812 R880S807-K814 PolarHBondContact O-NZ 2.78Å; I810-K814 WeakPolarHBondContact O-CE 3.48Å; I810-K814 PolarHBondContact O-NZ 2.72Å; G812-K814 PolarHBondContact O-N 2.93Å; K814-R880 PolarHBondContact O-NH2 2.95Å
815L68.1Low90.6Very high123 Ų12342.3 Ų42.364%0.64423%0.233SC*.  trans-70-32.6-174.4-68.2170.8000113.5P813 R880P813-L815 HydrophobicContact CB-CD1 4.21Å; P813-L815 HydrophobicContact CB-CG 4.07Å; P813-L815 PolarHBondContact O-N 2.91Å; L815-R880 PolarHBondContact O-NH1 3.02Å
816H70Confident90.8Very high137 Ų13739.2 Ų39.263%0.63422%0.216SC*.SBendtrans-118.4-171.7-173.8-56-61.7000112.1R880H816-R880 PolarHBondContact O-NE 2.85Å; H816-R880 PolarHBondContact O-NH2 3.38Å
817S80.3Confident90.9Very high16 Ų1639.2 Ų39.211%0.11222%0.216CC..  trans-58.7164.1167-165.10000110.7E819 L878S817-E819 PolarHBondContact OG-N 3.21Å; S817-L878 WeakPolarHBondContact CB-O 3.14Å; S817-L878 PolarHBondContact OG-O 3.2Å
818S89.4Confident91.1Very high13 Ų1337.3 Ų37.39%0.09120%0.202CC..  trans-135.511.5166.5-55.10000111.4M806 I810 Y820M806-S818 WeakPolarHBondContact CB-O 3.45Å; M806-S818 PolarHBondContact N-O 3.35Å; I810-S818 WeakPolarHBondContact CD1-OG 3.37Å; S818-Y820 WeakPolarHBondContact O-CD2 3.43Å
819E94.9Very high91.2Very high75 Ų7537.3 Ų37.335%0.3519%0.189SC..EExtended strand (participates in β ladder)trans-90.8134.8176.4-59174.7141.500109.2L804 S817 L878L804-E819 CarbonylContact O-C 3.54Å; L804-E819 WeakPolarHBondContact O-CA 3.13Å; S817-E819 PolarHBondContact OG-N 3.21Å; E819-L878 HydrophobicContact CB-CB 4.36Å; E819-L878 HydrophobicContact CB-CD1 4.12Å; E819-L878 WeakPolarHBondContact O-CB 3.3Å; E819-L878 PolarHBondContact O-N 2.95Å
820Y96.9Very high91Very high4 Ų438 Ų382%0.01620%0.204CC..EExtended strand (participates in β ladder)trans-126.7141.7-179.2-71.1-101.9000112.2L772 P773 L776 C803 L804 M806 S818 E876 L877L772-Y820 WeakPolarHBondContact CB-OH 3.34Å; L772-Y820 HydrophobicContact CD1-CE2 3.9Å; P773-Y820 WeakPolarHBondContact O-CE1 2.94Å; P773-Y820 PolarHBondContact O-OH 2.78Å; L776-Y820 HydrophobicContact CB-CD1 4.02Å; L776-Y820 HydrophobicContact CB-CE1 3.7Å; C803-Y820 CarbonylContact C-O 3.52Å; C803-Y820 VanDerWaalsContact CA-O 3.3Å; C803-Y820 WeakPolarHBondContact CA-O 3.24Å; L804-Y820 PolarHBondContact N-O 2.93Å; L804-Y820 PolarHBondContact O-N 3.09Å; M806-Y820 HydrophobicContact CB-CE2 4.4Å; M806-Y820 HydrophobicContact CG-CD2 3.9Å; M806-Y820 HydrophobicContact CG-CE2 4.01Å; S818-Y820 WeakPolarHBondContact O-CD2 3.43Å; Y820-E876 CarbonylContact C-O 3.59Å; Y820-E876 VanDerWaalsContact CA-O 3.31Å; Y820-E876 WeakPolarHBondContact CA-O 3.18Å; Y820-L877 HydrophobicContact CD1-CB 4.07Å; Y820-L877 HydrophobicContact CD1-CD1 4.48Å; Y820-L877 HydrophobicContact CD2-CD1 4.21Å; Y820-L877 HydrophobicContact CE1-CB 3.67Å; Y820-L877 HydrophobicContact CE1-CD1 4Å; Y820-L877 HydrophobicContact CE1-CG 4.44Å; Y820-L877 HydrophobicContact CE2-CD1 3.68Å
821A96.6Very high90.7Very high11 Ų1141.1 Ų41.19%0.09122%0.224CC..EExtended strand (participates in β ladder)trans-100.8138.8167.400000110.7E802 Y875 E876 L878E802-A821 WeakPolarHBondContact O-CB 3.08Å; A821-Y875 CarbonylContact O-C 3.55Å; A821-Y875 WeakPolarHBondContact O-CA 3.36Å; A821-E876 PolarHBondContact N-O 3.23Å; A821-E876 PolarHBondContact O-N 3.32Å; A821-L878 HydrophobicContact CB-CD1 4.5Å; A821-L878 HydrophobicContact CB-CD2 3.81Å; A821-L878 HydrophobicContact CB-CG 4.22Å
822L98.3Very high90Very high1 Ų141.7 Ų41.71%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-71.3133.7172.9-168.972.9000108.9F799 I801 V825 W849 I865 L873 Y875F799-L822 HydrophobicContact CD2-CD2 3.83Å; F799-L822 HydrophobicContact CE2-CD2 3.65Å; I801-L822 HydrophobicContact CG1-CD2 4.25Å; I801-L822 HydrophobicContact CG2-CD2 4.44Å; I801-L822 VanDerWaalsContact O-CB 3.23Å; I801-L822 WeakPolarHBondContact O-CB 3.46Å; I801-L822 PolarHBondContact O-N 2.79Å; L822-V825 HydrophobicContact CD1-CG2 4.17Å; L822-V825 HydrophobicContact CD2-CG2 3.57Å; L822-V825 HydrophobicContact CG-CG2 4.09Å; L822-W849 HydrophobicContact CB-CH2 4.27Å; L822-W849 HydrophobicContact CD2-CH2 4.1Å; L822-W849 HydrophobicContact CG-CH2 3.96Å; L822-W849 WeakPolarHBondContact O-CH2 3.41Å; L822-W849 VanDerWaalsContact O-CZ2 3.28Å; L822-W849 WeakPolarHBondContact O-CZ2 3.01Å; L822-I865 HydrophobicContact CD2-CG2 4.07Å; L822-L873 HydrophobicContact CD1-CB 3.97Å; L822-L873 HydrophobicContact CD1-CD2 4.39Å; L822-Y875 HydrophobicContact CB-CD1 4.12Å; L822-Y875 HydrophobicContact CB-CE1 3.74Å; L822-Y875 HydrophobicContact CD1-CD1 4.26Å; L822-Y875 HydrophobicContact CD1-CD2 4.04Å; L822-Y875 HydrophobicContact CD1-CE1 3.91Å; L822-Y875 HydrophobicContact CD1-CE2 3.67Å; L822-Y875 HydrophobicContact CD1-CG 4.32Å; L822-Y875 HydrophobicContact CG-CE1 4.41Å
823Y97.5Very high89.4Confident13 Ų1348.9 Ų48.95%0.05126%0.255CS..EExtended strand (participates in β ladder)trans-127.5-17.5175.675.3-87.1000113.9H560 T561 Y775 C841 R842 F874 E876H560-Y823 HydrophobicContact CB-CD2 4.11Å; H560-Y823 HydrophobicContact CB-CE2 4.41Å; H560-Y823 WeakPolarHBondContact O-CD2 3.31Å; T561-Y823 PolarHBondContact OG1-OH 3.43Å; Y775-Y823 AromaticContact CD1-CE1 3.69Å; Y775-Y823 HydrophobicContact CD1-CE1 3.69Å; Y775-Y823 AromaticContact CD1-CZ 3.9Å; Y775-Y823 HydrophobicContact CE1-CE1 4.26Å; Y823-C841 CarbonylContact O-C 2.94Å; Y823-C841 WeakPolarHBondContact O-CA 3.34Å; Y823-R842 PolarHBondContact O-N 2.97Å; Y823-F874 HydrophobicContact CD1-CB 4.25Å; Y823-F874 WeakPolarHBondContact CD1-O 3.42Å; Y823-F874 HydrophobicContact CE1-CB 3.68Å; Y823-F874 HydrophobicContact CE2-CB 4.15Å; Y823-F874 PolarHBondContact N-O 2.73Å; Y823-E876 HydrophobicContact CD1-CB 3.8Å; Y823-E876 HydrophobicContact CE1-CB 4.18Å
824S98.2Very high89.2Confident0 Ų049.6 Ų49.60%026%0.262CS..EExtended strand (participates in β ladder)trans-146146.3167.7-176.90000112.6S557 T839 F840 C841 F874S557-S824 WeakPolarHBondContact CB-OG 3.29Å; S557-S824 PolarHBondContact OG-OG 2.69Å; S824-T839 WeakPolarHBondContact OG-CG2 3.44Å; S824-F840 CarbonylContact C-O 3.6Å; S824-F840 WeakPolarHBondContact CA-O 3.43Å; S824-F840 PolarHBondContact OG-O 3.09Å; S824-F840 VanDerWaalsContact OG-O 3.09Å; S824-C841 PolarHBondContact OG-SG 2.74Å; S824-F874 PolarHBondContact N-O 3.28Å; S824-F874 PolarHBondContact O-N 3.26Å
825V98.6Very high89.7Confident0 Ų044.9 Ų44.90%025%0.245CC..EExtended strand (participates in β ladder)trans-126.3113.5169.6-179.50000107.7F799 L822 N827 T839 F840 I865 A870 L873F799-V825 HydrophobicContact CE2-CG2 4.05Å; F799-V825 HydrophobicContact CZ-CG1 4.47Å; F799-V825 HydrophobicContact CZ-CG2 4.29Å; L822-V825 HydrophobicContact CD1-CG2 4.17Å; L822-V825 HydrophobicContact CD2-CG2 3.57Å; L822-V825 HydrophobicContact CG-CG2 4.09Å; V825-N827 WeakPolarHBondContact CG1-OD1 3.44Å; V825-T839 CarbonylContact O-C 3.5Å; V825-T839 WeakPolarHBondContact O-CA 3.23Å; V825-F840 HydrophobicContact CB-CB 4.24Å; V825-F840 HydrophobicContact CB-CD2 4.27Å; V825-F840 PolarHBondContact N-O 2.85Å; V825-F840 PolarHBondContact O-N 2.71Å; V825-I865 HydrophobicContact CG2-CG2 4.07Å; V825-A870 HydrophobicContact CG1-CB 3.57Å; V825-L873 HydrophobicContact CG1-CD2 4.01Å; V825-L873 HydrophobicContact CG2-CD2 4.04Å
826L98.5Very high91Very high0 Ų041.3 Ų41.30%023%0.225CC..EExtended strand (participates in β ladder)trans-85.6115.9169-170.1153.3000107.9V554 S632 Y837 Y871 I872 F874V554-L826 HydrophobicContact CG2-CD1 3.74Å; S632-L826 WeakPolarHBondContact OG-CD2 3.48Å; L826-Y837 HydrophobicContact CD2-CD1 3.64Å; L826-Y837 HydrophobicContact CD2-CE1 4.09Å; L826-Y871 HydrophobicContact CD2-CD1 4.06Å; L826-Y871 WeakPolarHBondContact O-CA 3.47Å; L826-Y871 WeakPolarHBondContact O-CB 3.41Å; L826-Y871 PolarHBondContact O-N 2.8Å; L826-I872 HydrophobicContact CB-CB 4.11Å; L826-I872 HydrophobicContact CD2-CD1 4.48Å; L826-I872 HydrophobicContact CD2-CG1 4.42Å; L826-I872 PolarHBondContact N-O 3.4Å; L826-I872 PolarHBondContact O-N 3.4Å; L826-F874 HydrophobicContact CB-CE2 4.23Å
827N98Very high92.3Very high0 Ų035.3 Ų35.30%020%0.196CC..EExtended strand (participates in β ladder)trans-97150.4179.8-57.1-63.6000110.8V825 Y837 T838 F840 N867 N869 A870V825-N827 WeakPolarHBondContact CG1-OD1 3.44Å; N827-Y837 WeakPolarHBondContact O-CA 3.5Å; N827-Y837 WeakPolarHBondContact O-CD1 3.32Å; N827-T838 WeakPolarHBondContact CA-O 3.49Å; N827-T838 WeakPolarHBondContact CB-O 3.42Å; N827-T838 PolarHBondContact N-O 3.01Å; N827-T838 PolarHBondContact O-N 2.94Å; N827-F840 VanDerWaalsContact ND2-CD1 3.33Å; N827-F840 WeakPolarHBondContact ND2-CD1 3.48Å; N827-F840 WeakPolarHBondContact ND2-CD2 3.34Å; N827-F840 VanDerWaalsContact ND2-CE1 3.25Å; N827-F840 WeakPolarHBondContact ND2-CE1 3.26Å; N827-F840 WeakPolarHBondContact ND2-CE2 3.39Å; N827-F840 WeakPolarHBondContact ND2-CG 3.49Å; N827-F840 VanDerWaalsContact ND2-CZ 3.31Å; N827-F840 WeakPolarHBondContact ND2-CZ 3.32Å; N827-N867 PolarHBondContact OD1-ND2 3Å; N827-N867 PolarHBondContact OD1-OD1 3.47Å; N827-N869 CarbonylContact C-O 3.54Å; N827-N869 WeakPolarHBondContact CA-O 3.32Å; N827-N869 HydrophobicContact CB-CB 4.28Å; N827-A870 WeakPolarHBondContact OD1-CA 3.49Å; N827-A870 PolarHBondContact OD1-N 2.84Å
828H96.8Very high93.1Very high3 Ų334.5 Ų34.51%0.01419%0.191CC..EExtended strand (participates in β ladder)trans-131.5114.5170.2178-99.1000111.2F783 K792 T831 G835 H836 Y837 N869 Y871F783-H828 AromaticContact CZ-CE1 3.62Å; F783-H828 AromaticContact CZ-ND1 3.52Å; K792-H828 PolarHBondContact NZ-O 3.07Å; H828-T831 PolarHBondContact CE1-O 2.73Å; H828-T831 VanDerWaalsContact CE1-O 3.23Å; H828-T831 PolarHBondContact NE2-O 2.64Å; H828-G835 WeakPolarHBondContact NE2-CA 3.17Å; H828-H836 CarbonylContact C-O 3.58Å; H828-H836 WeakPolarHBondContact CA-O 3.3Å; H828-Y837 HydrophobicContact CB-CD1 3.75Å; H828-Y837 HydrophobicContact CB-CE1 3.63Å; H828-Y837 AromaticContact CD2-CD1 3.6Å; H828-Y837 AromaticContact CD2-CD2 4Å; H828-Y837 AromaticContact CD2-CE1 3.32Å; H828-Y837 WeakPolarHBondContact CD2-CE1 3.45Å; H828-Y837 AromaticContact CD2-CE2 3.74Å; H828-Y837 AromaticContact CD2-CG 3.96Å; H828-Y837 AromaticContact CD2-CZ 3.4Å; H828-Y837 VanDerWaalsContact CD2-CZ 3.4Å; H828-Y837 AromaticContact CG-CE1 3.69Å; H828-N869 PolarHBondContact N-O 2.75Å; H828-N869 WeakPolarHBondContact O-CB 3.3Å; H828-N869 PolarHBondContact O-OD1 3.1Å; H828-N869 VanDerWaalsContact O-OD1 3.08Å; H828-Y871 HydrophobicContact CB-CD1 4.35Å; H828-Y871 HydrophobicContact CB-CG 4.28Å
829R94.4Very high93.6Very high87 Ų8733.9 Ų33.933%0.32819%0.187SC..EExtended strand (participates in β ladder)trans-94.4150.2174.6-61.3173.9-178.9146.26.4109.5G835 H836 E851 D853 N869R829-G835 CarbonylContact O-C 3.6Å; R829-G835 WeakPolarHBondContact O-CA 3.3Å; R829-H836 PolarHBondContact N-O 3.17Å; R829-H836 PolarHBondContact O-N 2.62Å; R829-E851 IonicContact CZ-OE1 2.93Å; R829-E851 IonicContact NH1-OE1 3.71Å; R829-E851 PolarHBondContact NH1-OE1 3.35Å; R829-E851 IonicContact NH2-OE1 3.96Å; R829-E851 PolarHBondContact NH2-OE1 3.24Å; R829-E851 IonicContact NH2-OE2 2.66Å; R829-D853 IonicContact NH1-OD2 2.88Å; R829-N869 HydrophobicContact CG-CB 4.23Å
830G91.8Very high93.7Very high43 Ų4330.7 Ų30.744%0.44317%0.172SC..EExtended strand (participates in β ladder)trans79.6-156.8177.700000116.3K792K792-G830 VanDerWaalsContact CD-O 3.27Å; K792-G830 WeakPolarHBondContact CD-O 3.48Å
831T86.5Confident93.7Very high81 Ų8130.5 Ų30.550%0.49717%0.171SC..  trans-99.8175.6-174.3690000112.4H828 E833 S834 G835H828-T831 PolarHBondContact CE1-O 2.73Å; H828-T831 VanDerWaalsContact CE1-O 3.23Å; H828-T831 PolarHBondContact NE2-O 2.64Å; T831-E833 VanDerWaalsContact C-N 3.27Å; T831-E833 PolarHBondContact O-N 2.82Å; T831-S834 PolarHBondContact N-O 3.33Å; T831-S834 CarbonylContact O-C 3.6Å; T831-S834 PolarHBondContact OG1-N 3.2Å; T831-S834 VanDerWaalsContact OG1-N 3.15Å; T831-G835 VanDerWaalsContact O-CA 3.27Å; T831-G835 WeakPolarHBondContact O-CA 3.47Å; T831-G835 PolarHBondContact O-N 3.09Å; T831-G835 VanDerWaalsContact O-N 3.07Å
832M78.2Confident93.7Very high76 Ų7633.3 Ų33.337%0.37418%0.179SC..SBendtrans-69.4-22.6179.1-160.9-17277.300113.8F783 W790F783-M832 HydrophobicContact CD1-CB 3.98Å; F783-M832 HydrophobicContact CD1-CG 4.12Å; F783-M832 HydrophobicContact CE1-CB 3.84Å; F783-M832 HydrophobicContact CE1-CG 4.12Å; W790-M832 HydrophobicContact CB-CE 4.11Å; W790-M832 HydrophobicContact CB-SD 4.13Å; W790-M832 VanDerWaalsContact CD1-CE 3.42Å; W790-M832 HydrophobicContact CD2-CE 3.82Å; W790-M832 HydrophobicContact CD2-SD 3.61Å; W790-M832 HydrophobicContact CE3-SD 3.85Å; W790-M832 HydrophobicContact CG-CE 3.52Å; W790-M832 HydrophobicContact CG-SD 3.74Å; W790-M832 HydrophobicContact CZ3-SD 4.49Å
833E77.5Confident93.4Very high159 Ų15933.8 Ų33.874%0.74318%0.182SC*.SBendtrans-104.4-18.9-176.9-62173.7174.900112.9T831T831-E833 VanDerWaalsContact C-N 3.27Å; T831-E833 PolarHBondContact O-N 2.82Å
834S82.7Confident92.7Very high89 Ų8935.2 Ų35.262%0.62219%0.19SC*.SBendtrans-15163.3-177.1175.30000109.2T831T831-S834 PolarHBondContact N-O 3.33Å; T831-S834 CarbonylContact O-C 3.6Å; T831-S834 PolarHBondContact OG1-N 3.2Å; T831-S834 VanDerWaalsContact OG1-N 3.15Å
835G89.7Confident92Very high12 Ų1242.8 Ų42.812%0.12422%0.218CC..EExtended strand (participates in β ladder)trans-108.5-172.3174.100000113.1Q629 H828 R829 T831Q629-G835 PolarHBondContact NE2-O 2.83Å; Q629-G835 PolarHBondContact OE1-O 2.89Å; H828-G835 WeakPolarHBondContact NE2-CA 3.17Å; R829-G835 CarbonylContact O-C 3.6Å; R829-G835 WeakPolarHBondContact O-CA 3.3Å; T831-G835 VanDerWaalsContact O-CA 3.27Å; T831-G835 WeakPolarHBondContact O-CA 3.47Å; T831-G835 PolarHBondContact O-N 3.09Å; T831-G835 VanDerWaalsContact O-N 3.07Å
836H95.9Very high91.6Very high48 Ų4845.3 Ų45.322%0.22223%0.232CC..EExtended strand (participates in β ladder)trans-152141.5174.4-174.345.1000110.5C549 H828 R829 D853 D854C549-H836 VanDerWaalsContact CB-CE1 3.49Å; C549-H836 WeakPolarHBondContact CB-CE1 3.33Å; C549-H836 WeakPolarHBondContact CB-ND1 3.27Å; C549-H836 PolarHBondContact SG-ND1 3.33Å; H828-H836 CarbonylContact C-O 3.58Å; H828-H836 WeakPolarHBondContact CA-O 3.3Å; R829-H836 PolarHBondContact N-O 3.17Å; R829-H836 PolarHBondContact O-N 2.62Å; H836-D853 IonicContact CD2-OD1 3.19Å; H836-D853 IonicContact CE1-OD1 3.72Å; H836-D853 IonicContact NE2-OD1 3.02Å; H836-D853 PolarHBondContact NE2-OD1 3.19Å; H836-D853 IonicContact NE2-OD2 3.53Å; H836-D854 IonicContact CE1-OD2 3.19Å; H836-D854 PolarHBondContact CE1-OD2 3.07Å
837Y97.5Very high91.2Very high10 Ų1046.8 Ų46.84%0.03925%0.247CC..EExtended strand (participates in β ladder)trans-110.7128.1-178.7-67.2-82.9000110.7S553 S632 L826 N827 H828 Y871S553-Y837 VanDerWaalsContact OG-C 3.31Å; S553-Y837 PolarHBondContact OG-O 2.99Å; S632-Y837 PolarHBondContact N-OH 3.36Å; S632-Y837 WeakPolarHBondContact OG-CE1 3.35Å; L826-Y837 HydrophobicContact CD2-CD1 3.64Å; L826-Y837 HydrophobicContact CD2-CE1 4.09Å; N827-Y837 WeakPolarHBondContact O-CA 3.5Å; N827-Y837 WeakPolarHBondContact O-CD1 3.32Å; H828-Y837 HydrophobicContact CB-CD1 3.75Å; H828-Y837 HydrophobicContact CB-CE1 3.63Å; H828-Y837 AromaticContact CD2-CD1 3.6Å; H828-Y837 AromaticContact CD2-CD2 4Å; H828-Y837 AromaticContact CD2-CE1 3.32Å; H828-Y837 WeakPolarHBondContact CD2-CE1 3.45Å; H828-Y837 AromaticContact CD2-CE2 3.74Å; H828-Y837 AromaticContact CD2-CG 3.96Å; H828-Y837 AromaticContact CD2-CZ 3.4Å; H828-Y837 VanDerWaalsContact CD2-CZ 3.4Å; H828-Y837 AromaticContact CG-CE1 3.69Å; Y837-Y871 HydrophobicContact CE1-CD1 4.03Å; Y837-Y871 HydrophobicContact CE1-CE1 4.33Å
838T98Very high91Very high0 Ų052.3 Ų52.30%027%0.268CS..EExtended strand (participates in β ladder)trans-126.4156.4169770000109.2S553 N827 E851 D853S553-T838 PolarHBondContact OG-N 2.67Å; N827-T838 WeakPolarHBondContact CA-O 3.49Å; N827-T838 WeakPolarHBondContact CB-O 3.42Å; N827-T838 PolarHBondContact N-O 3.01Å; N827-T838 PolarHBondContact O-N 2.94Å; T838-E851 WeakPolarHBondContact CB-OE1 3.48Å; T838-E851 PolarHBondContact OG1-OE1 2.75Å; T838-D853 HydrophobicContact CG2-CB 3.92Å; T838-D853 VanDerWaalsContact CG2-CG 3.42Å; T838-D853 WeakPolarHBondContact CG2-OD2 3.23Å
839T98.2Very high91Very high0 Ų052.7 Ų52.70%027%0.269CS..EExtended strand (participates in β ladder)trans-126.7129.3-178.5-650000111.3S553 Q556 S557 S824 V825 C841 Y852S553-T839 WeakPolarHBondContact CA-OG1 3.31Å; S553-T839 WeakPolarHBondContact CB-OG1 3.41Å; S553-T839 PolarHBondContact O-OG1 2.72Å; S553-T839 PolarHBondContact OG-OG1 2.9Å; Q556-T839 HydrophobicContact CB-CG2 4.24Å; S557-T839 WeakPolarHBondContact OG-CG2 3.5Å; S824-T839 WeakPolarHBondContact OG-CG2 3.44Å; V825-T839 CarbonylContact O-C 3.5Å; V825-T839 WeakPolarHBondContact O-CA 3.23Å; T839-C841 VanDerWaalsContact CG2-SG 3.51Å; T839-Y852 PolarHBondContact N-O 2.73Å; T839-Y852 PolarHBondContact O-N 2.94Å
840F98.2Very high91.1Very high8 Ų849.3 Ų49.34%0.03526%0.257CS..EExtended strand (participates in β ladder)trans-90.4130.6166.6-53.1-23.5000108.6S824 V825 N827 W849 Y850 E851 L860 N867S824-F840 CarbonylContact C-O 3.6Å; S824-F840 WeakPolarHBondContact CA-O 3.43Å; S824-F840 PolarHBondContact OG-O 3.09Å; S824-F840 VanDerWaalsContact OG-O 3.09Å; V825-F840 HydrophobicContact CB-CB 4.24Å; V825-F840 HydrophobicContact CB-CD2 4.27Å; V825-F840 PolarHBondContact N-O 2.85Å; V825-F840 PolarHBondContact O-N 2.71Å; N827-F840 VanDerWaalsContact ND2-CD1 3.33Å; N827-F840 WeakPolarHBondContact ND2-CD1 3.48Å; N827-F840 WeakPolarHBondContact ND2-CD2 3.34Å; N827-F840 VanDerWaalsContact ND2-CE1 3.25Å; N827-F840 WeakPolarHBondContact ND2-CE1 3.26Å; N827-F840 WeakPolarHBondContact ND2-CE2 3.39Å; N827-F840 WeakPolarHBondContact ND2-CG 3.49Å; N827-F840 VanDerWaalsContact ND2-CZ 3.31Å; N827-F840 WeakPolarHBondContact ND2-CZ 3.32Å; F840-W849 HydrophobicContact CB-CE3 4.29Å; F840-W849 HydrophobicContact CB-CZ3 4.45Å; F840-Y850 CarbonylContact C-O 3.52Å; F840-Y850 VanDerWaalsContact CA-O 3.28Å; F840-Y850 WeakPolarHBondContact CA-O 3.38Å; F840-E851 HydrophobicContact CD1-CB 3.71Å; F840-E851 HydrophobicContact CD1-CG 3.92Å; F840-E851 HydrophobicContact CE1-CB 3.8Å; F840-E851 HydrophobicContact CE1-CG 3.79Å; F840-L860 HydrophobicContact CB-CD2 3.8Å; F840-L860 HydrophobicContact CD1-CD1 4.47Å; F840-L860 HydrophobicContact CD1-CD2 3.64Å; F840-L860 HydrophobicContact CD2-CD2 3.55Å; F840-L860 HydrophobicContact CE1-CD1 4.07Å; F840-L860 HydrophobicContact CE1-CD2 3.98Å; F840-L860 HydrophobicContact CE2-CD2 3.88Å; F840-L860 HydrophobicContact CG-CD2 3.4Å; F840-L860 HydrophobicContact CZ-CD1 4.13Å; F840-L860 HydrophobicContact CZ-CD2 4.08Å; F840-N867 WeakPolarHBondContact CE2-ND2 3.35Å
841C97.4Very high91.4Very high0 Ų048.7 Ų48.70%024%0.242CC..EExtended strand (participates in β ladder)trans-131.4147.4171.5-65.10000112.2Q556 H560 Y823 S824 T839 W849 Y850 Y852Q556-C841 PolarHBondContact O-SG 3.24Å; Q556-C841 VanDerWaalsContact O-SG 3.34Å; H560-C841 HydrophobicContact CB-CB 4.13Å; H560-C841 VanDerWaalsContact CD2-CB 3.47Å; H560-C841 WeakPolarHBondContact CD2-CB 3.44Å; H560-C841 VanDerWaalsContact CG-CB 3.48Å; Y823-C841 CarbonylContact O-C 2.94Å; Y823-C841 WeakPolarHBondContact O-CA 3.34Å; S824-C841 PolarHBondContact OG-SG 2.74Å; T839-C841 VanDerWaalsContact CG2-SG 3.51Å; C841-W849 VanDerWaalsContact C-CE3 3.46Å; C841-W849 WeakPolarHBondContact O-CA 3.23Å; C841-Y850 PolarHBondContact N-O 2.92Å; C841-Y850 PolarHBondContact O-N 2.69Å; C841-Y852 HydrophobicContact CB-CD2 4.42Å; C841-Y852 HydrophobicContact CB-CE2 3.91Å
842R95.7Very high91.9Very high69 Ų6945.1 Ų45.126%0.2622%0.22SC..EExtended strand (participates in β ladder)trans-84.6116.7167.6-163.4-178.7-167.2161.67.8109.2H560 E802 Y823 I844 G847 R848 W849H560-R842 PolarHBondContact CD2-O 2.94Å; E802-R842 IonicContact OE1-CZ 3.04Å; E802-R842 IonicContact OE1-NH1 3.98Å; E802-R842 IonicContact OE1-NH2 2.66Å; E802-R842 PolarHBondContact OE1-NH2 3.46Å; E802-R842 IonicContact OE2-CZ 2.89Å; E802-R842 IonicContact OE2-NH1 3.35Å; E802-R842 PolarHBondContact OE2-NH1 3.2Å; E802-R842 IonicContact OE2-NH2 2.79Å; E802-R842 PolarHBondContact OE2-NH2 3.04Å; E802-R842 VanDerWaalsContact OE2-NH2 3.13Å; Y823-R842 PolarHBondContact O-N 2.97Å; R842-I844 PolarHBondContact O-N 3.46Å; R842-G847 WeakPolarHBondContact CG-O 3.43Å; R842-G847 PolarHBondContact NE-O 2.82Å; R842-R848 CarbonylContact C-O 3.55Å; R842-R848 WeakPolarHBondContact CA-O 2.91Å; R842-W849 HydrophobicContact CB-CD2 3.95Å; R842-W849 HydrophobicContact CB-CE3 4.2Å; R842-W849 HydrophobicContact CB-CH2 4.06Å; R842-W849 HydrophobicContact CB-CZ2 3.81Å; R842-W849 HydrophobicContact CB-CZ3 4.25Å; R842-W849 HydrophobicContact CG-CD2 4.36Å; R842-W849 HydrophobicContact CG-CZ2 4.27Å
843N91.6Very high92.8Very high12 Ų1243.6 Ų43.66%0.06421%0.213CC..  trans-65.6130.3179.8-174-69.9000110.7T539 R845 D846 G847 R848 Y850T539-N843 WeakPolarHBondContact CG2-ND2 3.49Å; N843-R845 VanDerWaalsContact C-N 3.26Å; N843-R845 PolarHBondContact O-N 2.61Å; N843-R845 WeakPolarHBondContact OD1-CA 3.36Å; N843-R845 WeakPolarHBondContact OD1-CB 3.47Å; N843-R845 PolarHBondContact OD1-N 3.23Å; N843-D846 WeakPolarHBondContact CB-OD1 3.4Å; N843-D846 PolarHBondContact OD1-N 3.04Å; N843-G847 VanDerWaalsContact O-CA 3.28Å; N843-G847 WeakPolarHBondContact O-CA 3.24Å; N843-G847 PolarHBondContact O-N 3.2Å; N843-R848 PolarHBondContact N-O 3.16Å; N843-Y850 HydrophobicContact CB-CD2 3.97Å; N843-Y850 HydrophobicContact CB-CE2 3.83Å
844I84Confident93.7Very high43 Ų4337 Ų3722%0.22118%0.183CC..THydrogen-bonded Turntrans-63.3-30.2-175.9-67.4166.8000112.7R562 V565 R842R562-I844 HydrophobicContact CG-CD1 3.74Å; R562-I844 HydrophobicContact CG-CG1 3.82Å; R562-I844 HydrophobicContact CG-CG2 4.11Å; V565-I844 HydrophobicContact CG2-CD1 4.06Å; R842-I844 PolarHBondContact O-N 3.46Å
845R83Confident94.2Very high159 Ų15938.1 Ų38.160%0.618%0.178SC*.THydrogen-bonded Turntrans-89.2-37.1-170.1-61.4-178175.8175.7-0114.1N843N843-R845 VanDerWaalsContact C-N 3.26Å; N843-R845 PolarHBondContact O-N 2.61Å; N843-R845 WeakPolarHBondContact OD1-CA 3.36Å; N843-R845 WeakPolarHBondContact OD1-CB 3.47Å; N843-R845 PolarHBondContact OD1-N 3.23Å
846D90Very high94.4Very high52 Ų5242.4 Ų42.428%0.27820%0.199SC..THydrogen-bonded Turntrans-117.1-5.8-178.675.39000114.4N843 R848 Y850N843-D846 WeakPolarHBondContact CB-OD1 3.4Å; N843-D846 PolarHBondContact OD1-N 3.04Å; D846-R848 PolarHBondContact O-N 2.88Å; D846-R848 WeakPolarHBondContact OD1-CB 3.35Å; D846-R848 PolarHBondContact OD1-N 3.34Å; D846-R848 IonicContact OD1-NE 3.67Å; D846-R848 IonicContact OD2-CZ 2.67Å; D846-R848 IonicContact OD2-NE 3.48Å; D846-R848 PolarHBondContact OD2-NE 3.07Å; D846-R848 IonicContact OD2-NH2 3.87Å; D846-R848 PolarHBondContact OD2-NH2 3.35Å; D846-Y850 PolarHBondContact OD2-OH 3.32Å
847G89.8Confident94.4Very high32 Ų3242.3 Ų42.333%0.3320%0.201SC..  trans72.82.6176.300000115.7R842 N843R842-G847 WeakPolarHBondContact CG-O 3.43Å; R842-G847 PolarHBondContact NE-O 2.82Å; N843-G847 VanDerWaalsContact O-CA 3.28Å; N843-G847 WeakPolarHBondContact O-CA 3.24Å; N843-G847 PolarHBondContact O-N 3.2Å
848R94.7Very high94.3Very high115 Ų11544.5 Ų44.543%0.43422%0.218SC..  trans-84.2163.4179.4-61.5-173.6-66.9-177.8-5.2111.9R842 N843 D846 Y850 L859R842-R848 CarbonylContact C-O 3.55Å; R842-R848 WeakPolarHBondContact CA-O 2.91Å; N843-R848 PolarHBondContact N-O 3.16Å; D846-R848 PolarHBondContact O-N 2.88Å; D846-R848 WeakPolarHBondContact OD1-CB 3.35Å; D846-R848 PolarHBondContact OD1-N 3.34Å; D846-R848 IonicContact OD1-NE 3.67Å; D846-R848 IonicContact OD2-CZ 2.67Å; D846-R848 IonicContact OD2-NE 3.48Å; D846-R848 PolarHBondContact OD2-NE 3.07Å; D846-R848 IonicContact OD2-NH2 3.87Å; D846-R848 PolarHBondContact OD2-NH2 3.35Å; R848-Y850 HydrophobicContact CB-CE2 4.05Å; R848-Y850 PolarHBondContact NH2-OH 3.5Å; R848-Y850 VanDerWaalsContact NH2-OH 3.07Å; R848-L859 HydrophobicContact CB-CD1 4.16Å
849W96.7Very high94.2Very high11 Ų1149.5 Ų49.54%0.04224%0.244CC..EExtended strand (participates in β ladder)trans-100.3143.4179.8-72.487000111.9I801 L822 F840 C841 R842 L859 L860 I865I801-W849 HydrophobicContact CG2-CZ2 3.99Å; L822-W849 HydrophobicContact CB-CH2 4.27Å; L822-W849 HydrophobicContact CD2-CH2 4.1Å; L822-W849 HydrophobicContact CG-CH2 3.96Å; L822-W849 WeakPolarHBondContact O-CH2 3.41Å; L822-W849 VanDerWaalsContact O-CZ2 3.28Å; L822-W849 WeakPolarHBondContact O-CZ2 3.01Å; F840-W849 HydrophobicContact CB-CE3 4.29Å; F840-W849 HydrophobicContact CB-CZ3 4.45Å; C841-W849 VanDerWaalsContact C-CE3 3.46Å; C841-W849 WeakPolarHBondContact O-CA 3.23Å; R842-W849 HydrophobicContact CB-CD2 3.95Å; R842-W849 HydrophobicContact CB-CE3 4.2Å; R842-W849 HydrophobicContact CB-CH2 4.06Å; R842-W849 HydrophobicContact CB-CZ2 3.81Å; R842-W849 HydrophobicContact CB-CZ3 4.25Å; R842-W849 HydrophobicContact CG-CD2 4.36Å; R842-W849 HydrophobicContact CG-CZ2 4.27Å; W849-L859 WeakPolarHBondContact O-CD1 3.11Å; W849-L860 HydrophobicContact CB-CB 4.25Å; W849-L860 HydrophobicContact CB-CD2 4.47Å; W849-L860 PolarHBondContact O-N 2.96Å; W849-I865 HydrophobicContact CB-CD1 4.26Å; W849-I865 HydrophobicContact CD2-CD1 3.45Å; W849-I865 VanDerWaalsContact CD2-CD1 3.45Å; W849-I865 HydrophobicContact CD2-CG1 4.17Å; W849-I865 HydrophobicContact CE3-CD1 4.03Å; W849-I865 HydrophobicContact CE3-CG1 4.32Å; W849-I865 HydrophobicContact CG-CD1 3.55Å; W849-I865 HydrophobicContact CG-CG1 4.31Å; W849-I865 HydrophobicContact CZ2-CD1 4.17Å
850Y97Very high94.1Very high17 Ų1750.2 Ų50.27%0.06725%0.248CC..EExtended strand (participates in β ladder)trans-136.5138.5-179.3-69.5-94.3000110.1T539 F840 C841 N843 D846 R848 V857 S858 L859T539-Y850 HydrophobicContact CG2-CD1 4.42Å; T539-Y850 HydrophobicContact CG2-CD2 4.24Å; T539-Y850 HydrophobicContact CG2-CE1 4.43Å; T539-Y850 HydrophobicContact CG2-CE2 4.26Å; T539-Y850 HydrophobicContact CG2-CG 4.32Å; F840-Y850 CarbonylContact C-O 3.52Å; F840-Y850 VanDerWaalsContact CA-O 3.28Å; F840-Y850 WeakPolarHBondContact CA-O 3.38Å; C841-Y850 PolarHBondContact N-O 2.92Å; C841-Y850 PolarHBondContact O-N 2.69Å; N843-Y850 HydrophobicContact CB-CD2 3.97Å; N843-Y850 HydrophobicContact CB-CE2 3.83Å; D846-Y850 PolarHBondContact OD2-OH 3.32Å; R848-Y850 HydrophobicContact CB-CE2 4.05Å; R848-Y850 PolarHBondContact NH2-OH 3.5Å; R848-Y850 VanDerWaalsContact NH2-OH 3.07Å; Y850-V857 HydrophobicContact CD1-CG1 4.03Å; Y850-V857 HydrophobicContact CG-CG1 4.47Å; Y850-S858 CarbonylContact C-O 3.57Å; Y850-S858 WeakPolarHBondContact CA-O 3.28Å; Y850-S858 WeakPolarHBondContact CB-O 3.35Å; Y850-S858 WeakPolarHBondContact CD1-O 3.45Å; Y850-L859 HydrophobicContact CD1-CD1 4.38Å; Y850-L859 HydrophobicContact CE1-CB 4.45Å; Y850-L859 HydrophobicContact CE1-CD1 3.93Å; Y850-L859 HydrophobicContact CE2-CD1 4.28Å
851E97.5Very high93.9Very high29 Ų2953.7 Ų53.714%0.13627%0.267CS..EExtended strand (participates in β ladder)trans-88.8134.1164.3172.1171-138.100109.5R829 T838 F840 D853 V857 S858 L860R829-E851 IonicContact CZ-OE1 2.93Å; R829-E851 IonicContact NH1-OE1 3.71Å; R829-E851 PolarHBondContact NH1-OE1 3.35Å; R829-E851 IonicContact NH2-OE1 3.96Å; R829-E851 PolarHBondContact NH2-OE1 3.24Å; R829-E851 IonicContact NH2-OE2 2.66Å; T838-E851 WeakPolarHBondContact CB-OE1 3.48Å; T838-E851 PolarHBondContact OG1-OE1 2.75Å; F840-E851 HydrophobicContact CD1-CB 3.71Å; F840-E851 HydrophobicContact CD1-CG 3.92Å; F840-E851 HydrophobicContact CE1-CB 3.8Å; F840-E851 HydrophobicContact CE1-CG 3.79Å; E851-D853 HydrophobicContact CG-CB 4.45Å; E851-V857 VanDerWaalsContact O-CA 3.29Å; E851-V857 WeakPolarHBondContact O-CA 3.46Å; E851-S858 PolarHBondContact N-O 2.83Å; E851-S858 PolarHBondContact O-N 2.77Å; E851-L860 HydrophobicContact CB-CD1 4.39Å
852Y97.2Very high93.6Very high7 Ų758.2 Ų58.23%0.02729%0.286CS..EExtended strand (participates in β ladder)trans-110.8105.6171-63.7-100000107.9T539 N540 Q556 H560 T839 C841 V857T539-Y852 VanDerWaalsContact CB-OH 3.31Å; T539-Y852 WeakPolarHBondContact CB-OH 3.33Å; T539-Y852 VanDerWaalsContact CG2-OH 3.3Å; T539-Y852 WeakPolarHBondContact CG2-OH 3.42Å; N540-Y852 WeakPolarHBondContact O-CE1 3.3Å; Q556-Y852 HydrophobicContact CB-CG 4.44Å; Q556-Y852 VanDerWaalsContact CD-CD1 3.48Å; Q556-Y852 HydrophobicContact CG-CD1 4.08Å; Q556-Y852 HydrophobicContact CG-CG 4.1Å; Q556-Y852 VanDerWaalsContact NE2-CD1 3.32Å; H560-Y852 AromaticContact CE1-CE2 3.79Å; H560-Y852 AromaticContact CE1-CZ 3.54Å; H560-Y852 PolarHBondContact CE1-OH 3.39Å; H560-Y852 AromaticContact NE2-CZ 3.8Å; H560-Y852 PolarHBondContact NE2-OH 2.69Å; T839-Y852 PolarHBondContact N-O 2.73Å; T839-Y852 PolarHBondContact O-N 2.94Å; C841-Y852 HydrophobicContact CB-CD2 4.42Å; C841-Y852 HydrophobicContact CB-CE2 3.91Å; Y852-V857 HydrophobicContact CD1-CB 4.37Å; Y852-V857 HydrophobicContact CD1-CG1 4.01Å; Y852-V857 HydrophobicContact CD1-CG2 3.44Å; Y852-V857 VanDerWaalsContact CD1-CG2 3.44Å; Y852-V857 HydrophobicContact CE1-CG1 3.86Å; Y852-V857 HydrophobicContact CE1-CG2 3.75Å; Y852-V857 HydrophobicContact CG-CG1 4.41Å; Y852-V857 HydrophobicContact CG-CG2 4.27Å
853D97Very high93.5Very high44 Ų4461.6 Ų61.624%0.23531%0.31CS..EExtended strand (participates in β ladder)trans-112.186.5176.5-165.5-20.4000108.6R829 H836 T838 E851 E855 N856R829-D853 IonicContact NH1-OD2 2.88Å; H836-D853 IonicContact CD2-OD1 3.19Å; H836-D853 IonicContact CE1-OD1 3.72Å; H836-D853 IonicContact NE2-OD1 3.02Å; H836-D853 PolarHBondContact NE2-OD1 3.19Å; H836-D853 IonicContact NE2-OD2 3.53Å; T838-D853 HydrophobicContact CG2-CB 3.92Å; T838-D853 VanDerWaalsContact CG2-CG 3.42Å; T838-D853 WeakPolarHBondContact CG2-OD2 3.23Å; E851-D853 HydrophobicContact CG-CB 4.45Å; D853-E855 PolarHBondContact O-N 2.76Å; D853-E855 VanDerWaalsContact O-N 3.15Å; D853-N856 PolarHBondContact N-O 3.3Å; D853-N856 WeakPolarHBondContact O-CB 3.45Å; D853-N856 PolarHBondContact O-N 3.08Å; D853-N856 PolarHBondContact O-ND2 3.26Å
854D95.8Very high93.7Very high19 Ų1966.2 Ų66.210%0.10233%0.331CS..THydrogen-bonded Turntrans46.6-112.6-164.2-72.5-48.2000112.2G541 L542 N544 C549 N552 H836 N856G541-D854 CarbonylContact C-O 3.51Å; G541-D854 WeakPolarHBondContact CA-O 3.35Å; L542-D854 PolarHBondContact N-O 3.01Å; L542-D854 CarbonylContact O-C 3.35Å; L542-D854 WeakPolarHBondContact O-CA 3.32Å; L542-D854 WeakPolarHBondContact O-CB 3.29Å; N544-D854 HydrophobicContact CB-CB 4.23Å; N544-D854 WeakPolarHBondContact CB-OD2 3.44Å; N544-D854 PolarHBondContact ND2-OD2 2.92Å; C549-D854 WeakPolarHBondContact CA-OD1 3.32Å; N552-D854 PolarHBondContact ND2-OD1 2.85Å; H836-D854 IonicContact CE1-OD2 3.19Å; H836-D854 PolarHBondContact CE1-OD2 3.07Å; D854-N856 VanDerWaalsContact C-N 3.31Å
855E93.6Very high94.3Very high114 Ų11464.2 Ų64.253%0.53332%0.32SS..THydrogen-bonded Turntrans-75.8-16.5-178.758.8-170.1-165.200113.8L542 R543 D853L542-E855 PolarHBondContact O-N 3.49Å; R543-E855 HydrophobicContact CB-CB 4.46Å; R543-E855 WeakPolarHBondContact CG-OE2 3.1Å; D853-E855 PolarHBondContact O-N 2.76Å; D853-E855 VanDerWaalsContact O-N 3.15Å
856N94.5Very high94.9Very high102 Ų10259.9 Ų59.955%0.54531%0.307SS..EExtended strand (participates in β ladder)trans-87.2136.9-178.7-55.4-81000110.4D853 D854D853-N856 PolarHBondContact N-O 3.3Å; D853-N856 WeakPolarHBondContact O-CB 3.45Å; D853-N856 PolarHBondContact O-N 3.08Å; D853-N856 PolarHBondContact O-ND2 3.26Å; D854-N856 VanDerWaalsContact C-N 3.31Å
857V95.1Very high95.1Very high46 Ų4658.6 Ų58.628%0.27930%0.3SS..EExtended strand (participates in β ladder)trans-131.4124.3173-171.30000109.9Y850 E851 Y852Y850-V857 HydrophobicContact CD1-CG1 4.03Å; Y850-V857 HydrophobicContact CG-CG1 4.47Å; E851-V857 VanDerWaalsContact O-CA 3.29Å; E851-V857 WeakPolarHBondContact O-CA 3.46Å; Y852-V857 HydrophobicContact CD1-CB 4.37Å; Y852-V857 HydrophobicContact CD1-CG1 4.01Å; Y852-V857 HydrophobicContact CD1-CG2 3.44Å; Y852-V857 VanDerWaalsContact CD1-CG2 3.44Å; Y852-V857 HydrophobicContact CE1-CG1 3.86Å; Y852-V857 HydrophobicContact CE1-CG2 3.75Å; Y852-V857 HydrophobicContact CG-CG1 4.41Å; Y852-V857 HydrophobicContact CG-CG2 4.27Å
858S95.3Very high95.2Very high55 Ų5559.8 Ų59.839%0.38530%0.299SS..EExtended strand (participates in β ladder)trans-120.7151.4-179.750.40000110.5Y850 E851Y850-S858 CarbonylContact C-O 3.57Å; Y850-S858 WeakPolarHBondContact CA-O 3.28Å; Y850-S858 WeakPolarHBondContact CB-O 3.35Å; Y850-S858 WeakPolarHBondContact CD1-O 3.45Å; E851-S858 PolarHBondContact N-O 2.83Å; E851-S858 PolarHBondContact O-N 2.77Å
859L95.9Very high95.3Very high105 Ų10555.7 Ų55.755%0.5529%0.286SS..EExtended strand (participates in β ladder)trans-72.9130.8167.1-174.774.7000108.2R848 W849 Y850R848-L859 HydrophobicContact CB-CD1 4.16Å; W849-L859 WeakPolarHBondContact O-CD1 3.11Å; Y850-L859 HydrophobicContact CD1-CD1 4.38Å; Y850-L859 HydrophobicContact CE1-CB 4.45Å; Y850-L859 HydrophobicContact CE1-CD1 3.93Å; Y850-L859 HydrophobicContact CE2-CD1 4.28Å
860L95.7Very high95.3Very high15 Ų1555.1 Ų55.18%0.07928%0.284CS..  trans-108.1135.9-177-174.375000110F840 W849 E851 E864 I865F840-L860 HydrophobicContact CB-CD2 3.8Å; F840-L860 HydrophobicContact CD1-CD1 4.47Å; F840-L860 HydrophobicContact CD1-CD2 3.64Å; F840-L860 HydrophobicContact CD2-CD2 3.55Å; F840-L860 HydrophobicContact CE1-CD1 4.07Å; F840-L860 HydrophobicContact CE1-CD2 3.98Å; F840-L860 HydrophobicContact CE2-CD2 3.88Å; F840-L860 HydrophobicContact CG-CD2 3.4Å; F840-L860 HydrophobicContact CZ-CD1 4.13Å; F840-L860 HydrophobicContact CZ-CD2 4.08Å; W849-L860 HydrophobicContact CB-CB 4.25Å; W849-L860 HydrophobicContact CB-CD2 4.47Å; W849-L860 PolarHBondContact O-N 2.96Å; E851-L860 HydrophobicContact CB-CD1 4.39Å; L860-E864 HydrophobicContact CD1-CB 3.7Å; L860-E864 HydrophobicContact CG-CB 4.16Å; L860-I865 HydrophobicContact CD2-CG1 3.85Å
861D94.9Very high95.3Very high81 Ų8154.4 Ų54.443%0.43328%0.281SS..  trans-75.8147.6173.2-174.2-93.9000111.4N863 E864D861-N863 PolarHBondContact O-N 2.83Å; D861-N863 VanDerWaalsContact O-N 3.13Å; D861-N863 VanDerWaalsContact OD1-CB 3.3Å; D861-N863 WeakPolarHBondContact OD1-CB 3.49Å; D861-N863 PolarHBondContact OD1-N 3.38Å; D861-N863 PolarHBondContact OD1-ND2 3.49Å; D861-E864 HydrophobicContact CB-CG 4.2Å; D861-E864 WeakPolarHBondContact CB-OE2 3.38Å; D861-E864 PolarHBondContact N-OE2 3.32Å; D861-E864 PolarHBondContact O-N 3.1Å
862K91.5Very high95.4Very high96 Ų9653 Ų5342%0.41727%0.274SS..THydrogen-bonded Turntrans-61.1-25.6-177.5-175.9169.1173.6173.30113.1E802 E864 I865E802-K862 VanDerWaalsContact CG-NZ 3.29Å; E802-K862 IonicContact OE1-NZ 2.78Å; E802-K862 PolarHBondContact OE1-NZ 3.27Å; K862-E864 VanDerWaalsContact C-N 3.34Å; K862-I865 HydrophobicContact CB-CD1 4.41Å; K862-I865 HydrophobicContact CG-CD1 4.11Å
863N93.7Very high95.5Very high140 Ų14052.7 Ų52.775%0.74927%0.273SS*.THydrogen-bonded Turntrans-76-20.4177.2-60.1-73000113D861D861-N863 PolarHBondContact O-N 2.83Å; D861-N863 VanDerWaalsContact O-N 3.13Å; D861-N863 VanDerWaalsContact OD1-CB 3.3Å; D861-N863 WeakPolarHBondContact OD1-CB 3.49Å; D861-N863 PolarHBondContact OD1-N 3.38Å; D861-N863 PolarHBondContact OD1-ND2 3.49Å
864E95.7Very high95.5Very high109 Ų10950.6 Ų50.651%0.50926%0.262SS..THydrogen-bonded Turntrans-85.7-16.8-176.9-61.1176.8121.400113.1L860 D861 K862 Q866L860-E864 HydrophobicContact CD1-CB 3.7Å; L860-E864 HydrophobicContact CG-CB 4.16Å; D861-E864 HydrophobicContact CB-CG 4.2Å; D861-E864 WeakPolarHBondContact CB-OE2 3.38Å; D861-E864 PolarHBondContact N-OE2 3.32Å; D861-E864 PolarHBondContact O-N 3.1Å; K862-E864 VanDerWaalsContact C-N 3.34Å; E864-Q866 VanDerWaalsContact C-N 3.26Å; E864-Q866 PolarHBondContact O-N 3.12Å
865I96.3Very high95.7Very high0 Ų049.7 Ų49.70%026%0.257CS..SBendtrans-56.7-41179.7-60.2168.3000111.1F799 I801 L822 V825 W849 L860 K862 N867F799-I865 HydrophobicContact CE2-CG2 4.21Å; I801-I865 HydrophobicContact CD1-CB 4.04Å; I801-I865 HydrophobicContact CD1-CD1 4.18Å; I801-I865 HydrophobicContact CD1-CG2 4.09Å; I801-I865 HydrophobicContact CG1-CG2 4.35Å; I801-I865 HydrophobicContact CG2-CD1 4.3Å; L822-I865 HydrophobicContact CD2-CG2 4.07Å; V825-I865 HydrophobicContact CG2-CG2 4.07Å; W849-I865 HydrophobicContact CB-CD1 4.26Å; W849-I865 HydrophobicContact CD2-CD1 3.45Å; W849-I865 VanDerWaalsContact CD2-CD1 3.45Å; W849-I865 HydrophobicContact CD2-CG1 4.17Å; W849-I865 HydrophobicContact CE3-CD1 4.03Å; W849-I865 HydrophobicContact CE3-CG1 4.32Å; W849-I865 HydrophobicContact CG-CD1 3.55Å; W849-I865 HydrophobicContact CG-CG1 4.31Å; W849-I865 HydrophobicContact CZ2-CD1 4.17Å; L860-I865 HydrophobicContact CD2-CG1 3.85Å; K862-I865 HydrophobicContact CB-CD1 4.41Å; K862-I865 HydrophobicContact CG-CD1 4.11Å; I865-N867 PolarHBondContact O-N 3.45Å; I865-N867 PolarHBondContact O-ND2 3.23Å
866Q95.2Very high95.8Very high69 Ų6945.6 Ų45.632%0.32224%0.238SC..SBendtrans-87.4100.1-173-168.3155.3-35.800111.4D798 F799 E864D798-Q866 VanDerWaalsContact CG-NE2 3.31Å; D798-Q866 PolarHBondContact OD1-NE2 3.04Å; F799-Q866 HydrophobicContact CE1-CG 4.5Å; F799-Q866 PolarHBondContact O-OE1 2.83Å; E864-Q866 VanDerWaalsContact C-N 3.26Å; E864-Q866 PolarHBondContact O-N 3.12Å
867N94Very high95.9Very high25 Ų2542.8 Ų42.813%0.13422%0.222CC..  trans-142.8162.8-168.878.690.9000112.9N827 F840 I865 N869 A870N827-N867 PolarHBondContact OD1-ND2 3Å; N827-N867 PolarHBondContact OD1-OD1 3.47Å; F840-N867 WeakPolarHBondContact CE2-ND2 3.35Å; I865-N867 PolarHBondContact O-N 3.45Å; I865-N867 PolarHBondContact O-ND2 3.23Å; N867-N869 VanDerWaalsContact C-N 3.31Å; N867-N869 PolarHBondContact O-N 3.16Å; N867-N869 VanDerWaalsContact OD1-CA 3.27Å; N867-N869 WeakPolarHBondContact OD1-CA 3.48Å; N867-N869 VanDerWaalsContact OD1-CB 3.25Å; N867-N869 WeakPolarHBondContact OD1-CB 3.48Å; N867-N869 PolarHBondContact OD1-N 2.9Å; N867-A870 WeakPolarHBondContact O-CB 3.48Å; N867-A870 PolarHBondContact OD1-N 2.97Å; N867-A870 VanDerWaalsContact OD1-N 3.09Å
868D93.1Very high95.7Very high57 Ų5743.2 Ų43.231%0.30522%0.223SC..THydrogen-bonded Turntrans-78.3-9.4-177.271.7-46000114.5R782R782-D868 PolarHBondContact NE-O 3.31Å; R782-D868 PolarHBondContact NH1-O 3.03Å; R782-D868 PolarHBondContact NH2-O 3.49Å
869N95.5Very high94.9Very high28 Ų2844.9 Ų44.915%0.1523%0.233CC..THydrogen-bonded Turntrans-93.3-14176.8-61.6-77.8000112.8K792 N827 H828 R829 N867 Y871K792-N869 PolarHBondContact NZ-OD1 2.75Å; N827-N869 CarbonylContact C-O 3.54Å; N827-N869 WeakPolarHBondContact CA-O 3.32Å; N827-N869 HydrophobicContact CB-CB 4.28Å; H828-N869 PolarHBondContact N-O 2.75Å; H828-N869 WeakPolarHBondContact O-CB 3.3Å; H828-N869 PolarHBondContact O-OD1 3.1Å; H828-N869 VanDerWaalsContact O-OD1 3.08Å; R829-N869 HydrophobicContact CG-CB 4.23Å; N867-N869 VanDerWaalsContact C-N 3.31Å; N867-N869 PolarHBondContact O-N 3.16Å; N867-N869 VanDerWaalsContact OD1-CA 3.27Å; N867-N869 WeakPolarHBondContact OD1-CA 3.48Å; N867-N869 VanDerWaalsContact OD1-CB 3.25Å; N867-N869 WeakPolarHBondContact OD1-CB 3.48Å; N867-N869 PolarHBondContact OD1-N 2.9Å; N869-Y871 PolarHBondContact O-N 2.95Å
870A97.4Very high93.3Very high0 Ų045.5 Ų45.50%023%0.228CC..EExtended strand (participates in β ladder)trans-50.7120.4173.500000110.9R782 F799 V825 N827 N867 L873R782-A870 VanDerWaalsContact CZ-O 3.27Å; R782-A870 PolarHBondContact NE-O 2.91Å; R782-A870 PolarHBondContact NH2-O 3.43Å; F799-A870 HydrophobicContact CE1-CB 3.57Å; F799-A870 HydrophobicContact CZ-CB 3.85Å; V825-A870 HydrophobicContact CG1-CB 3.57Å; N827-A870 WeakPolarHBondContact OD1-CA 3.49Å; N827-A870 PolarHBondContact OD1-N 2.84Å; N867-A870 WeakPolarHBondContact O-CB 3.48Å; N867-A870 PolarHBondContact OD1-N 2.97Å; N867-A870 VanDerWaalsContact OD1-N 3.09Å; A870-L873 HydrophobicContact CB-CD2 4.3Å
871Y97.5Very high91Very high2 Ų251.7 Ų51.71%0.00827%0.266CS..EExtended strand (participates in β ladder)trans-122.8-42.8-167.1178.2-125.6000112.7D631 S632 L633 H779 L780 R782 F783 L826 H828 Y837 N869D631-Y871 WeakPolarHBondContact OD1-CE1 3.42Å; D631-Y871 PolarHBondContact OD1-OH 2.85Å; D631-Y871 PolarHBondContact OD2-OH 2.85Å; S632-Y871 WeakPolarHBondContact OG-CE1 3.42Å; L633-Y871 HydrophobicContact CB-CE1 4.47Å; H779-Y871 AromaticContact CD2-CE2 3.31Å; H779-Y871 WeakPolarHBondContact CD2-CE2 3.27Å; H779-Y871 AromaticContact CD2-CZ 3.5Å; H779-Y871 VanDerWaalsContact CD2-CZ 3.5Å; H779-Y871 PolarHBondContact CD2-OH 3.05Å; H779-Y871 AromaticContact NE2-CE2 3.26Å; H779-Y871 VanDerWaalsContact NE2-CE2 3.26Å; H779-Y871 WeakPolarHBondContact NE2-CE2 3.24Å; H779-Y871 AromaticContact NE2-CZ 3.46Å; H779-Y871 PolarHBondContact NE2-OH 3.34Å; L780-Y871 PolarHBondContact N-O 2.76Å; L780-Y871 WeakPolarHBondContact O-CD2 3.32Å; L780-Y871 WeakPolarHBondContact O-CE2 3.16Å; R782-Y871 HydrophobicContact CB-CD2 4.34Å; R782-Y871 HydrophobicContact CB-CE2 4.5Å; R782-Y871 HydrophobicContact CG-CD2 4.26Å; F783-Y871 HydrophobicContact CD2-CE2 4.09Å; F783-Y871 HydrophobicContact CE2-CE1 4.35Å; F783-Y871 AromaticContact CE2-CE2 3.96Å; F783-Y871 HydrophobicContact CE2-CE2 3.96Å; F783-Y871 AromaticContact CE2-CZ 3.84Å; L826-Y871 HydrophobicContact CD2-CD1 4.06Å; L826-Y871 WeakPolarHBondContact O-CA 3.47Å; L826-Y871 WeakPolarHBondContact O-CB 3.41Å; L826-Y871 PolarHBondContact O-N 2.8Å; H828-Y871 HydrophobicContact CB-CD1 4.35Å; H828-Y871 HydrophobicContact CB-CG 4.28Å; Y837-Y871 HydrophobicContact CE1-CD1 4.03Å; Y837-Y871 HydrophobicContact CE1-CE1 4.33Å; N869-Y871 PolarHBondContact O-N 2.95Å
872I98.6Very high88.3Confident0 Ų051.6 Ų51.60%028%0.283CS..EExtended strand (participates in β ladder)trans-127.5126.3170.1-45.4178.3000109.1L633 L636 I777 I778 H779 L826 F874L633-I872 HydrophobicContact CB-CD1 4.01Å; L633-I872 HydrophobicContact CD1-CD1 4.13Å; L636-I872 HydrophobicContact CD2-CD1 3.95Å; L636-I872 HydrophobicContact CD2-CG2 4.23Å; I777-I872 HydrophobicContact CG2-CG2 3.45Å; I777-I872 VanDerWaalsContact CG2-CG2 3.45Å; I778-I872 CarbonylContact O-C 3.59Å; I778-I872 WeakPolarHBondContact O-CA 3.38Å; H779-I872 HydrophobicContact CB-CG1 4.45Å; L826-I872 HydrophobicContact CB-CB 4.11Å; L826-I872 HydrophobicContact CD2-CD1 4.48Å; L826-I872 HydrophobicContact CD2-CG1 4.42Å; L826-I872 PolarHBondContact N-O 3.4Å; L826-I872 PolarHBondContact O-N 3.4Å; I872-F874 HydrophobicContact CB-CE2 4.05Å; I872-F874 HydrophobicContact CG2-CD2 4.28Å; I872-F874 HydrophobicContact CG2-CE2 3.71Å; I872-F874 HydrophobicContact CG2-CZ 4.08Å
873L98.8Very high85.5Confident0 Ų052 Ų520%029%0.294CS..EExtended strand (participates in β ladder)trans-102.7132.9178-51.5177.5000109.3L733 I778 F799 L822 V825 A870 Y875L733-L873 HydrophobicContact CD1-CD1 4.05Å; L733-L873 HydrophobicContact CD2-CD1 4.01Å; I778-L873 HydrophobicContact CB-CB 4.37Å; I778-L873 PolarHBondContact N-O 3.25Å; I778-L873 PolarHBondContact O-N 2.74Å; F799-L873 HydrophobicContact CB-CD1 3.74Å; F799-L873 HydrophobicContact CD1-CD1 4.03Å; F799-L873 HydrophobicContact CD1-CD2 4.07Å; F799-L873 HydrophobicContact CD2-CD1 4.31Å; F799-L873 HydrophobicContact CD2-CD2 4.09Å; F799-L873 HydrophobicContact CE1-CD2 4.01Å; F799-L873 HydrophobicContact CE2-CD2 4.03Å; F799-L873 HydrophobicContact CG-CD1 3.78Å; F799-L873 HydrophobicContact CG-CD2 4.12Å; F799-L873 HydrophobicContact CZ-CD2 3.98Å; L822-L873 HydrophobicContact CD1-CB 3.97Å; L822-L873 HydrophobicContact CD1-CD2 4.39Å; V825-L873 HydrophobicContact CG1-CD2 4.01Å; V825-L873 HydrophobicContact CG2-CD2 4.04Å; A870-L873 HydrophobicContact CB-CD2 4.3Å; L873-Y875 HydrophobicContact CB-CD2 4.13Å; L873-Y875 HydrophobicContact CB-CE2 3.76Å; L873-Y875 HydrophobicContact CD1-CE2 4.05Å
874F98.8Very high82.4Confident0 Ų050.7 Ų50.70%028%0.282CS..EExtended strand (participates in β ladder)trans-115.6118177.4-65.3-105.9000109.9S557 L558 L636 I777 Y823 S824 L826 I872S557-F874 VanDerWaalsContact CB-CE2 3.49Å; S557-F874 VanDerWaalsContact OG-CE2 3.3Å; S557-F874 WeakPolarHBondContact OG-CE2 3.31Å; L558-F874 HydrophobicContact CD2-CE1 4.3Å; L636-F874 HydrophobicContact CD1-CE1 4.11Å; L636-F874 HydrophobicContact CD1-CZ 4.06Å; L636-F874 HydrophobicContact CD2-CE1 4.18Å; L636-F874 HydrophobicContact CD2-CZ 3.72Å; I777-F874 HydrophobicContact CD1-CD1 4.2Å; I777-F874 HydrophobicContact CD1-CE1 3.85Å; I777-F874 HydrophobicContact CG1-CD1 3.9Å; I777-F874 HydrophobicContact CG1-CE1 4.01Å; I777-F874 HydrophobicContact CG2-CD1 4.41Å; I777-F874 HydrophobicContact CG2-CE1 4.17Å; I777-F874 HydrophobicContact CG2-CZ 4.38Å; Y823-F874 HydrophobicContact CD1-CB 4.25Å; Y823-F874 WeakPolarHBondContact CD1-O 3.42Å; Y823-F874 HydrophobicContact CE1-CB 3.68Å; Y823-F874 HydrophobicContact CE2-CB 4.15Å; Y823-F874 PolarHBondContact N-O 2.73Å; S824-F874 PolarHBondContact N-O 3.28Å; S824-F874 PolarHBondContact O-N 3.26Å; L826-F874 HydrophobicContact CB-CE2 4.23Å; I872-F874 HydrophobicContact CB-CE2 4.05Å; I872-F874 HydrophobicContact CG2-CD2 4.28Å; I872-F874 HydrophobicContact CG2-CE2 3.71Å; I872-F874 HydrophobicContact CG2-CZ 4.08Å
875Y98.5Very high79.2Confident0 Ų055.7 Ų55.70%030%0.302CS..EExtended strand (participates in β ladder)trans-114.7137.9-175.3-82.6-79.7000111.1L733 Y775 L776 I778 P800 L804 A821 L822 L873L733-Y875 HydrophobicContact CD2-CE2 4.07Å; Y775-Y875 CarbonylContact C-O 3.57Å; Y775-Y875 VanDerWaalsContact CA-O 3.26Å; Y775-Y875 WeakPolarHBondContact CA-O 3.2Å; L776-Y875 PolarHBondContact N-O 2.9Å; L776-Y875 WeakPolarHBondContact O-CB 3.16Å; L776-Y875 PolarHBondContact O-N 2.94Å; I778-Y875 HydrophobicContact CD1-CD2 3.99Å; I778-Y875 HydrophobicContact CD1-CE2 4.06Å; I778-Y875 HydrophobicContact CG1-CD2 4.44Å; P800-Y875 VanDerWaalsContact O-CE1 3.26Å; P800-Y875 WeakPolarHBondContact O-CE1 3.47Å; P800-Y875 PolarHBondContact O-OH 3.37Å; L804-Y875 HydrophobicContact CB-CD1 4.23Å; L804-Y875 HydrophobicContact CB-CE1 3.74Å; L804-Y875 HydrophobicContact CD2-CD1 4.13Å; L804-Y875 HydrophobicContact CD2-CD2 4.07Å; L804-Y875 HydrophobicContact CD2-CE1 3.85Å; L804-Y875 HydrophobicContact CD2-CE2 3.77Å; L804-Y875 HydrophobicContact CD2-CG 4.24Å; L804-Y875 HydrophobicContact CG-CE1 4.46Å; A821-Y875 CarbonylContact O-C 3.55Å; A821-Y875 WeakPolarHBondContact O-CA 3.36Å; L822-Y875 HydrophobicContact CB-CD1 4.12Å; L822-Y875 HydrophobicContact CB-CE1 3.74Å; L822-Y875 HydrophobicContact CD1-CD1 4.26Å; L822-Y875 HydrophobicContact CD1-CD2 4.04Å; L822-Y875 HydrophobicContact CD1-CE1 3.91Å; L822-Y875 HydrophobicContact CD1-CE2 3.67Å; L822-Y875 HydrophobicContact CD1-CG 4.32Å; L822-Y875 HydrophobicContact CG-CE1 4.41Å; L873-Y875 HydrophobicContact CB-CD2 4.13Å; L873-Y875 HydrophobicContact CB-CE2 3.76Å; L873-Y875 HydrophobicContact CD1-CE2 4.05Å
876E97.1Very high76Confident28 Ų2863.6 Ų63.613%0.13134%0.339CS..EExtended strand (participates in β ladder)trans-109.4132173.6178.5171.9-115.200109.6R562 Y775 Y820 A821 Y823 L878R562-E876 WeakPolarHBondContact CD-OE1 3.32Å; R562-E876 IonicContact CZ-OE2 2.69Å; R562-E876 IonicContact NE-OE2 2.75Å; R562-E876 IonicContact NH1-OE2 2.68Å; R562-E876 PolarHBondContact NH1-OE2 3.28Å; Y775-E876 HydrophobicContact CD1-CB 4.03Å; Y775-E876 HydrophobicContact CD1-CG 4.18Å; Y775-E876 HydrophobicContact CE1-CB 3.8Å; Y775-E876 HydrophobicContact CE1-CG 3.55Å; Y775-E876 WeakPolarHBondContact CE1-OE1 3.38Å; Y775-E876 PolarHBondContact OH-OE1 2.78Å; Y820-E876 CarbonylContact C-O 3.59Å; Y820-E876 VanDerWaalsContact CA-O 3.31Å; Y820-E876 WeakPolarHBondContact CA-O 3.18Å; A821-E876 PolarHBondContact N-O 3.23Å; A821-E876 PolarHBondContact O-N 3.32Å; Y823-E876 HydrophobicContact CD1-CB 3.8Å; Y823-E876 HydrophobicContact CE1-CB 4.18Å; E876-L878 PolarHBondContact O-N 3.47Å
877L95.3Very high72.8Confident42 Ų4265.7 Ų65.722%0.2235%0.353CS..EExtended strand (participates in β ladder)trans-65.4124179.6-179.170.8000110.6T774 Y820T774-L877 HydrophobicContact CG2-CB 4.42Å; T774-L877 WeakPolarHBondContact O-CB 3.49Å; T774-L877 PolarHBondContact O-N 3.18Å; Y820-L877 HydrophobicContact CD1-CB 4.07Å; Y820-L877 HydrophobicContact CD1-CD1 4.48Å; Y820-L877 HydrophobicContact CD2-CD1 4.21Å; Y820-L877 HydrophobicContact CE1-CB 3.67Å; Y820-L877 HydrophobicContact CE1-CD1 4Å; Y820-L877 HydrophobicContact CE1-CG 4.44Å; Y820-L877 HydrophobicContact CE2-CD1 3.68Å
878L90.7Very high69.9Low55 Ų5569 Ų6929%0.28837%0.374SS..PPolyproline II helixtrans-72.3136177-69.1175.4000111S817 E819 A821 E876S817-L878 WeakPolarHBondContact CB-O 3.14Å; S817-L878 PolarHBondContact OG-O 3.2Å; E819-L878 HydrophobicContact CB-CB 4.36Å; E819-L878 HydrophobicContact CB-CD1 4.12Å; E819-L878 WeakPolarHBondContact O-CB 3.3Å; E819-L878 PolarHBondContact O-N 2.95Å; A821-L878 HydrophobicContact CB-CD1 4.5Å; A821-L878 HydrophobicContact CB-CD2 3.81Å; A821-L878 HydrophobicContact CB-CG 4.22Å; E876-L878 PolarHBondContact O-N 3.47Å
879P78.1Confident67Low91 Ų9173.3 Ų73.359%0.59139%0.392SS*.PPolyproline II helixtrans-63.6138172.127.9-33.9000109.9V881P879-V881 PolarHBondContact O-N 3.23Å; P879-V881 VanDerWaalsContact O-N 3.09Å
880R62.8Low63.9Low118 Ų11877.7 Ų77.745%0.44542%0.415SS..PPolyproline II helixtrans-56.9118178.8-105.8-174.7-171.3166.26110.3K814 L815 H816 G882 V883K814-R880 PolarHBondContact O-NH2 2.95Å; L815-R880 PolarHBondContact O-NH1 3.02Å; H816-R880 PolarHBondContact O-NE 2.85Å; H816-R880 PolarHBondContact O-NH2 3.38Å; R880-G882 PolarHBondContact O-N 2.75Å; R880-V883 HydrophobicContact CB-CG2 4.49Å; R880-V883 PolarHBondContact O-N 2.82Å
881V47.7Very low60.8Low145 Ų14585.7 Ų85.788%0.87945%0.454SS*.THydrogen-bonded Turntrans-58.1112.2169.6-176.90000107.8P879P879-V881 PolarHBondContact O-N 3.23Å; P879-V881 VanDerWaalsContact O-N 3.09Å
882G39.2Very low57.6Low78 Ų7891.9 Ų91.980%0.80449%0.492SS*.THydrogen-bonded Turntrans124.2-2.2-175.600000116.7R880R880-G882 PolarHBondContact O-N 2.75Å
883V32.6Very low54.1Low104 Ų104104.3 Ų104.363%0.6354%0.539SS*.SBendtrans-123-6.2177.3-166.70000113.9R880R880-V883 HydrophobicContact CB-CG2 4.49Å; R880-V883 PolarHBondContact O-N 2.82Å
884F27.8Very low51.9Low114 Ų114109.6 Ų109.650%0.557%0.566SS.*  trans-129.882.9178.8-83.5-79.2000113.6T888F884-T888 HydrophobicContact CD1-CG2 3.77Å; F884-T888 HydrophobicContact CE1-CG2 3.92Å
885F28.4Very low49.4Very low214 Ų214115.3 Ų115.394%0.93960%0.596SS**SBendtrans-144.950.1155.9-102.6-70.3000110.3
886E28.4Very low46.7Very low165 Ų165121.7 Ų121.777%0.77163%0.629SS**SBendtrans-159.9-51.8170.5-118.4161.3-156.100113
887N28.6Very low43.7Very low114 Ų114127.2 Ų127.261%0.6166%0.658SS**G310 helixtrans-85.2-12.8-165.1-76.9-43.4000117.4H889N887-H889 VanDerWaalsContact C-N 3.26Å; N887-H889 PolarHBondContact O-N 2.62Å
888T33Very low40.5Very low94 Ų94132.6 Ų132.658%0.57769%0.686SS**G310 helixtrans-71.5-17.4178.127.10000113.9F884F884-T888 HydrophobicContact CD1-CG2 3.77Å; F884-T888 HydrophobicContact CE1-CG2 3.92Å
889H32.4Very low37.2Very low147 Ų147137.7 Ų137.768%0.68171%0.712SS**G310 helixtrans-83.6-11.5-176-137.3-43.8000114.4N887N887-H889 VanDerWaalsContact C-N 3.26Å; N887-H889 PolarHBondContact O-N 2.62Å
890N31.2Very low34.2Very low120 Ų120141.1 Ų141.164%0.64272%0.721SS**G310 helixtrans-11213.7-174-72.5-24.7000114.3
891M30.5Very low32Very low168 Ų168142.8 Ų142.883%0.82874%0.742SS**SBendtrans-116.46.9170.7-69.6-167.970.200113.5
892V30.7Very low30.7Very low132 Ų132142.7 Ų142.780%0.873%0.731SS**  trans-128.336.1175.3-160.10000110
893R25.9Very low30Very low262 Ų262148.5 Ų148.599%0.98972%0.724SS**  trans-146.60171-91.4-170.8171-176.8-1.2108.6

Retrieved 893 of 893 residues in 447.3 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).