A0A060VVU1_ONCMY Loading...

Nicotinamide/nicotinic acid mononucleotide adenylyltransferase 2

AlphaFold DB , UniProt , Accession A0A060VVU1, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 308 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.5Very low75.8Confident243 Ų24381.9 Ų81.9100%1.19743%0.433SS*.  0101.70-72.3172.3169.500106D3M1-D3 PolarHBondContact O-N 3.09Å
2T40.9Very low77.7Confident136 Ų13675.1 Ų75.183%0.83440%0.397SS*.  trans-78107.2178.743.10000107.6N4T2-N4 PolarHBondContact O-N 2.84Å
3D48.9Very low79.3Confident137 Ų13769.6 Ų69.673%0.73337%0.368SS*.  trans-60.4105.9174-150-1.9000107.9M1 T5M1-D3 PolarHBondContact O-N 3.09Å; D3-T5 VanDerWaalsContact C-N 3.32Å
4N59.4Low80.7Confident139 Ų13965.6 Ų65.674%0.74335%0.349SS*.  trans-98.518.4-170.5-158.831.6000111.4T2 K6T2-N4 PolarHBondContact O-N 2.84Å; N4-K6 PolarHBondContact O-N 3.36Å
5T80.3Confident81.8Confident67 Ų6763 Ų6341%0.41134%0.343SS..  trans-74.3113.6-178.4560000109.4D3D3-T5 VanDerWaalsContact C-N 3.32Å
6K88.6Confident82.9Confident95 Ų9560.1 Ų60.141%0.41333%0.329SS..PPolyproline II helixtrans-82.4139.1175-62-176.6-179.3176.60110.4N4 H8 G39 K40 I42N4-K6 PolarHBondContact O-N 3.36Å; K6-H8 PolarHBondContact O-N 2.7Å; K6-H8 PolarHBondContact O-ND1 3.13Å; K6-H8 VanDerWaalsContact O-ND1 3.14Å; K6-G39 VanDerWaalsContact CE-O 3.28Å; K6-G39 WeakPolarHBondContact CE-O 3.37Å; K6-K40 WeakPolarHBondContact CA-O 3.46Å; K6-I42 HydrophobicContact CB-CD1 3.91Å; K6-I42 HydrophobicContact CB-CG1 3.77Å; K6-I42 HydrophobicContact CD-CD1 3.89Å; K6-I42 HydrophobicContact CD-CG1 3.67Å; K6-I42 HydrophobicContact CG-CD1 4.48Å; K6-I42 HydrophobicContact CG-CG1 4.38Å
7T92Very high83.8Confident19 Ų1956.8 Ų56.812%0.11731%0.311CS..EExtended strand (participates in β ladder)trans-75.7125.3175.1-51.50000109.7V9 K40 F41 I42 E193 R195T7-V9 HydrophobicContact CG2-CG2 4.36Å; T7-K40 PolarHBondContact N-O 2.98Å; T7-F41 HydrophobicContact CG2-CD1 4.25Å; T7-F41 HydrophobicContact CG2-CE1 4.29Å; T7-F41 CarbonylContact O-C 3.57Å; T7-F41 VanDerWaalsContact O-CA 3.23Å; T7-F41 WeakPolarHBondContact O-CA 3.38Å; T7-I42 PolarHBondContact O-N 3.33Å; T7-E193 HydrophobicContact CG2-CB 4.29Å; T7-E193 HydrophobicContact CG2-CG 3.97Å; T7-E193 PolarHBondContact OG1-OE2 2.95Å; T7-R195 HydrophobicContact CG2-CB 4.39Å; T7-R195 HydrophobicContact CG2-CG 3.9Å
8H93.7Very high84.5Confident41 Ų4153.7 Ų53.719%0.1929%0.294CS..EExtended strand (participates in β ladder)trans-82.6138175.8-66.860.2000109.6K6 I42 I44 I192 E193 L194 R195K6-H8 PolarHBondContact O-N 2.7Å; K6-H8 PolarHBondContact O-ND1 3.13Å; K6-H8 VanDerWaalsContact O-ND1 3.14Å; H8-I42 CarbonylContact C-O 3.52Å; H8-I42 VanDerWaalsContact CA-O 3.29Å; H8-I42 WeakPolarHBondContact CA-O 3.26Å; H8-I44 HydrophobicContact CB-CD1 4.32Å; H8-I44 HydrophobicContact CB-CG2 4.46Å; H8-I192 HydrophobicContact CB-CG2 4.02Å; H8-I192 WeakPolarHBondContact ND1-CG2 3.16Å; H8-E193 PolarHBondContact N-O 3.44Å; H8-L194 HydrophobicContact CB-CD1 4.01Å; H8-L194 CarbonylContact O-C 3.6Å; H8-L194 WeakPolarHBondContact O-CA 3.32Å; H8-R195 PolarHBondContact O-N 3.01Å
9V96.4Very high85.3Confident0 Ų050.9 Ų50.90%028%0.279CS..EExtended strand (participates in β ladder)trans-133137.3-170.81740000111.4T7 L11 L35 F41 I42 V43 I44 R195 L197T7-V9 HydrophobicContact CG2-CG2 4.36Å; V9-L11 HydrophobicContact CG1-CD2 3.9Å; V9-L11 HydrophobicContact CG1-CG 4.44Å; V9-L35 HydrophobicContact CG1-CD1 4.43Å; V9-F41 HydrophobicContact CG2-CB 4.32Å; V9-F41 HydrophobicContact CG2-CD1 3.5Å; V9-F41 HydrophobicContact CG2-CE1 4.2Å; V9-F41 HydrophobicContact CG2-CG 4.24Å; V9-I42 PolarHBondContact N-O 3.28Å; V9-V43 HydrophobicContact CB-CG2 4.5Å; V9-V43 CarbonylContact O-C 3.58Å; V9-V43 VanDerWaalsContact O-CA 3.31Å; V9-V43 WeakPolarHBondContact O-CA 3.42Å; V9-I44 PolarHBondContact O-N 2.95Å; V9-R195 CarbonylContact C-O 3.58Å; V9-R195 WeakPolarHBondContact CA-O 3.43Å; V9-L197 HydrophobicContact CG1-CB 4.23Å; V9-L197 HydrophobicContact CG1-CD1 3.68Å; V9-L197 HydrophobicContact CG1-CG 3.67Å; V9-L197 HydrophobicContact CG2-CD1 4.19Å; V9-L197 HydrophobicContact CG2-CG 4.49Å
10I98Very high85.9Confident24 Ų2448.5 Ų48.512%0.12327%0.265CS..EExtended strand (participates in β ladder)trans-106.2129.6160.6-73.2165.8000108.7I44 G45 I47 M106 L194 R195 I196 L197I10-I44 HydrophobicContact CD1-CD1 4.43Å; I10-I44 HydrophobicContact CD1-CG1 4.42Å; I10-I44 HydrophobicContact CG1-CD1 4.38Å; I10-I44 HydrophobicContact CG1-CG1 3.89Å; I10-G45 WeakPolarHBondContact CA-O 3.48Å; I10-I47 HydrophobicContact CG2-CD1 3.7Å; I10-I47 HydrophobicContact CG2-CG1 3.89Å; I10-M106 HydrophobicContact CB-SD 4.32Å; I10-M106 HydrophobicContact CD1-CG 4.32Å; I10-M106 HydrophobicContact CD1-SD 3.33Å; I10-M106 WeakPolarHBondContact CD1-SD 3.48Å; I10-M106 HydrophobicContact CG1-SD 4.3Å; I10-L194 HydrophobicContact CD1-CD1 4.43Å; I10-R195 PolarHBondContact N-O 3.42Å; I10-I196 WeakPolarHBondContact O-CA 3.43Å; I10-L197 PolarHBondContact O-N 3.25Å
11L98.9Very high86.5Confident0 Ų046.3 Ų46.30%025%0.253CS..EExtended strand (participates in β ladder)trans-90.4122174.7-63.3-180000109.1V9 F28 A31 L35 V43 G45 G46 I47 W79 L197 L199 V229V9-L11 HydrophobicContact CG1-CD2 3.9Å; V9-L11 HydrophobicContact CG1-CG 4.44Å; L11-F28 HydrophobicContact CB-CD1 4.27Å; L11-F28 HydrophobicContact CB-CE1 4.15Å; L11-A31 HydrophobicContact CD1-CB 3.79Å; L11-L35 HydrophobicContact CD1-CD1 4.43Å; L11-L35 HydrophobicContact CD2-CD1 3.78Å; L11-V43 HydrophobicContact CD1-CG1 4.07Å; L11-V43 HydrophobicContact CD1-CG2 4.4Å; L11-V43 HydrophobicContact CG-CG1 4.07Å; L11-G45 PolarHBondContact N-O 3.09Å; L11-G46 CarbonylContact O-C 3.52Å; L11-G46 VanDerWaalsContact O-CA 3.29Å; L11-G46 WeakPolarHBondContact O-CA 3.21Å; L11-I47 PolarHBondContact O-N 2.77Å; L11-W79 HydrophobicContact CD1-CH2 4.24Å; L11-W79 HydrophobicContact CD1-CZ3 4.3Å; L11-L197 HydrophobicContact CD2-CB 4.17Å; L11-L199 HydrophobicContact CB-CB 4.28Å; L11-L199 HydrophobicContact CB-CD2 4.33Å; L11-L199 HydrophobicContact CD1-CD2 4.34Å; L11-V229 HydrophobicContact CD2-CG2 4.14Å
12L98.9Very high89.4Confident0 Ų037.8 Ų37.80%021%0.21CC..EExtended strand (participates in β ladder)trans-111.3122.7176.1175.167.8000109.4I47 V98 L99 I196 L197 L198 L199L12-I47 CarbonylContact C-O 3.53Å; L12-I47 WeakPolarHBondContact CA-O 3.21Å; L12-I47 HydrophobicContact CD1-CB 3.61Å; L12-I47 HydrophobicContact CD1-CG2 3.45Å; L12-I47 VanDerWaalsContact CD1-CG2 3.45Å; L12-V98 HydrophobicContact CD2-CG1 4.14Å; L12-L99 HydrophobicContact CB-CD2 4.44Å; L12-L99 HydrophobicContact CD2-CD2 3.62Å; L12-L99 HydrophobicContact CD2-CG 3.92Å; L12-I196 HydrophobicContact CB-CG2 3.71Å; L12-I196 HydrophobicContact CD2-CG2 4.36Å; L12-L197 PolarHBondContact N-O 3.23Å; L12-L198 CarbonylContact O-C 3.54Å; L12-L198 WeakPolarHBondContact O-CA 3.43Å; L12-L199 PolarHBondContact O-N 2.92Å
13S98.8Very high92Very high4 Ų431.9 Ų31.93%0.02818%0.175CC..EExtended strand (participates in β ladder)trans-113.3114.7172.4-162.80000110.2M27 I47 S49 L199S13-M27 WeakPolarHBondContact OG-CE 3.24Å; S13-I47 PolarHBondContact N-O 3.2Å; S13-S49 PolarHBondContact O-N 2.88Å; S13-L199 WeakPolarHBondContact CB-O 3.27Å; S13-L199 PolarHBondContact OG-O 3.26Å
14C98.6Very high94.3Very high14 Ų1426.9 Ų26.910%0.09515%0.148CC..EExtended strand (participates in β ladder)trans-92.7141.1172.8-59.10000109.4S49 T95C14-S49 WeakPolarHBondContact CA-O 3.43Å; C14-T95 HydrophobicContact CB-CG2 4.21Å
15G97.7Very high96.2Very high26 Ų2621.8 Ų21.827%0.26812%0.12SC..EExtended strand (participates in β ladder)trans176.5173.5179.100000114.5F17 S49 P50 V51G15-F17 WeakPolarHBondContact O-CD2 3.25Å; G15-F17 WeakPolarHBondContact O-CE2 3.42Å; G15-S49 PolarHBondContact N-O 2.91Å; G15-P50 WeakPolarHBondContact O-CA 3.37Å; G15-V51 PolarHBondContact O-N 3.24Å
16S98.2Very high96.9Very high16 Ų1620.2 Ų20.211%0.11211%0.108CC..  trans-68.2-41.5178.2-48.70000112.3K57 R66S16-K57 VanDerWaalsContact OG-CD 3.32Å; S16-K57 WeakPolarHBondContact OG-CD 3.38Å; S16-K57 PolarHBondContact OG-NZ 3.12Å; S16-R66 VanDerWaalsContact O-CD 3.28Å; S16-R66 WeakPolarHBondContact O-CD 3.29Å; S16-R66 PolarHBondContact O-NH1 2.76Å; S16-R66 VanDerWaalsContact O-NH1 3.08Å
17F98.4Very high97.3Very high4 Ų416.7 Ų16.72%0.0189%0.093CC..  trans47.359.3-171.6-52.4-76.6000112.5G15 P19 I20 H24 I48 S49 P50 C70G15-F17 WeakPolarHBondContact O-CD2 3.25Å; G15-F17 WeakPolarHBondContact O-CE2 3.42Å; F17-P19 VanDerWaalsContact C-CA 3.46Å; F17-P19 CarbonylContact C-O 3.55Å; F17-P19 CarbonylContact O-C 3.56Å; F17-P19 VanDerWaalsContact O-CA 3.32Å; F17-P19 WeakPolarHBondContact O-CA 3.41Å; F17-I20 HydrophobicContact CB-CB 4.16Å; F17-I20 HydrophobicContact CD1-CB 4.33Å; F17-I20 HydrophobicContact CD1-CD1 4.23Å; F17-I20 HydrophobicContact CD1-CG1 4.08Å; F17-I20 PolarHBondContact O-N 3.18Å; F17-H24 AromaticContact CD1-CD2 3.7Å; F17-H24 AromaticContact CD1-NE2 3.99Å; F17-H24 HydrophobicContact CE1-CB 4.29Å; F17-H24 AromaticContact CE1-CD2 3.58Å; F17-I48 HydrophobicContact CD1-CG2 4.27Å; F17-I48 HydrophobicContact CD2-CG2 3.96Å; F17-I48 HydrophobicContact CE1-CG2 3.97Å; F17-I48 HydrophobicContact CE2-CG2 3.65Å; F17-I48 HydrophobicContact CG-CG2 4.27Å; F17-I48 HydrophobicContact CZ-CG2 3.67Å; F17-S49 WeakPolarHBondContact CE2-O 3.09Å; F17-P50 HydrophobicContact CD2-CB 4.03Å; F17-P50 HydrophobicContact CD2-CG 4.02Å; F17-C70 VanDerWaalsContact CB-SG 3.54Å
18N97.8Very high97.6Very high2 Ų215.8 Ų15.81%0.0119%0.088CC..THydrogen-bonded Turntrans-122.568.5-168.7-171.660.3000112.6G59 L60 V61 S271 R275 Y303N18-G59 PolarHBondContact ND2-O 3.12Å; N18-L60 HydrophobicContact CB-CD1 3.96Å; N18-V61 WeakPolarHBondContact OD1-CG2 3.43Å; N18-V61 PolarHBondContact OD1-N 3.16Å; N18-S271 WeakPolarHBondContact O-CB 3.49Å; N18-R275 WeakPolarHBondContact O-CD 3.49Å; N18-R275 PolarHBondContact O-NH1 3.06Å; N18-Y303 VanDerWaalsContact C-OH 3.3Å; N18-Y303 PolarHBondContact OD1-OH 3.13Å; N18-Y303 VanDerWaalsContact OD1-OH 3.05Å
19P98.1Very high97.8Very high0 Ų017.5 Ų17.50%010%0.096CC..THydrogen-bonded Turncis-85.6172-4.535.8-36.3000112.7F17 M69 S271 L289 I297 Y303F17-P19 VanDerWaalsContact C-CA 3.46Å; F17-P19 CarbonylContact C-O 3.55Å; F17-P19 CarbonylContact O-C 3.56Å; F17-P19 VanDerWaalsContact O-CA 3.32Å; F17-P19 WeakPolarHBondContact O-CA 3.41Å; P19-M69 HydrophobicContact CB-CE 4.06Å; P19-M69 HydrophobicContact CB-SD 3.65Å; P19-S271 PolarHBondContact O-OG 3.19Å; P19-L289 HydrophobicContact CG-CD1 4.14Å; P19-L289 HydrophobicContact CG-CD2 3.94Å; P19-I297 HydrophobicContact CB-CD1 3.97Å; P19-I297 HydrophobicContact CG-CD1 4.04Å; P19-Y303 HydrophobicContact CB-CE2 4.01Å; P19-Y303 HydrophobicContact CG-CE2 4.14Å
20I98.6Very high97.8Very high2 Ų218.5 Ų18.51%0.0110%0.1CC..  trans-60.2147.2162.6-169.5162.2000109.9F17 H24 I25 I48 M69 C70 A73 L289 V293F17-I20 HydrophobicContact CB-CB 4.16Å; F17-I20 HydrophobicContact CD1-CB 4.33Å; F17-I20 HydrophobicContact CD1-CD1 4.23Å; F17-I20 HydrophobicContact CD1-CG1 4.08Å; F17-I20 PolarHBondContact O-N 3.18Å; I20-H24 HydrophobicContact CG1-CB 4.08Å; I20-I25 HydrophobicContact CD1-CD1 3.88Å; I20-I25 HydrophobicContact CG1-CD1 4.49Å; I20-I48 HydrophobicContact CD1-CD1 3.61Å; I20-M69 HydrophobicContact CG2-CB 4.16Å; I20-M69 WeakPolarHBondContact CG2-O 3.49Å; I20-C70 HydrophobicContact CD1-CB 4.28Å; I20-A73 HydrophobicContact CD1-CB 3.96Å; I20-A73 HydrophobicContact CG1-CB 4.28Å; I20-A73 HydrophobicContact CG2-CB 3.59Å; I20-L289 WeakPolarHBondContact O-CD2 3.4Å; I20-V293 HydrophobicContact CG2-CG1 4.49Å; I20-V293 HydrophobicContact CG2-CG2 4.23Å
21T97.9Very high97.8Very high3 Ų317.4 Ų17.42%0.0189%0.094CC..  trans-130.3163.2-177.473.20000110.7G23 H24 I25 S274 Y288 L289T21-G23 PolarHBondContact O-N 2.83Å; T21-G23 PolarHBondContact OG1-N 3.2Å; T21-H24 PolarHBondContact N-ND1 3.34Å; T21-H24 WeakPolarHBondContact O-CB 3.37Å; T21-H24 PolarHBondContact O-N 3.33Å; T21-H24 PolarHBondContact OG1-CE1 2.93Å; T21-H24 PolarHBondContact OG1-N 3.39Å; T21-H24 PolarHBondContact OG1-ND1 3.24Å; T21-I25 PolarHBondContact O-N 3.42Å; T21-S274 WeakPolarHBondContact CG2-OG 3.34Å; T21-Y288 WeakPolarHBondContact CA-O 3.35Å; T21-Y288 WeakPolarHBondContact CB-O 3.31Å; T21-L289 HydrophobicContact CG2-CD2 3.81Å
22K97.1Very high97.8Very high65 Ų6520.5 Ų20.528%0.28311%0.106SC..Hα-helixtrans-55.2-30.7169.7-71.6176.7169.41740112.3H24 I25 H26 M266 V286 Y288 L289 N290K22-H24 VanDerWaalsContact C-N 3.33Å; K22-H24 PolarHBondContact O-N 2.97Å; K22-I25 PolarHBondContact O-N 3.46Å; K22-H26 WeakPolarHBondContact O-CB 3.35Å; K22-H26 PolarHBondContact O-N 3.29Å; K22-M266 HydrophobicContact CB-SD 3.66Å; K22-V286 PolarHBondContact NZ-O 3.03Å; K22-Y288 WeakPolarHBondContact CB-O 3.41Å; K22-Y288 PolarHBondContact N-O 2.97Å; K22-L289 WeakPolarHBondContact CE-O 3.3Å; K22-N290 WeakPolarHBondContact CE-OD1 3.28Å
23G95.9Very high97.7Very high11 Ų1124.3 Ų24.311%0.11312%0.124CC..Hα-helixtrans-60.2-37.9172.800000114T21 M27T21-G23 PolarHBondContact O-N 2.83Å; T21-G23 PolarHBondContact OG1-N 3.2Å; G23-M27 PolarHBondContact O-N 3.47Å
24H97.8Very high97.6Very high33 Ų3326.6 Ų26.615%0.15313%0.132CC..Hα-helixtrans-68.6-41.9175.7-57.791.6000111.3F17 I20 T21 K22 M27 F28 S271F17-H24 AromaticContact CD1-CD2 3.7Å; F17-H24 AromaticContact CD1-NE2 3.99Å; F17-H24 HydrophobicContact CE1-CB 4.29Å; F17-H24 AromaticContact CE1-CD2 3.58Å; I20-H24 HydrophobicContact CG1-CB 4.08Å; T21-H24 PolarHBondContact N-ND1 3.34Å; T21-H24 WeakPolarHBondContact O-CB 3.37Å; T21-H24 PolarHBondContact O-N 3.33Å; T21-H24 PolarHBondContact OG1-CE1 2.93Å; T21-H24 PolarHBondContact OG1-N 3.39Å; T21-H24 PolarHBondContact OG1-ND1 3.24Å; K22-H24 VanDerWaalsContact C-N 3.33Å; K22-H24 PolarHBondContact O-N 2.97Å; H24-M27 WeakPolarHBondContact O-CB 3.41Å; H24-M27 PolarHBondContact O-N 3.28Å; H24-F28 WeakPolarHBondContact O-CD2 3.38Å; H24-F28 PolarHBondContact O-N 2.76Å; H24-S271 PolarHBondContact CE1-OG 3.49Å
25I97.9Very high97.5Very high31 Ų3125.9 Ų25.916%0.15913%0.128CC..Hα-helixtrans-65.1-44.8178-53.7-51.3000110.6I20 T21 K22 M27 F28 E29 I48 A73 V74I20-I25 HydrophobicContact CD1-CD1 3.88Å; I20-I25 HydrophobicContact CG1-CD1 4.49Å; T21-I25 PolarHBondContact O-N 3.42Å; K22-I25 PolarHBondContact O-N 3.46Å; I25-M27 VanDerWaalsContact C-N 3.27Å; I25-M27 PolarHBondContact O-N 3.33Å; I25-F28 WeakPolarHBondContact O-CB 3.45Å; I25-F28 PolarHBondContact O-N 2.93Å; I25-F28 VanDerWaalsContact O-N 3.07Å; I25-E29 PolarHBondContact O-N 3.46Å; I25-E29 VanDerWaalsContact O-N 3.13Å; I25-I48 HydrophobicContact CD1-CD1 4.29Å; I25-A73 HydrophobicContact CD1-CB 4.42Å; I25-V74 HydrophobicContact CD1-CG1 3.64Å
26H96.5Very high97.5Very high35 Ų3528.1 Ų28.116%0.16213%0.131CC..Hα-helixtrans-55.2-41.9174.6179.876.8000112.4K22 F28 E29 K30 D261 H264 M266K22-H26 WeakPolarHBondContact O-CB 3.35Å; K22-H26 PolarHBondContact O-N 3.29Å; H26-F28 VanDerWaalsContact C-N 3.3Å; H26-F28 PolarHBondContact O-N 3.48Å; H26-E29 PolarHBondContact O-N 3.19Å; H26-K30 VanDerWaalsContact O-CB 3.31Å; H26-K30 WeakPolarHBondContact O-CB 3.46Å; H26-K30 PolarHBondContact O-N 3.46Å; H26-D261 IonicContact CD2-OD1 2.76Å; H26-D261 IonicContact CD2-OD2 3.85Å; H26-D261 PolarHBondContact CD2-OD2 3.24Å; H26-D261 IonicContact CE1-OD1 3.81Å; H26-D261 PolarHBondContact CE1-OD1 2.91Å; H26-D261 IonicContact NE2-OD1 2.59Å; H26-D261 PolarHBondContact NE2-OD1 3.36Å; H26-D261 IonicContact NE2-OD2 3.97Å; H26-D261 PolarHBondContact NE2-OD2 3.21Å; H26-H264 AromaticContact CD2-ND1 3.79Å; H26-H264 AromaticContact CE1-CD2 3.83Å; H26-H264 AromaticContact CE1-CE1 3.19Å; H26-H264 PolarHBondContact CE1-CE1 3.19Å; H26-H264 AromaticContact CE1-CG 3.52Å; H26-H264 AromaticContact CE1-ND1 3.1Å; H26-H264 PolarHBondContact CE1-ND1 3.46Å; H26-H264 AromaticContact CE1-NE2 3.66Å; H26-H264 AromaticContact CG-ND1 3.94Å; H26-H264 AromaticContact ND1-CE1 3.33Å; H26-H264 PolarHBondContact ND1-CE1 3.29Å; H26-H264 VanDerWaalsContact ND1-CE1 3.33Å; H26-H264 AromaticContact ND1-ND1 3.53Å; H26-H264 AromaticContact NE2-CE1 3.82Å; H26-H264 AromaticContact NE2-CG 3.59Å; H26-H264 AromaticContact NE2-ND1 3.24Å; H26-H264 PolarHBondContact NE2-ND1 3.29Å; H26-M266 HydrophobicContact CB-CB 3.73Å; H26-M266 HydrophobicContact CB-CG 3.9Å
27M96.7Very high97.3Very high20 Ų2033.1 Ų33.110%0.09915%0.151CC..Hα-helixtrans-58.3-39.7176.6178.9173.77000112.5S13 G23 H24 I25 A31 L199 V231S13-M27 WeakPolarHBondContact OG-CE 3.24Å; G23-M27 PolarHBondContact O-N 3.47Å; H24-M27 WeakPolarHBondContact O-CB 3.41Å; H24-M27 PolarHBondContact O-N 3.28Å; I25-M27 VanDerWaalsContact C-N 3.27Å; I25-M27 PolarHBondContact O-N 3.33Å; M27-A31 VanDerWaalsContact O-CB 3.25Å; M27-A31 WeakPolarHBondContact O-CB 3.35Å; M27-A31 PolarHBondContact O-N 3.04Å; M27-A31 VanDerWaalsContact O-N 3.08Å; M27-L199 HydrophobicContact CE-CD2 4.43Å; M27-L199 HydrophobicContact CE-CG 4.17Å; M27-L199 HydrophobicContact CG-CD1 3.84Å; M27-L199 HydrophobicContact CG-CD2 4.12Å; M27-L199 HydrophobicContact CG-CG 3.95Å; M27-L199 HydrophobicContact SD-CD1 4.49Å; M27-L199 HydrophobicContact SD-CG 4.32Å; M27-V231 HydrophobicContact CG-CB 3.83Å; M27-V231 HydrophobicContact CG-CG2 3.68Å
28F98.4Very high97.1Very high0 Ų035.6 Ų35.60%017%0.166CC..Hα-helixtrans-65.1-52.3174.1-85-88.1000112L11 H24 I25 H26 K30 A31 R32 I47 I48 W79 I80 L199L11-F28 HydrophobicContact CB-CD1 4.27Å; L11-F28 HydrophobicContact CB-CE1 4.15Å; H24-F28 WeakPolarHBondContact O-CD2 3.38Å; H24-F28 PolarHBondContact O-N 2.76Å; I25-F28 WeakPolarHBondContact O-CB 3.45Å; I25-F28 PolarHBondContact O-N 2.93Å; I25-F28 VanDerWaalsContact O-N 3.07Å; H26-F28 VanDerWaalsContact C-N 3.3Å; H26-F28 PolarHBondContact O-N 3.48Å; F28-K30 VanDerWaalsContact C-N 3.28Å; F28-K30 PolarHBondContact O-N 3Å; F28-A31 PolarHBondContact O-N 3.23Å; F28-R32 WeakPolarHBondContact O-CB 3.42Å; F28-R32 PolarHBondContact O-N 2.85Å; F28-I47 WeakPolarHBondContact CZ-O 3.32Å; F28-I48 HydrophobicContact CE2-CD1 4.16Å; F28-I48 HydrophobicContact CE2-CG1 3.6Å; F28-I48 HydrophobicContact CZ-CG1 3.71Å; F28-W79 HydrophobicContact CB-CH2 3.72Å; F28-W79 HydrophobicContact CB-CZ2 3.82Å; F28-W79 AromaticContact CD1-CH2 3.88Å; F28-W79 HydrophobicContact CD1-CH2 3.88Å; F28-W79 HydrophobicContact CD1-CZ3 4.23Å; F28-W79 HydrophobicContact CG-CH2 4.3Å; F28-W79 WeakPolarHBondContact O-CH2 3.49Å; F28-I80 HydrophobicContact CB-CD1 3.55Å; F28-I80 HydrophobicContact CB-CG1 4.32Å; F28-I80 HydrophobicContact CD1-CD1 4.35Å; F28-I80 HydrophobicContact CD1-CG1 4.32Å; F28-I80 HydrophobicContact CD1-CG2 4.46Å; F28-I80 HydrophobicContact CD2-CD1 4.48Å; F28-I80 HydrophobicContact CE1-CG2 4.47Å; F28-I80 HydrophobicContact CG-CD1 3.91Å; F28-I80 HydrophobicContact CG-CG1 4.37Å; F28-L199 HydrophobicContact CB-CD2 4.2Å; F28-L199 HydrophobicContact CD1-CD2 3.5Å; F28-L199 VanDerWaalsContact CD1-CD2 3.5Å; F28-L199 HydrophobicContact CD2-CD2 3.86Å; F28-L199 HydrophobicContact CE1-CD2 3.72Å; F28-L199 HydrophobicContact CE2-CD2 4.05Å; F28-L199 HydrophobicContact CG-CD2 3.57Å; F28-L199 HydrophobicContact CZ-CD2 3.99Å
29E97.6Very high96.9Very high77 Ų7737.3 Ų37.336%0.3618%0.184SC..Hα-helixtrans-59.1-43.3-178-63.8-55.5153.100111.4I25 H26 R32 E33 W79I25-E29 PolarHBondContact O-N 3.46Å; I25-E29 VanDerWaalsContact O-N 3.13Å; H26-E29 PolarHBondContact O-N 3.19Å; E29-R32 PolarHBondContact O-N 2.81Å; E29-E33 WeakPolarHBondContact O-CB 3.47Å; E29-E33 PolarHBondContact O-N 2.99Å; E29-W79 PolarHBondContact OE1-NE1 2.89Å; E29-W79 PolarHBondContact OE2-NE1 3.4Å
30K96.9Very high96.6Very high22 Ų2244.1 Ų44.110%0.09621%0.214CC..Hα-helixtrans-68.4-42.9-179.6-166.974.7-168.8158.90112.8H26 F28 R32 E33 Y34 V258 D260 D261H26-K30 VanDerWaalsContact O-CB 3.31Å; H26-K30 WeakPolarHBondContact O-CB 3.46Å; H26-K30 PolarHBondContact O-N 3.46Å; F28-K30 VanDerWaalsContact C-N 3.28Å; F28-K30 PolarHBondContact O-N 3Å; K30-R32 VanDerWaalsContact C-N 3.33Å; K30-R32 PolarHBondContact O-N 3.46Å; K30-E33 IonicContact NZ-OE2 2.78Å; K30-E33 PolarHBondContact NZ-OE2 2.9Å; K30-E33 PolarHBondContact O-N 3.33Å; K30-Y34 WeakPolarHBondContact O-CB 3.43Å; K30-Y34 PolarHBondContact O-N 3.29Å; K30-V258 HydrophobicContact CG-CG1 3.67Å; K30-D260 WeakPolarHBondContact CE-OD1 3.17Å; K30-D260 WeakPolarHBondContact CE-OD2 3.47Å; K30-D260 IonicContact NZ-OD1 2.82Å; K30-D260 PolarHBondContact NZ-OD1 3.31Å; K30-D260 IonicContact NZ-OD2 2.91Å; K30-D260 PolarHBondContact NZ-OD2 2.92Å; K30-D261 HydrophobicContact CD-CB 4Å; K30-D261 VanDerWaalsContact CD-OD1 3.3Å; K30-D261 WeakPolarHBondContact CD-OD1 3.17Å; K30-D261 HydrophobicContact CG-CB 3.71Å; K30-D261 VanDerWaalsContact CG-CG 3.5Å
31A97.8Very high96.5Very high0 Ų045.5 Ų45.50%022%0.22CC..Hα-helixtrans-61.6-42.7175.300000111.7L11 M27 F28 Y34 L35 L199 V229 V231L11-A31 HydrophobicContact CD1-CB 3.79Å; M27-A31 VanDerWaalsContact O-CB 3.25Å; M27-A31 WeakPolarHBondContact O-CB 3.35Å; M27-A31 PolarHBondContact O-N 3.04Å; M27-A31 VanDerWaalsContact O-N 3.08Å; F28-A31 PolarHBondContact O-N 3.23Å; A31-Y34 PolarHBondContact O-N 3.49Å; A31-L35 WeakPolarHBondContact O-CB 3.46Å; A31-L35 VanDerWaalsContact O-CG 3.27Å; A31-L35 WeakPolarHBondContact O-CG 3.13Å; A31-L35 PolarHBondContact O-N 3.16Å; A31-L199 HydrophobicContact CB-CD1 3.43Å; A31-L199 VanDerWaalsContact CB-CD1 3.43Å; A31-L199 HydrophobicContact CB-CD2 4.32Å; A31-V229 HydrophobicContact CB-CG1 3.85Å; A31-V231 HydrophobicContact CB-CG2 4.14Å
32R98.1Very high96.3Very high66 Ų6648.1 Ų48.125%0.24923%0.233CC..Hα-helixtrans-60.1-51.7175.8173.9171.6-174.1-159.91.8111.9F28 E29 K30 Y34 L35 H36 V43 W79F28-R32 WeakPolarHBondContact O-CB 3.42Å; F28-R32 PolarHBondContact O-N 2.85Å; E29-R32 PolarHBondContact O-N 2.81Å; K30-R32 VanDerWaalsContact C-N 3.33Å; K30-R32 PolarHBondContact O-N 3.46Å; R32-Y34 VanDerWaalsContact C-N 3.33Å; R32-Y34 PolarHBondContact O-N 3.13Å; R32-L35 PolarHBondContact O-N 3.19Å; R32-H36 PolarHBondContact O-N 2.99Å; R32-V43 HydrophobicContact CB-CB 4.43Å; R32-V43 HydrophobicContact CB-CG1 4.35Å; R32-V43 HydrophobicContact CB-CG2 4.45Å; R32-V43 HydrophobicContact CG-CB 3.99Å; R32-V43 HydrophobicContact CG-CG1 4.19Å; R32-V43 HydrophobicContact CG-CG2 4.38Å; R32-W79 HydrophobicContact CB-CH2 3.65Å; R32-W79 HydrophobicContact CB-CZ2 3.93Å; R32-W79 HydrophobicContact CB-CZ3 4.28Å; R32-W79 HydrophobicContact CG-CH2 4.3Å; R32-W79 HydrophobicContact CG-CZ2 4.4Å
33E96.9Very high96.4Very high80 Ų8045.2 Ų45.237%0.37422%0.221SC..Hα-helixtrans-56-48.9177.9-172.7-163.1-17600111E29 K30 H36 K37E29-E33 WeakPolarHBondContact O-CB 3.47Å; E29-E33 PolarHBondContact O-N 2.99Å; K30-E33 IonicContact NZ-OE2 2.78Å; K30-E33 PolarHBondContact NZ-OE2 2.9Å; K30-E33 PolarHBondContact O-N 3.33Å; E33-H36 PolarHBondContact O-N 2.77Å; E33-K37 HydrophobicContact CG-CD 4.28Å; E33-K37 WeakPolarHBondContact O-CB 3.35Å; E33-K37 VanDerWaalsContact O-CG 3.31Å; E33-K37 WeakPolarHBondContact O-CG 3.47Å; E33-K37 PolarHBondContact O-N 3.29Å; E33-K37 WeakPolarHBondContact OE1-CE 3.36Å; E33-K37 IonicContact OE1-NZ 3.42Å; E33-K37 PolarHBondContact OE1-NZ 2.97Å; E33-K37 IonicContact OE2-NZ 3.4Å
34Y97.2Very high96.3Very high51 Ų5149 Ų4920%0.224%0.237CC..Hα-helixtrans-62.2-47.7-178.7-171.8-90.9000111.9K30 A31 R32 H36 K37 T38 T256 V257 V258 D260K30-Y34 WeakPolarHBondContact O-CB 3.43Å; K30-Y34 PolarHBondContact O-N 3.29Å; A31-Y34 PolarHBondContact O-N 3.49Å; R32-Y34 VanDerWaalsContact C-N 3.33Å; R32-Y34 PolarHBondContact O-N 3.13Å; Y34-H36 PolarHBondContact O-N 2.8Å; Y34-K37 WeakPolarHBondContact O-CB 3.43Å; Y34-K37 PolarHBondContact O-N 3.41Å; Y34-T38 HydrophobicContact CD1-CG2 4.41Å; Y34-T38 HydrophobicContact CE1-CG2 4.26Å; Y34-T38 WeakPolarHBondContact O-CG2 3.4Å; Y34-T38 PolarHBondContact O-N 2.97Å; Y34-T256 HydrophobicContact CD1-CG2 3.91Å; Y34-T256 HydrophobicContact CE1-CG2 3.65Å; Y34-V257 PolarHBondContact OH-O 3.22Å; Y34-V258 HydrophobicContact CD1-CG2 4.05Å; Y34-V258 HydrophobicContact CD2-CB 4.36Å; Y34-V258 HydrophobicContact CD2-CG1 3.93Å; Y34-V258 HydrophobicContact CD2-CG2 4.48Å; Y34-V258 HydrophobicContact CG-CB 4.24Å; Y34-V258 HydrophobicContact CG-CG1 4.06Å; Y34-V258 HydrophobicContact CG-CG2 3.88Å; Y34-D260 WeakPolarHBondContact CD2-OD1 3.44Å
35L96.8Very high96.3Very high0 Ų047.9 Ų47.90%024%0.236CC..Hα-helixtrans-61.3-43.3178.9-75177.5000112.1V9 L11 A31 R32 T38 F41 V43 L197 V229 T256V9-L35 HydrophobicContact CG1-CD1 4.43Å; L11-L35 HydrophobicContact CD1-CD1 4.43Å; L11-L35 HydrophobicContact CD2-CD1 3.78Å; A31-L35 WeakPolarHBondContact O-CB 3.46Å; A31-L35 VanDerWaalsContact O-CG 3.27Å; A31-L35 WeakPolarHBondContact O-CG 3.13Å; A31-L35 PolarHBondContact O-N 3.16Å; R32-L35 PolarHBondContact O-N 3.19Å; L35-T38 WeakPolarHBondContact O-CB 3.47Å; L35-T38 PolarHBondContact O-N 3.09Å; L35-T38 PolarHBondContact O-OG1 2.86Å; L35-F41 HydrophobicContact CB-CB 4.08Å; L35-F41 HydrophobicContact CB-CD2 4.41Å; L35-F41 HydrophobicContact CD2-CD2 3.55Å; L35-F41 HydrophobicContact CD2-CE2 3.94Å; L35-F41 HydrophobicContact CD2-CG 4.11Å; L35-V43 HydrophobicContact CB-CG2 3.92Å; L35-V43 HydrophobicContact CD1-CG2 3.53Å; L35-V43 HydrophobicContact CG-CG2 4.41Å; L35-L197 HydrophobicContact CD1-CD1 4.41Å; L35-V229 HydrophobicContact CD1-CG2 4.12Å; L35-V229 HydrophobicContact CD2-CG2 4.23Å; L35-V229 HydrophobicContact CG-CG2 4.5Å; L35-T256 HydrophobicContact CD2-CG2 4.12Å
36H96.2Very high96.4Very high73 Ų7346.5 Ų46.534%0.33823%0.229SC..Hα-helixtrans-63.1-41.7175.9-72.6177000112R32 E33 Y34 T38 G39 V43R32-H36 PolarHBondContact O-N 2.99Å; E33-H36 PolarHBondContact O-N 2.77Å; Y34-H36 PolarHBondContact O-N 2.8Å; H36-T38 PolarHBondContact O-N 3.19Å; H36-G39 PolarHBondContact O-N 2.91Å; H36-V43 PolarHBondContact CD2-N 2.94Å; H36-V43 PolarHBondContact NE2-N 2.94Å; H36-V43 PolarHBondContact NE2-O 3.49Å
37K95.4Very high96.5Very high121 Ų12146.1 Ų46.153%0.52623%0.228SC..Hα-helixtrans-59.4-29.3176.2-77.4173.9-179.6171.80113.2E33 Y34 G39 D260E33-K37 HydrophobicContact CG-CD 4.28Å; E33-K37 WeakPolarHBondContact O-CB 3.35Å; E33-K37 VanDerWaalsContact O-CG 3.31Å; E33-K37 WeakPolarHBondContact O-CG 3.47Å; E33-K37 PolarHBondContact O-N 3.29Å; E33-K37 WeakPolarHBondContact OE1-CE 3.36Å; E33-K37 IonicContact OE1-NZ 3.42Å; E33-K37 PolarHBondContact OE1-NZ 2.97Å; E33-K37 IonicContact OE2-NZ 3.4Å; Y34-K37 WeakPolarHBondContact O-CB 3.43Å; Y34-K37 PolarHBondContact O-N 3.41Å; K37-G39 PolarHBondContact O-N 3.45Å; K37-D260 IonicContact NZ-OD2 2.65Å; K37-D260 PolarHBondContact NZ-OD2 3.14Å
38T93.8Very high96.6Very high55 Ų5545.1 Ų45.134%0.33722%0.223SC..THydrogen-bonded Turntrans-64.3-19.2176.173.40000113.2Y34 L35 H36 K40Y34-T38 HydrophobicContact CD1-CG2 4.41Å; Y34-T38 HydrophobicContact CE1-CG2 4.26Å; Y34-T38 WeakPolarHBondContact O-CG2 3.4Å; Y34-T38 PolarHBondContact O-N 2.97Å; L35-T38 WeakPolarHBondContact O-CB 3.47Å; L35-T38 PolarHBondContact O-N 3.09Å; L35-T38 PolarHBondContact O-OG1 2.86Å; H36-T38 PolarHBondContact O-N 3.19Å; T38-K40 PolarHBondContact O-N 3.46Å; T38-K40 VanDerWaalsContact O-N 3.16Å; T38-K40 PolarHBondContact OG1-N 3.31Å
39G93.3Very high96.6Very high38 Ų3845.1 Ų45.139%0.39222%0.223SC..SBendtrans73.7-8.9-173.700000114.6K6 H36 K37K6-G39 VanDerWaalsContact CE-O 3.28Å; K6-G39 WeakPolarHBondContact CE-O 3.37Å; H36-G39 PolarHBondContact O-N 2.91Å; K37-G39 PolarHBondContact O-N 3.45Å
40K92.3Very high96.7Very high144 Ų14441.5 Ų41.563%0.62621%0.206SC*.SBendtrans-87.5-28-176.1-60.8179.9-178.9-178.80113.5K6 T7 T38K6-K40 WeakPolarHBondContact CA-O 3.46Å; T7-K40 PolarHBondContact N-O 2.98Å; T38-K40 PolarHBondContact O-N 3.46Å; T38-K40 VanDerWaalsContact O-N 3.16Å; T38-K40 PolarHBondContact OG1-N 3.31Å
41F95.4Very high96.8Very high30 Ų3040.8 Ų40.813%0.13220%0.204CC..EExtended strand (participates in β ladder)trans-120.9146.9-169.4-59.8-74.2000112.8T7 V9 L35T7-F41 HydrophobicContact CG2-CD1 4.25Å; T7-F41 HydrophobicContact CG2-CE1 4.29Å; T7-F41 CarbonylContact O-C 3.57Å; T7-F41 VanDerWaalsContact O-CA 3.23Å; T7-F41 WeakPolarHBondContact O-CA 3.38Å; V9-F41 HydrophobicContact CG2-CB 4.32Å; V9-F41 HydrophobicContact CG2-CD1 3.5Å; V9-F41 HydrophobicContact CG2-CE1 4.2Å; V9-F41 HydrophobicContact CG2-CG 4.24Å; L35-F41 HydrophobicContact CB-CB 4.08Å; L35-F41 HydrophobicContact CB-CD2 4.41Å; L35-F41 HydrophobicContact CD2-CD2 3.55Å; L35-F41 HydrophobicContact CD2-CE2 3.94Å; L35-F41 HydrophobicContact CD2-CG 4.11Å
42I95.5Very high96.8Very high58 Ų5842 Ų4230%0.29721%0.209SC..EExtended strand (participates in β ladder)trans-118.1102.3164.7-57177.2000107.7K6 T7 H8 V9 I44K6-I42 HydrophobicContact CB-CD1 3.91Å; K6-I42 HydrophobicContact CB-CG1 3.77Å; K6-I42 HydrophobicContact CD-CD1 3.89Å; K6-I42 HydrophobicContact CD-CG1 3.67Å; K6-I42 HydrophobicContact CG-CD1 4.48Å; K6-I42 HydrophobicContact CG-CG1 4.38Å; T7-I42 PolarHBondContact O-N 3.33Å; H8-I42 CarbonylContact C-O 3.52Å; H8-I42 VanDerWaalsContact CA-O 3.29Å; H8-I42 WeakPolarHBondContact CA-O 3.26Å; V9-I42 PolarHBondContact N-O 3.28Å; I42-I44 HydrophobicContact CG2-CG2 3.86Å; I42-I44 PolarHBondContact O-N 3.33Å
43V97.3Very high96.8Very high5 Ų541.8 Ų41.83%0.0321%0.213CC..EExtended strand (participates in β ladder)trans-69.7119.5169.3-1770000109.8V9 L11 R32 L35 H36 W79V9-V43 HydrophobicContact CB-CG2 4.5Å; V9-V43 CarbonylContact O-C 3.58Å; V9-V43 VanDerWaalsContact O-CA 3.31Å; V9-V43 WeakPolarHBondContact O-CA 3.42Å; L11-V43 HydrophobicContact CD1-CG1 4.07Å; L11-V43 HydrophobicContact CD1-CG2 4.4Å; L11-V43 HydrophobicContact CG-CG1 4.07Å; R32-V43 HydrophobicContact CB-CB 4.43Å; R32-V43 HydrophobicContact CB-CG1 4.35Å; R32-V43 HydrophobicContact CB-CG2 4.45Å; R32-V43 HydrophobicContact CG-CB 3.99Å; R32-V43 HydrophobicContact CG-CG1 4.19Å; R32-V43 HydrophobicContact CG-CG2 4.38Å; L35-V43 HydrophobicContact CB-CG2 3.92Å; L35-V43 HydrophobicContact CD1-CG2 3.53Å; L35-V43 HydrophobicContact CG-CG2 4.41Å; H36-V43 PolarHBondContact CD2-N 2.94Å; H36-V43 PolarHBondContact NE2-N 2.94Å; H36-V43 PolarHBondContact NE2-O 3.49Å; V43-W79 HydrophobicContact CG1-CE3 4.1Å; V43-W79 HydrophobicContact CG1-CH2 4.48Å; V43-W79 HydrophobicContact CG1-CZ3 3.64Å
44I95.8Very high96.8Very high89 Ų8941.1 Ų41.146%0.45622%0.217SC..EExtended strand (participates in β ladder)trans-110.7-7.7-177.961168.4000113.6H8 V9 I10 I42 L194H8-I44 HydrophobicContact CB-CD1 4.32Å; H8-I44 HydrophobicContact CB-CG2 4.46Å; V9-I44 PolarHBondContact O-N 2.95Å; I10-I44 HydrophobicContact CD1-CD1 4.43Å; I10-I44 HydrophobicContact CD1-CG1 4.42Å; I10-I44 HydrophobicContact CG1-CD1 4.38Å; I10-I44 HydrophobicContact CG1-CG1 3.89Å; I42-I44 HydrophobicContact CG2-CG2 3.86Å; I42-I44 PolarHBondContact O-N 3.33Å; I44-L194 HydrophobicContact CD1-CD1 3.59Å; I44-L194 HydrophobicContact CG1-CD1 4.3Å
45G97.8Very high96.7Very high11 Ų1143.7 Ų43.711%0.11323%0.227CC..EExtended strand (participates in β ladder)trans-170.8156.3177.700000113.2I10 L11 W79I10-G45 WeakPolarHBondContact CA-O 3.48Å; L11-G45 PolarHBondContact N-O 3.09Å; G45-W79 CarbonylContact C-O 3.57Å; G45-W79 WeakPolarHBondContact CA-O 3.36Å
46G98.7Very high96.1Very high2 Ų246.7 Ų46.72%0.02126%0.258CS..EExtended strand (participates in β ladder)trans-123.7138.3170.900000110L11 W79 I80 R81L11-G46 CarbonylContact O-C 3.52Å; L11-G46 VanDerWaalsContact O-CA 3.29Å; L11-G46 WeakPolarHBondContact O-CA 3.21Å; G46-W79 PolarHBondContact N-O 3.41Å; G46-I80 CarbonylContact O-C 3.52Å; G46-I80 WeakPolarHBondContact O-CA 3.45Å; G46-R81 PolarHBondContact O-N 2.85Å
47I98.9Very high95.8Very high26 Ų2647.3 Ų47.313%0.13326%0.26CS..EExtended strand (participates in β ladder)trans-124.6124177.6-57.8175.6000108.7I10 L11 L12 S13 F28 R81 D83I10-I47 HydrophobicContact CG2-CD1 3.7Å; I10-I47 HydrophobicContact CG2-CG1 3.89Å; L11-I47 PolarHBondContact O-N 2.77Å; L12-I47 CarbonylContact C-O 3.53Å; L12-I47 WeakPolarHBondContact CA-O 3.21Å; L12-I47 HydrophobicContact CD1-CB 3.61Å; L12-I47 HydrophobicContact CD1-CG2 3.45Å; L12-I47 VanDerWaalsContact CD1-CG2 3.45Å; S13-I47 PolarHBondContact N-O 3.2Å; F28-I47 WeakPolarHBondContact CZ-O 3.32Å; I47-R81 CarbonylContact C-O 3.46Å; I47-R81 WeakPolarHBondContact CA-O 3.48Å; I47-D83 HydrophobicContact CG2-CB 3.72Å
48I98.9Very high95.7Very high0 Ų047.3 Ų47.30%027%0.272CS..EExtended strand (participates in β ladder)trans-95.7119166.9-65.1179.5000107.1F17 I20 I25 F28 P50 C70 V74 I80 R81 V82 D83F17-I48 HydrophobicContact CD1-CG2 4.27Å; F17-I48 HydrophobicContact CD2-CG2 3.96Å; F17-I48 HydrophobicContact CE1-CG2 3.97Å; F17-I48 HydrophobicContact CE2-CG2 3.65Å; F17-I48 HydrophobicContact CG-CG2 4.27Å; F17-I48 HydrophobicContact CZ-CG2 3.67Å; I20-I48 HydrophobicContact CD1-CD1 3.61Å; I25-I48 HydrophobicContact CD1-CD1 4.29Å; F28-I48 HydrophobicContact CE2-CD1 4.16Å; F28-I48 HydrophobicContact CE2-CG1 3.6Å; F28-I48 HydrophobicContact CZ-CG1 3.71Å; I48-P50 HydrophobicContact CG2-CG 4.23Å; I48-P50 WeakPolarHBondContact O-CD 3.23Å; I48-C70 HydrophobicContact CG2-CB 4.24Å; I48-V74 HydrophobicContact CD1-CG1 3.67Å; I48-I80 HydrophobicContact CD1-CG2 3.87Å; I48-I80 HydrophobicContact CG1-CG2 3.92Å; I48-R81 PolarHBondContact N-O 3.03Å; I48-V82 HydrophobicContact CB-CG2 4.41Å; I48-V82 WeakPolarHBondContact O-CA 3.46Å; I48-D83 PolarHBondContact O-N 2.89Å
49S98.8Very high95.6Very high0 Ų047.7 Ų47.70%029%0.286CS..EExtended strand (participates in β ladder)trans-112.397.7174.9-1770000110.1S13 C14 G15 F17 E86S13-S49 PolarHBondContact O-N 2.88Å; C14-S49 WeakPolarHBondContact CA-O 3.43Å; G15-S49 PolarHBondContact N-O 2.91Å; F17-S49 WeakPolarHBondContact CE2-O 3.09Å; S49-E86 WeakPolarHBondContact OG-CB 3.41Å; S49-E86 PolarHBondContact OG-OE2 2.75Å
50P98.8Very high95.8Very high0 Ų047.4 Ų47.40%028%0.276CS..EExtended strand (participates in β ladder)trans-68.5139.4174.6-21.736.4000112.4G15 F17 I48 L67 C70 V82 C87G15-P50 WeakPolarHBondContact O-CA 3.37Å; F17-P50 HydrophobicContact CD2-CB 4.03Å; F17-P50 HydrophobicContact CD2-CG 4.02Å; I48-P50 HydrophobicContact CG2-CG 4.23Å; I48-P50 WeakPolarHBondContact O-CD 3.23Å; P50-L67 HydrophobicContact CB-CD2 4.42Å; P50-L67 HydrophobicContact CG-CD2 3.88Å; P50-C70 HydrophobicContact CG-CB 4.45Å; P50-V82 HydrophobicContact CG-CG1 4.18Å; P50-C87 PolarHBondContact O-SG 2.87Å
51V98.6Very high96Very high8 Ų841.4 Ų41.45%0.04825%0.251CS..PPolyproline II helixtrans-63.9150.3-176.278.40000112.3G15 Y55 L60 R66 E86 C87G15-V51 PolarHBondContact O-N 3.24Å; V51-Y55 HydrophobicContact CG1-CD1 4.02Å; V51-Y55 HydrophobicContact CG1-CG 4.24Å; V51-Y55 HydrophobicContact CG2-CD1 4.06Å; V51-Y55 HydrophobicContact CG2-CD2 3.96Å; V51-Y55 HydrophobicContact CG2-CG 3.61Å; V51-L60 HydrophobicContact CG1-CD1 4.43Å; V51-L60 HydrophobicContact CG1-CD2 4.11Å; V51-R66 VanDerWaalsContact O-CZ 3.25Å; V51-R66 PolarHBondContact O-NH1 2.96Å; V51-R66 PolarHBondContact O-NH2 3.41Å; V51-E86 VanDerWaalsContact CA-OE1 3.27Å; V51-E86 WeakPolarHBondContact CA-OE1 3.45Å; V51-E86 VanDerWaalsContact CG2-OE1 3.27Å; V51-E86 WeakPolarHBondContact CG2-OE1 3.35Å; V51-C87 PolarHBondContact O-SG 3.41Å; V51-C87 VanDerWaalsContact O-SG 3.41Å
52H98.6Very high96.1Very high25 Ų2542.6 Ų42.612%0.11626%0.262CS..PPolyproline II helixtrans-61.6152.4170.8-171.3-102.1000113.1S54 Y55 C87 Q89 W92H52-S54 VanDerWaalsContact C-N 3.31Å; H52-S54 VanDerWaalsContact ND1-CB 3.32Å; H52-S54 WeakPolarHBondContact ND1-CB 3.46Å; H52-S54 PolarHBondContact ND1-N 3.12Å; H52-S54 PolarHBondContact ND1-OG 3.36Å; H52-S54 PolarHBondContact O-N 2.94Å; H52-Y55 WeakPolarHBondContact O-CB 3.33Å; H52-Y55 PolarHBondContact O-N 3.34Å; H52-Y55 VanDerWaalsContact O-N 3.13Å; H52-C87 PolarHBondContact CD2-O 3.49Å; H52-Q89 PolarHBondContact CD2-O 2.97Å; H52-Q89 VanDerWaalsContact CD2-O 3.27Å; H52-Q89 PolarHBondContact NE2-O 2.89Å; H52-W92 HydrophobicContact CB-CB 4.36Å; H52-W92 PolarHBondContact ND1-N 2.93Å
53D97.6Very high96.2Very high61 Ų6140.6 Ų40.633%0.32625%0.253SS..G310 helixtrans-66.7-30-178-73.9-25.2000113.5Y55 G56 S63 R66D53-Y55 PolarHBondContact O-N 3.47Å; D53-Y55 VanDerWaalsContact O-N 3.11Å; D53-G56 PolarHBondContact O-N 3.32Å; D53-S63 WeakPolarHBondContact OD1-CA 3.32Å; D53-S63 WeakPolarHBondContact OD1-CB 3.47Å; D53-S63 PolarHBondContact OD1-N 3.3Å; D53-S63 WeakPolarHBondContact OD2-CB 3.48Å; D53-S63 PolarHBondContact OD2-N 2.91Å; D53-S63 PolarHBondContact OD2-OG 3.39Å; D53-R66 IonicContact OD1-CZ 2.81Å; D53-R66 IonicContact OD1-NH2 3.4Å; D53-R66 PolarHBondContact OD1-NH2 2.99Å
54S97.3Very high96.3Very high66 Ų6648.2 Ų48.246%0.46228%0.281SS..G310 helixtrans-72.43.1175.483.40000113.8H52 G56 W92H52-S54 VanDerWaalsContact C-N 3.31Å; H52-S54 VanDerWaalsContact ND1-CB 3.32Å; H52-S54 WeakPolarHBondContact ND1-CB 3.46Å; H52-S54 PolarHBondContact ND1-N 3.12Å; H52-S54 PolarHBondContact ND1-OG 3.36Å; H52-S54 PolarHBondContact O-N 2.94Å; S54-G56 PolarHBondContact O-N 3.09Å; S54-W92 VanDerWaalsContact OG-CB 3.29Å; S54-W92 WeakPolarHBondContact OG-CB 3.14Å; S54-W92 PolarHBondContact OG-N 3.36Å
55Y94.9Very high96.4Very high106 Ų10645.2 Ų45.242%0.41627%0.265SS..G310 helixtrans-59.6-24.6170.7-179.1-121.3000112.1V51 H52 D53 K57 W92V51-Y55 HydrophobicContact CG1-CD1 4.02Å; V51-Y55 HydrophobicContact CG1-CG 4.24Å; V51-Y55 HydrophobicContact CG2-CD1 4.06Å; V51-Y55 HydrophobicContact CG2-CD2 3.96Å; V51-Y55 HydrophobicContact CG2-CG 3.61Å; H52-Y55 WeakPolarHBondContact O-CB 3.33Å; H52-Y55 PolarHBondContact O-N 3.34Å; H52-Y55 VanDerWaalsContact O-N 3.13Å; D53-Y55 PolarHBondContact O-N 3.47Å; D53-Y55 VanDerWaalsContact O-N 3.11Å; Y55-K57 VanDerWaalsContact C-N 3.3Å; Y55-K57 HydrophobicContact CD1-CB 3.65Å; Y55-K57 HydrophobicContact CE1-CB 3.79Å; Y55-K57 HydrophobicContact CE1-CD 4.16Å; Y55-K57 PolarHBondContact O-N 3.26Å; Y55-W92 AromaticContact CD2-CD1 3.64Å; Y55-W92 HydrophobicContact CD2-CD2 4.43Å; Y55-W92 AromaticContact CD2-CE2 3.89Å; Y55-W92 HydrophobicContact CD2-CG 4.27Å; Y55-W92 AromaticContact CD2-NE1 3.37Å; Y55-W92 AromaticContact CE2-NE1 3.98Å
56G84.6Confident96.4Very high62 Ų6244.7 Ų44.764%0.63926%0.26SS*.  trans72.718.6168.800000114.7D53 S54D53-G56 PolarHBondContact O-N 3.32Å; S54-G56 PolarHBondContact O-N 3.09Å
57K90.8Very high96.5Very high87 Ų8745.1 Ų45.138%0.37826%0.261SS..  trans-66.5129.3174.2-179.6174.2-175.8165.40110.4S16 Y55 G59 L60S16-K57 VanDerWaalsContact OG-CD 3.32Å; S16-K57 WeakPolarHBondContact OG-CD 3.38Å; S16-K57 PolarHBondContact OG-NZ 3.12Å; Y55-K57 VanDerWaalsContact C-N 3.3Å; Y55-K57 HydrophobicContact CD1-CB 3.65Å; Y55-K57 HydrophobicContact CE1-CB 3.79Å; Y55-K57 HydrophobicContact CE1-CD 4.16Å; Y55-K57 PolarHBondContact O-N 3.26Å; K57-G59 PolarHBondContact O-N 3.38Å; K57-L60 HydrophobicContact CB-CB 4.26Å; K57-L60 WeakPolarHBondContact O-CB 3.43Å; K57-L60 PolarHBondContact O-N 3Å; K57-L60 VanDerWaalsContact O-N 3.12Å
58P91.9Very high96.4Very high121 Ų12146 Ų4679%0.78627%0.268SS*.THydrogen-bonded Turntrans-54.8133.6176.2-27.835.5000112.5L60P58-L60 VanDerWaalsContact C-N 3.26Å; P58-L60 PolarHBondContact O-N 3.1Å
59G92.1Very high96.4Very high62 Ų6246 Ų4664%0.63927%0.268SS*.THydrogen-bonded Turntrans70.214.8-179.600000115.1N18 K57 V61N18-G59 PolarHBondContact ND2-O 3.12Å; K57-G59 PolarHBondContact O-N 3.38Å; G59-V61 PolarHBondContact O-N 2.76Å
60L96.4Very high96.4Very high32 Ų3246 Ų4617%0.16827%0.268CS..PPolyproline II helixtrans-69.1117.8173.5-172.266.8000110N18 V51 K57 P58N18-L60 HydrophobicContact CB-CD1 3.96Å; V51-L60 HydrophobicContact CG1-CD1 4.43Å; V51-L60 HydrophobicContact CG1-CD2 4.11Å; K57-L60 HydrophobicContact CB-CB 4.26Å; K57-L60 WeakPolarHBondContact O-CB 3.43Å; K57-L60 PolarHBondContact O-N 3Å; K57-L60 VanDerWaalsContact O-N 3.12Å; P58-L60 VanDerWaalsContact C-N 3.26Å; P58-L60 PolarHBondContact O-N 3.1Å
61V97.1Very high96.4Very high18 Ų1850.8 Ų50.811%0.10929%0.291CS..PPolyproline II helixtrans-76.2156.7174.1-52.20000110.3N18 G59 H65 R66 M69 Y303N18-V61 WeakPolarHBondContact OD1-CG2 3.43Å; N18-V61 PolarHBondContact OD1-N 3.16Å; G59-V61 PolarHBondContact O-N 2.76Å; V61-H65 HydrophobicContact CG2-CB 4.06Å; V61-R66 HydrophobicContact CG2-CG 3.57Å; V61-R66 WeakPolarHBondContact O-CD 3.45Å; V61-R66 PolarHBondContact O-NE 3.28Å; V61-M69 HydrophobicContact CG2-CE 4.19Å; V61-Y303 HydrophobicContact CB-CE1 4.5Å; V61-Y303 HydrophobicContact CG1-CD1 4Å; V61-Y303 HydrophobicContact CG1-CE1 3.36Å; V61-Y303 HydrophobicContact CG2-CE1 4.41Å; V61-Y303 WeakPolarHBondContact CG2-OH 3.47Å
62P97.9Very high96.5Very high55 Ų5552.5 Ų52.536%0.35730%0.299SS..PPolyproline II helixtrans-52.6141.7-179-28.233.8000113.9R64 H65 R66P62-R64 HydrophobicContact CB-CG 4.2Å; P62-R64 PolarHBondContact O-N 3.27Å; P62-R64 VanDerWaalsContact O-N 3.16Å; P62-H65 WeakPolarHBondContact O-CB 3.38Å; P62-H65 PolarHBondContact O-N 3.14Å; P62-R66 PolarHBondContact O-N 2.93Å
63S98.1Very high96.5Very high17 Ų1751.6 Ų51.612%0.11930%0.296CS..Hα-helixtrans-50.9-40.5-176.751.40000112.9D53 H65 R66 L67 C87D53-S63 WeakPolarHBondContact OD1-CA 3.32Å; D53-S63 WeakPolarHBondContact OD1-CB 3.47Å; D53-S63 PolarHBondContact OD1-N 3.3Å; D53-S63 WeakPolarHBondContact OD2-CB 3.48Å; D53-S63 PolarHBondContact OD2-N 2.91Å; D53-S63 PolarHBondContact OD2-OG 3.39Å; S63-H65 PolarHBondContact O-N 2.86Å; S63-R66 VanDerWaalsContact CA-NH2 3.27Å; S63-R66 PolarHBondContact O-N 3.38Å; S63-L67 WeakPolarHBondContact O-CB 3.34Å; S63-L67 WeakPolarHBondContact O-CG 3.33Å; S63-L67 PolarHBondContact O-N 2.84Å; S63-C87 VanDerWaalsContact CB-SG 3.57Å
64R98.3Very high96.5Very high165 Ų16549.3 Ų49.362%0.62328%0.284SS*.Hα-helixtrans-51.1-42.4174.971.2-176.1-178-147.7-1.2112.9P62 T68P62-R64 HydrophobicContact CB-CG 4.2Å; P62-R64 PolarHBondContact O-N 3.27Å; P62-R64 VanDerWaalsContact O-N 3.16Å; R64-T68 PolarHBondContact O-N 3.4Å; R64-T68 VanDerWaalsContact O-N 3.12Å; R64-T68 PolarHBondContact O-OG1 3.42Å
65H98.6Very high96.5Very high26 Ų2652.1 Ų52.112%0.1229%0.29CS..Hα-helixtrans-72.8-41.3-179.5-66.3-63.2000110.6V61 P62 S63 T68 M69 Y296 L302V61-H65 HydrophobicContact CG2-CB 4.06Å; P62-H65 WeakPolarHBondContact O-CB 3.38Å; P62-H65 PolarHBondContact O-N 3.14Å; S63-H65 PolarHBondContact O-N 2.86Å; H65-T68 PolarHBondContact O-N 2.98Å; H65-M69 HydrophobicContact CB-CE 4.34Å; H65-M69 WeakPolarHBondContact O-CB 3.27Å; H65-M69 WeakPolarHBondContact O-CE 3.23Å; H65-M69 WeakPolarHBondContact O-CG 3.29Å; H65-M69 PolarHBondContact O-N 3.48Å; H65-Y296 HydrophobicContact CB-CE1 4.22Å; H65-Y296 AromaticContact ND1-CE1 3.88Å; H65-Y296 AromaticContact ND1-CZ 3.73Å; H65-Y296 PolarHBondContact ND1-OH 2.8Å; H65-L302 HydrophobicContact CB-CD1 3.78Å
66R98.8Very high96.5Very high0 Ų052.4 Ų52.40%031%0.308CS..Hα-helixtrans-65.1-43.1179.3-60.6-176.8-69.7101.4-0.9111.2S16 V51 D53 V61 P62 S63 M69 C70S16-R66 VanDerWaalsContact O-CD 3.28Å; S16-R66 WeakPolarHBondContact O-CD 3.29Å; S16-R66 PolarHBondContact O-NH1 2.76Å; S16-R66 VanDerWaalsContact O-NH1 3.08Å; V51-R66 VanDerWaalsContact O-CZ 3.25Å; V51-R66 PolarHBondContact O-NH1 2.96Å; V51-R66 PolarHBondContact O-NH2 3.41Å; D53-R66 IonicContact OD1-CZ 2.81Å; D53-R66 IonicContact OD1-NH2 3.4Å; D53-R66 PolarHBondContact OD1-NH2 2.99Å; V61-R66 HydrophobicContact CG2-CG 3.57Å; V61-R66 WeakPolarHBondContact O-CD 3.45Å; V61-R66 PolarHBondContact O-NE 3.28Å; P62-R66 PolarHBondContact O-N 2.93Å; S63-R66 VanDerWaalsContact CA-NH2 3.27Å; S63-R66 PolarHBondContact O-N 3.38Å; R66-M69 HydrophobicContact CG-CE 4.12Å; R66-M69 PolarHBondContact O-N 3.11Å; R66-C70 WeakPolarHBondContact O-CB 3.45Å; R66-C70 PolarHBondContact O-N 3.45Å; R66-C70 PolarHBondContact O-SG 3.07Å
67L98.8Very high97.1Very high10 Ų1051.1 Ų51.15%0.05229%0.289CS..Hα-helixtrans-57.5-49.3172.6-73.6168.2000111.6P50 S63 M69 C70 Q71 V82 P84 C87 Y88P50-L67 HydrophobicContact CB-CD2 4.42Å; P50-L67 HydrophobicContact CG-CD2 3.88Å; S63-L67 WeakPolarHBondContact O-CB 3.34Å; S63-L67 WeakPolarHBondContact O-CG 3.33Å; S63-L67 PolarHBondContact O-N 2.84Å; L67-M69 PolarHBondContact O-N 3.36Å; L67-C70 PolarHBondContact O-N 2.98Å; L67-Q71 VanDerWaalsContact O-CG 3.3Å; L67-Q71 WeakPolarHBondContact O-CG 3.42Å; L67-Q71 PolarHBondContact O-N 2.98Å; L67-V82 HydrophobicContact CD2-CG1 3.86Å; L67-P84 HydrophobicContact CD1-CB 4.07Å; L67-P84 HydrophobicContact CD2-CB 3.88Å; L67-C87 HydrophobicContact CD1-CB 3.89Å; L67-C87 HydrophobicContact CG-CB 4.49Å; L67-Y88 HydrophobicContact CD1-CE1 4.26Å
68T98.8Very high97.4Very high44 Ų4453.4 Ų53.427%0.2731%0.305SS..Hα-helixtrans-61.6-45.4177.3-58.20000112R64 H65 C70 Q71 L72 Y296R64-T68 PolarHBondContact O-N 3.4Å; R64-T68 VanDerWaalsContact O-N 3.12Å; R64-T68 PolarHBondContact O-OG1 3.42Å; H65-T68 PolarHBondContact O-N 2.98Å; T68-C70 PolarHBondContact O-N 3.47Å; T68-Q71 PolarHBondContact O-N 2.83Å; T68-L72 HydrophobicContact CG2-CD1 3.94Å; T68-L72 HydrophobicContact CG2-CG 4.37Å; T68-L72 WeakPolarHBondContact O-CB 3.12Å; T68-L72 VanDerWaalsContact O-CG 3.31Å; T68-L72 WeakPolarHBondContact O-CG 3.49Å; T68-L72 PolarHBondContact O-N 3.33Å; T68-Y296 HydrophobicContact CG2-CD2 3.79Å; T68-Y296 HydrophobicContact CG2-CE1 4.29Å; T68-Y296 HydrophobicContact CG2-CE2 3.41Å; T68-Y296 VanDerWaalsContact CG2-CE2 3.41Å; T68-Y296 HydrophobicContact CG2-CG 4.37Å
69M98.8Very high97.7Very high0 Ų048.4 Ų48.40%027%0.271CS..Hα-helixtrans-61.8-42176.5-71.8-176.8-68.800112P19 I20 V61 H65 R66 L67 L72 A73 V293 Y296 I297 L302 Y303P19-M69 HydrophobicContact CB-CE 4.06Å; P19-M69 HydrophobicContact CB-SD 3.65Å; I20-M69 HydrophobicContact CG2-CB 4.16Å; I20-M69 WeakPolarHBondContact CG2-O 3.49Å; V61-M69 HydrophobicContact CG2-CE 4.19Å; H65-M69 HydrophobicContact CB-CE 4.34Å; H65-M69 WeakPolarHBondContact O-CB 3.27Å; H65-M69 WeakPolarHBondContact O-CE 3.23Å; H65-M69 WeakPolarHBondContact O-CG 3.29Å; H65-M69 PolarHBondContact O-N 3.48Å; R66-M69 HydrophobicContact CG-CE 4.12Å; R66-M69 PolarHBondContact O-N 3.11Å; L67-M69 PolarHBondContact O-N 3.36Å; M69-L72 PolarHBondContact O-N 3.41Å; M69-A73 WeakPolarHBondContact O-CB 3.48Å; M69-A73 PolarHBondContact O-N 3.4Å; M69-V293 HydrophobicContact CB-CG1 4.09Å; M69-V293 HydrophobicContact CG-CG1 4.01Å; M69-V293 WeakPolarHBondContact O-CG2 3.38Å; M69-V293 HydrophobicContact SD-CG1 4.13Å; M69-Y296 HydrophobicContact CG-CD1 3.54Å; M69-Y296 HydrophobicContact CG-CE1 3.94Å; M69-Y296 HydrophobicContact SD-CD1 4.34Å; M69-I297 HydrophobicContact SD-CD1 3.78Å; M69-I297 HydrophobicContact SD-CG1 3.5Å; M69-I297 VanDerWaalsContact SD-CG1 3.5Å; M69-L302 HydrophobicContact CE-CD1 4.34Å; M69-L302 HydrophobicContact SD-CD1 4.39Å; M69-Y303 HydrophobicContact CE-CE2 4.31Å; M69-Y303 WeakPolarHBondContact CE-OH 3.33Å; M69-Y303 HydrophobicContact SD-CE2 4.24Å
70C98.8Very high98Very high0 Ų045.7 Ų45.70%024%0.241CC..Hα-helixtrans-59.6-45.7174.3-72.20000111.5F17 I20 I48 P50 R66 L67 T68 A73 V74 V82F17-C70 VanDerWaalsContact CB-SG 3.54Å; I20-C70 HydrophobicContact CD1-CB 4.28Å; I48-C70 HydrophobicContact CG2-CB 4.24Å; P50-C70 HydrophobicContact CG-CB 4.45Å; R66-C70 WeakPolarHBondContact O-CB 3.45Å; R66-C70 PolarHBondContact O-N 3.45Å; R66-C70 PolarHBondContact O-SG 3.07Å; L67-C70 PolarHBondContact O-N 2.98Å; T68-C70 PolarHBondContact O-N 3.47Å; C70-A73 PolarHBondContact O-N 3.43Å; C70-V74 WeakPolarHBondContact O-CG2 3.35Å; C70-V74 PolarHBondContact O-N 3.01Å; C70-V82 HydrophobicContact CB-CB 4.43Å; C70-V82 HydrophobicContact CB-CG1 3.91Å; C70-V82 HydrophobicContact CB-CG2 3.6Å
71Q98.8Very high98.1Very high102 Ų10253.1 Ų53.148%0.47727%0.267SS..Hα-helixtrans-62.8-45.8178.9-73.3169.1-14.800111.5L67 T68 A73 V74 Q75 V82L67-Q71 VanDerWaalsContact O-CG 3.3Å; L67-Q71 WeakPolarHBondContact O-CG 3.42Å; L67-Q71 PolarHBondContact O-N 2.98Å; T68-Q71 PolarHBondContact O-N 2.83Å; Q71-A73 VanDerWaalsContact C-N 3.27Å; Q71-A73 PolarHBondContact O-N 3.27Å; Q71-V74 PolarHBondContact O-N 3.33Å; Q71-Q75 PolarHBondContact O-N 3.41Å; Q71-V82 HydrophobicContact CG-CB 4.1Å; Q71-V82 HydrophobicContact CG-CG2 4.02Å
72L98.8Very high98.2Very high44 Ų4453.4 Ų53.423%0.2327%0.269CS..Hα-helixtrans-62.4-34.5176.3-70.5170000112.4T68 M69 Q75 T292 V293 Y296T68-L72 HydrophobicContact CG2-CD1 3.94Å; T68-L72 HydrophobicContact CG2-CG 4.37Å; T68-L72 WeakPolarHBondContact O-CB 3.12Å; T68-L72 VanDerWaalsContact O-CG 3.31Å; T68-L72 WeakPolarHBondContact O-CG 3.49Å; T68-L72 PolarHBondContact O-N 3.33Å; M69-L72 PolarHBondContact O-N 3.41Å; L72-Q75 WeakPolarHBondContact O-CG 3.08Å; L72-T292 PolarHBondContact O-OG1 2.83Å; L72-V293 HydrophobicContact CB-CG2 4.26Å; L72-Y296 HydrophobicContact CD1-CD2 4.08Å; L72-Y296 HydrophobicContact CD1-CG 3.91Å
73A98.5Very high98.2Very high6 Ų652.6 Ų52.65%0.0526%0.262CS..Hα-helixtrans-71.5-28.9179.200000113.4I20 I25 M69 C70 Q71 N290 V293I20-A73 HydrophobicContact CD1-CB 3.96Å; I20-A73 HydrophobicContact CG1-CB 4.28Å; I20-A73 HydrophobicContact CG2-CB 3.59Å; I25-A73 HydrophobicContact CD1-CB 4.42Å; M69-A73 WeakPolarHBondContact O-CB 3.48Å; M69-A73 PolarHBondContact O-N 3.4Å; C70-A73 PolarHBondContact O-N 3.43Å; Q71-A73 VanDerWaalsContact C-N 3.27Å; Q71-A73 PolarHBondContact O-N 3.27Å; A73-N290 PolarHBondContact O-ND2 3.13Å; A73-V293 HydrophobicContact CB-CG2 3.87Å
74V98.3Very high98.2Very high12 Ų1253.6 Ų53.67%0.07327%0.268CS..Hα-helixtrans-107.97.9-178.9-550000113.5I25 I48 C70 Q71 S76 S77 I80 V82I25-V74 HydrophobicContact CD1-CG1 3.64Å; I48-V74 HydrophobicContact CD1-CG1 3.67Å; C70-V74 WeakPolarHBondContact O-CG2 3.35Å; C70-V74 PolarHBondContact O-N 3.01Å; Q71-V74 PolarHBondContact O-N 3.33Å; V74-S76 PolarHBondContact O-N 3.33Å; V74-S77 VanDerWaalsContact O-CB 3.3Å; V74-S77 WeakPolarHBondContact O-CB 3.34Å; V74-S77 PolarHBondContact O-N 3.13Å; V74-I80 HydrophobicContact CB-CB 4.47Å; V74-I80 HydrophobicContact CB-CG2 4.45Å; V74-I80 HydrophobicContact CG1-CB 4.28Å; V74-I80 HydrophobicContact CG1-CG2 3.86Å; V74-V82 HydrophobicContact CG2-CG2 3.83Å
75Q96.9Very high98.3Very high125 Ų12548.2 Ų48.258%0.58425%0.248SC*.THydrogen-bonded Turntrans-56.9-27.1-175.970.2-178-6.200114.2Q71 L72Q71-Q75 PolarHBondContact O-N 3.41Å; L72-Q75 WeakPolarHBondContact O-CG 3.08Å
76S95.4Very high98.3Very high113 Ų11347.3 Ų47.379%0.7924%0.243SC*.THydrogen-bonded Turntrans-97-1.3177.562.60000113.4V74V74-S76 PolarHBondContact O-N 3.33Å
77S97.6Very high98.2Very high34 Ų3447.7 Ų47.724%0.23825%0.246CC..  trans-82.3134.6175.9-172.80000109.7V74 W79 I80V74-S77 VanDerWaalsContact O-CB 3.3Å; V74-S77 WeakPolarHBondContact O-CB 3.34Å; V74-S77 PolarHBondContact O-N 3.13Å; S77-W79 PolarHBondContact OG-N 3.19Å; S77-I80 WeakPolarHBondContact OG-CB 3.27Å; S77-I80 WeakPolarHBondContact OG-CG1 3.41Å; S77-I80 PolarHBondContact OG-N 3.34Å
78D97.3Very high98.2Very high135 Ų13555.2 Ų55.272%0.72228%0.275SS*.SBendtrans-88.6-12.4175.363.3-12.5000113.1
79W98.3Very high98.2Very high17 Ų1755.7 Ų55.76%0.06427%0.274CS..SBendtrans-128.7-18.3-169.277.3-80.1000114.6L11 F28 E29 R32 V43 G45 G46 S77L11-W79 HydrophobicContact CD1-CH2 4.24Å; L11-W79 HydrophobicContact CD1-CZ3 4.3Å; F28-W79 HydrophobicContact CB-CH2 3.72Å; F28-W79 HydrophobicContact CB-CZ2 3.82Å; F28-W79 AromaticContact CD1-CH2 3.88Å; F28-W79 HydrophobicContact CD1-CH2 3.88Å; F28-W79 HydrophobicContact CD1-CZ3 4.23Å; F28-W79 HydrophobicContact CG-CH2 4.3Å; F28-W79 WeakPolarHBondContact O-CH2 3.49Å; E29-W79 PolarHBondContact OE1-NE1 2.89Å; E29-W79 PolarHBondContact OE2-NE1 3.4Å; R32-W79 HydrophobicContact CB-CH2 3.65Å; R32-W79 HydrophobicContact CB-CZ2 3.93Å; R32-W79 HydrophobicContact CB-CZ3 4.28Å; R32-W79 HydrophobicContact CG-CH2 4.3Å; R32-W79 HydrophobicContact CG-CZ2 4.4Å; V43-W79 HydrophobicContact CG1-CE3 4.1Å; V43-W79 HydrophobicContact CG1-CH2 4.48Å; V43-W79 HydrophobicContact CG1-CZ3 3.64Å; G45-W79 CarbonylContact C-O 3.57Å; G45-W79 WeakPolarHBondContact CA-O 3.36Å; G46-W79 PolarHBondContact N-O 3.41Å; S77-W79 PolarHBondContact OG-N 3.19Å
80I98.6Very high98.1Very high4 Ų463.3 Ų63.32%0.02132%0.315CS..EExtended strand (participates in β ladder)trans-100131.2176.9-51.1169.9000109.3F28 G46 I48 V74 S77F28-I80 HydrophobicContact CB-CD1 3.55Å; F28-I80 HydrophobicContact CB-CG1 4.32Å; F28-I80 HydrophobicContact CD1-CD1 4.35Å; F28-I80 HydrophobicContact CD1-CG1 4.32Å; F28-I80 HydrophobicContact CD1-CG2 4.46Å; F28-I80 HydrophobicContact CD2-CD1 4.48Å; F28-I80 HydrophobicContact CE1-CG2 4.47Å; F28-I80 HydrophobicContact CG-CD1 3.91Å; F28-I80 HydrophobicContact CG-CG1 4.37Å; G46-I80 CarbonylContact O-C 3.52Å; G46-I80 WeakPolarHBondContact O-CA 3.45Å; I48-I80 HydrophobicContact CD1-CG2 3.87Å; I48-I80 HydrophobicContact CG1-CG2 3.92Å; V74-I80 HydrophobicContact CB-CB 4.47Å; V74-I80 HydrophobicContact CB-CG2 4.45Å; V74-I80 HydrophobicContact CG1-CB 4.28Å; V74-I80 HydrophobicContact CG1-CG2 3.86Å; S77-I80 WeakPolarHBondContact OG-CB 3.27Å; S77-I80 WeakPolarHBondContact OG-CG1 3.41Å; S77-I80 PolarHBondContact OG-N 3.34Å
81R98.2Very high98Very high188 Ų18867.3 Ų67.371%0.70934%0.339SS*.EExtended strand (participates in β ladder)trans-126.9159.9176.6-59.8-175.3-175.9162.23110.8G46 I47 I48G46-R81 PolarHBondContact O-N 2.85Å; I47-R81 CarbonylContact C-O 3.46Å; I47-R81 WeakPolarHBondContact CA-O 3.48Å; I48-R81 PolarHBondContact N-O 3.03Å
82V98.8Very high98Very high25 Ų2567.6 Ų67.615%0.15234%0.336CS..EExtended strand (participates in β ladder)trans-102.2128.9171.8-173.20000108.1I48 P50 L67 C70 Q71 V74I48-V82 HydrophobicContact CB-CG2 4.41Å; I48-V82 WeakPolarHBondContact O-CA 3.46Å; P50-V82 HydrophobicContact CG-CG1 4.18Å; L67-V82 HydrophobicContact CD2-CG1 3.86Å; C70-V82 HydrophobicContact CB-CB 4.43Å; C70-V82 HydrophobicContact CB-CG1 3.91Å; C70-V82 HydrophobicContact CB-CG2 3.6Å; Q71-V82 HydrophobicContact CG-CB 4.1Å; Q71-V82 HydrophobicContact CG-CG2 4.02Å; V74-V82 HydrophobicContact CG2-CG2 3.83Å
83D98.6Very high97.9Very high38 Ų3867.5 Ų67.520%0.20333%0.334CS..  trans-109.2123.2172.8-162.5-56.3000110I47 I48 W85 H102I47-D83 HydrophobicContact CG2-CB 3.72Å; I48-D83 PolarHBondContact O-N 2.89Å; D83-W85 VanDerWaalsContact C-N 3.32Å; D83-W85 WeakPolarHBondContact OD1-CB 3.46Å; D83-W85 PolarHBondContact OD1-N 3.16Å; D83-H102 VanDerWaalsContact CG-CE1 3.47Å; D83-H102 IonicContact OD2-CE1 3Å; D83-H102 PolarHBondContact OD2-CE1 3.36Å
84P98.4Very high97.9Very high38 Ų3868.4 Ų68.425%0.24734%0.339CS..  trans-84.2-1.6-178.235.6-36.7000113.9L67 E86 C87 Y88L67-P84 HydrophobicContact CD1-CB 4.07Å; L67-P84 HydrophobicContact CD2-CB 3.88Å; P84-E86 VanDerWaalsContact C-N 3.31Å; P84-E86 PolarHBondContact O-N 2.86Å; P84-C87 WeakPolarHBondContact O-CA 3.29Å; P84-C87 WeakPolarHBondContact O-CB 3.31Å; P84-C87 PolarHBondContact O-N 3.14Å; P84-Y88 HydrophobicContact CB-CD2 4.13Å; P84-Y88 HydrophobicContact CB-CE1 4.26Å; P84-Y88 HydrophobicContact CB-CE2 3.85Å; P84-Y88 HydrophobicContact CB-CG 4.47Å; P84-Y88 HydrophobicContact CG-CD2 4.23Å; P84-Y88 HydrophobicContact CG-CE2 3.89Å; P84-Y88 PolarHBondContact O-N 2.95Å; P84-Y88 VanDerWaalsContact O-N 3.13Å
85W98.6Very high97.9Very high52 Ų5268.8 Ų68.820%0.19734%0.342CS..THydrogen-bonded Turntrans-50.8-47.9-169.2175.181.8000113D83 C87 Y88 Q89 Q93 V98 H101D83-W85 VanDerWaalsContact C-N 3.32Å; D83-W85 WeakPolarHBondContact OD1-CB 3.46Å; D83-W85 PolarHBondContact OD1-N 3.16Å; W85-C87 VanDerWaalsContact C-N 3.34Å; W85-C87 PolarHBondContact O-N 2.87Å; W85-Y88 PolarHBondContact O-N 3.29Å; W85-Y88 VanDerWaalsContact O-N 3.13Å; W85-Q89 HydrophobicContact CH2-CG 4.28Å; W85-Q89 HydrophobicContact CZ2-CG 4.14Å; W85-Q89 VanDerWaalsContact NE1-NE2 3.13Å; W85-Q89 WeakPolarHBondContact O-CG 3.28Å; W85-Q89 PolarHBondContact O-N 2.99Å; W85-Q89 PolarHBondContact O-NE2 2.78Å; W85-Q93 HydrophobicContact CH2-CG 4.18Å; W85-Q93 HydrophobicContact CZ3-CG 4.29Å; W85-V98 HydrophobicContact CZ3-CB 4.28Å; W85-V98 HydrophobicContact CZ3-CG1 4.48Å; W85-V98 HydrophobicContact CZ3-CG2 3.98Å; W85-H101 AromaticContact CD1-CD2 3.98Å; W85-H101 AromaticContact CD1-CE1 3.26Å; W85-H101 AromaticContact CD1-ND1 3.81Å; W85-H101 AromaticContact CD1-NE2 3.4Å; W85-H101 HydrophobicContact CD2-CB 4.18Å; W85-H101 AromaticContact CD2-CD2 3.45Å; W85-H101 VanDerWaalsContact CD2-CD2 3.45Å; W85-H101 AromaticContact CD2-CE1 3.86Å; W85-H101 AromaticContact CD2-CG 3.49Å; W85-H101 VanDerWaalsContact CD2-CG 3.49Å; W85-H101 AromaticContact CD2-ND1 3.76Å; W85-H101 AromaticContact CD2-NE2 3.73Å; W85-H101 AromaticContact CE2-CD2 3.82Å; W85-H101 AromaticContact CE2-CE1 3.59Å; W85-H101 AromaticContact CE2-CG 3.41Å; W85-H101 VanDerWaalsContact CE2-CG 3.41Å; W85-H101 AromaticContact CE2-ND1 3.26Å; W85-H101 VanDerWaalsContact CE2-ND1 3.26Å; W85-H101 AromaticContact CE2-NE2 3.96Å; W85-H101 HydrophobicContact CE3-CB 4.05Å; W85-H101 AromaticContact CE3-CD2 3.82Å; W85-H101 AromaticContact CE3-CG 3.82Å; W85-H101 AromaticContact CG-CD2 3.59Å; W85-H101 AromaticContact CG-CE1 3.68Å; W85-H101 AromaticContact CG-NE2 3.39Å; W85-H101 HydrophobicContact CH2-CB 3.72Å; W85-H101 HydrophobicContact CZ2-CB 3.84Å; W85-H101 AromaticContact CZ2-CG 3.69Å; W85-H101 AromaticContact CZ2-ND1 3.63Å; W85-H101 HydrophobicContact CZ3-CB 3.83Å; W85-H101 AromaticContact NE1-CE1 3.19Å; W85-H101 PolarHBondContact NE1-CE1 3.4Å; W85-H101 AromaticContact NE1-CG 3.86Å; W85-H101 AromaticContact NE1-ND1 3.29Å; W85-H101 PolarHBondContact NE1-ND1 3.46Å; W85-H101 AromaticContact NE1-NE2 3.74Å
86E98.6Very high98Very high6 Ų663.1 Ų63.13%0.02832%0.316CS..G310 helixtrans-61.6-40.8179.5-174.5-176.1167.200112.2S49 V51 P84 Y88 Q89 Q93 V98S49-E86 WeakPolarHBondContact OG-CB 3.41Å; S49-E86 PolarHBondContact OG-OE2 2.75Å; V51-E86 VanDerWaalsContact CA-OE1 3.27Å; V51-E86 WeakPolarHBondContact CA-OE1 3.45Å; V51-E86 VanDerWaalsContact CG2-OE1 3.27Å; V51-E86 WeakPolarHBondContact CG2-OE1 3.35Å; P84-E86 VanDerWaalsContact C-N 3.31Å; P84-E86 PolarHBondContact O-N 2.86Å; E86-Y88 PolarHBondContact O-N 3.25Å; E86-Q89 PolarHBondContact O-N 3.05Å; E86-Q93 HydrophobicContact CG-CB 4.42Å; E86-V98 HydrophobicContact CB-CG2 4.27Å; E86-V98 HydrophobicContact CG-CG2 3.98Å
87C98Very high98.2Very high8 Ų859.6 Ų59.65%0.05429%0.291CS..G310 helixtrans-68.3-20.4177.9-74.70000113.5P50 V51 H52 S63 L67 P84 W85P50-C87 PolarHBondContact O-SG 2.87Å; V51-C87 PolarHBondContact O-SG 3.41Å; V51-C87 VanDerWaalsContact O-SG 3.41Å; H52-C87 PolarHBondContact CD2-O 3.49Å; S63-C87 VanDerWaalsContact CB-SG 3.57Å; L67-C87 HydrophobicContact CD1-CB 3.89Å; L67-C87 HydrophobicContact CG-CB 4.49Å; P84-C87 WeakPolarHBondContact O-CA 3.29Å; P84-C87 WeakPolarHBondContact O-CB 3.31Å; P84-C87 PolarHBondContact O-N 3.14Å; W85-C87 VanDerWaalsContact C-N 3.34Å; W85-C87 PolarHBondContact O-N 2.87Å
88Y97.8Very high98.2Very high169 Ų16958 Ų5866%0.66328%0.28SS*.G310 helixtrans-98.83.4-178.4-69.8-6.8000113.6L67 P84 W85 E86L67-Y88 HydrophobicContact CD1-CE1 4.26Å; P84-Y88 HydrophobicContact CB-CD2 4.13Å; P84-Y88 HydrophobicContact CB-CE1 4.26Å; P84-Y88 HydrophobicContact CB-CE2 3.85Å; P84-Y88 HydrophobicContact CB-CG 4.47Å; P84-Y88 HydrophobicContact CG-CD2 4.23Å; P84-Y88 HydrophobicContact CG-CE2 3.89Å; P84-Y88 PolarHBondContact O-N 2.95Å; P84-Y88 VanDerWaalsContact O-N 3.13Å; W85-Y88 PolarHBondContact O-N 3.29Å; W85-Y88 VanDerWaalsContact O-N 3.13Å; E86-Y88 PolarHBondContact O-N 3.25Å
89Q98.4Very high98.3Very high54 Ų5451.6 Ų51.625%0.25225%0.246SC..SBendtrans-73.8157.3170.1-57.5-45.6-70.500110.6H52 W85 E86 T91 Q93H52-Q89 PolarHBondContact CD2-O 2.97Å; H52-Q89 VanDerWaalsContact CD2-O 3.27Å; H52-Q89 PolarHBondContact NE2-O 2.89Å; W85-Q89 HydrophobicContact CH2-CG 4.28Å; W85-Q89 HydrophobicContact CZ2-CG 4.14Å; W85-Q89 VanDerWaalsContact NE1-NE2 3.13Å; W85-Q89 WeakPolarHBondContact O-CG 3.28Å; W85-Q89 PolarHBondContact O-N 2.99Å; W85-Q89 PolarHBondContact O-NE2 2.78Å; E86-Q89 PolarHBondContact O-N 3.05Å; Q89-T91 WeakPolarHBondContact CB-O 3.21Å; Q89-T91 PolarHBondContact O-N 2.74Å; Q89-Q93 HydrophobicContact CB-CG 4.04Å; Q89-Q93 HydrophobicContact CG-CG 3.66Å
90D97Very high98.3Very high160 Ų16053.9 Ų53.986%0.85626%0.257SS*.SBendtrans-66.1-28.2177.9-65-34.2000112.3
91T97.5Very high98.2Very high84 Ų8455.5 Ų55.552%0.51526%0.264SS..SBendtrans-141.5164.8-179.669.80000111.3Q89 Q93Q89-T91 WeakPolarHBondContact CB-O 3.21Å; Q89-T91 PolarHBondContact O-N 2.74Å; T91-Q93 PolarHBondContact O-NE2 3.01Å
92W98Very high98.2Very high107 Ų10746.7 Ų46.741%0.40523%0.231SC..  trans-51.4140.7170.7172.471.8000112.1H52 S54 Y55 T94H52-W92 HydrophobicContact CB-CB 4.36Å; H52-W92 PolarHBondContact ND1-N 2.93Å; S54-W92 VanDerWaalsContact OG-CB 3.29Å; S54-W92 WeakPolarHBondContact OG-CB 3.14Å; S54-W92 PolarHBondContact OG-N 3.36Å; Y55-W92 AromaticContact CD2-CD1 3.64Å; Y55-W92 HydrophobicContact CD2-CD2 4.43Å; Y55-W92 AromaticContact CD2-CE2 3.89Å; Y55-W92 HydrophobicContact CD2-CG 4.27Å; Y55-W92 AromaticContact CD2-NE1 3.37Å; Y55-W92 AromaticContact CE2-NE1 3.98Å; W92-T94 HydrophobicContact CH2-CG2 3.85Å; W92-T94 HydrophobicContact CZ3-CG2 4.12Å
93Q98.3Very high98Very high42 Ų4248.2 Ų48.220%0.19623%0.234CC..  trans-115.1147.5179.5-59.2-56.8-56.400110.2W85 E86 Q89 T91 V98W85-Q93 HydrophobicContact CH2-CG 4.18Å; W85-Q93 HydrophobicContact CZ3-CG 4.29Å; E86-Q93 HydrophobicContact CG-CB 4.42Å; Q89-Q93 HydrophobicContact CB-CG 4.04Å; Q89-Q93 HydrophobicContact CG-CG 3.66Å; T91-Q93 PolarHBondContact O-NE2 3.01Å; Q93-V98 HydrophobicContact CB-CG2 4.18Å
94T98.1Very high97.7Very high25 Ų2549.3 Ų49.315%0.15324%0.24CC..  trans-71.9152.3172.375.70000110W92 C96 S97 V98 D218W92-T94 HydrophobicContact CH2-CG2 3.85Å; W92-T94 HydrophobicContact CZ3-CG2 4.12Å; T94-C96 PolarHBondContact O-N 3.23Å; T94-C96 VanDerWaalsContact O-N 3.16Å; T94-S97 PolarHBondContact O-N 3.17Å; T94-S97 PolarHBondContact OG1-N 3.18Å; T94-S97 PolarHBondContact OG1-OG 2.93Å; T94-V98 WeakPolarHBondContact O-CG2 3.46Å; T94-V98 PolarHBondContact O-N 3.37Å; T94-V98 VanDerWaalsContact O-N 3.12Å; T94-D218 WeakPolarHBondContact CB-OD2 3.27Å; T94-D218 PolarHBondContact OG1-OD2 3.17Å; T94-D218 VanDerWaalsContact OG1-OD2 3.09Å
95T98.5Very high97.3Very high21 Ų2150.4 Ų50.413%0.12924%0.244CC..Hα-helixtrans-55.6-32.9174.8-56.10000112.1C14 V98 L99 L198C14-T95 HydrophobicContact CB-CG2 4.21Å; T95-V98 PolarHBondContact O-N 3.3Å; T95-L99 HydrophobicContact CG2-CD1 4.12Å; T95-L99 WeakPolarHBondContact O-CG 3.44Å; T95-L99 PolarHBondContact O-N 3.28Å; T95-L198 HydrophobicContact CG2-CD1 3.79Å; T95-L198 HydrophobicContact CG2-CD2 4.08Å
96C98.4Very high96.7Very high6 Ų649.3 Ų49.34%0.04124%0.241CC..Hα-helixtrans-58.5-53172.9-172.80000110.9T94 V98 L99 E100 D218 V221 I222T94-C96 PolarHBondContact O-N 3.23Å; T94-C96 VanDerWaalsContact O-N 3.16Å; C96-V98 VanDerWaalsContact C-N 3.28Å; C96-V98 PolarHBondContact O-N 2.97Å; C96-L99 WeakPolarHBondContact O-CB 3.46Å; C96-L99 PolarHBondContact O-N 3.05Å; C96-L99 VanDerWaalsContact O-N 3.1Å; C96-E100 WeakPolarHBondContact O-CG 3.33Å; C96-E100 PolarHBondContact O-N 3.1Å; C96-D218 HydrophobicContact CB-CB 3.86Å; C96-V221 VanDerWaalsContact SG-CG1 3.54Å; C96-I222 HydrophobicContact CB-CD1 4.07Å; C96-I222 HydrophobicContact CB-CG1 3.99Å
97S98.5Very high96Very high39 Ų3955.4 Ų55.427%0.27327%0.268SS..Hα-helixtrans-59.8-35.7178.5-57.60000113.3T94 H101T94-S97 PolarHBondContact O-N 3.17Å; T94-S97 PolarHBondContact OG1-N 3.18Å; T94-S97 PolarHBondContact OG1-OG 2.93Å; S97-H101 WeakPolarHBondContact O-CB 3.34Å; S97-H101 PolarHBondContact O-N 2.92Å
98V98.7Very high95.3Very high0 Ų061.5 Ų61.50%029%0.289CS..Hα-helixtrans-65.8-45.7174.9-174.80000111L12 W85 E86 Q93 T94 T95 C96 E100 H101 H102L12-V98 HydrophobicContact CD2-CG1 4.14Å; W85-V98 HydrophobicContact CZ3-CB 4.28Å; W85-V98 HydrophobicContact CZ3-CG1 4.48Å; W85-V98 HydrophobicContact CZ3-CG2 3.98Å; E86-V98 HydrophobicContact CB-CG2 4.27Å; E86-V98 HydrophobicContact CG-CG2 3.98Å; Q93-V98 HydrophobicContact CB-CG2 4.18Å; T94-V98 WeakPolarHBondContact O-CG2 3.46Å; T94-V98 PolarHBondContact O-N 3.37Å; T94-V98 VanDerWaalsContact O-N 3.12Å; T95-V98 PolarHBondContact O-N 3.3Å; C96-V98 VanDerWaalsContact C-N 3.28Å; C96-V98 PolarHBondContact O-N 2.97Å; V98-E100 PolarHBondContact O-N 3.45Å; V98-H101 PolarHBondContact O-N 3Å; V98-H102 PolarHBondContact O-CD2 2.96Å; V98-H102 PolarHBondContact O-N 3.45Å; V98-H102 VanDerWaalsContact O-N 3.12Å
99L98.6Very high94.5Very high0 Ų057 Ų570%028%0.279CS..Hα-helixtrans-59.9-44.5175.5-79.2159.9000111.8L12 T95 C96 H102 R103 I196 L198 I222 F226L12-L99 HydrophobicContact CB-CD2 4.44Å; L12-L99 HydrophobicContact CD2-CD2 3.62Å; L12-L99 HydrophobicContact CD2-CG 3.92Å; T95-L99 HydrophobicContact CG2-CD1 4.12Å; T95-L99 WeakPolarHBondContact O-CG 3.44Å; T95-L99 PolarHBondContact O-N 3.28Å; C96-L99 WeakPolarHBondContact O-CB 3.46Å; C96-L99 PolarHBondContact O-N 3.05Å; C96-L99 VanDerWaalsContact O-N 3.1Å; L99-H102 PolarHBondContact O-N 2.78Å; L99-R103 WeakPolarHBondContact O-CB 3.46Å; L99-R103 PolarHBondContact O-N 2.95Å; L99-I196 HydrophobicContact CD2-CG2 3.78Å; L99-L198 HydrophobicContact CD1-CB 4.3Å; L99-L198 HydrophobicContact CD2-CB 4.32Å; L99-I222 HydrophobicContact CD1-CB 4.32Å; L99-I222 HydrophobicContact CD1-CG1 3.84Å; L99-I222 HydrophobicContact CD1-CG2 4.03Å; L99-F226 VanDerWaalsContact C-CZ 3.43Å; L99-F226 HydrophobicContact CB-CD1 4.02Å; L99-F226 HydrophobicContact CB-CD2 4.04Å; L99-F226 HydrophobicContact CB-CE1 3.74Å; L99-F226 HydrophobicContact CB-CE2 3.79Å; L99-F226 HydrophobicContact CB-CG 4.16Å; L99-F226 HydrophobicContact CB-CZ 3.64Å; L99-F226 HydrophobicContact CD1-CD2 4.29Å; L99-F226 HydrophobicContact CD1-CG 4.29Å; L99-F226 HydrophobicContact CD2-CB 4.42Å; L99-F226 HydrophobicContact CD2-CD1 3.86Å; L99-F226 HydrophobicContact CD2-CE1 4.28Å; L99-F226 HydrophobicContact CD2-CG 4.11Å; L99-F226 HydrophobicContact CG-CD1 4.44Å; L99-F226 HydrophobicContact CG-CG 4.44Å; L99-F226 WeakPolarHBondContact O-CE1 3.31Å; L99-F226 WeakPolarHBondContact O-CZ 3.35Å
100E98Very high93.5Very high65 Ų6557.3 Ų57.330%0.30429%0.285SS..Hα-helixtrans-63.7-43.5177.2-66.1-166.2120.300112.4C96 V98 H102 R103 D104 F226C96-E100 WeakPolarHBondContact O-CG 3.33Å; C96-E100 PolarHBondContact O-N 3.1Å; V98-E100 PolarHBondContact O-N 3.45Å; E100-H102 VanDerWaalsContact C-N 3.35Å; E100-H102 PolarHBondContact O-N 2.97Å; E100-R103 WeakPolarHBondContact O-CB 3.4Å; E100-R103 PolarHBondContact O-N 2.69Å; E100-R103 IonicContact OE1-CZ 3.63Å; E100-R103 IonicContact OE1-NH2 3.93Å; E100-R103 PolarHBondContact OE1-NH2 2.92Å; E100-D104 WeakPolarHBondContact O-CB 3.26Å; E100-D104 VanDerWaalsContact O-CG 3.28Å; E100-D104 PolarHBondContact O-N 3.41Å; E100-F226 HydrophobicContact CG-CE2 4.01Å; E100-F226 HydrophobicContact CG-CZ 4.03Å
101H98Very high92.4Very high38 Ų3851.5 Ų51.518%0.17626%0.263CS..Hα-helixtrans-54.5-51.3174.8171.875.4000111.5W85 S97 V98 R103 D104 L105W85-H101 AromaticContact CD1-CD2 3.98Å; W85-H101 AromaticContact CD1-CE1 3.26Å; W85-H101 AromaticContact CD1-ND1 3.81Å; W85-H101 AromaticContact CD1-NE2 3.4Å; W85-H101 HydrophobicContact CD2-CB 4.18Å; W85-H101 AromaticContact CD2-CD2 3.45Å; W85-H101 VanDerWaalsContact CD2-CD2 3.45Å; W85-H101 AromaticContact CD2-CE1 3.86Å; W85-H101 AromaticContact CD2-CG 3.49Å; W85-H101 VanDerWaalsContact CD2-CG 3.49Å; W85-H101 AromaticContact CD2-ND1 3.76Å; W85-H101 AromaticContact CD2-NE2 3.73Å; W85-H101 AromaticContact CE2-CD2 3.82Å; W85-H101 AromaticContact CE2-CE1 3.59Å; W85-H101 AromaticContact CE2-CG 3.41Å; W85-H101 VanDerWaalsContact CE2-CG 3.41Å; W85-H101 AromaticContact CE2-ND1 3.26Å; W85-H101 VanDerWaalsContact CE2-ND1 3.26Å; W85-H101 AromaticContact CE2-NE2 3.96Å; W85-H101 HydrophobicContact CE3-CB 4.05Å; W85-H101 AromaticContact CE3-CD2 3.82Å; W85-H101 AromaticContact CE3-CG 3.82Å; W85-H101 AromaticContact CG-CD2 3.59Å; W85-H101 AromaticContact CG-CE1 3.68Å; W85-H101 AromaticContact CG-NE2 3.39Å; W85-H101 HydrophobicContact CH2-CB 3.72Å; W85-H101 HydrophobicContact CZ2-CB 3.84Å; W85-H101 AromaticContact CZ2-CG 3.69Å; W85-H101 AromaticContact CZ2-ND1 3.63Å; W85-H101 HydrophobicContact CZ3-CB 3.83Å; W85-H101 AromaticContact NE1-CE1 3.19Å; W85-H101 PolarHBondContact NE1-CE1 3.4Å; W85-H101 AromaticContact NE1-CG 3.86Å; W85-H101 AromaticContact NE1-ND1 3.29Å; W85-H101 PolarHBondContact NE1-ND1 3.46Å; W85-H101 AromaticContact NE1-NE2 3.74Å; S97-H101 WeakPolarHBondContact O-CB 3.34Å; S97-H101 PolarHBondContact O-N 2.92Å; V98-H101 PolarHBondContact O-N 3Å; H101-R103 PolarHBondContact O-N 3.37Å; H101-D104 PolarHBondContact O-N 3.01Å; H101-L105 WeakPolarHBondContact O-CB 3.42Å; H101-L105 PolarHBondContact O-N 3.25Å
102H97Very high90.9Very high3 Ų350.9 Ų50.91%0.01426%0.262CS..Hα-helixtrans-67.6-36.4-178.9-72.6-66.1000112.1D83 V98 L99 E100 D104 L105 M106 I196D83-H102 VanDerWaalsContact CG-CE1 3.47Å; D83-H102 IonicContact OD2-CE1 3Å; D83-H102 PolarHBondContact OD2-CE1 3.36Å; V98-H102 PolarHBondContact O-CD2 2.96Å; V98-H102 PolarHBondContact O-N 3.45Å; V98-H102 VanDerWaalsContact O-N 3.12Å; L99-H102 PolarHBondContact O-N 2.78Å; E100-H102 VanDerWaalsContact C-N 3.35Å; E100-H102 PolarHBondContact O-N 2.97Å; H102-D104 VanDerWaalsContact C-N 3.33Å; H102-D104 PolarHBondContact O-N 2.92Å; H102-L105 PolarHBondContact O-N 2.94Å; H102-M106 VanDerWaalsContact O-CG 3.24Å; H102-M106 WeakPolarHBondContact O-CG 3.34Å; H102-M106 PolarHBondContact O-N 2.84Å; H102-I196 HydrophobicContact CB-CD1 3.34Å
103R94.5Very high89.5Confident57 Ų5750.5 Ų50.522%0.21527%0.267CS..Hα-helixtrans-57.8-48.1173.2178.6-176.767-159.6-4.8111.2L99 E100 H101 M106 K107 I196 F226L99-R103 WeakPolarHBondContact O-CB 3.46Å; L99-R103 PolarHBondContact O-N 2.95Å; E100-R103 WeakPolarHBondContact O-CB 3.4Å; E100-R103 PolarHBondContact O-N 2.69Å; E100-R103 IonicContact OE1-CZ 3.63Å; E100-R103 IonicContact OE1-NH2 3.93Å; E100-R103 PolarHBondContact OE1-NH2 2.92Å; H101-R103 PolarHBondContact O-N 3.37Å; R103-M106 PolarHBondContact O-N 2.83Å; R103-K107 HydrophobicContact CG-CD 4.41Å; R103-K107 WeakPolarHBondContact O-CG 3.4Å; R103-K107 PolarHBondContact O-N 2.75Å; R103-I196 HydrophobicContact CB-CD1 4.42Å; R103-I196 VanDerWaalsContact N-CD1 3.31Å; R103-F226 HydrophobicContact CB-CE1 3.85Å; R103-F226 HydrophobicContact CB-CZ 4.06Å; R103-F226 HydrophobicContact CG-CE1 4.4Å
104D92.4Very high88Confident61 Ų6152.1 Ų52.133%0.32628%0.276SS..Hα-helixtrans-71.4-35.5-176.3-66.7-7.6000111.3E100 H101 H102 K107 R108E100-D104 WeakPolarHBondContact O-CB 3.26Å; E100-D104 VanDerWaalsContact O-CG 3.28Å; E100-D104 PolarHBondContact O-N 3.41Å; H101-D104 PolarHBondContact O-N 3.01Å; H102-D104 VanDerWaalsContact C-N 3.33Å; H102-D104 PolarHBondContact O-N 2.92Å; D104-K107 PolarHBondContact O-N 2.88Å; D104-R108 WeakPolarHBondContact O-CG 3.35Å; D104-R108 PolarHBondContact O-N 2.91Å
105L90Very high86.4Confident62 Ų6253.9 Ų53.933%0.32529%0.289SS..Hα-helixtrans-60.5-47.1171.3-179.361.5000111.3H101 H102 R108 V109H101-L105 WeakPolarHBondContact O-CB 3.42Å; H101-L105 PolarHBondContact O-N 3.25Å; H102-L105 PolarHBondContact O-N 2.94Å; L105-R108 PolarHBondContact O-N 2.95Å; L105-V109 HydrophobicContact CD1-CG2 4.38Å; L105-V109 WeakPolarHBondContact O-CG2 3.42Å; L105-V109 PolarHBondContact O-N 2.84Å
106M86.4Confident84.4Confident29 Ų2958.3 Ų58.314%0.14331%0.312CS..Hα-helixtrans-61.8-45.7177.1-70.5-175.4-2500111.9I10 H102 R103 R108 V109 T110 L194 I196I10-M106 HydrophobicContact CB-SD 4.32Å; I10-M106 HydrophobicContact CD1-CG 4.32Å; I10-M106 HydrophobicContact CD1-SD 3.33Å; I10-M106 WeakPolarHBondContact CD1-SD 3.48Å; I10-M106 HydrophobicContact CG1-SD 4.3Å; H102-M106 VanDerWaalsContact O-CG 3.24Å; H102-M106 WeakPolarHBondContact O-CG 3.34Å; H102-M106 PolarHBondContact O-N 2.84Å; R103-M106 PolarHBondContact O-N 2.83Å; M106-R108 VanDerWaalsContact C-N 3.28Å; M106-R108 PolarHBondContact O-N 2.87Å; M106-V109 PolarHBondContact O-N 2.98Å; M106-T110 WeakPolarHBondContact O-CB 3.33Å; M106-T110 PolarHBondContact O-N 3.41Å; M106-T110 PolarHBondContact O-OG1 3.5Å; M106-T110 VanDerWaalsContact O-OG1 3.09Å; M106-L194 HydrophobicContact CB-CD2 4.25Å; M106-L194 HydrophobicContact CE-CD2 3.92Å; M106-L194 HydrophobicContact CE-CG 3.9Å; M106-L194 HydrophobicContact CG-CD2 4.48Å; M106-L194 HydrophobicContact SD-CD2 3.98Å; M106-L194 HydrophobicContact SD-CG 4.31Å; M106-I196 HydrophobicContact CE-CD1 3.52Å; M106-I196 HydrophobicContact CE-CG1 3.13Å; M106-I196 HydrophobicContact CG-CD1 4.46Å; M106-I196 HydrophobicContact SD-CD1 3.61Å; M106-I196 HydrophobicContact SD-CG1 3.55Å; M106-I196 VanDerWaalsContact SD-CG1 3.55Å
107K84.4Confident82.5Confident134 Ų13461.8 Ų61.858%0.58333%0.333SS*.Hα-helixtrans-56.4-42.9176.6-75.5178.5176.3-176.50111.8R103 D104 G111R103-K107 HydrophobicContact CG-CD 4.41Å; R103-K107 WeakPolarHBondContact O-CG 3.4Å; R103-K107 PolarHBondContact O-N 2.75Å; D104-K107 PolarHBondContact O-N 2.88Å; K107-G111 PolarHBondContact O-N 2.94Å
108R83.3Confident80.2Confident135 Ų13565.7 Ų65.751%0.50935%0.351SS..Hα-helixtrans-63.7-47.8175.8-73.5-173.1-63.7-95.40.8112D104 L105 M106 G111 C112D104-R108 WeakPolarHBondContact O-CG 3.35Å; D104-R108 PolarHBondContact O-N 2.91Å; L105-R108 PolarHBondContact O-N 2.95Å; M106-R108 VanDerWaalsContact C-N 3.28Å; M106-R108 PolarHBondContact O-N 2.87Å; R108-G111 PolarHBondContact O-N 3.33Å; R108-C112 PolarHBondContact O-N 2.78Å; R108-C112 PolarHBondContact O-SG 3.18Å
109V79.9Confident77.5Confident75 Ų7570.1 Ų70.146%0.45538%0.378SS..Hα-helixtrans-62.9-47.6-179.3171.80000111.1L105 M106 G111 C112 I113L105-V109 HydrophobicContact CD1-CG2 4.38Å; L105-V109 WeakPolarHBondContact O-CG2 3.42Å; L105-V109 PolarHBondContact O-N 2.84Å; M106-V109 PolarHBondContact O-N 2.98Å; V109-G111 PolarHBondContact O-N 3.11Å; V109-C112 PolarHBondContact O-N 3.4Å; V109-I113 HydrophobicContact CG1-CD1 3.8Å; V109-I113 HydrophobicContact CG1-CG1 4.5Å; V109-I113 VanDerWaalsContact O-CG1 3.31Å; V109-I113 WeakPolarHBondContact O-CG1 3.35Å; V109-I113 PolarHBondContact O-N 3.31Å
110T78.3Confident74.9Confident60 Ų6075.4 Ų75.437%0.36841%0.413SS..Hα-helixtrans-61.8-43.8176.9-56.50000111.1M106 C112 I113 L114M106-T110 WeakPolarHBondContact O-CB 3.33Å; M106-T110 PolarHBondContact O-N 3.41Å; M106-T110 PolarHBondContact O-OG1 3.5Å; M106-T110 VanDerWaalsContact O-OG1 3.09Å; T110-C112 PolarHBondContact O-N 2.96Å; T110-I113 PolarHBondContact O-N 2.79Å; T110-L114 HydrophobicContact CG2-CD1 3.92Å; T110-L114 HydrophobicContact CG2-CG 4.38Å; T110-L114 WeakPolarHBondContact O-CB 3.39Å; T110-L114 VanDerWaalsContact O-CG 3.25Å; T110-L114 WeakPolarHBondContact O-CG 3.44Å; T110-L114 PolarHBondContact O-N 2.8Å
111G73.6Confident72.2Confident39 Ų3977.6 Ų77.640%0.40244%0.435SS..Hα-helixtrans-58.7-45175.100000113K107 R108 V109 L114 S115K107-G111 PolarHBondContact O-N 2.94Å; R108-G111 PolarHBondContact O-N 3.33Å; V109-G111 PolarHBondContact O-N 3.11Å; G111-L114 PolarHBondContact O-N 3.13Å; G111-S115 WeakPolarHBondContact O-CB 3.4Å; G111-S115 PolarHBondContact O-N 2.64Å; G111-S115 PolarHBondContact O-OG 3.32Å
112C66.5Low69.4Low71 Ų7181.7 Ų81.748%0.4846%0.463SS..Hα-helixtrans-62.2-46.7176.1-71.80000112.3R108 V109 T110 L114 S115 N116R108-C112 PolarHBondContact O-N 2.78Å; R108-C112 PolarHBondContact O-SG 3.18Å; V109-C112 PolarHBondContact O-N 3.4Å; T110-C112 PolarHBondContact O-N 2.96Å; C112-L114 VanDerWaalsContact C-N 3.34Å; C112-L114 PolarHBondContact O-N 3.16Å; C112-S115 WeakPolarHBondContact CA-OG 3.41Å; C112-S115 PolarHBondContact O-N 3.11Å; C112-S115 PolarHBondContact O-OG 3.37Å; C112-N116 PolarHBondContact O-N 3.16Å; C112-N116 PolarHBondContact O-ND2 3.38Å
113I68.4Low66.6Low99 Ų9987.1 Ų87.151%0.50850%0.496SS..Hα-helixtrans-58.8-48.6179-68.9166.5000110.1V109 T110 S115 N116 V117V109-I113 HydrophobicContact CG1-CD1 3.8Å; V109-I113 HydrophobicContact CG1-CG1 4.5Å; V109-I113 VanDerWaalsContact O-CG1 3.31Å; V109-I113 WeakPolarHBondContact O-CG1 3.35Å; V109-I113 PolarHBondContact O-N 3.31Å; T110-I113 PolarHBondContact O-N 2.79Å; I113-S115 VanDerWaalsContact C-N 3.32Å; I113-S115 PolarHBondContact O-N 3.43Å; I113-N116 PolarHBondContact O-N 3.26Å; I113-V117 WeakPolarHBondContact O-CG2 3.35Å; I113-V117 PolarHBondContact O-N 2.94Å; I113-V117 VanDerWaalsContact O-N 3.13Å
114L66.6Low63.9Low76 Ų7689.6 Ų89.640%0.39852%0.52SS..Hα-helixtrans-64.1-37.3179.4-65.8173.8000111.9T110 G111 C112 N118T110-L114 HydrophobicContact CG2-CD1 3.92Å; T110-L114 HydrophobicContact CG2-CG 4.38Å; T110-L114 WeakPolarHBondContact O-CB 3.39Å; T110-L114 VanDerWaalsContact O-CG 3.25Å; T110-L114 WeakPolarHBondContact O-CG 3.44Å; T110-L114 PolarHBondContact O-N 2.8Å; G111-L114 PolarHBondContact O-N 3.13Å; C112-L114 VanDerWaalsContact C-N 3.34Å; C112-L114 PolarHBondContact O-N 3.16Å; L114-N118 VanDerWaalsContact O-CG 3.27Å; L114-N118 PolarHBondContact O-N 3.45Å; L114-N118 PolarHBondContact O-ND2 2.85Å
115S63.5Low61.2Low61 Ų6193.3 Ų93.343%0.42754%0.544SS..Hα-helixtrans-67.4-37.5176.669.70000113.4G111 C112 I113 N118 T119G111-S115 WeakPolarHBondContact O-CB 3.4Å; G111-S115 PolarHBondContact O-N 2.64Å; G111-S115 PolarHBondContact O-OG 3.32Å; C112-S115 WeakPolarHBondContact CA-OG 3.41Å; C112-S115 PolarHBondContact O-N 3.11Å; C112-S115 PolarHBondContact O-OG 3.37Å; I113-S115 VanDerWaalsContact C-N 3.32Å; I113-S115 PolarHBondContact O-N 3.43Å; S115-N118 PolarHBondContact O-N 3.34Å; S115-T119 PolarHBondContact O-N 2.69Å
116N57.8Low58.7Low114 Ų11498.1 Ų98.161%0.6157%0.569SS**Hα-helixtrans-74.9-28.6-179.2-72.9-20.3000112.9C112 I113 N118 T119C112-N116 PolarHBondContact O-N 3.16Å; C112-N116 PolarHBondContact O-ND2 3.38Å; I113-N116 PolarHBondContact O-N 3.26Å; N116-N118 VanDerWaalsContact C-N 3.29Å; N116-T119 PolarHBondContact O-OG1 3.14Å
117V58.3Low56.2Low80 Ų8099.7 Ų99.749%0.48559%0.593SS.*Hα-helixtrans-70.4-29.8173.1174.30000111.1I113I113-V117 WeakPolarHBondContact O-CG2 3.35Å; I113-V117 PolarHBondContact O-N 2.94Å; I113-V117 VanDerWaalsContact O-N 3.13Å
118N50.1Low53.8Low121 Ų121102.4 Ų102.465%0.64761%0.607SS**SBendtrans-86.7-5.2-177.1-68.2-18.7000114.4L114 S115 N116 P120L114-N118 VanDerWaalsContact O-CG 3.27Å; L114-N118 PolarHBondContact O-N 3.45Å; L114-N118 PolarHBondContact O-ND2 2.85Å; S115-N118 PolarHBondContact O-N 3.34Å; N116-N118 VanDerWaalsContact C-N 3.29Å; N118-P120 WeakPolarHBondContact O-CD 3.28Å
119T42.3Very low51.3Low92 Ų92101.9 Ų101.956%0.56462%0.621SS**SBendtrans-90.2113.3172.644.60000110.6S115 N116 S121S115-T119 PolarHBondContact O-N 2.69Å; N116-T119 PolarHBondContact O-OG1 3.14Å; T119-S121 PolarHBondContact O-N 3.18Å
120P43.9Very low49Very low112 Ų112107.6 Ų107.673%0.72764%0.643SS**  trans-63.2121.8172.522.6-29.2000109.4N118 T122N118-P120 WeakPolarHBondContact O-CD 3.28Å; P120-T122 VanDerWaalsContact C-N 3.29Å; P120-T122 PolarHBondContact O-N 2.88Å
121S40.3Very low46.8Very low110 Ų110112 Ų11277%0.76967%0.665SS**  trans-68.587175.171.50000109.8T119 T123T119-S121 PolarHBondContact O-N 3.18Å; S121-T123 VanDerWaalsContact C-N 3.28Å; S121-T123 PolarHBondContact O-N 3.12Å
122T39.3Very low44.7Very low125 Ų125119.1 Ų119.177%0.76769%0.687SS**  trans-8383.4162.533.80000107.3P120 P124P120-T122 VanDerWaalsContact C-N 3.29Å; P120-T122 PolarHBondContact O-N 2.88Å; T122-P124 WeakPolarHBondContact O-CD 3.42Å
123T39.9Very low42.9Very low117 Ų117121.8 Ų121.872%0.71870%0.701SS**  trans-65.9114.1161.3-19.90000106.3S121 V125S121-T123 VanDerWaalsContact C-N 3.28Å; S121-T123 PolarHBondContact O-N 3.12Å; T123-V125 PolarHBondContact O-N 3.12Å
124P35.8Very low40.9Very low109 Ų109125.7 Ų125.771%0.70872%0.717SS**  trans-70110.9175.627.6-29.1000107.6T122 I126T122-P124 WeakPolarHBondContact O-CD 3.42Å; P124-I126 PolarHBondContact O-N 2.59Å; P124-I126 VanDerWaalsContact O-N 3.12Å
125V36.5Very low39Very low138 Ų138128.4 Ų128.484%0.83674%0.737SS**  trans-66.9108.6164.91770000106.1T123 G127T123-V125 PolarHBondContact O-N 3.12Å; V125-G127 PolarHBondContact O-N 3.16Å
126I37.9Very low37.3Very low163 Ų163129.4 Ų129.484%0.83675%0.749SS**  trans-64.897.4174.7-66.5167.9000107.5P124P124-I126 PolarHBondContact O-N 2.59Å; P124-I126 VanDerWaalsContact O-N 3.12Å
127G34.4Very low35.8Very low63 Ų63131.7 Ų131.765%0.64976%0.76SS**PPolyproline II helixtrans-70.6139.8169.700000110.7V125V125-G127 PolarHBondContact O-N 3.16Å
128Q32.3Very low34.3Very low190 Ų190137.9 Ų137.989%0.88878%0.776SS**PPolyproline II helixtrans-56.1149.4175.8-70.5170.6-50.800112.1Q130Q128-Q130 PolarHBondContact O-N 3.06Å
129P32.4Very low33.2Very low124 Ų124141.4 Ų141.481%0.80579%0.789SS**PPolyproline II helixtrans-76.4119.1-178.427.4-26.8000110.8
130Q31.6Very low32.5Very low196 Ų196143.3 Ų143.392%0.91680%0.796SS**  trans-86.3113156.6-77.5-171.7-3100108.4Q128Q128-Q130 PolarHBondContact O-N 3.06Å
131N32.2Very low31.8Very low153 Ų153146.3 Ų146.382%0.81880%0.799SS**  trans-59131.5160.8-86.7-25.1000108.8
132E29.1Very low31.1Very low187 Ų187146.6 Ų146.687%0.87479%0.792SS**  -165.5113.1125.4-104.2165.3-156.600111.3
133T28Very low30.5Very low127 Ų127146.4 Ų146.478%0.77979%0.791SS**  trans-17.4133.9156.614.60000117.7
134Q26.8Very low29.8Very low181 Ų181149.3 Ų149.385%0.84680%0.799SS**  -165.1111.9112.7-105.8168.820.200114.4
135T25.7Very low29.4Very low133 Ų133150.6 Ų150.682%0.81680%0.8SS**  trans58.5117.5136.543.90000122.3
136A29.1Very low29Very low82 Ų82151.8 Ų151.868%0.67880%0.801SS**  trans-65.2151168.200000114.3
137I25.5Very low28.5Very low162 Ų162153.4 Ų153.483%0.83180%0.802SS**  trans-136.7112.6139.5-60.5-176.7000107.9
138Y26.5Very low28.9Very low210 Ų210155.7 Ų155.782%0.82481%0.806SS**  trans-77.2131164.8-96.4-96.8000109.2
139Q27.6Very low28.6Very low195 Ų195153 Ų15391%0.91180%0.803SS**  trans-131.2126.4147.6-83.7-170.3-19.700109.5
140N26.6Very low28.4Very low133 Ų133151.5 Ų151.571%0.71180%0.801SS**  trans-108.8132.6-178.9-170.911.8000107
141H29.5Very low28.3Very low174 Ų174149.9 Ų149.981%0.80680%0.797SS**  trans-161.8109.8153.4-104.5-54000112.5
142N26.7Very low28.1Very low116 Ų116152.4 Ų152.462%0.6280%0.8SS**  50.6118.6124.6-74.9-5.2000123
143T26.2Very low28Very low121 Ų121151.7 Ų151.774%0.74280%0.802SS**  65.8118.2129.653.30000121
144M25.7Very low27.9Very low178 Ų178155.6 Ų155.688%0.87780%0.802SS**  175.9154.886.2-97.9-146.8158.600113.8
145N26.7Very low27.9Very low137 Ų137150.7 Ų150.773%0.73380%0.8SS**  trans-35.3143.1171.4-82-24.8000119.5
146N28Very low28.2Very low162 Ų162152.3 Ų152.387%0.86680%0.795SS**  178.8135104.9-92-24.9000112.6
147K27.4Very low28.2Very low197 Ų197158.1 Ų158.186%0.85781%0.811SS**  trans-77.3-173.1165.1-77.3-175.7175178.60110.3
148P42.6Very low28.3Very low111 Ų111155.7 Ų155.772%0.72181%0.809SS**  -124.7-171.9-59.936-19.2000109.4
149T27.5Very low28.6Very low135 Ų135154.3 Ų154.383%0.82881%0.81SS**  trans174.9135.6135-72.90000112.1
150A27.5Very low28.6Very low92 Ų92149.9 Ų149.976%0.7680%0.8SS**  trans-76.1152.217500000113.1
151I29.8Very low28.8Very low162 Ų162151.7 Ų151.783%0.83181%0.809SS**  trans-122.3117.3168.4-64.3176.4000109.2
152K27.3Very low28.7Very low206 Ų206146.4 Ų146.490%0.89680%0.801SS**  trans-85.4142.5156.1-86.8178.6172.9176.80108
153L27Very low29.5Very low172 Ų172151 Ų15190%0.90182%0.816SS**  trans-137.3125.9159-162.369.2000110.4
154W26.2Very low29.8Very low209 Ų209152.6 Ų152.679%0.79282%0.818SS**  trans-115.2139.9175.5-160.965.6000107.3K156W154-K156 HydrophobicContact CE3-CG 4.39Å; W154-K156 HydrophobicContact CH2-CD 3.71Å; W154-K156 HydrophobicContact CH2-CG 3.84Å; W154-K156 HydrophobicContact CZ2-CG 4.33Å; W154-K156 HydrophobicContact CZ3-CD 3.69Å; W154-K156 HydrophobicContact CZ3-CG 3.84Å
155G26.8Very low29.9Very low77 Ų77149 Ų14979%0.79481%0.81SS**  trans-142.3117.7174.800000110.6
156K32.8Very low30.5Very low167 Ų167149.1 Ų149.173%0.72682%0.819SS**  trans-90.3138.5168.8-89.9177.8160.4173.80109.5W154W154-K156 HydrophobicContact CE3-CG 4.39Å; W154-K156 HydrophobicContact CH2-CD 3.71Å; W154-K156 HydrophobicContact CH2-CG 3.84Å; W154-K156 HydrophobicContact CZ2-CG 4.33Å; W154-K156 HydrophobicContact CZ3-CD 3.69Å; W154-K156 HydrophobicContact CZ3-CG 3.84Å
157M28.1Very low30.8Very low205 Ų205147.2 Ų147.2100%1.0181%0.813SS**  trans-141.9155.9148.9-75.8-16697.100110.7
158S28Very low31.3Very low111 Ų111148.8 Ų148.878%0.77681%0.814SS**  trans-100.8169.9-153.3173.10000114.3
159E31.8Very low30.9Very low181 Ų181148.7 Ų148.785%0.84681%0.813SS**  trans-41.5146.7176.4-60.2170.5149.800118.1
160S28.6Very low31Very low102 Ų102150 Ų15071%0.71381%0.809SS**  137.3132.6118.4-166.40000116.3
161L30.8Very low31.8Very low171 Ų171152.4 Ų152.490%0.89581%0.808SS**  trans75.7115.8154.7-72.1156.4000121
162G27.1Very low32.1Very low62 Ų62150.4 Ų150.464%0.63980%0.799SS**  trans167.689.2153.900000112.9I164G162-I164 PolarHBondContact O-N 3.2Å; G162-I164 VanDerWaalsContact O-N 3.09Å
163K42.6Very low32.5Very low213 Ų213149.6 Ų149.693%0.92679%0.79SS**  trans-47.3115.9157.9-86.2175.4172.4175.20108.4
164I33.3Very low32.9Very low155 Ų155147.8 Ų147.880%0.79578%0.776SS**  trans-118.2113.4162.5-79.4165.9000107G162G162-I164 PolarHBondContact O-N 3.2Å; G162-I164 VanDerWaalsContact O-N 3.09Å
165C28.8Very low33.2Very low103 Ų103143.6 Ų143.670%0.69677%0.773SS**  trans-53.1155.5178-62.40000112.1V167C165-V167 WeakPolarHBondContact O-CG2 3.44Å; C165-V167 PolarHBondContact O-N 2.79Å
166C38.9Very low33.6Very low138 Ų138148.4 Ų148.493%0.93277%0.773SS**  trans-15.982.9158.2-49.10000116.1
167V33.2Very low33.7Very low122 Ų122146.8 Ų146.874%0.73978%0.776SS**  trans-119.7118.6161.2-169.60000106.4C165C165-V167 WeakPolarHBondContact O-CG2 3.44Å; C165-V167 PolarHBondContact O-N 2.79Å
168R38.3Very low34.1Very low231 Ų231142.7 Ų142.787%0.87276%0.759SS**  trans-43.6135.5167-86.1174.4168.4160.6-4108.7H170R168-H170 PolarHBondContact O-N 2.84Å
169P34.6Very low34.6Very low109 Ų109146 Ų14671%0.70876%0.762SS**PPolyproline II helixtrans-54132.4169-17.929.2000108.7I171P169-I171 PolarHBondContact O-N 2.84Å
170H29.6Very low35Very low161 Ų161144.6 Ų144.675%0.74576%0.76SS**PPolyproline II helixtrans-63.2120.1174.7-161.3-79.9000107.5R168 D172R168-H170 PolarHBondContact O-N 2.84Å; H170-D172 PolarHBondContact O-N 3.06Å
171I43.9Very low35.8Very low143 Ų143142.4 Ų142.473%0.73375%0.748SS**PPolyproline II helixtrans-63.9121.8168.8-72.2165.3000106P169 R173P169-I171 PolarHBondContact O-N 2.84Å; I171-R173 PolarHBondContact O-N 2.83Å; I171-R173 VanDerWaalsContact O-N 3.13Å
172D35.6Very low36.3Very low121 Ų121142.5 Ų142.565%0.64775%0.75SS**PPolyproline II helixtrans-63.2116.3179.2-69.6-42.8000109.4H170 F174H170-D172 PolarHBondContact O-N 3.06Å; D172-F174 HydrophobicContact CB-CD2 4.23Å; D172-F174 HydrophobicContact CB-CE2 3.47Å; D172-F174 VanDerWaalsContact CB-CE2 3.47Å; D172-F174 HydrophobicContact CB-CZ 3.73Å
173R35.9Very low37.1Very low188 Ų188146.3 Ų146.371%0.70976%0.755SS**PPolyproline II helixtrans-101.7116.2177.5-158.1177.3-170.9173.53.3106.8I171 E191I171-R173 PolarHBondContact O-N 2.83Å; I171-R173 VanDerWaalsContact O-N 3.13Å; R173-E191 WeakPolarHBondContact CG-OE1 3.42Å; R173-E191 VanDerWaalsContact CG-OE2 3.26Å; R173-E191 WeakPolarHBondContact CG-OE2 3.15Å; R173-E191 IonicContact NE-OE2 3.47Å
174F35.2Very low36.7Very low135 Ų135139.9 Ų139.959%0.59275%0.748SS**  trans-108.697.9-175.9-66.2-80.9000109.9D172 F176 E191D172-F174 HydrophobicContact CB-CD2 4.23Å; D172-F174 HydrophobicContact CB-CE2 3.47Å; D172-F174 VanDerWaalsContact CB-CE2 3.47Å; D172-F174 HydrophobicContact CB-CZ 3.73Å; F174-F176 HydrophobicContact CB-CE2 4.06Å; F174-E191 VanDerWaalsContact C-OE1 3.3Å; F174-E191 PolarHBondContact N-OE1 2.76Å; F174-E191 VanDerWaalsContact O-OE1 3.12Å
175T32.5Very low36.9Very low120 Ų120138.4 Ų138.474%0.73675%0.749SS**  trans-86.7128.7171.5500000111.3
176F36.3Very low37.3Very low179 Ų179137.4 Ų137.479%0.78575%0.748SS**  trans-123.1138.1167.6-68.9-85.1000110.9F174F174-F176 HydrophobicContact CB-CE2 4.06Å
177V33.7Very low37.3Very low133 Ų133137.6 Ų137.681%0.80674%0.737SS**  trans-119.4125.3172.2-174.40000106.9
178D36.8Very low37.7Very low119 Ų119142.2 Ų142.264%0.63674%0.741SS**  trans-95122.3170.4-178.95.6000108.7N180 A181D178-N180 PolarHBondContact OD1-N 2.84Å; D178-A181 WeakPolarHBondContact OD2-CB 3.37Å
179E39.9Very low38.2Very low180 Ų180137.7 Ų137.784%0.84173%0.725SS**SBendtrans-91.7-1.6179.2-83-171.4156.300113.9
180N39.5Very low38.9Very low152 Ų152139 Ų13981%0.81372%0.721SS**  trans-129.29.2-170-79.4-38.2000117.5D178 N182D178-N180 PolarHBondContact OD1-N 2.84Å; N180-N182 PolarHBondContact O-N 2.72Å
181A45.1Very low40.5Very low56 Ų56135.7 Ų135.746%0.46371%0.707SS.*  trans-90.693.9174.500000112.4D178 L183D178-A181 WeakPolarHBondContact OD2-CB 3.37Å; A181-L183 PolarHBondContact O-N 3.08Å
182N41.4Very low41.7Very low173 Ų173134 Ų13493%0.92570%0.698SS**  trans-78.346.2167.6-139.90.9000111.7N180N180-N182 PolarHBondContact O-N 2.72Å
183L43.7Very low44Very low142 Ų142132.6 Ų132.674%0.74369%0.687SS**SBendtrans-119.3111.5170.3-73.4162.6000105.7A181A181-L183 PolarHBondContact O-N 3.08Å
184G35.2Very low46.5Very low77 Ų77126.1 Ų126.179%0.79467%0.666SS**SBendtrans-61.1169.2170.500000111.2
185P36.4Very low49.3Very low124 Ų124122.5 Ų122.581%0.80565%0.649SS**SBend-66135.5-63.923-8000110.3M187P185-M187 PolarHBondContact O-N 3.46Å
186A37.7Very low52.4Low82 Ų82117 Ų11768%0.67862%0.615SS**  trans-49.4108.2170.400000109.9R188A186-R188 PolarHBondContact O-N 3.36Å
187M39.3Very low55.4Low142 Ų142108.8 Ų108.870%0.758%0.579SS**  trans-69.885171.2-155.7-178.68700106P185 Y189P185-M187 PolarHBondContact O-N 3.46Å; M187-Y189 HydrophobicContact CE-CD2 4.48Å; M187-Y189 HydrophobicContact CE-CE1 4Å; M187-Y189 HydrophobicContact CE-CE2 3.97Å; M187-Y189 PolarHBondContact O-N 3.3Å
188R41.8Very low58.5Low220 Ų220102.5 Ų102.583%0.8354%0.541SS*.  trans-57.2110.9165.5-70.9-176.9-177166.61104.7A186 E190A186-R188 PolarHBondContact O-N 3.36Å; R188-E190 PolarHBondContact O-N 3.12Å
189Y47.4Very low61.4Low135 Ų13596.8 Ų96.853%0.52951%0.511SS..  trans-59.594.6159.8-78.2-90.7000104.7M187 E191M187-Y189 HydrophobicContact CE-CD2 4.48Å; M187-Y189 HydrophobicContact CE-CE1 4Å; M187-Y189 HydrophobicContact CE-CE2 3.97Å; M187-Y189 PolarHBondContact O-N 3.3Å; Y189-E191 PolarHBondContact O-N 2.94Å
190E51.1Low64.2Low136 Ų13688.4 Ų88.464%0.63647%0.471SS*.  trans-48.9127.3162-76-180166.400105.5R188 I192R188-E190 PolarHBondContact O-N 3.12Å; E190-I192 WeakPolarHBondContact O-CG1 3.38Å; E190-I192 PolarHBondContact O-N 3.48Å
191E61.6Low66.8Low93 Ų9381.4 Ų81.444%0.43544%0.435SS..  trans-53.1101.3179.7-70.7175.9133.700108.1R173 F174 Y189 E193R173-E191 WeakPolarHBondContact CG-OE1 3.42Å; R173-E191 VanDerWaalsContact CG-OE2 3.26Å; R173-E191 WeakPolarHBondContact CG-OE2 3.15Å; R173-E191 IonicContact NE-OE2 3.47Å; F174-E191 VanDerWaalsContact C-OE1 3.3Å; F174-E191 PolarHBondContact N-OE1 2.76Å; F174-E191 VanDerWaalsContact O-OE1 3.12Å; Y189-E191 PolarHBondContact O-N 2.94Å; E191-E193 PolarHBondContact O-N 2.95Å
192I70.5Confident69Low107 Ų10778.9 Ų78.955%0.54941%0.414SS..  trans-69.3103.4-179.8-61.4-179.4000106.3H8 E190 L194H8-I192 HydrophobicContact CB-CG2 4.02Å; H8-I192 WeakPolarHBondContact ND1-CG2 3.16Å; E190-I192 WeakPolarHBondContact O-CG1 3.38Å; E190-I192 PolarHBondContact O-N 3.48Å; I192-L194 PolarHBondContact O-N 3.38Å; I192-L194 VanDerWaalsContact O-N 3.09Å
193E83.8Confident71.4Confident91 Ų9174.9 Ų74.943%0.42539%0.393SS..  trans-67.2109.5172.6-169.6-167178.800108.4T7 H8 E191T7-E193 HydrophobicContact CG2-CB 4.29Å; T7-E193 HydrophobicContact CG2-CG 3.97Å; T7-E193 PolarHBondContact OG1-OE2 2.95Å; H8-E193 PolarHBondContact N-O 3.44Å; E191-E193 PolarHBondContact O-N 2.95Å
194L88.7Confident73.8Confident52 Ų5269.8 Ų69.827%0.27237%0.366SS..EExtended strand (participates in β ladder)trans-109.4125.9178.3178.662.2000110.5H8 I10 I44 M106 I192H8-L194 HydrophobicContact CB-CD1 4.01Å; H8-L194 CarbonylContact O-C 3.6Å; H8-L194 WeakPolarHBondContact O-CA 3.32Å; I10-L194 HydrophobicContact CD1-CD1 4.43Å; I44-L194 HydrophobicContact CD1-CD1 3.59Å; I44-L194 HydrophobicContact CG1-CD1 4.3Å; M106-L194 HydrophobicContact CB-CD2 4.25Å; M106-L194 HydrophobicContact CE-CD2 3.92Å; M106-L194 HydrophobicContact CE-CG 3.9Å; M106-L194 HydrophobicContact CG-CD2 4.48Å; M106-L194 HydrophobicContact SD-CD2 3.98Å; M106-L194 HydrophobicContact SD-CG 4.31Å; I192-L194 PolarHBondContact O-N 3.38Å; I192-L194 VanDerWaalsContact O-N 3.09Å
195R93.9Very high76.7Confident60 Ų6066.1 Ų66.123%0.22633%0.328CS..EExtended strand (participates in β ladder)trans-125.4151.8178.8-65.2-176.963.8-172-5.5112.1T7 H8 V9 I10 F226 N254T7-R195 HydrophobicContact CG2-CB 4.39Å; T7-R195 HydrophobicContact CG2-CG 3.9Å; H8-R195 PolarHBondContact O-N 3.01Å; V9-R195 CarbonylContact C-O 3.58Å; V9-R195 WeakPolarHBondContact CA-O 3.43Å; I10-R195 PolarHBondContact N-O 3.42Å; R195-F226 PolarHBondContact NH2-O 3.25Å; R195-N254 PolarHBondContact NH2-OD1 2.87Å
196I97Very high79.5Confident5 Ų565.2 Ų65.23%0.02631%0.314CS..EExtended strand (participates in β ladder)trans-102.6130.8162.6-52.6-169.3000107.7I10 L12 L99 H102 R103 M106 F226I10-I196 WeakPolarHBondContact O-CA 3.43Å; L12-I196 HydrophobicContact CB-CG2 3.71Å; L12-I196 HydrophobicContact CD2-CG2 4.36Å; L99-I196 HydrophobicContact CD2-CG2 3.78Å; H102-I196 HydrophobicContact CB-CD1 3.34Å; R103-I196 HydrophobicContact CB-CD1 4.42Å; R103-I196 VanDerWaalsContact N-CD1 3.31Å; M106-I196 HydrophobicContact CE-CD1 3.52Å; M106-I196 HydrophobicContact CE-CG1 3.13Å; M106-I196 HydrophobicContact CG-CD1 4.46Å; M106-I196 HydrophobicContact SD-CD1 3.61Å; M106-I196 HydrophobicContact SD-CG1 3.55Å; M106-I196 VanDerWaalsContact SD-CG1 3.55Å; I196-F226 HydrophobicContact CB-CD1 4.1Å; I196-F226 HydrophobicContact CB-CE1 4.35Å
197L98.6Very high82.2Confident5 Ų562.2 Ų62.23%0.02629%0.287CS..EExtended strand (participates in β ladder)trans-113.1138.2170.4-54.7-178.4000109.2V9 I10 L11 L12 L35 L199 F226 V229V9-L197 HydrophobicContact CG1-CB 4.23Å; V9-L197 HydrophobicContact CG1-CD1 3.68Å; V9-L197 HydrophobicContact CG1-CG 3.67Å; V9-L197 HydrophobicContact CG2-CD1 4.19Å; V9-L197 HydrophobicContact CG2-CG 4.49Å; I10-L197 PolarHBondContact O-N 3.25Å; L11-L197 HydrophobicContact CD2-CB 4.17Å; L12-L197 PolarHBondContact N-O 3.23Å; L35-L197 HydrophobicContact CD1-CD1 4.41Å; L197-L199 PolarHBondContact O-N 2.64Å; L197-F226 WeakPolarHBondContact CD2-O 3.4Å; L197-V229 HydrophobicContact CB-CG2 4.06Å; L197-V229 HydrophobicContact CD1-CG2 3.6Å; L197-V229 HydrophobicContact CG-CG2 4.48Å
198L98.8Very high84.9Confident1 Ų155.9 Ų55.91%0.00526%0.256CS..EExtended strand (participates in β ladder)trans-71.9121.7170.5179.166.1000109L12 T95 L99 L204 I222 G227 I228 V229L12-L198 CarbonylContact O-C 3.54Å; L12-L198 WeakPolarHBondContact O-CA 3.43Å; T95-L198 HydrophobicContact CG2-CD1 3.79Å; T95-L198 HydrophobicContact CG2-CD2 4.08Å; L99-L198 HydrophobicContact CD1-CB 4.3Å; L99-L198 HydrophobicContact CD2-CB 4.32Å; L198-L204 HydrophobicContact CD2-CD2 4.18Å; L198-I222 HydrophobicContact CD2-CG2 3.64Å; L198-G227 PolarHBondContact N-O 3.46Å; L198-I228 HydrophobicContact CB-CG1 4.27Å; L198-I228 HydrophobicContact CD2-CD1 4.18Å; L198-I228 HydrophobicContact CD2-CG1 4.4Å; L198-I228 CarbonylContact O-C 3.34Å; L198-I228 VanDerWaalsContact O-CA 3.31Å; L198-I228 WeakPolarHBondContact O-CA 3.4Å; L198-I228 WeakPolarHBondContact O-CG2 3.4Å; L198-V229 PolarHBondContact O-N 3.46Å
199L98.8Very high87.4Confident0 Ų047.7 Ų47.70%023%0.232CC..EExtended strand (participates in β ladder)trans-98.9122.3174.2174.763.6000110.3L11 L12 S13 M27 F28 A31 L197 V229 V231L11-L199 HydrophobicContact CB-CB 4.28Å; L11-L199 HydrophobicContact CB-CD2 4.33Å; L11-L199 HydrophobicContact CD1-CD2 4.34Å; L12-L199 PolarHBondContact O-N 2.92Å; S13-L199 WeakPolarHBondContact CB-O 3.27Å; S13-L199 PolarHBondContact OG-O 3.26Å; M27-L199 HydrophobicContact CE-CD2 4.43Å; M27-L199 HydrophobicContact CE-CG 4.17Å; M27-L199 HydrophobicContact CG-CD1 3.84Å; M27-L199 HydrophobicContact CG-CD2 4.12Å; M27-L199 HydrophobicContact CG-CG 3.95Å; M27-L199 HydrophobicContact SD-CD1 4.49Å; M27-L199 HydrophobicContact SD-CG 4.32Å; F28-L199 HydrophobicContact CB-CD2 4.2Å; F28-L199 HydrophobicContact CD1-CD2 3.5Å; F28-L199 VanDerWaalsContact CD1-CD2 3.5Å; F28-L199 HydrophobicContact CD2-CD2 3.86Å; F28-L199 HydrophobicContact CE1-CD2 3.72Å; F28-L199 HydrophobicContact CE2-CD2 4.05Å; F28-L199 HydrophobicContact CG-CD2 3.57Å; F28-L199 HydrophobicContact CZ-CD2 3.99Å; A31-L199 HydrophobicContact CB-CD1 3.43Å; A31-L199 VanDerWaalsContact CB-CD1 3.43Å; A31-L199 HydrophobicContact CB-CD2 4.32Å; L197-L199 PolarHBondContact O-N 2.64Å; L199-V229 WeakPolarHBondContact CA-O 3.25Å; L199-V229 HydrophobicContact CD1-CB 4.22Å; L199-V229 HydrophobicContact CD1-CG1 4.27Å; L199-V231 HydrophobicContact CD1-CG2 4.08Å
200C97.3Very high89.7Confident3 Ų345.6 Ų45.62%0.0223%0.229CC..EExtended strand (participates in β ladder)trans-149.1167.5-179.972.80000114.2L204 V229 V230 V231C200-L204 HydrophobicContact CB-CB 3.79Å; C200-L204 HydrophobicContact CB-CD1 4.01Å; C200-L204 HydrophobicContact CB-CD2 3.88Å; C200-L204 HydrophobicContact CB-CG 4.1Å; C200-V229 PolarHBondContact N-O 3.38Å; C200-V230 WeakPolarHBondContact O-CA 3.37Å; C200-V231 PolarHBondContact O-N 3.43Å
201G94.4Very high91.7Very high5 Ų545.2 Ų45.25%0.05224%0.238CC..EExtended strand (participates in β ladder)trans-80.7175.4167.700000112.6D203 L204 L205 V231G201-D203 WeakPolarHBondContact CA-OD1 3.49Å; G201-D203 PolarHBondContact O-N 2.98Å; G201-L204 PolarHBondContact O-N 3.24Å; G201-L205 PolarHBondContact O-N 3.02Å; G201-V231 WeakPolarHBondContact CA-O 3.35Å
202S91.7Very high93.2Very high3 Ų344.7 Ų44.72%0.02126%0.258CS..Hα-helixtrans-65-27173.945.70000113.4L205 E206 R233S202-L205 PolarHBondContact O-N 2.82Å; S202-E206 WeakPolarHBondContact O-CB 3.4Å; S202-E206 PolarHBondContact O-N 3.01Å; S202-R233 PolarHBondContact OG-N 2.81Å; S202-R233 PolarHBondContact OG-O 3.2Å
203D91.8Very high94.4Very high90 Ų9044.1 Ų44.148%0.48126%0.256SS..Hα-helixtrans-63-43176.653.6-28.4000112.6G201 S207 R233G201-D203 WeakPolarHBondContact CA-OD1 3.49Å; G201-D203 PolarHBondContact O-N 2.98Å; D203-S207 PolarHBondContact O-N 3.25Å; D203-S207 VanDerWaalsContact O-N 3.13Å; D203-R233 IonicContact OD2-NH1 2.85Å
204L94.7Very high95Very high34 Ų3441.9 Ų41.918%0.17824%0.243CC..Hα-helixtrans-69.3-41.2173.8-170.3149000111.1L198 C200 G201 E206 S207 F208 W214L198-L204 HydrophobicContact CD2-CD2 4.18Å; C200-L204 HydrophobicContact CB-CB 3.79Å; C200-L204 HydrophobicContact CB-CD1 4.01Å; C200-L204 HydrophobicContact CB-CD2 3.88Å; C200-L204 HydrophobicContact CB-CG 4.1Å; G201-L204 PolarHBondContact O-N 3.24Å; L204-E206 VanDerWaalsContact C-N 3.32Å; L204-E206 PolarHBondContact O-N 3.37Å; L204-S207 WeakPolarHBondContact O-CB 3.34Å; L204-S207 PolarHBondContact O-N 2.94Å; L204-S207 VanDerWaalsContact O-N 3.11Å; L204-S207 PolarHBondContact O-OG 3.46Å; L204-F208 HydrophobicContact CD2-CE2 4.05Å; L204-F208 HydrophobicContact CD2-CZ 3.9Å; L204-W214 HydrophobicContact CD2-CZ2 4.39Å; L204-W214 HydrophobicContact CG-CZ2 4.42Å
205L95.1Very high95.4Very high0 Ų045.8 Ų45.80%026%0.258CS..Hα-helixtrans-59.7-44.2177-175.875.8000111.2G201 S202 S207 F208 V230 T238 I241 M242 L248G201-L205 PolarHBondContact O-N 3.02Å; S202-L205 PolarHBondContact O-N 2.82Å; L205-S207 PolarHBondContact O-N 3.21Å; L205-F208 HydrophobicContact CD1-CD2 4.1Å; L205-F208 HydrophobicContact CD1-CE2 4.37Å; L205-F208 WeakPolarHBondContact O-CB 3.47Å; L205-F208 PolarHBondContact O-N 3.13Å; L205-V230 HydrophobicContact CB-CG1 4.44Å; L205-V230 HydrophobicContact CB-CG2 4.41Å; L205-V230 HydrophobicContact CD1-CG2 4.09Å; L205-V230 HydrophobicContact CD2-CG1 4.28Å; L205-V230 HydrophobicContact CD2-CG2 4.15Å; L205-V230 HydrophobicContact CG-CG2 4.43Å; L205-T238 HydrophobicContact CD2-CG2 4.29Å; L205-I241 HydrophobicContact CD2-CB 4.3Å; L205-I241 HydrophobicContact CD2-CG2 3.97Å; L205-I241 HydrophobicContact CG-CG2 3.87Å; L205-M242 HydrophobicContact CD2-CG 4.37Å; L205-L248 HydrophobicContact CD1-CD1 4.2Å; L205-L248 HydrophobicContact CD1-CD2 4.29Å
206E94.8Very high95.4Very high106 Ų10648.3 Ų48.350%0.49528%0.276SS..Hα-helixtrans-62.4-33.9176.5-171.3170.4-152.600111.9S202 L204 F208 C209 I241S202-E206 WeakPolarHBondContact O-CB 3.4Å; S202-E206 PolarHBondContact O-N 3.01Å; L204-E206 VanDerWaalsContact C-N 3.32Å; L204-E206 PolarHBondContact O-N 3.37Å; E206-F208 PolarHBondContact O-N 3.41Å; E206-F208 VanDerWaalsContact O-N 3.16Å; E206-C209 WeakPolarHBondContact O-CB 3.34Å; E206-C209 PolarHBondContact O-N 2.85Å; E206-I241 HydrophobicContact CB-CD1 3.86Å; E206-I241 HydrophobicContact CB-CG1 4.45Å; E206-I241 HydrophobicContact CG-CD1 4.29Å; E206-I241 HydrophobicContact CG-CG1 4.49Å
207S95.4Very high95.4Very high18 Ų1851.6 Ų51.613%0.12630%0.3CS..Hα-helixtrans-61.5-24.4178.8850000113.6D203 L204 L205 C209 I210 W214D203-S207 PolarHBondContact O-N 3.25Å; D203-S207 VanDerWaalsContact O-N 3.13Å; L204-S207 WeakPolarHBondContact O-CB 3.34Å; L204-S207 PolarHBondContact O-N 2.94Å; L204-S207 VanDerWaalsContact O-N 3.11Å; L204-S207 PolarHBondContact O-OG 3.46Å; L205-S207 PolarHBondContact O-N 3.21Å; S207-C209 PolarHBondContact O-N 2.87Å; S207-I210 WeakPolarHBondContact O-CB 3.38Å; S207-I210 PolarHBondContact O-N 3.34Å; S207-W214 PolarHBondContact O-NE1 3.28Å; S207-W214 PolarHBondContact OG-NE1 3.05Å
208F95.9Very high95.3Very high10 Ų1052.6 Ų52.64%0.04431%0.305CS..THydrogen-bonded Turntrans-63.4-16.2172.2-71.1-43.4000113.8L204 L205 E206 W214 M219 I222 I228 L248L204-F208 HydrophobicContact CD2-CE2 4.05Å; L204-F208 HydrophobicContact CD2-CZ 3.9Å; L205-F208 HydrophobicContact CD1-CD2 4.1Å; L205-F208 HydrophobicContact CD1-CE2 4.37Å; L205-F208 WeakPolarHBondContact O-CB 3.47Å; L205-F208 PolarHBondContact O-N 3.13Å; E206-F208 PolarHBondContact O-N 3.41Å; E206-F208 VanDerWaalsContact O-N 3.16Å; F208-W214 HydrophobicContact CD1-CB 4.37Å; F208-W214 AromaticContact CD1-CD1 3.78Å; F208-W214 AromaticContact CD1-CD2 3.55Å; F208-W214 HydrophobicContact CD1-CD2 3.55Å; F208-W214 AromaticContact CD1-CE2 3.61Å; F208-W214 HydrophobicContact CD1-CE3 4.09Å; F208-W214 AromaticContact CD1-CG 3.67Å; F208-W214 HydrophobicContact CD1-CG 3.67Å; F208-W214 HydrophobicContact CD1-CZ2 4.19Å; F208-W214 AromaticContact CD1-NE1 3.73Å; F208-W214 AromaticContact CE1-CD2 3.52Å; F208-W214 HydrophobicContact CE1-CD2 3.52Å; F208-W214 AromaticContact CE1-CE2 3.58Å; F208-W214 AromaticContact CE1-CE3 3.6Å; F208-W214 HydrophobicContact CE1-CE3 3.6Å; F208-W214 HydrophobicContact CE1-CG 4.14Å; F208-W214 AromaticContact CE1-CH2 3.83Å; F208-W214 HydrophobicContact CE1-CH2 3.83Å; F208-W214 AromaticContact CE1-CZ2 3.75Å; F208-W214 HydrophobicContact CE1-CZ2 3.75Å; F208-W214 AromaticContact CE1-CZ3 3.75Å; F208-W214 HydrophobicContact CE1-CZ3 3.75Å; F208-W214 HydrophobicContact CZ-CH2 4.42Å; F208-W214 HydrophobicContact CZ-CZ2 4.47Å; F208-M219 HydrophobicContact CB-CE 3.65Å; F208-M219 HydrophobicContact CB-SD 4.37Å; F208-M219 HydrophobicContact CD1-CE 4.08Å; F208-M219 HydrophobicContact CD1-CG 3.9Å; F208-M219 HydrophobicContact CD1-SD 4.09Å; F208-M219 HydrophobicContact CE1-CG 4.23Å; F208-M219 HydrophobicContact CG-CE 4.01Å; F208-I222 HydrophobicContact CZ-CG2 4.23Å; F208-I228 HydrophobicContact CE2-CD1 3.43Å; F208-I228 VanDerWaalsContact CE2-CD1 3.43Å; F208-I228 HydrophobicContact CZ-CD1 3.88Å; F208-L248 HydrophobicContact CB-CD1 4.1Å; F208-L248 HydrophobicContact CB-CD2 4.47Å; F208-L248 HydrophobicContact CD2-CD1 4.4Å; F208-L248 HydrophobicContact CD2-CD2 3.84Å; F208-L248 HydrophobicContact CE2-CD2 4.48Å; F208-L248 HydrophobicContact CG-CD2 4.41Å
209C94.3Very high95.3Very high48 Ų4852.7 Ų52.732%0.32431%0.305SS..THydrogen-bonded Turntrans-91.6-2.8176.1-62.30000112.8E206 S207 P211E206-C209 WeakPolarHBondContact O-CB 3.34Å; E206-C209 PolarHBondContact O-N 2.85Å; S207-C209 PolarHBondContact O-N 2.87Å; C209-P211 WeakPolarHBondContact O-CD 3.43Å
210I95.1Very high95.2Very high91 Ų9155.7 Ų55.747%0.46732%0.319SS..SBendtrans-82.2116.1179.1-59.7174.3000109.3S207 G212 L213S207-I210 WeakPolarHBondContact O-CB 3.38Å; S207-I210 PolarHBondContact O-N 3.34Å; I210-G212 PolarHBondContact O-N 3.48Å; I210-L213 HydrophobicContact CB-CB 3.92Å; I210-L213 HydrophobicContact CB-CD2 3.97Å; I210-L213 HydrophobicContact CD1-CD2 3.77Å; I210-L213 HydrophobicContact CG1-CD2 4.38Å; I210-L213 HydrophobicContact CG2-CB 3.88Å; I210-L213 HydrophobicContact CG2-CD2 4.24Å; I210-L213 WeakPolarHBondContact O-CB 3.46Å; I210-L213 PolarHBondContact O-N 3.07Å
211P93.3Very high95.2Very high127 Ų12757 Ų5783%0.82533%0.327SS*.THydrogen-bonded Turntrans-59.3129.9-177.4-24.935.2000112.6C209 L213C209-P211 WeakPolarHBondContact O-CD 3.43Å; P211-L213 PolarHBondContact O-N 2.96Å
212G93.4Very high95.4Very high83 Ų8356.7 Ų56.786%0.85632%0.324SS*.THydrogen-bonded Turntrans77.4-4.417700000115.5I210I210-G212 PolarHBondContact O-N 3.48Å
213L95.3Very high95.7Very high95 Ų9556.6 Ų56.650%0.49732%0.323SS..THydrogen-bonded Turntrans-75.9-38.1176.3-176.761.5000112I210 P211I210-L213 HydrophobicContact CB-CB 3.92Å; I210-L213 HydrophobicContact CB-CD2 3.97Å; I210-L213 HydrophobicContact CD1-CD2 3.77Å; I210-L213 HydrophobicContact CG1-CD2 4.38Å; I210-L213 HydrophobicContact CG2-CB 3.88Å; I210-L213 HydrophobicContact CG2-CD2 4.24Å; I210-L213 WeakPolarHBondContact O-CB 3.46Å; I210-L213 PolarHBondContact O-N 3.07Å; P211-L213 PolarHBondContact O-N 2.96Å
214W96.9Very high95.9Very high44 Ų4453.4 Ų53.417%0.16731%0.312CS..SBendtrans-117.4143.5178.2-64.187.8000110.1L204 S207 F208 M219 I222L204-W214 HydrophobicContact CD2-CZ2 4.39Å; L204-W214 HydrophobicContact CG-CZ2 4.42Å; S207-W214 PolarHBondContact O-NE1 3.28Å; S207-W214 PolarHBondContact OG-NE1 3.05Å; F208-W214 HydrophobicContact CD1-CB 4.37Å; F208-W214 AromaticContact CD1-CD1 3.78Å; F208-W214 AromaticContact CD1-CD2 3.55Å; F208-W214 HydrophobicContact CD1-CD2 3.55Å; F208-W214 AromaticContact CD1-CE2 3.61Å; F208-W214 HydrophobicContact CD1-CE3 4.09Å; F208-W214 AromaticContact CD1-CG 3.67Å; F208-W214 HydrophobicContact CD1-CG 3.67Å; F208-W214 HydrophobicContact CD1-CZ2 4.19Å; F208-W214 AromaticContact CD1-NE1 3.73Å; F208-W214 AromaticContact CE1-CD2 3.52Å; F208-W214 HydrophobicContact CE1-CD2 3.52Å; F208-W214 AromaticContact CE1-CE2 3.58Å; F208-W214 AromaticContact CE1-CE3 3.6Å; F208-W214 HydrophobicContact CE1-CE3 3.6Å; F208-W214 HydrophobicContact CE1-CG 4.14Å; F208-W214 AromaticContact CE1-CH2 3.83Å; F208-W214 HydrophobicContact CE1-CH2 3.83Å; F208-W214 AromaticContact CE1-CZ2 3.75Å; F208-W214 HydrophobicContact CE1-CZ2 3.75Å; F208-W214 AromaticContact CE1-CZ3 3.75Å; F208-W214 HydrophobicContact CE1-CZ3 3.75Å; F208-W214 HydrophobicContact CZ-CH2 4.42Å; F208-W214 HydrophobicContact CZ-CZ2 4.47Å; W214-M219 HydrophobicContact CB-CG 3.78Å; W214-M219 HydrophobicContact CB-SD 3.61Å; W214-M219 HydrophobicContact CG-CG 4.46Å; W214-M219 HydrophobicContact CG-SD 4.41Å; W214-I222 HydrophobicContact CE3-CD1 4.18Å; W214-I222 HydrophobicContact CZ3-CD1 3.77Å
215K96.5Very high95.9Very high134 Ų13456.3 Ų56.358%0.58333%0.327SS*.  trans-78.5131.7168.6-64176.6-176.8171.60108.7S217 D218 M219K215-S217 PolarHBondContact O-N 3Å; K215-D218 HydrophobicContact CB-CB 4.18Å; K215-D218 WeakPolarHBondContact O-CB 3.36Å; K215-D218 PolarHBondContact O-N 3.39Å; K215-M219 PolarHBondContact O-N 2.92Å
216D94.4Very high96.1Very high112 Ų11256.7 Ų56.760%0.59933%0.329SS*.Hα-helixtrans-56.2-36177.4-69.72.4000112.4D218 M219 E220D216-D218 PolarHBondContact O-N 3.36Å; D216-M219 PolarHBondContact O-N 3.03Å; D216-E220 WeakPolarHBondContact O-CG 3.36Å; D216-E220 PolarHBondContact O-N 3.37Å
217S96.7Very high96.2Very high75 Ų7551.6 Ų51.652%0.52431%0.306SS..Hα-helixtrans-60.8-42.7174.756.80000112.7K215 M219 E220 V221K215-S217 PolarHBondContact O-N 3Å; S217-M219 VanDerWaalsContact C-N 3.35Å; S217-E220 PolarHBondContact O-N 3.26Å; S217-V221 PolarHBondContact O-N 2.87Å
218D97.8Very high96.4Very high25 Ų2550.8 Ų50.813%0.13430%0.3CS..Hα-helixtrans-69.1-39.9178.8-71.627000109.2T94 C96 K215 D216 V221 I222T94-D218 WeakPolarHBondContact CB-OD2 3.27Å; T94-D218 PolarHBondContact OG1-OD2 3.17Å; T94-D218 VanDerWaalsContact OG1-OD2 3.09Å; C96-D218 HydrophobicContact CB-CB 3.86Å; K215-D218 HydrophobicContact CB-CB 4.18Å; K215-D218 WeakPolarHBondContact O-CB 3.36Å; K215-D218 PolarHBondContact O-N 3.39Å; D216-D218 PolarHBondContact O-N 3.36Å; D218-V221 PolarHBondContact O-N 2.83Å; D218-I222 HydrophobicContact CB-CD1 4.41Å; D218-I222 WeakPolarHBondContact O-CB 3.3Å; D218-I222 WeakPolarHBondContact O-CD1 3.44Å; D218-I222 WeakPolarHBondContact O-CG1 3.33Å; D218-I222 PolarHBondContact O-N 3.33Å
219M97.3Very high96.5Very high4 Ų450.3 Ų50.32%0.0230%0.298CS..Hα-helixtrans-63.6-41.4176.3-67.5177.555.700112.4F208 W214 K215 D216 S217 V221 I222 V223 V247F208-M219 HydrophobicContact CB-CE 3.65Å; F208-M219 HydrophobicContact CB-SD 4.37Å; F208-M219 HydrophobicContact CD1-CE 4.08Å; F208-M219 HydrophobicContact CD1-CG 3.9Å; F208-M219 HydrophobicContact CD1-SD 4.09Å; F208-M219 HydrophobicContact CE1-CG 4.23Å; F208-M219 HydrophobicContact CG-CE 4.01Å; W214-M219 HydrophobicContact CB-CG 3.78Å; W214-M219 HydrophobicContact CB-SD 3.61Å; W214-M219 HydrophobicContact CG-CG 4.46Å; W214-M219 HydrophobicContact CG-SD 4.41Å; K215-M219 PolarHBondContact O-N 2.92Å; D216-M219 PolarHBondContact O-N 3.03Å; S217-M219 VanDerWaalsContact C-N 3.35Å; M219-V221 VanDerWaalsContact C-N 3.27Å; M219-V221 PolarHBondContact O-N 3.49Å; M219-I222 PolarHBondContact O-N 2.89Å; M219-V223 WeakPolarHBondContact O-CB 3.49Å; M219-V223 VanDerWaalsContact O-CG2 3.32Å; M219-V223 WeakPolarHBondContact O-CG2 3.5Å; M219-V223 PolarHBondContact O-N 2.93Å; M219-V247 HydrophobicContact CB-CG1 3.95Å; M219-V247 HydrophobicContact CE-CB 4.11Å; M219-V247 HydrophobicContact CE-CG1 4.46Å
220E96.8Very high96.6Very high62 Ų6248 Ų4829%0.2928%0.282SS..Iπ-helixtrans-62.8-35.3177-72.4-81.9-157.700111.4D216 S217 G224 V247 K250 N251D216-E220 WeakPolarHBondContact O-CG 3.36Å; D216-E220 PolarHBondContact O-N 3.37Å; S217-E220 PolarHBondContact O-N 3.26Å; E220-G224 WeakPolarHBondContact O-CA 3.43Å; E220-G224 PolarHBondContact O-N 3.35Å; E220-V247 HydrophobicContact CG-CG1 4.01Å; E220-V247 HydrophobicContact CG-CG2 4.16Å; E220-K250 IonicContact OE1-NZ 2.77Å; E220-K250 PolarHBondContact OE1-NZ 3.12Å; E220-K250 IonicContact OE2-NZ 3.35Å; E220-K250 PolarHBondContact OE2-NZ 3.45Å; E220-N251 PolarHBondContact OE2-ND2 3.3Å; E220-N251 VanDerWaalsContact OE2-ND2 3.16Å
221V97.9Very high96.6Very high30 Ų3044 Ų4418%0.18226%0.261CS..Iπ-helixtrans-72.4-51.1173.3174.80000111.2C96 S217 D218 M219 V223 D225 F226C96-V221 VanDerWaalsContact SG-CG1 3.54Å; S217-V221 PolarHBondContact O-N 2.87Å; D218-V221 PolarHBondContact O-N 2.83Å; M219-V221 VanDerWaalsContact C-N 3.27Å; M219-V221 PolarHBondContact O-N 3.49Å; V221-V223 PolarHBondContact O-N 3.23Å; V221-D225 HydrophobicContact CG1-CB 4.42Å; V221-D225 WeakPolarHBondContact O-CA 3.44Å; V221-D225 WeakPolarHBondContact O-CB 3.34Å; V221-D225 PolarHBondContact O-N 3.2Å; V221-F226 HydrophobicContact CG1-CD2 3.86Å; V221-F226 HydrophobicContact CG1-CE2 3.64Å; V221-F226 WeakPolarHBondContact O-CD2 3.3Å; V221-F226 PolarHBondContact O-N 3.44Å; V221-F226 VanDerWaalsContact O-N 3.14Å
222I98.4Very high96.5Very high0 Ų038.4 Ų38.40%023%0.225CC..Iπ-helixtrans-58.4-47.4-177.6-66.7164.1000110.9C96 L99 L198 F208 W214 D218 M219 F226 G227 I228C96-I222 HydrophobicContact CB-CD1 4.07Å; C96-I222 HydrophobicContact CB-CG1 3.99Å; L99-I222 HydrophobicContact CD1-CB 4.32Å; L99-I222 HydrophobicContact CD1-CG1 3.84Å; L99-I222 HydrophobicContact CD1-CG2 4.03Å; L198-I222 HydrophobicContact CD2-CG2 3.64Å; F208-I222 HydrophobicContact CZ-CG2 4.23Å; W214-I222 HydrophobicContact CE3-CD1 4.18Å; W214-I222 HydrophobicContact CZ3-CD1 3.77Å; D218-I222 HydrophobicContact CB-CD1 4.41Å; D218-I222 WeakPolarHBondContact O-CB 3.3Å; D218-I222 WeakPolarHBondContact O-CD1 3.44Å; D218-I222 WeakPolarHBondContact O-CG1 3.33Å; D218-I222 PolarHBondContact O-N 3.33Å; M219-I222 PolarHBondContact O-N 2.89Å; I222-F226 WeakPolarHBondContact O-CB 3.43Å; I222-G227 PolarHBondContact O-N 3.2Å; I222-I228 HydrophobicContact CG2-CD1 4Å; I222-I228 HydrophobicContact CG2-CG1 4.26Å
223V97.2Very high96.1Very high0 Ų036.9 Ų36.90%019%0.194CC..Iπ-helixtrans-91.2-34.7-175-163.90000111.8M219 V221 I228 L248 N251 N254 I255M219-V223 WeakPolarHBondContact O-CB 3.49Å; M219-V223 VanDerWaalsContact O-CG2 3.32Å; M219-V223 WeakPolarHBondContact O-CG2 3.5Å; M219-V223 PolarHBondContact O-N 2.93Å; V221-V223 PolarHBondContact O-N 3.23Å; V223-I228 HydrophobicContact CG2-CD1 3.74Å; V223-I228 HydrophobicContact CG2-CG1 4.4Å; V223-L248 HydrophobicContact CG1-CD2 4.3Å; V223-L248 HydrophobicContact CG2-CD2 3.89Å; V223-N251 HydrophobicContact CB-CB 4.2Å; V223-N251 HydrophobicContact CG1-CB 3.6Å; V223-N254 WeakPolarHBondContact O-CB 3.41Å; V223-N254 PolarHBondContact O-ND2 2.93Å; V223-I255 HydrophobicContact CG1-CD1 3.75Å; V223-I255 HydrophobicContact CG1-CG1 3.63Å
224G96.4Very high95.1Very high23 Ų2337.2 Ų37.224%0.23720%0.196CC..Iπ-helixtrans-79.9-49.2-178.400000113.3E220 N254E220-G224 WeakPolarHBondContact O-CA 3.43Å; E220-G224 PolarHBondContact O-N 3.35Å; G224-N254 PolarHBondContact O-ND2 2.91Å; G224-N254 VanDerWaalsContact O-ND2 3.07Å
225D95.8Very high93.9Very high95 Ų9538 Ų3851%0.50822%0.217SC..Iπ-helixtrans-91.6-43.3-172.6-62-18.8000112.3V221V221-D225 HydrophobicContact CG1-CB 4.42Å; V221-D225 WeakPolarHBondContact O-CA 3.44Å; V221-D225 WeakPolarHBondContact O-CB 3.34Å; V221-D225 PolarHBondContact O-N 3.2Å
226F97.9Very high93.2Very high8 Ų833.8 Ų33.84%0.03520%0.203CC..Iπ-helixtrans-84.6-62.9-179.5-71.5-85.5000111.4L99 E100 R103 R195 I196 L197 V221 I222L99-F226 VanDerWaalsContact C-CZ 3.43Å; L99-F226 HydrophobicContact CB-CD1 4.02Å; L99-F226 HydrophobicContact CB-CD2 4.04Å; L99-F226 HydrophobicContact CB-CE1 3.74Å; L99-F226 HydrophobicContact CB-CE2 3.79Å; L99-F226 HydrophobicContact CB-CG 4.16Å; L99-F226 HydrophobicContact CB-CZ 3.64Å; L99-F226 HydrophobicContact CD1-CD2 4.29Å; L99-F226 HydrophobicContact CD1-CG 4.29Å; L99-F226 HydrophobicContact CD2-CB 4.42Å; L99-F226 HydrophobicContact CD2-CD1 3.86Å; L99-F226 HydrophobicContact CD2-CE1 4.28Å; L99-F226 HydrophobicContact CD2-CG 4.11Å; L99-F226 HydrophobicContact CG-CD1 4.44Å; L99-F226 HydrophobicContact CG-CG 4.44Å; L99-F226 WeakPolarHBondContact O-CE1 3.31Å; L99-F226 WeakPolarHBondContact O-CZ 3.35Å; E100-F226 HydrophobicContact CG-CE2 4.01Å; E100-F226 HydrophobicContact CG-CZ 4.03Å; R103-F226 HydrophobicContact CB-CE1 3.85Å; R103-F226 HydrophobicContact CB-CZ 4.06Å; R103-F226 HydrophobicContact CG-CE1 4.4Å; R195-F226 PolarHBondContact NH2-O 3.25Å; I196-F226 HydrophobicContact CB-CD1 4.1Å; I196-F226 HydrophobicContact CB-CE1 4.35Å; L197-F226 WeakPolarHBondContact CD2-O 3.4Å; V221-F226 HydrophobicContact CG1-CD2 3.86Å; V221-F226 HydrophobicContact CG1-CE2 3.64Å; V221-F226 WeakPolarHBondContact O-CD2 3.3Å; V221-F226 PolarHBondContact O-N 3.44Å; V221-F226 VanDerWaalsContact O-N 3.14Å; I222-F226 WeakPolarHBondContact O-CB 3.43Å
227G98Very high92.8Very high0 Ų033 Ų330%020%0.198CC..  trans97.9160.8-171.500000112.1L198 I222 N254L198-G227 PolarHBondContact N-O 3.46Å; I222-G227 PolarHBondContact O-N 3.2Å; G227-N254 VanDerWaalsContact CA-CG 3.46Å; G227-N254 WeakPolarHBondContact CA-ND2 3.33Å; G227-N254 VanDerWaalsContact CA-O 3.27Å; G227-N254 WeakPolarHBondContact CA-O 3.4Å; G227-N254 PolarHBondContact N-ND2 3.46Å
228I98.1Very high92.5Very high1 Ų130.1 Ų30.11%0.00518%0.178CC..EExtended strand (participates in β ladder)trans-128.8139.4-172-54.8-169.6000110L198 F208 I222 V223 V230 N254 I255 T256L198-I228 HydrophobicContact CB-CG1 4.27Å; L198-I228 HydrophobicContact CD2-CD1 4.18Å; L198-I228 HydrophobicContact CD2-CG1 4.4Å; L198-I228 CarbonylContact O-C 3.34Å; L198-I228 VanDerWaalsContact O-CA 3.31Å; L198-I228 WeakPolarHBondContact O-CA 3.4Å; L198-I228 WeakPolarHBondContact O-CG2 3.4Å; F208-I228 HydrophobicContact CE2-CD1 3.43Å; F208-I228 VanDerWaalsContact CE2-CD1 3.43Å; F208-I228 HydrophobicContact CZ-CD1 3.88Å; I222-I228 HydrophobicContact CG2-CD1 4Å; I222-I228 HydrophobicContact CG2-CG1 4.26Å; V223-I228 HydrophobicContact CG2-CD1 3.74Å; V223-I228 HydrophobicContact CG2-CG1 4.4Å; I228-V230 HydrophobicContact CG2-CG2 3.61Å; I228-N254 PolarHBondContact N-O 2.95Å; I228-I255 CarbonylContact O-C 3.59Å; I228-I255 WeakPolarHBondContact O-CA 3.4Å; I228-T256 PolarHBondContact O-N 2.86Å
229V98.3Very high92.2Very high0 Ų032.5 Ų32.50%019%0.188CC..EExtended strand (participates in β ladder)trans-110119.7162.7-1730000109L11 A31 L35 L197 L198 L199 C200 T256 V258L11-V229 HydrophobicContact CD2-CG2 4.14Å; A31-V229 HydrophobicContact CB-CG1 3.85Å; L35-V229 HydrophobicContact CD1-CG2 4.12Å; L35-V229 HydrophobicContact CD2-CG2 4.23Å; L35-V229 HydrophobicContact CG-CG2 4.5Å; L197-V229 HydrophobicContact CB-CG2 4.06Å; L197-V229 HydrophobicContact CD1-CG2 3.6Å; L197-V229 HydrophobicContact CG-CG2 4.48Å; L198-V229 PolarHBondContact O-N 3.46Å; L199-V229 WeakPolarHBondContact CA-O 3.25Å; L199-V229 HydrophobicContact CD1-CB 4.22Å; L199-V229 HydrophobicContact CD1-CG1 4.27Å; C200-V229 PolarHBondContact N-O 3.38Å; V229-T256 CarbonylContact C-O 3.59Å; V229-T256 WeakPolarHBondContact CA-O 3.33Å; V229-V258 HydrophobicContact CG1-CG2 4.01Å
230V97Very high92Very high0 Ų040 Ų400%022%0.216CC..EExtended strand (participates in β ladder)trans-107.1122.9-177.5-174.60000109C200 L205 I228 P232 T238 I255 T256 V257 V258C200-V230 WeakPolarHBondContact O-CA 3.37Å; L205-V230 HydrophobicContact CB-CG1 4.44Å; L205-V230 HydrophobicContact CB-CG2 4.41Å; L205-V230 HydrophobicContact CD1-CG2 4.09Å; L205-V230 HydrophobicContact CD2-CG1 4.28Å; L205-V230 HydrophobicContact CD2-CG2 4.15Å; L205-V230 HydrophobicContact CG-CG2 4.43Å; I228-V230 HydrophobicContact CG2-CG2 3.61Å; V230-P232 WeakPolarHBondContact O-CD 3.32Å; V230-T238 HydrophobicContact CG1-CG2 4.29Å; V230-I255 HydrophobicContact CG2-CG2 3.99Å; V230-T256 PolarHBondContact N-O 3.05Å; V230-V257 HydrophobicContact CB-CG2 4.45Å; V230-V258 PolarHBondContact O-N 3.31Å
231V95.3Very high91.8Very high5 Ų537.7 Ų37.73%0.0321%0.206CC..EExtended strand (participates in β ladder)trans-100.9104.2167.6-175.30000107.9M27 A31 L199 C200 G201 V258 D261M27-V231 HydrophobicContact CG-CB 3.83Å; M27-V231 HydrophobicContact CG-CG2 3.68Å; A31-V231 HydrophobicContact CB-CG2 4.14Å; L199-V231 HydrophobicContact CD1-CG2 4.08Å; C200-V231 PolarHBondContact O-N 3.43Å; G201-V231 WeakPolarHBondContact CA-O 3.35Å; V231-V258 HydrophobicContact CG2-CB 4.26Å; V231-V258 HydrophobicContact CG2-CG2 3.91Å; V231-D261 HydrophobicContact CG1-CB 4.18Å; V231-D261 VanDerWaalsContact CG1-OD2 3.26Å; V231-D261 WeakPolarHBondContact CG1-OD2 3.43Å
232P91.1Very high91.6Very high10 Ų1036.3 Ų36.37%0.06520%0.198CC..  trans-62.7142.3-174.7-2234.2000112.2V230 T238 V257 V258V230-P232 WeakPolarHBondContact O-CD 3.32Å; P232-T238 HydrophobicContact CB-CG2 4.29Å; P232-T238 HydrophobicContact CG-CG2 4.01Å; P232-V257 HydrophobicContact CG-CG1 3.6Å; P232-V258 WeakPolarHBondContact CD-O 3.47Å
233R84.1Confident91.4Very high51 Ų5140.1 Ų40.119%0.19222%0.218CC..  trans-116.5150.8173.9-57.7179.961.9-178.93.4109.6S202 D203 G235 V236 S267 V269S202-R233 PolarHBondContact OG-N 2.81Å; S202-R233 PolarHBondContact OG-O 3.2Å; D203-R233 IonicContact OD2-NH1 2.85Å; R233-G235 PolarHBondContact O-N 3.45Å; R233-G235 VanDerWaalsContact O-N 3.09Å; R233-V236 WeakPolarHBondContact O-CB 3.4Å; R233-V236 WeakPolarHBondContact O-CG2 3.47Å; R233-V236 PolarHBondContact O-N 2.82Å; R233-S267 PolarHBondContact NE-O 3.37Å; R233-S267 PolarHBondContact NH2-O 2.98Å; R233-V269 VanDerWaalsContact NH2-C 3.33Å; R233-V269 PolarHBondContact NH2-O 2.94Å
234D74.9Confident91.1Very high103 Ų10346 Ų4655%0.55125%0.245SC*.THydrogen-bonded Turntrans5134.2172.3-66.6-2.6000115.3V236 I268D234-V236 PolarHBondContact O-N 2.74Å; D234-I268 VanDerWaalsContact OD1-CG2 3.25Å; D234-I268 WeakPolarHBondContact OD1-CG2 3.48Å
235G71.7Confident90.9Very high59 Ų5945.5 Ų45.561%0.60824%0.238SC*.THydrogen-bonded Turntrans65.620.1175.600000114.9R233 D237R233-G235 PolarHBondContact O-N 3.45Å; R233-G235 VanDerWaalsContact O-N 3.09Å; G235-D237 PolarHBondContact O-N 2.98Å
236V81Confident90.8Very high46 Ų4644.6 Ų44.628%0.27924%0.239SC..  trans-60.9133.2-179.4170.70000111.7R233 D234 T238 I241R233-V236 WeakPolarHBondContact O-CB 3.4Å; R233-V236 WeakPolarHBondContact O-CG2 3.47Å; R233-V236 PolarHBondContact O-N 2.82Å; D234-V236 PolarHBondContact O-N 2.74Å; V236-T238 PolarHBondContact O-N 3.36Å; V236-I241 HydrophobicContact CG1-CD1 3.31Å; V236-I241 HydrophobicContact CG1-CG1 4.39Å
237D87.6Confident90.7Very high95 Ų9544.5 Ų44.551%0.50824%0.239SC..  trans-76.691.1174.5-174.7-12000110.8G235 E239 R240 I241G235-D237 PolarHBondContact O-N 2.98Å; D237-E239 PolarHBondContact O-N 2.84Å; D237-E239 WeakPolarHBondContact OD1-CB 3.31Å; D237-E239 PolarHBondContact OD1-N 2.98Å; D237-R240 HydrophobicContact CB-CB 3.97Å; D237-R240 WeakPolarHBondContact O-CB 3.32Å; D237-R240 PolarHBondContact O-N 3.43Å; D237-R240 PolarHBondContact OD1-N 3.38Å; D237-I241 PolarHBondContact O-N 3.31Å
238T90.6Very high90.6Very high15 Ų1544.5 Ų44.59%0.09224%0.239CC..Hα-helixtrans-63.7-29.3178.454.30000113L205 V230 P232 V236 I241 M242 V257L205-T238 HydrophobicContact CD2-CG2 4.29Å; V230-T238 HydrophobicContact CG1-CG2 4.29Å; P232-T238 HydrophobicContact CB-CG2 4.29Å; P232-T238 HydrophobicContact CG-CG2 4.01Å; V236-T238 PolarHBondContact O-N 3.36Å; T238-I241 PolarHBondContact O-N 3.41Å; T238-M242 WeakPolarHBondContact O-CG 3.4Å; T238-M242 PolarHBondContact O-N 3.47Å; T238-V257 HydrophobicContact CG2-CG1 4.05Å
239E91.7Very high90.5Very high75 Ų7551.1 Ų51.135%0.3526%0.264SS..Hα-helixtrans-67.5-41.9177.6-78.7-69.5169.600110.6D237 M242 N243 K252D237-E239 PolarHBondContact O-N 2.84Å; D237-E239 WeakPolarHBondContact OD1-CB 3.31Å; D237-E239 PolarHBondContact OD1-N 2.98Å; E239-M242 HydrophobicContact CG-CE 4.22Å; E239-N243 WeakPolarHBondContact O-CB 3.5Å; E239-N243 PolarHBondContact O-N 3.06Å; E239-N243 VanDerWaalsContact O-N 3.12Å; E239-N243 PolarHBondContact O-ND2 3.13Å; E239-K252 VanDerWaalsContact OE1-CE 3.26Å; E239-K252 WeakPolarHBondContact OE1-CE 3.22Å; E239-K252 IonicContact OE1-NZ 3.72Å; E239-K252 PolarHBondContact OE1-NZ 3.26Å; E239-K252 WeakPolarHBondContact OE2-CE 3.48Å; E239-K252 IonicContact OE2-NZ 2.85Å; E239-K252 PolarHBondContact OE2-NZ 3.09Å
240R92.4Very high90.4Very high161 Ų16157.8 Ų57.861%0.60829%0.293SS*.Hα-helixtrans-58-50.4171-174.5177.8174.9-178.1-1.4110.8D237 M242 N243 H244D237-R240 HydrophobicContact CB-CB 3.97Å; D237-R240 WeakPolarHBondContact O-CB 3.32Å; D237-R240 PolarHBondContact O-N 3.43Å; D237-R240 PolarHBondContact OD1-N 3.38Å; R240-M242 PolarHBondContact O-N 2.99Å; R240-N243 PolarHBondContact O-N 3.27Å; R240-N243 VanDerWaalsContact O-N 3.12Å; R240-H244 VanDerWaalsContact CG-CE1 3.4Å; R240-H244 WeakPolarHBondContact CG-CE1 3.31Å; R240-H244 PolarHBondContact O-N 3.32Å; R240-H244 PolarHBondContact O-ND1 3.07Å
241I92.2Very high90.3Very high14 Ų1459.1 Ų59.17%0.07230%0.3CS..Hα-helixtrans-57-51.3-179.8-66167.8000111.3L205 E206 V236 D237 T238 N243 H244 L248L205-I241 HydrophobicContact CD2-CB 4.3Å; L205-I241 HydrophobicContact CD2-CG2 3.97Å; L205-I241 HydrophobicContact CG-CG2 3.87Å; E206-I241 HydrophobicContact CB-CD1 3.86Å; E206-I241 HydrophobicContact CB-CG1 4.45Å; E206-I241 HydrophobicContact CG-CD1 4.29Å; E206-I241 HydrophobicContact CG-CG1 4.49Å; V236-I241 HydrophobicContact CG1-CD1 3.31Å; V236-I241 HydrophobicContact CG1-CG1 4.39Å; D237-I241 PolarHBondContact O-N 3.31Å; T238-I241 PolarHBondContact O-N 3.41Å; I241-N243 PolarHBondContact O-N 3.43Å; I241-N243 VanDerWaalsContact O-N 3.14Å; I241-H244 PolarHBondContact O-N 3.36Å; I241-L248 HydrophobicContact CG2-CD1 4.27Å
242M93.6Very high90.3Very high2 Ų262.5 Ų62.51%0.0131%0.314CS..Hα-helixtrans-57.2-33.8-179.7-72.6-175.3-66.700111.6L205 T238 E239 R240 H244 L248 R249 K252 I255 V257L205-M242 HydrophobicContact CD2-CG 4.37Å; T238-M242 WeakPolarHBondContact O-CG 3.4Å; T238-M242 PolarHBondContact O-N 3.47Å; E239-M242 HydrophobicContact CG-CE 4.22Å; R240-M242 PolarHBondContact O-N 2.99Å; M242-H244 VanDerWaalsContact C-N 3.34Å; M242-H244 PolarHBondContact O-N 3.35Å; M242-L248 HydrophobicContact CB-CB 4.45Å; M242-R249 WeakPolarHBondContact O-CG 3.45Å; M242-R249 PolarHBondContact O-N 2.93Å; M242-K252 HydrophobicContact SD-CG 4.08Å; M242-I255 HydrophobicContact CG-CD1 4.08Å; M242-I255 HydrophobicContact SD-CB 4.05Å; M242-I255 HydrophobicContact SD-CD1 3.87Å; M242-I255 HydrophobicContact SD-CG2 3.82Å; M242-V257 HydrophobicContact CE-CG2 4.26Å
243N93.4Very high90.5Very high80 Ų8070 Ų7043%0.42835%0.354SS..Hα-helixtrans-73.2-18.3179-76.1-46.4000115.3E239 R240 I241 R249E239-N243 WeakPolarHBondContact O-CB 3.5Å; E239-N243 PolarHBondContact O-N 3.06Å; E239-N243 VanDerWaalsContact O-N 3.12Å; E239-N243 PolarHBondContact O-ND2 3.13Å; R240-N243 PolarHBondContact O-N 3.27Å; R240-N243 VanDerWaalsContact O-N 3.12Å; I241-N243 PolarHBondContact O-N 3.43Å; I241-N243 VanDerWaalsContact O-N 3.14Å; N243-R249 HydrophobicContact CB-CG 4.5Å; N243-R249 WeakPolarHBondContact O-CD 3.39Å; N243-R249 PolarHBondContact O-NE 3.47Å
244H91.3Very high91.1Very high124 Ų12469.2 Ų69.257%0.57435%0.353SS*.Hα-helixtrans-81.3-25.9-179.1-74.763.2000113.1R240 I241 M242R240-H244 VanDerWaalsContact CG-CE1 3.4Å; R240-H244 WeakPolarHBondContact CG-CE1 3.31Å; R240-H244 PolarHBondContact O-N 3.32Å; R240-H244 PolarHBondContact O-ND1 3.07Å; I241-H244 PolarHBondContact O-N 3.36Å; M242-H244 VanDerWaalsContact C-N 3.34Å; M242-H244 PolarHBondContact O-N 3.35Å
245S92.6Very high92.2Very high12 Ų1265 Ų658%0.08433%0.331CS..  trans-103.8131.7178.5169.90000111.2V247 L248 R249S245-V247 VanDerWaalsContact C-N 3.33Å; S245-V247 PolarHBondContact O-N 3.31Å; S245-V247 PolarHBondContact OG-N 2.87Å; S245-L248 PolarHBondContact O-N 3.43Å; S245-L248 PolarHBondContact OG-N 3.08Å; S245-R249 WeakPolarHBondContact O-CB 3.26Å; S245-R249 WeakPolarHBondContact O-CG 3.42Å; S245-R249 PolarHBondContact O-N 3.08Å
246S94Very high93.4Very high76 Ų7663.6 Ų63.653%0.53131%0.31SS..Hα-helixtrans-61.1-41.3175.251.20000112K250S246-K250 VanDerWaalsContact O-CB 3.23Å; S246-K250 WeakPolarHBondContact O-CB 3.06Å; S246-K250 PolarHBondContact O-N 3.35Å
247V95.1Very high94.1Very high5 Ų562.3 Ų62.33%0.0330%0.303CS..Hα-helixtrans-66.8-44.1179-179.70000111M219 E220 S245 K250 N251M219-V247 HydrophobicContact CB-CG1 3.95Å; M219-V247 HydrophobicContact CE-CB 4.11Å; M219-V247 HydrophobicContact CE-CG1 4.46Å; E220-V247 HydrophobicContact CG-CG1 4.01Å; E220-V247 HydrophobicContact CG-CG2 4.16Å; S245-V247 VanDerWaalsContact C-N 3.33Å; S245-V247 PolarHBondContact O-N 3.31Å; S245-V247 PolarHBondContact OG-N 2.87Å; V247-K250 PolarHBondContact O-N 2.77Å; V247-N251 PolarHBondContact O-N 2.99Å; V247-N251 VanDerWaalsContact O-N 3.11Å; V247-N251 PolarHBondContact O-ND2 3.19Å
248L96Very high94.4Very high0 Ų057.8 Ų57.80%028%0.279CS..Hα-helixtrans-64.9-45177.4-61.9-176000111.7L205 F208 V223 I241 M242 S245 K250 N251 K252 I255L205-L248 HydrophobicContact CD1-CD1 4.2Å; L205-L248 HydrophobicContact CD1-CD2 4.29Å; F208-L248 HydrophobicContact CB-CD1 4.1Å; F208-L248 HydrophobicContact CB-CD2 4.47Å; F208-L248 HydrophobicContact CD2-CD1 4.4Å; F208-L248 HydrophobicContact CD2-CD2 3.84Å; F208-L248 HydrophobicContact CE2-CD2 4.48Å; F208-L248 HydrophobicContact CG-CD2 4.41Å; V223-L248 HydrophobicContact CG1-CD2 4.3Å; V223-L248 HydrophobicContact CG2-CD2 3.89Å; I241-L248 HydrophobicContact CG2-CD1 4.27Å; M242-L248 HydrophobicContact CB-CB 4.45Å; S245-L248 PolarHBondContact O-N 3.43Å; S245-L248 PolarHBondContact OG-N 3.08Å; L248-K250 PolarHBondContact O-N 2.85Å; L248-N251 CarbonylContact O-C 3.59Å; L248-N251 PolarHBondContact O-N 3.3Å; L248-K252 PolarHBondContact O-N 2.93Å; L248-K252 VanDerWaalsContact O-N 3.1Å; L248-I255 HydrophobicContact CB-CD1 4.25Å; L248-I255 HydrophobicContact CD2-CD1 3.99Å
249R95.6Very high94.3Very high141 Ų14164.9 Ų64.953%0.53231%0.308SS..Hα-helixtrans-58.7-47175.6-78.2-166.6-65.4-174.53.9112.5M242 N243 S245 N251 K252M242-R249 WeakPolarHBondContact O-CG 3.45Å; M242-R249 PolarHBondContact O-N 2.93Å; N243-R249 HydrophobicContact CB-CG 4.5Å; N243-R249 WeakPolarHBondContact O-CD 3.39Å; N243-R249 PolarHBondContact O-NE 3.47Å; S245-R249 WeakPolarHBondContact O-CB 3.26Å; S245-R249 WeakPolarHBondContact O-CG 3.42Å; S245-R249 PolarHBondContact O-N 3.08Å; R249-N251 VanDerWaalsContact C-N 3.28Å; R249-N251 PolarHBondContact O-N 3.21Å; R249-K252 WeakPolarHBondContact O-CB 3.08Å; R249-K252 PolarHBondContact O-N 3.36Å
250K96.6Very high93.7Very high139 Ų13964.9 Ų64.960%0.60431%0.311SS*.Hα-helixtrans-61.5-37.4-178.1175.6-173.3166.3-148.90111.9E220 S246 V247 L248E220-K250 IonicContact OE1-NZ 2.77Å; E220-K250 PolarHBondContact OE1-NZ 3.12Å; E220-K250 IonicContact OE2-NZ 3.35Å; E220-K250 PolarHBondContact OE2-NZ 3.45Å; S246-K250 VanDerWaalsContact O-CB 3.23Å; S246-K250 WeakPolarHBondContact O-CB 3.06Å; S246-K250 PolarHBondContact O-N 3.35Å; V247-K250 PolarHBondContact O-N 2.77Å; L248-K250 PolarHBondContact O-N 2.85Å
251N96.3Very high93Very high29 Ų2957.5 Ų57.516%0.15528%0.283CS..THydrogen-bonded Turntrans-105.423.4-175.5-62.3-67.5000112.9E220 V223 V247 L248 R249 D253 N254E220-N251 PolarHBondContact OE2-ND2 3.3Å; E220-N251 VanDerWaalsContact OE2-ND2 3.16Å; V223-N251 HydrophobicContact CB-CB 4.2Å; V223-N251 HydrophobicContact CG1-CB 3.6Å; V247-N251 PolarHBondContact O-N 2.99Å; V247-N251 VanDerWaalsContact O-N 3.11Å; V247-N251 PolarHBondContact O-ND2 3.19Å; L248-N251 CarbonylContact O-C 3.59Å; L248-N251 PolarHBondContact O-N 3.3Å; R249-N251 VanDerWaalsContact C-N 3.28Å; R249-N251 PolarHBondContact O-N 3.21Å; N251-D253 VanDerWaalsContact C-N 3.25Å; N251-D253 PolarHBondContact O-N 3.48Å; N251-N254 WeakPolarHBondContact O-CB 3.31Å; N251-N254 PolarHBondContact O-N 3.05Å
252K95.6Very high92.1Very high75 Ų7558.3 Ų58.333%0.32629%0.292SS..G310 helixtrans-55.5-36.5-174.1-177.7175174.4178.10113.7E239 M242 L248 R249 N254 I255E239-K252 VanDerWaalsContact OE1-CE 3.26Å; E239-K252 WeakPolarHBondContact OE1-CE 3.22Å; E239-K252 IonicContact OE1-NZ 3.72Å; E239-K252 PolarHBondContact OE1-NZ 3.26Å; E239-K252 WeakPolarHBondContact OE2-CE 3.48Å; E239-K252 IonicContact OE2-NZ 2.85Å; E239-K252 PolarHBondContact OE2-NZ 3.09Å; M242-K252 HydrophobicContact SD-CG 4.08Å; L248-K252 PolarHBondContact O-N 2.93Å; L248-K252 VanDerWaalsContact O-N 3.1Å; R249-K252 WeakPolarHBondContact O-CB 3.08Å; R249-K252 PolarHBondContact O-N 3.36Å; K252-N254 PolarHBondContact O-N 3.24Å; K252-I255 PolarHBondContact O-N 3.18Å
253D95Very high91.4Very high169 Ų16965.9 Ų65.990%0.90433%0.333SS*.G310 helixtrans-66.3-16.7178.9-65.3-29.7000113.4N251N251-D253 VanDerWaalsContact C-N 3.25Å; N251-D253 PolarHBondContact O-N 3.48Å
254N96.9Very high91.2Very high33 Ų3365.6 Ų65.618%0.17633%0.329CS..G310 helixtrans-97.56.9175.3-149.625000112.8R195 V223 G224 G227 I228 N251 K252R195-N254 PolarHBondContact NH2-OD1 2.87Å; V223-N254 WeakPolarHBondContact O-CB 3.41Å; V223-N254 PolarHBondContact O-ND2 2.93Å; G224-N254 PolarHBondContact O-ND2 2.91Å; G224-N254 VanDerWaalsContact O-ND2 3.07Å; G227-N254 VanDerWaalsContact CA-CG 3.46Å; G227-N254 WeakPolarHBondContact CA-ND2 3.33Å; G227-N254 VanDerWaalsContact CA-O 3.27Å; G227-N254 WeakPolarHBondContact CA-O 3.4Å; G227-N254 PolarHBondContact N-ND2 3.46Å; I228-N254 PolarHBondContact N-O 2.95Å; N251-N254 WeakPolarHBondContact O-CB 3.31Å; N251-N254 PolarHBondContact O-N 3.05Å; K252-N254 PolarHBondContact O-N 3.24Å
255I97.3Very high91Very high14 Ų1463.9 Ų63.97%0.07233%0.329CS..EExtended strand (participates in β ladder)trans-110110.2175.1-54.4173.7000108.5V223 I228 V230 M242 L248 K252 V257V223-I255 HydrophobicContact CG1-CD1 3.75Å; V223-I255 HydrophobicContact CG1-CG1 3.63Å; I228-I255 CarbonylContact O-C 3.59Å; I228-I255 WeakPolarHBondContact O-CA 3.4Å; V230-I255 HydrophobicContact CG2-CG2 3.99Å; M242-I255 HydrophobicContact CG-CD1 4.08Å; M242-I255 HydrophobicContact SD-CB 4.05Å; M242-I255 HydrophobicContact SD-CD1 3.87Å; M242-I255 HydrophobicContact SD-CG2 3.82Å; L248-I255 HydrophobicContact CB-CD1 4.25Å; L248-I255 HydrophobicContact CD2-CD1 3.99Å; K252-I255 PolarHBondContact O-N 3.18Å; I255-V257 HydrophobicContact CG2-CG2 4.35Å
256T96.8Very high91Very high30 Ų3065.1 Ų65.118%0.18433%0.333CS..EExtended strand (participates in β ladder)trans-95.7113.5175.7-60.80000110Y34 L35 I228 V229 V230Y34-T256 HydrophobicContact CD1-CG2 3.91Å; Y34-T256 HydrophobicContact CE1-CG2 3.65Å; L35-T256 HydrophobicContact CD2-CG2 4.12Å; I228-T256 PolarHBondContact O-N 2.86Å; V229-T256 CarbonylContact C-O 3.59Å; V229-T256 WeakPolarHBondContact CA-O 3.33Å; V230-T256 PolarHBondContact N-O 3.05Å
257V95.7Very high90.6Very high20 Ų2062 Ų6212%0.12131%0.311CS..EExtended strand (participates in β ladder)trans-96123.7174.7-176.80000110.1Y34 V230 P232 T238 M242 I255 K259Y34-V257 PolarHBondContact OH-O 3.22Å; V230-V257 HydrophobicContact CB-CG2 4.45Å; P232-V257 HydrophobicContact CG-CG1 3.6Å; T238-V257 HydrophobicContact CG2-CG1 4.05Å; M242-V257 HydrophobicContact CE-CG2 4.26Å; I255-V257 HydrophobicContact CG2-CG2 4.35Å; V257-K259 PolarHBondContact O-N 3.07Å
258V94.5Very high90.2Very high0 Ų065.6 Ų65.60%033%0.329CS..  trans-75.6111.1175.1177.20000109.5K30 Y34 V229 V230 V231 P232 D260 D261K30-V258 HydrophobicContact CG-CG1 3.67Å; Y34-V258 HydrophobicContact CD1-CG2 4.05Å; Y34-V258 HydrophobicContact CD2-CB 4.36Å; Y34-V258 HydrophobicContact CD2-CG1 3.93Å; Y34-V258 HydrophobicContact CD2-CG2 4.48Å; Y34-V258 HydrophobicContact CG-CB 4.24Å; Y34-V258 HydrophobicContact CG-CG1 4.06Å; Y34-V258 HydrophobicContact CG-CG2 3.88Å; V229-V258 HydrophobicContact CG1-CG2 4.01Å; V230-V258 PolarHBondContact O-N 3.31Å; V231-V258 HydrophobicContact CG2-CB 4.26Å; V231-V258 HydrophobicContact CG2-CG2 3.91Å; P232-V258 WeakPolarHBondContact CD-O 3.47Å; V258-D260 WeakPolarHBondContact CG1-OD1 3.36Å; V258-D261 HydrophobicContact CG1-CB 4.11Å
259K86.9Confident90Very high163 Ų16365.8 Ų65.871%0.70933%0.331SS*.  trans-88.6-18.7-169-62.1-174179.9-178.80114.9V257V257-K259 PolarHBondContact O-N 3.07Å
260D79.4Confident89.8Confident75 Ų7560.1 Ų60.140%0.40131%0.313SS..SBendtrans-10219.7-168.963.1-29.3000113.9K30 Y34 K37 V258K30-D260 WeakPolarHBondContact CE-OD1 3.17Å; K30-D260 WeakPolarHBondContact CE-OD2 3.47Å; K30-D260 IonicContact NZ-OD1 2.82Å; K30-D260 PolarHBondContact NZ-OD1 3.31Å; K30-D260 IonicContact NZ-OD2 2.91Å; K30-D260 PolarHBondContact NZ-OD2 2.92Å; Y34-D260 WeakPolarHBondContact CD2-OD1 3.44Å; K37-D260 IonicContact NZ-OD2 2.65Å; K37-D260 PolarHBondContact NZ-OD2 3.14Å; V258-D260 WeakPolarHBondContact CG1-OD1 3.36Å
261D78.8Confident89.7Confident6 Ų654.4 Ų54.43%0.03229%0.29CS..  trans-123.8-9-173.5-156.653.3000116.2H26 K30 V231 V258 N263 H264H26-D261 IonicContact CD2-OD1 2.76Å; H26-D261 IonicContact CD2-OD2 3.85Å; H26-D261 PolarHBondContact CD2-OD2 3.24Å; H26-D261 IonicContact CE1-OD1 3.81Å; H26-D261 PolarHBondContact CE1-OD1 2.91Å; H26-D261 IonicContact NE2-OD1 2.59Å; H26-D261 PolarHBondContact NE2-OD1 3.36Å; H26-D261 IonicContact NE2-OD2 3.97Å; H26-D261 PolarHBondContact NE2-OD2 3.21Å; K30-D261 HydrophobicContact CD-CB 4Å; K30-D261 VanDerWaalsContact CD-OD1 3.3Å; K30-D261 WeakPolarHBondContact CD-OD1 3.17Å; K30-D261 HydrophobicContact CG-CB 3.71Å; K30-D261 VanDerWaalsContact CG-CG 3.5Å; V231-D261 HydrophobicContact CG1-CB 4.18Å; V231-D261 VanDerWaalsContact CG1-OD2 3.26Å; V231-D261 WeakPolarHBondContact CG1-OD2 3.43Å; V258-D261 HydrophobicContact CG1-CB 4.11Å; D261-N263 PolarHBondContact O-N 2.86Å; D261-H264 WeakPolarHBondContact O-CB 3.36Å; D261-H264 PolarHBondContact O-N 2.81Å; D261-H264 WeakPolarHBondContact OD1-CB 3.45Å; D261-H264 IonicContact OD1-CG 3.22Å
262A72Confident89.6Confident31 Ų3156.4 Ų56.426%0.25630%0.304SS..THydrogen-bonded Turntrans-57.1-31-168.400000114.2S267A262-S267 PolarHBondContact O-OG 3.2Å
263N80.6Confident89.4Confident162 Ų16256.8 Ų56.887%0.86631%0.305SS*.THydrogen-bonded Turntrans-96.34.2-177.7-63.2-26.5000113.9D261D261-N263 PolarHBondContact O-N 2.86Å
264H88.1Confident89.4Confident74 Ų7448.7 Ų48.734%0.34326%0.262SS..SBendtrans-70.5139.1-178.5-169.5-98000110.8H26 D261 M266 S267H26-H264 AromaticContact CD2-ND1 3.79Å; H26-H264 AromaticContact CE1-CD2 3.83Å; H26-H264 AromaticContact CE1-CE1 3.19Å; H26-H264 PolarHBondContact CE1-CE1 3.19Å; H26-H264 AromaticContact CE1-CG 3.52Å; H26-H264 AromaticContact CE1-ND1 3.1Å; H26-H264 PolarHBondContact CE1-ND1 3.46Å; H26-H264 AromaticContact CE1-NE2 3.66Å; H26-H264 AromaticContact CG-ND1 3.94Å; H26-H264 AromaticContact ND1-CE1 3.33Å; H26-H264 PolarHBondContact ND1-CE1 3.29Å; H26-H264 VanDerWaalsContact ND1-CE1 3.33Å; H26-H264 AromaticContact ND1-ND1 3.53Å; H26-H264 AromaticContact NE2-CE1 3.82Å; H26-H264 AromaticContact NE2-CG 3.59Å; H26-H264 AromaticContact NE2-ND1 3.24Å; H26-H264 PolarHBondContact NE2-ND1 3.29Å; D261-H264 WeakPolarHBondContact O-CB 3.36Å; D261-H264 PolarHBondContact O-N 2.81Å; D261-H264 WeakPolarHBondContact OD1-CB 3.45Å; D261-H264 IonicContact OD1-CG 3.22Å; H264-M266 VanDerWaalsContact CE1-CG 3.48Å; H264-M266 WeakPolarHBondContact CE1-CG 3.49Å; H264-M266 WeakPolarHBondContact ND1-CB 3.41Å; H264-M266 PolarHBondContact ND1-N 2.82Å; H264-M266 PolarHBondContact O-N 3.33Å; H264-S267 VanDerWaalsContact O-CB 3.3Å; H264-S267 WeakPolarHBondContact O-CB 3.32Å; H264-S267 PolarHBondContact O-N 3.04Å; H264-S267 PolarHBondContact O-OG 3.05Å
265P88.2Confident89.3Confident88 Ų8849.3 Ų49.357%0.57126%0.262SS*.THydrogen-bonded Turntrans-56.2-25-178.9-27.735.3000114.5S267 I268P265-S267 VanDerWaalsContact C-N 3.3Å; P265-S267 PolarHBondContact O-N 3.45Å; P265-I268 WeakPolarHBondContact O-CG1 3.33Å
266M90.9Very high89Confident38 Ų3852.5 Ų52.519%0.18728%0.279CS..THydrogen-bonded Turntrans-74.7-16.5177-65.1-63.1100.600113.9K22 H26 H264 I268 V269K22-M266 HydrophobicContact CB-SD 3.66Å; H26-M266 HydrophobicContact CB-CB 3.73Å; H26-M266 HydrophobicContact CB-CG 3.9Å; H264-M266 VanDerWaalsContact CE1-CG 3.48Å; H264-M266 WeakPolarHBondContact CE1-CG 3.49Å; H264-M266 WeakPolarHBondContact ND1-CB 3.41Å; H264-M266 PolarHBondContact ND1-N 2.82Å; H264-M266 PolarHBondContact O-N 3.33Å; M266-I268 PolarHBondContact O-N 2.65Å; M266-V269 HydrophobicContact CE-CG2 3.69Å; M266-V269 PolarHBondContact O-N 3.39Å; M266-V269 VanDerWaalsContact O-N 3.17Å; M266-V269 HydrophobicContact SD-CG2 4.01Å
267S85.8Confident88.8Confident9 Ų951.2 Ų51.26%0.06327%0.271CS..THydrogen-bonded Turntrans-63.4-34.4179.374.90000111.6R233 A262 H264 P265R233-S267 PolarHBondContact NE-O 3.37Å; R233-S267 PolarHBondContact NH2-O 2.98Å; A262-S267 PolarHBondContact O-OG 3.2Å; H264-S267 VanDerWaalsContact O-CB 3.3Å; H264-S267 WeakPolarHBondContact O-CB 3.32Å; H264-S267 PolarHBondContact O-N 3.04Å; H264-S267 PolarHBondContact O-OG 3.05Å; P265-S267 VanDerWaalsContact C-N 3.3Å; P265-S267 PolarHBondContact O-N 3.45Å
268I87.1Confident88.6Confident81 Ų8151.4 Ų51.442%0.41527%0.271SS..THydrogen-bonded Turntrans-84-9.8179.264.2157.5000113.4D234 P265 M266 K273D234-I268 VanDerWaalsContact OD1-CG2 3.25Å; D234-I268 WeakPolarHBondContact OD1-CG2 3.48Å; P265-I268 WeakPolarHBondContact O-CG1 3.33Å; M266-I268 PolarHBondContact O-N 2.65Å; I268-K273 VanDerWaalsContact O-CD 3.31Å; I268-K273 WeakPolarHBondContact O-CD 3.07Å; I268-K273 WeakPolarHBondContact O-CE 3.42Å; I268-K273 PolarHBondContact O-NZ 3.15Å
269V91.4Very high88.4Confident4 Ų455 Ų552%0.02429%0.288CS..  trans-79.5121.1-175.9175.80000110.2R233 M266 Y288R233-V269 VanDerWaalsContact NH2-C 3.33Å; R233-V269 PolarHBondContact NH2-O 2.94Å; M266-V269 HydrophobicContact CE-CG2 3.69Å; M266-V269 PolarHBondContact O-N 3.39Å; M266-V269 VanDerWaalsContact O-N 3.17Å; M266-V269 HydrophobicContact SD-CG2 4.01Å; V269-Y288 HydrophobicContact CG1-CD1 4.08Å; V269-Y288 HydrophobicContact CG1-CG 4.15Å; V269-Y288 HydrophobicContact CG2-CD1 3.79Å; V269-Y288 HydrophobicContact CG2-CE1 4.28Å
270S92.6Very high88.5Confident23 Ų2354.3 Ų54.316%0.16129%0.287CS..  trans-133.1153.9-178.5780000111.9T272 K273 S274S270-T272 PolarHBondContact O-N 2.89Å; S270-T272 VanDerWaalsContact O-N 3.15Å; S270-K273 PolarHBondContact O-N 3.4Å; S270-K273 PolarHBondContact OG-N 3.24Å; S270-S274 PolarHBondContact O-N 2.75Å; S270-S274 PolarHBondContact O-OG 3.19Å; S270-S274 VanDerWaalsContact O-OG 3.14Å
271S94.8Very high88.7Confident18 Ų1854 Ų5413%0.12630%0.302CS..Hα-helixtrans-54.3-35.1175.3-46.50000112.1N18 P19 H24 S274 R275N18-S271 WeakPolarHBondContact O-CB 3.49Å; P19-S271 PolarHBondContact O-OG 3.19Å; H24-S271 PolarHBondContact CE1-OG 3.49Å; S271-S274 PolarHBondContact O-N 3.17Å; S271-R275 WeakPolarHBondContact O-CG 3.46Å; S271-R275 PolarHBondContact O-N 3.1Å; S271-R275 PolarHBondContact O-NH1 2.83Å
272T92.4Very high88.8Confident72 Ų7256.6 Ų56.644%0.44232%0.316SS..Hα-helixtrans-65.9-46177.2-60.50000111.6S270 S274 R275 L276S270-T272 PolarHBondContact O-N 2.89Å; S270-T272 VanDerWaalsContact O-N 3.15Å; T272-S274 VanDerWaalsContact C-N 3.3Å; T272-S274 PolarHBondContact O-N 3.34Å; T272-R275 PolarHBondContact O-N 3.42Å; T272-R275 PolarHBondContact OG1-NH2 2.91Å; T272-R275 VanDerWaalsContact OG1-NH2 3.08Å; T272-L276 HydrophobicContact CG2-CD1 4.37Å; T272-L276 WeakPolarHBondContact O-CG 3.35Å; T272-L276 PolarHBondContact O-N 2.91Å
273K92Very high89.2Confident82 Ų8257.9 Ų57.936%0.35733%0.332SS..Hα-helixtrans-62.3-39.3174.2-71.1-179.4-176.7172.30111.6I268 S270 L276 A277 Y288I268-K273 VanDerWaalsContact O-CD 3.31Å; I268-K273 WeakPolarHBondContact O-CD 3.07Å; I268-K273 WeakPolarHBondContact O-CE 3.42Å; I268-K273 PolarHBondContact O-NZ 3.15Å; S270-K273 PolarHBondContact O-N 3.4Å; S270-K273 PolarHBondContact OG-N 3.24Å; K273-L276 PolarHBondContact O-N 3.25Å; K273-A277 WeakPolarHBondContact O-CB 3.31Å; K273-A277 PolarHBondContact O-N 2.97Å; K273-Y288 HydrophobicContact CB-CE2 4.38Å
274S94.3Very high89.4Confident0 Ų055.2 Ų55.20%031%0.314CS..Hα-helixtrans-62.4-43.8175.4-54.20000112.9T21 S270 S271 T272 A277 L278 Y288T21-S274 WeakPolarHBondContact CG2-OG 3.34Å; S270-S274 PolarHBondContact O-N 2.75Å; S270-S274 PolarHBondContact O-OG 3.19Å; S270-S274 VanDerWaalsContact O-OG 3.14Å; S271-S274 PolarHBondContact O-N 3.17Å; T272-S274 VanDerWaalsContact C-N 3.3Å; T272-S274 PolarHBondContact O-N 3.34Å; S274-A277 PolarHBondContact O-N 2.78Å; S274-L278 WeakPolarHBondContact O-CD1 3.31Å; S274-L278 VanDerWaalsContact O-CG 3.32Å; S274-L278 WeakPolarHBondContact O-CG 3.25Å; S274-L278 PolarHBondContact O-N 3.25Å; S274-Y288 WeakPolarHBondContact OG-CB 3.42Å
275R94.7Very high89.5Confident46 Ų4652.4 Ų52.417%0.17430%0.302CS..Hα-helixtrans-63.5-41.7175.8-70-168.9-50.4-78.6-5.3111.8N18 S271 T272 L278 Q279 Y303N18-R275 WeakPolarHBondContact O-CD 3.49Å; N18-R275 PolarHBondContact O-NH1 3.06Å; S271-R275 WeakPolarHBondContact O-CG 3.46Å; S271-R275 PolarHBondContact O-N 3.1Å; S271-R275 PolarHBondContact O-NH1 2.83Å; T272-R275 PolarHBondContact O-N 3.42Å; T272-R275 PolarHBondContact OG1-NH2 2.91Å; T272-R275 VanDerWaalsContact OG1-NH2 3.08Å; R275-L278 PolarHBondContact O-N 2.95Å; R275-Q279 WeakPolarHBondContact O-CB 3.3Å; R275-Q279 VanDerWaalsContact O-CG 3.24Å; R275-Q279 WeakPolarHBondContact O-CG 3.36Å; R275-Q279 PolarHBondContact O-N 2.88Å; R275-Y303 HydrophobicContact CG-CD1 3.7Å; R275-Y303 HydrophobicContact CG-CE1 4.04Å; R275-Y303 HydrophobicContact CG-CG 4.02Å
276L92.1Very high89.7Confident80 Ų8051.3 Ų51.342%0.41929%0.294SS..Hα-helixtrans-63.5-43.5176.3-70.9170.8000112T272 K273 L278 Q279 H280T272-L276 HydrophobicContact CG2-CD1 4.37Å; T272-L276 WeakPolarHBondContact O-CG 3.35Å; T272-L276 PolarHBondContact O-N 2.91Å; K273-L276 PolarHBondContact O-N 3.25Å; L276-L278 VanDerWaalsContact C-N 3.34Å; L276-L278 PolarHBondContact O-N 3.39Å; L276-Q279 PolarHBondContact O-N 3.39Å; L276-H280 PolarHBondContact O-N 3Å
277A91.6Very high89.8Confident4 Ų453.3 Ų53.33%0.03331%0.305CS..Hα-helixtrans-59.9-44.4175.700000111.6K273 S274 H280 G281 D282 V285 Y288K273-A277 WeakPolarHBondContact O-CB 3.31Å; K273-A277 PolarHBondContact O-N 2.97Å; S274-A277 PolarHBondContact O-N 2.78Å; A277-H280 PolarHBondContact O-N 2.75Å; A277-G281 PolarHBondContact O-N 2.91Å; A277-D282 HydrophobicContact CB-CB 4.08Å; A277-D282 WeakPolarHBondContact O-CB 3.3Å; A277-D282 PolarHBondContact O-N 2.94Å; A277-V285 HydrophobicContact CB-CB 4.21Å; A277-Y288 HydrophobicContact CB-CD2 4.21Å; A277-Y288 HydrophobicContact CB-CE2 4.13Å
278L92.2Very high90.3Very high23 Ų2355.5 Ų55.512%0.1231%0.312CS..Hα-helixtrans-60.1-45.9174.7-74.1162.7000112.2S274 R275 L276 H280 G281 V285 L289 I297 Y303S274-L278 WeakPolarHBondContact O-CD1 3.31Å; S274-L278 VanDerWaalsContact O-CG 3.32Å; S274-L278 WeakPolarHBondContact O-CG 3.25Å; S274-L278 PolarHBondContact O-N 3.25Å; R275-L278 PolarHBondContact O-N 2.95Å; L276-L278 VanDerWaalsContact C-N 3.34Å; L276-L278 PolarHBondContact O-N 3.39Å; L278-H280 VanDerWaalsContact C-N 3.33Å; L278-H280 PolarHBondContact O-N 3.42Å; L278-G281 PolarHBondContact O-N 2.99Å; L278-V285 HydrophobicContact CD2-CG2 3.72Å; L278-V285 HydrophobicContact CG-CG2 3.76Å; L278-L289 HydrophobicContact CD1-CD1 4.03Å; L278-I297 HydrophobicContact CD1-CD1 3.97Å; L278-I297 HydrophobicContact CD1-CG2 3.99Å; L278-I297 HydrophobicContact CD2-CG2 3.98Å; L278-Y303 HydrophobicContact CD1-CD2 4.03Å
279Q90.5Very high90.7Very high76 Ų7651.7 Ų51.736%0.35529%0.293SS..Hα-helixtrans-64.6-35.2-178.8-75.9172.8-19.500113R275 L276 G281 Y303R275-Q279 WeakPolarHBondContact O-CB 3.3Å; R275-Q279 VanDerWaalsContact O-CG 3.24Å; R275-Q279 WeakPolarHBondContact O-CG 3.36Å; R275-Q279 PolarHBondContact O-N 2.88Å; L276-Q279 PolarHBondContact O-N 3.39Å; Q279-G281 VanDerWaalsContact C-N 3.32Å; Q279-Y303 WeakPolarHBondContact CG-O 3.45Å
280H88.8Confident91Very high149 Ų14953.8 Ų53.869%0.6930%0.304SS*.THydrogen-bonded Turntrans-86.4-2179.5-63.3165.9000113.5L276 A277 L278 D282L276-H280 PolarHBondContact O-N 3Å; A277-H280 PolarHBondContact O-N 2.75Å; L278-H280 VanDerWaalsContact C-N 3.33Å; L278-H280 PolarHBondContact O-N 3.42Å; H280-D282 PolarHBondContact O-N 3.34Å
281G83.3Confident91.2Very high69 Ų6957.7 Ų57.771%0.71132%0.32SS*.THydrogen-bonded Turntrans63.631-172.400000112.5A277 L278 Q279 G283A277-G281 PolarHBondContact O-N 2.91Å; L278-G281 PolarHBondContact O-N 2.99Å; Q279-G281 VanDerWaalsContact C-N 3.32Å; G281-G283 PolarHBondContact O-N 3.11Å
282D81.1Confident91.3Very high60 Ų6058.8 Ų58.832%0.32133%0.326SS..  trans-76122.2-178.5-172.3-9.1000110.6A277 H280 H284 V285A277-D282 HydrophobicContact CB-CB 4.08Å; A277-D282 WeakPolarHBondContact O-CB 3.3Å; A277-D282 PolarHBondContact O-N 2.94Å; H280-D282 PolarHBondContact O-N 3.34Å; D282-H284 PolarHBondContact O-N 3.16Å; D282-H284 VanDerWaalsContact O-N 3.13Å; D282-H284 WeakPolarHBondContact OD1-CB 3.46Å; D282-H284 IonicContact OD1-CD2 3.88Å; D282-H284 PolarHBondContact OD1-CD2 3.04Å; D282-H284 IonicContact OD1-CG 3.41Å; D282-H284 PolarHBondContact OD1-N 2.86Å; D282-H284 IonicContact OD2-CD2 3Å; D282-V285 WeakPolarHBondContact O-CG1 3.5Å; D282-V285 PolarHBondContact O-N 3.02Å; D282-V285 VanDerWaalsContact O-N 3.16Å
283G80Confident91.6Very high57 Ų5755.4 Ų55.459%0.58831%0.305SS*.THydrogen-bonded Turntrans-58.6-22.1175.800000113.5G281 V285 V286G281-G283 PolarHBondContact O-N 3.11Å; G283-V285 PolarHBondContact O-N 3.24Å; G283-V285 VanDerWaalsContact O-N 3.08Å; G283-V286 WeakPolarHBondContact O-CG2 3.42Å; G283-V286 PolarHBondContact O-N 3.43Å
284H84.7Confident91.8Very high106 Ų10652 Ų5249%0.49129%0.29SS..THydrogen-bonded Turntrans-65.6-6.6176.1-66.5-59000114.3D282 V286 D287D282-H284 PolarHBondContact O-N 3.16Å; D282-H284 VanDerWaalsContact O-N 3.13Å; D282-H284 WeakPolarHBondContact OD1-CB 3.46Å; D282-H284 IonicContact OD1-CD2 3.88Å; D282-H284 PolarHBondContact OD1-CD2 3.04Å; D282-H284 IonicContact OD1-CG 3.41Å; D282-H284 PolarHBondContact OD1-N 2.86Å; D282-H284 IonicContact OD2-CD2 3Å; H284-V286 PolarHBondContact O-N 3.27Å; H284-V286 VanDerWaalsContact O-N 3.13Å; H284-D287 IonicContact CG-OD2 3.61Å; H284-D287 IonicContact ND1-OD2 3.95Å; H284-D287 PolarHBondContact ND1-OD2 2.69Å; H284-D287 WeakPolarHBondContact O-CB 3.22Å; H284-D287 PolarHBondContact O-N 3.02Å
285V90.6Very high92Very high16 Ų1655.7 Ų55.710%0.09731%0.31CS..Hα-helixtrans-55.5-30.4173.269.50000112.7A277 L278 D282 G283 D287 Y288 L289 I294A277-V285 HydrophobicContact CB-CB 4.21Å; L278-V285 HydrophobicContact CD2-CG2 3.72Å; L278-V285 HydrophobicContact CG-CG2 3.76Å; D282-V285 WeakPolarHBondContact O-CG1 3.5Å; D282-V285 PolarHBondContact O-N 3.02Å; D282-V285 VanDerWaalsContact O-N 3.16Å; G283-V285 PolarHBondContact O-N 3.24Å; G283-V285 VanDerWaalsContact O-N 3.08Å; V285-D287 PolarHBondContact O-N 2.96Å; V285-Y288 PolarHBondContact O-N 2.94Å; V285-L289 HydrophobicContact CG2-CB 4.5Å; V285-L289 HydrophobicContact CG2-CD1 3.68Å; V285-L289 HydrophobicContact CG2-CG 4.05Å; V285-L289 PolarHBondContact O-N 3.27Å; V285-I294 HydrophobicContact CG1-CD1 4.2Å; V285-I294 HydrophobicContact CG2-CD1 4.43Å; V285-I294 HydrophobicContact CG2-CG1 4.36Å
286V93.5Very high92.1Very high65 Ų6555.4 Ų55.439%0.39431%0.309SS..Hα-helixtrans-66.1-23.4176.4-55.90000112.8K22 G283 H284 Y288 I294K22-V286 PolarHBondContact NZ-O 3.03Å; G283-V286 WeakPolarHBondContact O-CG2 3.42Å; G283-V286 PolarHBondContact O-N 3.43Å; H284-V286 PolarHBondContact O-N 3.27Å; H284-V286 VanDerWaalsContact O-N 3.13Å; V286-Y288 VanDerWaalsContact C-N 3.27Å; V286-I294 HydrophobicContact CB-CD1 4.41Å; V286-I294 HydrophobicContact CG1-CD1 3.97Å
287D93.1Very high92.4Very high80 Ų8051.6 Ų51.643%0.42829%0.29SS..Hα-helixtrans-76.6-20.7175.2-60.1-40.3000111.1H284 V285H284-D287 IonicContact CG-OD2 3.61Å; H284-D287 IonicContact ND1-OD2 3.95Å; H284-D287 PolarHBondContact ND1-OD2 2.69Å; H284-D287 WeakPolarHBondContact O-CB 3.22Å; H284-D287 PolarHBondContact O-N 3.02Å; V285-D287 PolarHBondContact O-N 2.96Å
288Y94.6Very high92.5Very high54 Ų5455.5 Ų55.521%0.21231%0.309CS..Hα-helixtrans-104.9-32.6-173.8-54.3-20.5000113.4T21 K22 V269 K273 S274 A277 V285 V286T21-Y288 WeakPolarHBondContact CA-O 3.35Å; T21-Y288 WeakPolarHBondContact CB-O 3.31Å; K22-Y288 WeakPolarHBondContact CB-O 3.41Å; K22-Y288 PolarHBondContact N-O 2.97Å; V269-Y288 HydrophobicContact CG1-CD1 4.08Å; V269-Y288 HydrophobicContact CG1-CG 4.15Å; V269-Y288 HydrophobicContact CG2-CD1 3.79Å; V269-Y288 HydrophobicContact CG2-CE1 4.28Å; K273-Y288 HydrophobicContact CB-CE2 4.38Å; S274-Y288 WeakPolarHBondContact OG-CB 3.42Å; A277-Y288 HydrophobicContact CB-CD2 4.21Å; A277-Y288 HydrophobicContact CB-CE2 4.13Å; V285-Y288 PolarHBondContact O-N 2.94Å; V286-Y288 VanDerWaalsContact C-N 3.27Å
289L96.6Very high92.7Very high1 Ų162.1 Ų62.11%0.00534%0.34CS..SBendtrans-121.2152.9-172.6-57.5-174.3000111.3P19 I20 T21 K22 L278 V285 I294 I297P19-L289 HydrophobicContact CG-CD1 4.14Å; P19-L289 HydrophobicContact CG-CD2 3.94Å; I20-L289 WeakPolarHBondContact O-CD2 3.4Å; T21-L289 HydrophobicContact CG2-CD2 3.81Å; K22-L289 WeakPolarHBondContact CE-O 3.3Å; L278-L289 HydrophobicContact CD1-CD1 4.03Å; V285-L289 HydrophobicContact CG2-CB 4.5Å; V285-L289 HydrophobicContact CG2-CD1 3.68Å; V285-L289 HydrophobicContact CG2-CG 4.05Å; V285-L289 PolarHBondContact O-N 3.27Å; L289-I294 HydrophobicContact CB-CD1 4Å; L289-I294 HydrophobicContact CB-CG1 3.64Å; L289-I294 HydrophobicContact CD1-CG1 4.19Å; L289-I297 HydrophobicContact CD1-CD1 3.86Å
290N96.7Very high93Very high48 Ų4860.4 Ų60.426%0.25734%0.336SS..  trans-72.6146169.5-77.9-34.4000110.3K22 A73 T292 V293 I294K22-N290 WeakPolarHBondContact CE-OD1 3.28Å; A73-N290 PolarHBondContact O-ND2 3.13Å; N290-T292 VanDerWaalsContact C-N 3.3Å; N290-T292 PolarHBondContact O-N 3.36Å; N290-V293 HydrophobicContact CB-CG2 4.14Å; N290-V293 WeakPolarHBondContact O-CA 3.49Å; N290-V293 WeakPolarHBondContact O-CB 3.09Å; N290-V293 PolarHBondContact O-N 3.47Å; N290-I294 PolarHBondContact O-N 3.41Å
291Q96.6Very high93.3Very high106 Ų10659.4 Ų59.450%0.49533%0.331SS..Hα-helixtrans-55.9-44.4-176.5-17260.64800112.1V293 I294 D295Q291-V293 PolarHBondContact O-N 3.01Å; Q291-I294 WeakPolarHBondContact O-CA 3.32Å; Q291-I294 WeakPolarHBondContact O-CB 3.2Å; Q291-I294 PolarHBondContact O-N 2.92Å; Q291-D295 PolarHBondContact NE2-OD1 2.93Å; Q291-D295 PolarHBondContact O-N 3.32Å
292T98.1Very high93.9Very high41 Ų4157 Ų5725%0.25230%0.302SS..Hα-helixtrans-61-31.6177.551.40000113.6L72 N290 Y296L72-T292 PolarHBondContact O-OG1 2.83Å; N290-T292 VanDerWaalsContact C-N 3.3Å; N290-T292 PolarHBondContact O-N 3.36Å; T292-Y296 WeakPolarHBondContact O-CB 3.48Å; T292-Y296 PolarHBondContact O-N 3.01Å; T292-Y296 VanDerWaalsContact O-N 3.16Å
293V98.3Very high94.4Very high1 Ų155.1 Ų55.11%0.00629%0.291CS..Hα-helixtrans-72.7-41.3174.3177.70000110.5I20 M69 L72 A73 N290 Q291 Y296 I297I20-V293 HydrophobicContact CG2-CG1 4.49Å; I20-V293 HydrophobicContact CG2-CG2 4.23Å; M69-V293 HydrophobicContact CB-CG1 4.09Å; M69-V293 HydrophobicContact CG-CG1 4.01Å; M69-V293 WeakPolarHBondContact O-CG2 3.38Å; M69-V293 HydrophobicContact SD-CG1 4.13Å; L72-V293 HydrophobicContact CB-CG2 4.26Å; A73-V293 HydrophobicContact CB-CG2 3.87Å; N290-V293 HydrophobicContact CB-CG2 4.14Å; N290-V293 WeakPolarHBondContact O-CA 3.49Å; N290-V293 WeakPolarHBondContact O-CB 3.09Å; N290-V293 PolarHBondContact O-N 3.47Å; Q291-V293 PolarHBondContact O-N 3.01Å; V293-Y296 PolarHBondContact O-N 3.35Å; V293-I297 HydrophobicContact CG1-CD1 3.84Å; V293-I297 HydrophobicContact CG1-CG1 4.43Å; V293-I297 WeakPolarHBondContact O-CB 3.24Å; V293-I297 VanDerWaalsContact O-CG1 3.22Å; V293-I297 WeakPolarHBondContact O-CG1 3.49Å; V293-I297 PolarHBondContact O-N 2.88Å
294I97Very high94.4Very high9 Ų955 Ų555%0.04628%0.276CS..Hα-helixtrans-60.6-50175.7-63.8167.4000109.8V285 V286 L289 N290 Q291 Y296 I297 L298V285-I294 HydrophobicContact CG1-CD1 4.2Å; V285-I294 HydrophobicContact CG2-CD1 4.43Å; V285-I294 HydrophobicContact CG2-CG1 4.36Å; V286-I294 HydrophobicContact CB-CD1 4.41Å; V286-I294 HydrophobicContact CG1-CD1 3.97Å; L289-I294 HydrophobicContact CB-CD1 4Å; L289-I294 HydrophobicContact CB-CG1 3.64Å; L289-I294 HydrophobicContact CD1-CG1 4.19Å; N290-I294 PolarHBondContact O-N 3.41Å; Q291-I294 WeakPolarHBondContact O-CA 3.32Å; Q291-I294 WeakPolarHBondContact O-CB 3.2Å; Q291-I294 PolarHBondContact O-N 2.92Å; I294-Y296 VanDerWaalsContact C-N 3.3Å; I294-Y296 PolarHBondContact O-N 3.04Å; I294-I297 WeakPolarHBondContact O-CB 3.46Å; I294-I297 PolarHBondContact O-N 3.42Å; I294-I297 VanDerWaalsContact O-N 3.11Å; I294-L298 HydrophobicContact CG2-CD1 3.91Å; I294-L298 HydrophobicContact CG2-CG 4.29Å; I294-L298 WeakPolarHBondContact O-CG 3.47Å; I294-L298 PolarHBondContact O-N 3.24Å
295D97.1Very high93.7Very high79 Ų7955.9 Ų55.942%0.42229%0.285SS..Hα-helixtrans-57.4-45.2-179.9-61.4-21.3000111Q291 L298 Q299Q291-D295 PolarHBondContact NE2-OD1 2.93Å; Q291-D295 PolarHBondContact O-N 3.32Å; D295-L298 PolarHBondContact O-N 3.44Å; D295-Q299 VanDerWaalsContact O-CB 3.31Å; D295-Q299 WeakPolarHBondContact O-CB 3.45Å; D295-Q299 PolarHBondContact O-N 3.43Å
296Y98.2Very high92Very high40 Ų4059.1 Ų59.116%0.15731%0.313CS..Hα-helixtrans-63.3-42.4176.5-179.1-94.4000112.8H65 T68 M69 L72 T292 V293 I294 Q299 S300 L302H65-Y296 HydrophobicContact CB-CE1 4.22Å; H65-Y296 AromaticContact ND1-CE1 3.88Å; H65-Y296 AromaticContact ND1-CZ 3.73Å; H65-Y296 PolarHBondContact ND1-OH 2.8Å; T68-Y296 HydrophobicContact CG2-CD2 3.79Å; T68-Y296 HydrophobicContact CG2-CE1 4.29Å; T68-Y296 HydrophobicContact CG2-CE2 3.41Å; T68-Y296 VanDerWaalsContact CG2-CE2 3.41Å; T68-Y296 HydrophobicContact CG2-CG 4.37Å; M69-Y296 HydrophobicContact CG-CD1 3.54Å; M69-Y296 HydrophobicContact CG-CE1 3.94Å; M69-Y296 HydrophobicContact SD-CD1 4.34Å; L72-Y296 HydrophobicContact CD1-CD2 4.08Å; L72-Y296 HydrophobicContact CD1-CG 3.91Å; T292-Y296 WeakPolarHBondContact O-CB 3.48Å; T292-Y296 PolarHBondContact O-N 3.01Å; T292-Y296 VanDerWaalsContact O-N 3.16Å; V293-Y296 PolarHBondContact O-N 3.35Å; I294-Y296 VanDerWaalsContact C-N 3.3Å; I294-Y296 PolarHBondContact O-N 3.04Å; Y296-Q299 PolarHBondContact O-N 2.99Å; Y296-S300 WeakPolarHBondContact O-CB 3.13Å; Y296-S300 PolarHBondContact O-N 3.21Å; Y296-S300 PolarHBondContact O-OG 2.91Å; Y296-L302 HydrophobicContact CD1-CD1 4.39Å; Y296-L302 HydrophobicContact CE1-CD1 3.98Å
297I97.3Very high89.4Confident0 Ų061.8 Ų61.80%033%0.334CS..Hα-helixtrans-60.5-46.9177.3-76.9170.9000110.5P19 M69 L278 L289 V293 I294 S300 Q301 L302 Y303P19-I297 HydrophobicContact CB-CD1 3.97Å; P19-I297 HydrophobicContact CG-CD1 4.04Å; M69-I297 HydrophobicContact SD-CD1 3.78Å; M69-I297 HydrophobicContact SD-CG1 3.5Å; M69-I297 VanDerWaalsContact SD-CG1 3.5Å; L278-I297 HydrophobicContact CD1-CD1 3.97Å; L278-I297 HydrophobicContact CD1-CG2 3.99Å; L278-I297 HydrophobicContact CD2-CG2 3.98Å; L289-I297 HydrophobicContact CD1-CD1 3.86Å; V293-I297 HydrophobicContact CG1-CD1 3.84Å; V293-I297 HydrophobicContact CG1-CG1 4.43Å; V293-I297 WeakPolarHBondContact O-CB 3.24Å; V293-I297 VanDerWaalsContact O-CG1 3.22Å; V293-I297 WeakPolarHBondContact O-CG1 3.49Å; V293-I297 PolarHBondContact O-N 2.88Å; I294-I297 WeakPolarHBondContact O-CB 3.46Å; I294-I297 PolarHBondContact O-N 3.42Å; I294-I297 VanDerWaalsContact O-N 3.11Å; I297-S300 CarbonylContact O-C 3.57Å; I297-S300 PolarHBondContact O-N 3.08Å; I297-Q301 PolarHBondContact O-N 3.44Å; I297-L302 HydrophobicContact CG2-CB 4.28Å; I297-L302 VanDerWaalsContact CG2-O 3.28Å; I297-L302 WeakPolarHBondContact CG2-O 3.38Å; I297-L302 PolarHBondContact O-N 3.24Å; I297-Y303 HydrophobicContact CD1-CD2 4.12Å; I297-Y303 HydrophobicContact CD1-CE2 3.95Å; I297-Y303 HydrophobicContact CG1-CD2 4.23Å; I297-Y303 HydrophobicContact CG1-CE2 4.06Å; I297-Y303 HydrophobicContact CG2-CD2 4.01Å
298L94.7Very high86.6Confident86 Ų8665.1 Ų65.145%0.4539%0.387SS..Hα-helixtrans-65.7-45.4179-66.1176.7000111.1I294 D295 S300 Q301 I304I294-L298 HydrophobicContact CG2-CD1 3.91Å; I294-L298 HydrophobicContact CG2-CG 4.29Å; I294-L298 WeakPolarHBondContact O-CG 3.47Å; I294-L298 PolarHBondContact O-N 3.24Å; D295-L298 PolarHBondContact O-N 3.44Å; L298-S300 VanDerWaalsContact C-N 3.3Å; L298-S300 PolarHBondContact O-N 3.16Å; L298-Q301 PolarHBondContact O-N 3.22Å; L298-Q301 PolarHBondContact O-NE2 2.93Å; L298-I304 HydrophobicContact CD2-CD1 4.19Å
299Q96.9Very high86.2Confident162 Ų16265.7 Ų65.776%0.75740%0.396SS*.Hα-helixtrans-61.3-40.1176.9-175.1-178.48.200112.1D295 Y296 Q301D295-Q299 VanDerWaalsContact O-CB 3.31Å; D295-Q299 WeakPolarHBondContact O-CB 3.45Å; D295-Q299 PolarHBondContact O-N 3.43Å; Y296-Q299 PolarHBondContact O-N 2.99Å; Q299-Q301 VanDerWaalsContact C-N 3.32Å
300S97Very high85.7Confident39 Ų3969.1 Ų69.127%0.27342%0.417SS..THydrogen-bonded Turntrans-87.80.8-177.8-56.30000113.4Y296 I297 L298 L302Y296-S300 WeakPolarHBondContact O-CB 3.13Å; Y296-S300 PolarHBondContact O-N 3.21Å; Y296-S300 PolarHBondContact O-OG 2.91Å; I297-S300 CarbonylContact O-C 3.57Å; I297-S300 PolarHBondContact O-N 3.08Å; L298-S300 VanDerWaalsContact C-N 3.3Å; L298-S300 PolarHBondContact O-N 3.16Å; S300-L302 PolarHBondContact O-N 3.13Å
301Q94.6Very high85.1Confident128 Ų12870.2 Ų70.260%0.59843%0.426SS*.THydrogen-bonded Turntrans52.937.5-178.3-60-71.1-60.300113.5I297 L298 Q299 I304I297-Q301 PolarHBondContact O-N 3.44Å; L298-Q301 PolarHBondContact O-N 3.22Å; L298-Q301 PolarHBondContact O-NE2 2.93Å; Q299-Q301 VanDerWaalsContact C-N 3.32Å; Q301-I304 HydrophobicContact CB-CD1 4.46Å
302L94.8Very high84.4Confident18 Ų1868.1 Ų68.19%0.09442%0.422CS..  trans-84.5140.2-178.1-59.9174.2000110.9H65 M69 Y296 I297 S300 I304H65-L302 HydrophobicContact CB-CD1 3.78Å; M69-L302 HydrophobicContact CE-CD1 4.34Å; M69-L302 HydrophobicContact SD-CD1 4.39Å; Y296-L302 HydrophobicContact CD1-CD1 4.39Å; Y296-L302 HydrophobicContact CE1-CD1 3.98Å; I297-L302 HydrophobicContact CG2-CB 4.28Å; I297-L302 VanDerWaalsContact CG2-O 3.28Å; I297-L302 WeakPolarHBondContact CG2-O 3.38Å; I297-L302 PolarHBondContact O-N 3.24Å; S300-L302 PolarHBondContact O-N 3.13Å; L302-I304 VanDerWaalsContact O-CG1 3.3Å; L302-I304 WeakPolarHBondContact O-CG1 3.38Å; L302-I304 PolarHBondContact O-N 3.49Å
303Y92.1Very high83.5Confident22 Ų2269.8 Ų69.89%0.08643%0.432CS..SBendtrans63.71.5176.5-39.7-71.8000116.2N18 P19 V61 M69 R275 L278 Q279 I297N18-Y303 VanDerWaalsContact C-OH 3.3Å; N18-Y303 PolarHBondContact OD1-OH 3.13Å; N18-Y303 VanDerWaalsContact OD1-OH 3.05Å; P19-Y303 HydrophobicContact CB-CE2 4.01Å; P19-Y303 HydrophobicContact CG-CE2 4.14Å; V61-Y303 HydrophobicContact CB-CE1 4.5Å; V61-Y303 HydrophobicContact CG1-CD1 4Å; V61-Y303 HydrophobicContact CG1-CE1 3.36Å; V61-Y303 HydrophobicContact CG2-CE1 4.41Å; V61-Y303 WeakPolarHBondContact CG2-OH 3.47Å; M69-Y303 HydrophobicContact CE-CE2 4.31Å; M69-Y303 WeakPolarHBondContact CE-OH 3.33Å; M69-Y303 HydrophobicContact SD-CE2 4.24Å; R275-Y303 HydrophobicContact CG-CD1 3.7Å; R275-Y303 HydrophobicContact CG-CE1 4.04Å; R275-Y303 HydrophobicContact CG-CG 4.02Å; L278-Y303 HydrophobicContact CD1-CD2 4.03Å; Q279-Y303 WeakPolarHBondContact CG-O 3.45Å; I297-Y303 HydrophobicContact CD1-CD2 4.12Å; I297-Y303 HydrophobicContact CD1-CE2 3.95Å; I297-Y303 HydrophobicContact CG1-CD2 4.23Å; I297-Y303 HydrophobicContact CG1-CE2 4.06Å; I297-Y303 HydrophobicContact CG2-CD2 4.01Å
304I80Confident82.5Confident53 Ų5374.4 Ų74.427%0.27246%0.461SS..SBendtrans-77.5-28.9-173.8-52.1-172.1000112.2L298 Q301 L302L298-I304 HydrophobicContact CD2-CD1 4.19Å; Q301-I304 HydrophobicContact CB-CD1 4.46Å; L302-I304 VanDerWaalsContact O-CG1 3.3Å; L302-I304 WeakPolarHBondContact O-CG1 3.38Å; L302-I304 PolarHBondContact O-N 3.49Å
305N70.6Confident81.5Confident126 Ų12679.1 Ų79.167%0.67449%0.49SS*.SBendtrans-117.6121.2178.2-63.1-33000109.4S307N305-S307 PolarHBondContact O-N 3Å
306A54.4Low80.3Confident84 Ų8479.1 Ų79.169%0.69450%0.495SS*.  trans-66.7105.5163.200000107.8
307S39.1Very low78.8Confident120 Ų12082.3 Ų82.384%0.83952%0.524SS*.  trans-116.299.7160.9-57.50000106.5N305N305-S307 PolarHBondContact O-N 3Å
308G34.3Very low77.1Confident150 Ų15089.8 Ų89.8100%1.54657%0.571SS**  trans152.30-177.600000110.5

Retrieved 308 of 308 residues in 645.5 ms (Link to these results)

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