A0A3Q0KJI8_SCHMA Loading...

Mitochondrial genome maintenance exonuclease 1 AlphaSync

Metal-dependent single-stranded DNA (ssDNA) exonuclease involved in mitochondrial genome maintenance.

AlphaFold DB , UniProt , Accession A0A3Q0KJI8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 261 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
1M27.3Very low37.9Very low187 Ų18780.4 Ų80.492%0.92147%0.469SS*.  0138.80-145.9168.5-174.100107.5
2N29.1Very low38.4Very low121 Ų12184.8 Ų84.865%0.64748%0.479SS*.  trans-99.1100.3179.8-169.4-3.2000108.3G5N2-G5 PolarHBondContact OD1-N 3.17Å
3I29.5Very low39Very low129 Ų12980.7 Ų80.766%0.66245%0.454SS*.BIsolated β-bridgetrans-114114.3170.4-56.1176.8000105.8G5I3-G5 PolarHBondContact O-N 3.17Å
4G37.7Very low39.6Very low81 Ų8183.8 Ų83.884%0.83546%0.461SS*.THydrogen-bonded Turntrans71.722.8170.500000117.2
5G37.4Very low40.1Very low60 Ų6095.1 Ų95.162%0.61949%0.494SS*.THydrogen-bonded Turntrans8220.2179.600000114N2 I3N2-G5 PolarHBondContact OD1-N 3.17Å; I3-G5 PolarHBondContact O-N 3.17Å
6I35.3Very low40.4Very low57 Ų5797.1 Ų97.129%0.29249%0.493SS..BIsolated β-bridgetrans-101.3122.7174.9-59175.9000108I8 V21 N23I6-I8 HydrophobicContact CG2-CD1 4.44Å; I6-I8 HydrophobicContact CG2-CG1 4.04Å; I6-V21 HydrophobicContact CG2-CG1 3.68Å; I6-N23 VanDerWaalsContact CD1-OD1 3.31Å; I6-N23 WeakPolarHBondContact CD1-OD1 2.88Å; I6-N23 WeakPolarHBondContact CG1-OD1 3.47Å
7Q43.7Very low40.4Very low105 Ų10594.2 Ų94.249%0.49149%0.493SS..EExtended strand (participates in β ladder)trans-108.4127.4174.9-153.2158-17.900110.5Y9 S22Q7-Y9 HydrophobicContact CB-CE2 3.84Å; Q7-Y9 HydrophobicContact CG-CE1 4.05Å; Q7-Y9 HydrophobicContact CG-CE2 3.77Å; Q7-Y9 VanDerWaalsContact CG-CZ 3.45Å; Q7-Y9 VanDerWaalsContact CG-OH 3.31Å; Q7-Y9 WeakPolarHBondContact CG-OH 3.4Å; Q7-Y9 PolarHBondContact NE2-OH 3.21Å; Q7-Y9 PolarHBondContact OE1-OH 3.29Å; Q7-S22 WeakPolarHBondContact O-CB 3.36Å; Q7-S22 PolarHBondContact O-N 3.15Å
8I43.9Very low41Very low34 Ų3491.9 Ų91.917%0.17448%0.479CS..EExtended strand (participates in β ladder)trans-115.3127.7-172.3-56.8172.6000109.7I6 V20 V21 A40I6-I8 HydrophobicContact CG2-CD1 4.44Å; I6-I8 HydrophobicContact CG2-CG1 4.04Å; I8-V20 CarbonylContact C-O 3.07Å; I8-V20 WeakPolarHBondContact CA-O 3.48Å; I8-V21 HydrophobicContact CG1-CG2 4.45Å; I8-A40 HydrophobicContact CD1-CB 3.92Å; I8-A40 HydrophobicContact CG2-CB 4.1Å
9Y47.4Very low41.4Very low40 Ų4087.7 Ų87.716%0.15746%0.459CS..EExtended strand (participates in β ladder)trans-128.9131-173.5-56.9-85.8000113.8Q7 A19 V20 N43 P45 L149Q7-Y9 HydrophobicContact CB-CE2 3.84Å; Q7-Y9 HydrophobicContact CG-CE1 4.05Å; Q7-Y9 HydrophobicContact CG-CE2 3.77Å; Q7-Y9 VanDerWaalsContact CG-CZ 3.45Å; Q7-Y9 VanDerWaalsContact CG-OH 3.31Å; Q7-Y9 WeakPolarHBondContact CG-OH 3.4Å; Q7-Y9 PolarHBondContact NE2-OH 3.21Å; Q7-Y9 PolarHBondContact OE1-OH 3.29Å; Y9-A19 CarbonylContact O-C 3.43Å; Y9-A19 WeakPolarHBondContact O-CA 3.26Å; Y9-V20 PolarHBondContact N-O 3.37Å; Y9-V20 PolarHBondContact O-N 3.42Å; Y9-N43 CarbonylContact C-O 3.35Å; Y9-N43 WeakPolarHBondContact CA-O 3.31Å; Y9-P45 HydrophobicContact CD1-CB 3.76Å; Y9-P45 HydrophobicContact CD1-CG 4.39Å; Y9-P45 HydrophobicContact CE1-CB 4.42Å; Y9-P45 HydrophobicContact CG-CB 4.21Å; Y9-P45 HydrophobicContact CG-CG 4.41Å; Y9-L149 HydrophobicContact CD2-CD2 4.23Å; Y9-L149 HydrophobicContact CE2-CD1 3.72Å; Y9-L149 HydrophobicContact CE2-CD2 4.21Å
10L39.5Very low41.7Very low67 Ų6783.6 Ų83.635%0.35144%0.437SS..EExtended strand (participates in β ladder)trans-86122.1173-96.4165.1000112.7F18 A19 G42 N43 Q44 P45L10-F18 CarbonylContact C-O 3.59Å; L10-F18 WeakPolarHBondContact CA-O 3.48Å; L10-F18 WeakPolarHBondContact CB-O 3.44Å; L10-F18 WeakPolarHBondContact CD2-O 3Å; L10-A19 HydrophobicContact CD2-CB 4.43Å; L10-G42 WeakPolarHBondContact CB-O 3.48Å; L10-G42 WeakPolarHBondContact CD1-O 3.37Å; L10-G42 WeakPolarHBondContact CG-O 3.17Å; L10-G42 PolarHBondContact N-O 3.06Å; L10-N43 PolarHBondContact N-O 3.32Å; L10-Q44 VanDerWaalsContact C-NE2 3.35Å; L10-Q44 HydrophobicContact CB-CB 4.33Å; L10-Q44 HydrophobicContact CB-CG 3.71Å; L10-Q44 WeakPolarHBondContact O-CA 3.32Å; L10-Q44 WeakPolarHBondContact O-CB 3.28Å; L10-Q44 WeakPolarHBondContact O-CG 3.21Å; L10-Q44 PolarHBondContact O-NE2 3.01Å; L10-P45 WeakPolarHBondContact O-CD 3.34Å
11I46.2Very low41.8Very low3 Ų380.8 Ų80.82%0.01542%0.424CS..EExtended strand (participates in β ladder)trans-111.5137-177.8-54.5-167.1000110.2I13 G17 F18 V20 P45 F47 F144 P146I11-I13 HydrophobicContact CG2-CD1 3.65Å; I11-I13 HydrophobicContact CG2-CG1 3.77Å; I11-G17 CarbonylContact O-C 3.48Å; I11-G17 WeakPolarHBondContact O-CA 3.36Å; I11-F18 HydrophobicContact CB-CB 4.2Å; I11-F18 HydrophobicContact CB-CD2 4.49Å; I11-F18 PolarHBondContact N-O 3.19Å; I11-F18 WeakPolarHBondContact O-CA 3.41Å; I11-F18 VanDerWaalsContact O-CB 3.26Å; I11-F18 WeakPolarHBondContact O-CB 3.16Å; I11-F18 WeakPolarHBondContact O-CD2 3.29Å; I11-F18 WeakPolarHBondContact O-CG 3.13Å; I11-F18 PolarHBondContact O-N 2.78Å; I11-V20 HydrophobicContact CD1-CG2 3.52Å; I11-V20 HydrophobicContact CG1-CG2 3.98Å; I11-P45 HydrophobicContact CD1-CG 3.65Å; I11-P45 HydrophobicContact CG1-CG 3.51Å; I11-F47 HydrophobicContact CG2-CE1 4.25Å; I11-F47 HydrophobicContact CG2-CE2 4.12Å; I11-F47 HydrophobicContact CG2-CZ 3.44Å; I11-F47 VanDerWaalsContact CG2-CZ 3.44Å; I11-F144 HydrophobicContact CD1-CD1 4.07Å; I11-F144 HydrophobicContact CD1-CE1 3.03Å; I11-F144 HydrophobicContact CD1-CZ 3.34Å; I11-F144 HydrophobicContact CG1-CE1 4.37Å; I11-F144 HydrophobicContact CG2-CD1 4.37Å; I11-F144 HydrophobicContact CG2-CE1 4.25Å; I11-P146 HydrophobicContact CD1-CB 4.16Å
12K43.4Very low42.6Very low134 Ų13473.9 Ų73.958%0.58339%0.393SS*.EExtended strand (participates in β ladder)trans-108.2107.2167.3-93.4177.3-179.11800110.7R16 Q44K12-R16 CarbonylContact C-O 3.38Å; K12-R16 WeakPolarHBondContact CA-O 2.86Å; K12-R16 WeakPolarHBondContact CG-O 2.89Å; K12-Q44 VanDerWaalsContact N-NE2 3.19Å
13I45.8Very low43Very low31 Ų3171.5 Ų71.516%0.15938%0.381CS..EExtended strand (participates in β ladder)trans-121.5129.6174.2-68.8163.5000107.9I11 R15 R16 F18 F47 F144 T203I11-I13 HydrophobicContact CG2-CD1 3.65Å; I11-I13 HydrophobicContact CG2-CG1 3.77Å; I13-R15 PolarHBondContact O-N 2.69Å; I13-R16 PolarHBondContact N-O 2.97Å; I13-R16 PolarHBondContact O-N 2.62Å; I13-F18 HydrophobicContact CB-CD2 4.47Å; I13-F18 HydrophobicContact CB-CE2 3.94Å; I13-F18 WeakPolarHBondContact O-CE2 3.01Å; I13-F47 HydrophobicContact CG1-CZ 4.13Å; I13-F144 HydrophobicContact CD1-CB 4.17Å; I13-F144 HydrophobicContact CD1-CD1 3.81Å; I13-F144 HydrophobicContact CD1-CG 4.36Å; I13-T203 HydrophobicContact CD1-CG2 3.68Å
14F47.6Very low43.7Very low124 Ų12474.2 Ų74.254%0.54439%0.388SS..THydrogen-bonded Turntrans4751.1-177.1-56.4-66.1000114.2R16F14-R16 PolarHBondContact O-N 2.75Å
15R46.8Very low44.1Very low253 Ų25376.4 Ų76.496%0.95539%0.387SS*.THydrogen-bonded Turntrans671179-59.3-177172.9179.8-1.9117.2I13I13-R15 PolarHBondContact O-N 2.69Å
16R45.6Very low44.8Very low128 Ų12882.9 Ų82.948%0.48339%0.394SS..EExtended strand (participates in β ladder)trans-93.9136172.2-71.7179.4175.5-176.82.1110.3K12 I13 F14 F18K12-R16 CarbonylContact C-O 3.38Å; K12-R16 WeakPolarHBondContact CA-O 2.86Å; K12-R16 WeakPolarHBondContact CG-O 2.89Å; I13-R16 PolarHBondContact N-O 2.97Å; I13-R16 PolarHBondContact O-N 2.62Å; F14-R16 PolarHBondContact O-N 2.75Å; R16-F18 HydrophobicContact CB-CD1 4.42Å; R16-F18 HydrophobicContact CB-CD2 4.32Å; R16-F18 HydrophobicContact CB-CE1 3.58Å; R16-F18 HydrophobicContact CB-CE2 3.42Å; R16-F18 VanDerWaalsContact CB-CE2 3.42Å; R16-F18 HydrophobicContact CB-CZ 3.03Å; R16-F18 HydrophobicContact CG-CE1 4.35Å; R16-F18 HydrophobicContact CG-CZ 3.9Å; R16-F18 VanDerWaalsContact O-CD2 3.29Å; R16-F18 WeakPolarHBondContact O-CD2 3.02Å; R16-F18 WeakPolarHBondContact O-CE2 3.05Å
17G40.2Very low46.4Very low48 Ų4888.1 Ų88.150%0.49542%0.415SS..EExtended strand (participates in β ladder)trans-90.1140.9168.200000111.2I11I11-G17 CarbonylContact O-C 3.48Å; I11-G17 WeakPolarHBondContact O-CA 3.36Å
18F52.1Low48.2Very low53 Ų5384 Ų8423%0.23240%0.397CS..EExtended strand (participates in β ladder)trans-141160.8-167.3-58.3-66.9000110.4L10 I11 I13 R16L10-F18 CarbonylContact C-O 3.59Å; L10-F18 WeakPolarHBondContact CA-O 3.48Å; L10-F18 WeakPolarHBondContact CB-O 3.44Å; L10-F18 WeakPolarHBondContact CD2-O 3Å; I11-F18 HydrophobicContact CB-CB 4.2Å; I11-F18 HydrophobicContact CB-CD2 4.49Å; I11-F18 PolarHBondContact N-O 3.19Å; I11-F18 WeakPolarHBondContact O-CA 3.41Å; I11-F18 VanDerWaalsContact O-CB 3.26Å; I11-F18 WeakPolarHBondContact O-CB 3.16Å; I11-F18 WeakPolarHBondContact O-CD2 3.29Å; I11-F18 WeakPolarHBondContact O-CG 3.13Å; I11-F18 PolarHBondContact O-N 2.78Å; I13-F18 HydrophobicContact CB-CD2 4.47Å; I13-F18 HydrophobicContact CB-CE2 3.94Å; I13-F18 WeakPolarHBondContact O-CE2 3.01Å; R16-F18 HydrophobicContact CB-CD1 4.42Å; R16-F18 HydrophobicContact CB-CD2 4.32Å; R16-F18 HydrophobicContact CB-CE1 3.58Å; R16-F18 HydrophobicContact CB-CE2 3.42Å; R16-F18 VanDerWaalsContact CB-CE2 3.42Å; R16-F18 HydrophobicContact CB-CZ 3.03Å; R16-F18 HydrophobicContact CG-CE1 4.35Å; R16-F18 HydrophobicContact CG-CZ 3.9Å; R16-F18 VanDerWaalsContact O-CD2 3.29Å; R16-F18 WeakPolarHBondContact O-CD2 3.02Å; R16-F18 WeakPolarHBondContact O-CE2 3.05Å
19A47.2Very low50.3Low12 Ų1284.1 Ų84.110%0.09940%0.401CS..EExtended strand (participates in β ladder)trans-129.5148.7171.700000112Y9 L10 A40Y9-A19 CarbonylContact O-C 3.43Å; Y9-A19 WeakPolarHBondContact O-CA 3.26Å; L10-A19 HydrophobicContact CD2-CB 4.43Å; A19-A40 WeakPolarHBondContact CB-O 3.36Å
20V47.6Very low52.4Low4 Ų482.3 Ų82.32%0.02439%0.394CS..EExtended strand (participates in β ladder)trans-128.1126-176.8-175.30000109.3I8 Y9 I11 P146 Q147I8-V20 CarbonylContact C-O 3.07Å; I8-V20 WeakPolarHBondContact CA-O 3.48Å; Y9-V20 PolarHBondContact N-O 3.37Å; Y9-V20 PolarHBondContact O-N 3.42Å; I11-V20 HydrophobicContact CD1-CG2 3.52Å; I11-V20 HydrophobicContact CG1-CG2 3.98Å; V20-P146 HydrophobicContact CB-CB 4.12Å; V20-P146 HydrophobicContact CG1-CB 3.72Å; V20-P146 WeakPolarHBondContact CG1-O 3.17Å; V20-P146 HydrophobicContact CG2-CB 3.25Å; V20-P146 HydrophobicContact CG2-CG 4.45Å; V20-Q147 HydrophobicContact CG1-CG 4.49Å
21V44.6Very low54.8Low26 Ų2681.2 Ų81.216%0.15839%0.386CS..EExtended strand (participates in β ladder)trans-96.3113.5170179.70000108.5I6 I8 N23 K38 A40I6-V21 HydrophobicContact CG2-CG1 3.68Å; I8-V21 HydrophobicContact CG1-CG2 4.45Å; V21-N23 PolarHBondContact O-N 2.91Å; V21-K38 HydrophobicContact CG2-CB 4.19Å; V21-K38 WeakPolarHBondContact CG2-O 3.4Å; V21-A40 HydrophobicContact CG2-CB 4.02Å
22S43.7Very low56.6Low41 Ų4183.1 Ų83.129%0.28740%0.397SS..EExtended strand (participates in β ladder)trans-79.196.6164177.30000108.4Q7Q7-S22 WeakPolarHBondContact O-CB 3.36Å; Q7-S22 PolarHBondContact O-N 3.15Å
23N37.4Very low58.2Low71 Ų7178.3 Ų78.338%0.3838%0.38SS..  trans-95.3146.9159.8-85.1-18.5000108.1I6 V21I6-N23 VanDerWaalsContact CD1-OD1 3.31Å; I6-N23 WeakPolarHBondContact CD1-OD1 2.88Å; I6-N23 WeakPolarHBondContact CG1-OD1 3.47Å; V21-N23 PolarHBondContact O-N 2.91Å
24K44.3Very low59.3Low187 Ų18780.6 Ų80.681%0.81339%0.387SS*.SBendtrans-36150168-78-177.5176179.20112.5Y26K24-Y26 PolarHBondContact O-N 3.27Å
25P47.3Very low60.1Low126 Ų12680.9 Ų80.982%0.81839%0.394SS*.  trans-7391.9-152.332.9-34.4000109.9K27P25-K27 PolarHBondContact O-N 2.91Å
26Y50.6Low60.7Low196 Ų19671.7 Ų71.777%0.76937%0.366SS*.  trans-56.7128.9142.1-71-82.3000105.5K24 V28K24-Y26 PolarHBondContact O-N 3.27Å; Y26-V28 VanDerWaalsContact C-N 3.31Å; Y26-V28 WeakPolarHBondContact O-CG2 2.94Å; Y26-V28 PolarHBondContact O-N 2.92Å
27K68.7Low61.3Low167 Ų16766.1 Ų66.173%0.72635%0.347SS*.  trans-51.699.6177-172.7171.1-171.4161.90107.4P25 S29 E241P25-K27 PolarHBondContact O-N 2.91Å; K27-S29 PolarHBondContact O-N 3.02Å; K27-E241 IonicContact NZ-OE1 3.43Å; K27-E241 PolarHBondContact NZ-OE1 2.87Å
28V82.5Confident61.9Low18 Ų1871 Ų7111%0.10935%0.354CS..  trans-65.2132.1179.9178.50000106.3Y26 Q147 W240Y26-V28 VanDerWaalsContact C-N 3.31Å; Y26-V28 WeakPolarHBondContact O-CG2 2.94Å; Y26-V28 PolarHBondContact O-N 2.92Å; V28-Q147 HydrophobicContact CG2-CB 4.32Å; V28-W240 HydrophobicContact CB-CZ2 4.41Å; V28-W240 HydrophobicContact CG1-CZ2 4.04Å; V28-W240 PolarHBondContact O-NE1 2.94Å
29S88.2Confident61.5Low38 Ų3876 Ų7627%0.26638%0.378SS..  trans-85.6141.1175.9-1790000110.2K27 F31 D32K27-S29 PolarHBondContact O-N 3.02Å; S29-F31 PolarHBondContact O-N 2.9Å; S29-F31 VanDerWaalsContact O-N 3.14Å; S29-F31 PolarHBondContact OG-N 3.28Å; S29-D32 VanDerWaalsContact CB-CG 3.44Å; S29-D32 WeakPolarHBondContact CB-OD1 2.83Å; S29-D32 WeakPolarHBondContact CB-OD2 2.91Å; S29-D32 PolarHBondContact N-OD2 3Å; S29-D32 WeakPolarHBondContact O-CB 2.87Å; S29-D32 PolarHBondContact O-N 2.94Å; S29-D32 VanDerWaalsContact O-N 3.07Å
30I92Very high61.3Low1 Ų177 Ų771%0.00539%0.387CS..THydrogen-bonded Turntrans-59.4-21.2169.8-164.7-172.5000112.6A194 I197 N201 L236 L237 W240I30-A194 HydrophobicContact CD1-CB 4.18Å; I30-I197 HydrophobicContact CD1-CB 4.04Å; I30-I197 HydrophobicContact CD1-CG2 3.82Å; I30-I197 HydrophobicContact CG1-CB 4.35Å; I30-I197 HydrophobicContact CG1-CG2 3.95Å; I30-N201 PolarHBondContact O-ND2 2.98Å; I30-L236 HydrophobicContact CD1-CB 3.92Å; I30-L236 HydrophobicContact CD1-CD2 4.46Å; I30-L237 HydrophobicContact CG2-CD2 4.09Å; I30-W240 HydrophobicContact CB-CB 3.99Å; I30-W240 HydrophobicContact CB-CD2 3.61Å; I30-W240 HydrophobicContact CB-CE3 3.99Å; I30-W240 HydrophobicContact CB-CG 3.6Å; I30-W240 HydrophobicContact CD1-CB 4.16Å; I30-W240 HydrophobicContact CD1-CE3 4.27Å; I30-W240 HydrophobicContact CG1-CB 4.33Å; I30-W240 HydrophobicContact CG1-CD2 3.88Å; I30-W240 HydrophobicContact CG1-CE3 3.7Å; I30-W240 HydrophobicContact CG1-CG 4.17Å; I30-W240 HydrophobicContact CG1-CZ3 4.27Å; I30-W240 HydrophobicContact CG2-CG 4.46Å
31F88.6Confident61Low44 Ų4483.7 Ų83.719%0.19342%0.422CS..THydrogen-bonded Turntrans-102.24.9179.6-51.9-53.3000113.3S29 K212 E233 L236 L237S29-F31 PolarHBondContact O-N 2.9Å; S29-F31 VanDerWaalsContact O-N 3.14Å; S29-F31 PolarHBondContact OG-N 3.28Å; F31-K212 HydrophobicContact CD1-CG 4.11Å; F31-K212 HydrophobicContact CE1-CB 4.22Å; F31-K212 HydrophobicContact CE1-CG 4Å; F31-E233 HydrophobicContact CZ-CB 4.33Å; F31-E233 HydrophobicContact CZ-CG 4.1Å; F31-L236 HydrophobicContact CE1-CD1 4.38Å; F31-L236 HydrophobicContact CZ-CD1 4.46Å; F31-L237 HydrophobicContact CE2-CD2 4.12Å; F31-L237 HydrophobicContact CE2-CG 4.35Å
32D84.4Confident61.2Low44 Ų4483.1 Ų83.124%0.23542%0.421CS..  trans-60.8150.8175-78-25.1000110.7S29 T36 N201 F202S29-D32 VanDerWaalsContact CB-CG 3.44Å; S29-D32 WeakPolarHBondContact CB-OD1 2.83Å; S29-D32 WeakPolarHBondContact CB-OD2 2.91Å; S29-D32 PolarHBondContact N-OD2 3Å; S29-D32 WeakPolarHBondContact O-CB 2.87Å; S29-D32 PolarHBondContact O-N 2.94Å; S29-D32 VanDerWaalsContact O-N 3.07Å; D32-T36 HydrophobicContact CB-CG2 4.22Å; D32-N201 CarbonylContact O-C 3.41Å; D32-F202 HydrophobicContact CB-CD2 4.46Å; D32-F202 HydrophobicContact CB-CE2 4.27Å
33S78Confident61.6Low33 Ų3387.9 Ų87.923%0.23144%0.444CS..  trans-122.6167.6176.768.40000109.6N35 T36S33-N35 PolarHBondContact O-N 3.43Å; S33-T36 PolarHBondContact O-N 2.99Å; S33-T36 PolarHBondContact O-OG1 3.03Å
34W67.9Low62.3Low78 Ų7888.6 Ų88.630%0.29545%0.445SS..G310 helixtrans-39.7-37.2175.6138.3-93.1000115.5T36 C37 H39W34-T36 PolarHBondContact O-N 2.97Å; W34-C37 HydrophobicContact CE3-CB 4.04Å; W34-C37 HydrophobicContact CZ3-CB 3.97Å; W34-C37 WeakPolarHBondContact O-CB 3.17Å; W34-C37 PolarHBondContact O-N 2.89Å; W34-H39 AromaticContact CH2-CE1 3.36Å; W34-H39 WeakPolarHBondContact CH2-CE1 3.35Å; W34-H39 AromaticContact CH2-ND1 3.82Å; W34-H39 AromaticContact CH2-NE2 3.9Å; W34-H39 AromaticContact CZ2-CE1 3.52Å; W34-H39 AromaticContact CZ2-NE2 3.79Å
35N63.5Low62.9Low130 Ų13080.2 Ų80.270%0.69541%0.409SS*.G310 helixtrans-59.3-13.9-176.7-69.1-25.3000113.5S33S33-N35 PolarHBondContact O-N 3.43Å
36T61Low63.8Low60 Ų6077.1 Ų77.137%0.36839%0.386SS..G310 helixtrans-82-13.2174.6660000113.4D32 S33 W34D32-T36 HydrophobicContact CB-CG2 4.22Å; S33-T36 PolarHBondContact O-N 2.99Å; S33-T36 PolarHBondContact O-OG1 3.03Å; W34-T36 PolarHBondContact O-N 2.97Å
37C58.1Low64.8Low12 Ų1271 Ų718%0.08136%0.363CS..SBendtrans-77.1124.5172.5-78.80000111.2W34 F202W34-C37 HydrophobicContact CE3-CB 4.04Å; W34-C37 HydrophobicContact CZ3-CB 3.97Å; W34-C37 WeakPolarHBondContact O-CB 3.17Å; W34-C37 PolarHBondContact O-N 2.89Å; C37-F202 WeakPolarHBondContact SG-CE1 3.11Å; C37-F202 WeakPolarHBondContact SG-CZ 3.34Å
38K52Low65Low151 Ų15172.7 Ų72.766%0.65737%0.365SS*.PPolyproline II helixtrans-75.9136168.3-66.1-175.2179.1-177.30110.1V21V21-K38 HydrophobicContact CG2-CB 4.19Å; V21-K38 WeakPolarHBondContact CG2-O 3.4Å
39H43.1Very low65Low157 Ų15778 Ų7873%0.72739%0.393SS*.PPolyproline II helixtrans-67.1125.6172.4-63.7-86.1000110.6W34W34-H39 AromaticContact CH2-CE1 3.36Å; W34-H39 WeakPolarHBondContact CH2-CE1 3.35Å; W34-H39 AromaticContact CH2-ND1 3.82Å; W34-H39 AromaticContact CH2-NE2 3.9Å; W34-H39 AromaticContact CZ2-CE1 3.52Å; W34-H39 AromaticContact CZ2-NE2 3.79Å
40A42.9Very low65.1Low34 Ų3476.7 Ų76.728%0.28138%0.383SS..  trans-155.8160.9167.100000111.4I8 A19 V21I8-A40 HydrophobicContact CD1-CB 3.92Å; I8-A40 HydrophobicContact CG2-CB 4.1Å; A19-A40 WeakPolarHBondContact CB-O 3.36Å; V21-A40 HydrophobicContact CG2-CB 4.02Å
41D42.8Very low65.3Low144 Ų14477.1 Ų77.177%0.7739%0.386SS*.  trans-84.6113.8-174.956.8-20.7000113.3
42G49.1Very low65.6Low14 Ų1476.1 Ų76.114%0.14438%0.384CS..  trans-168.2158.4177.600000114.9L10L10-G42 WeakPolarHBondContact CB-O 3.48Å; L10-G42 WeakPolarHBondContact CD1-O 3.37Å; L10-G42 WeakPolarHBondContact CG-O 3.17Å; L10-G42 PolarHBondContact N-O 3.06Å
43N51.5Low66.3Low141 Ų14174.1 Ų74.175%0.75437%0.373SS*.PPolyproline II helixtrans-64.6153.8-172.2-81.7-12.4000115.3Y9 L10Y9-N43 CarbonylContact C-O 3.35Å; Y9-N43 WeakPolarHBondContact CA-O 3.31Å; L10-N43 PolarHBondContact N-O 3.32Å
44Q52.4Low67.1Low85 Ų8575.9 Ų75.940%0.39739%0.386SS..PPolyproline II helixtrans-64.2137.9178.2-55.4-124-54.700113.6L10 K12 D46L10-Q44 VanDerWaalsContact C-NE2 3.35Å; L10-Q44 HydrophobicContact CB-CB 4.33Å; L10-Q44 HydrophobicContact CB-CG 3.71Å; L10-Q44 WeakPolarHBondContact O-CA 3.32Å; L10-Q44 WeakPolarHBondContact O-CB 3.28Å; L10-Q44 WeakPolarHBondContact O-CG 3.21Å; L10-Q44 PolarHBondContact O-NE2 3.01Å; K12-Q44 VanDerWaalsContact N-NE2 3.19Å; Q44-D46 PolarHBondContact O-N 2.7Å
45P56.2Low68.5Low11 Ų1174.8 Ų74.87%0.07139%0.387CS..PPolyproline II helixtrans-66.3132.4168.926.1-19.1000107.1Y9 L10 I11 F47Y9-P45 HydrophobicContact CD1-CB 3.76Å; Y9-P45 HydrophobicContact CD1-CG 4.39Å; Y9-P45 HydrophobicContact CE1-CB 4.42Å; Y9-P45 HydrophobicContact CG-CB 4.21Å; Y9-P45 HydrophobicContact CG-CG 4.41Å; L10-P45 WeakPolarHBondContact O-CD 3.34Å; I11-P45 HydrophobicContact CD1-CG 3.65Å; I11-P45 HydrophobicContact CG1-CG 3.51Å; P45-F47 PolarHBondContact O-N 3.04Å
46D66.2Low70.1Confident62 Ų6268.6 Ų68.633%0.33235%0.354SS..  trans-68.1105.8168.5-170.9-13.8000108Q44 R48 N49Q44-D46 PolarHBondContact O-N 2.7Å; D46-R48 PolarHBondContact O-N 3.48Å; D46-R48 WeakPolarHBondContact OD1-CB 3.31Å; D46-R48 VanDerWaalsContact OD1-CG 3.28Å; D46-R48 WeakPolarHBondContact OD1-CG 3.36Å; D46-R48 IonicContact OD1-CZ 3.26Å; D46-R48 PolarHBondContact OD1-N 2.83Å; D46-R48 IonicContact OD1-NE 2.74Å; D46-R48 PolarHBondContact OD1-NE 2.73Å; D46-R48 IonicContact OD1-NH2 3.62Å; D46-R48 IonicContact OD2-CZ 3.88Å; D46-R48 VanDerWaalsContact OD2-CZ 3.25Å; D46-R48 IonicContact OD2-NE 2.97Å; D46-R48 PolarHBondContact OD2-NE 2.82Å; D46-R48 IonicContact OD2-NH2 3.9Å; D46-R48 PolarHBondContact OD2-NH2 2.91Å; D46-N49 PolarHBondContact O-N 2.68Å
47F70.7Confident71.8Confident67 Ų6766.5 Ų66.529%0.29434%0.341SS..THydrogen-bonded Turntrans-54.9-20.4178-78.5-81.5000113.3I11 I13 P45 N49 V50 F144 R151I11-F47 HydrophobicContact CG2-CE1 4.25Å; I11-F47 HydrophobicContact CG2-CE2 4.12Å; I11-F47 HydrophobicContact CG2-CZ 3.44Å; I11-F47 VanDerWaalsContact CG2-CZ 3.44Å; I13-F47 HydrophobicContact CG1-CZ 4.13Å; P45-F47 PolarHBondContact O-N 3.04Å; F47-N49 VanDerWaalsContact C-N 3.27Å; F47-N49 PolarHBondContact O-N 3.14Å; F47-V50 PolarHBondContact O-N 3.31Å; F47-F144 HydrophobicContact CD1-CD2 4.44Å; F47-F144 HydrophobicContact CE1-CB 4.47Å; F47-F144 HydrophobicContact CE1-CD1 4.48Å; F47-F144 HydrophobicContact CE1-CD2 4.05Å; F47-F144 HydrophobicContact CE1-CE2 4.47Å; F47-F144 HydrophobicContact CE1-CG 4.04Å; F47-R151 PolarHBondContact O-NE 3.39Å
48R73.4Confident73.6Confident202 Ų20270 Ų7076%0.76237%0.365SS*.THydrogen-bonded Turntrans-67-28.9174.6-61.3177.6-68.3177.82.4112.6D46D46-R48 PolarHBondContact O-N 3.48Å; D46-R48 WeakPolarHBondContact OD1-CB 3.31Å; D46-R48 VanDerWaalsContact OD1-CG 3.28Å; D46-R48 WeakPolarHBondContact OD1-CG 3.36Å; D46-R48 IonicContact OD1-CZ 3.26Å; D46-R48 PolarHBondContact OD1-N 2.83Å; D46-R48 IonicContact OD1-NE 2.74Å; D46-R48 PolarHBondContact OD1-NE 2.73Å; D46-R48 IonicContact OD1-NH2 3.62Å; D46-R48 IonicContact OD2-CZ 3.88Å; D46-R48 VanDerWaalsContact OD2-CZ 3.25Å; D46-R48 IonicContact OD2-NE 2.97Å; D46-R48 PolarHBondContact OD2-NE 2.82Å; D46-R48 IonicContact OD2-NH2 3.9Å; D46-R48 PolarHBondContact OD2-NH2 2.91Å
49N83.4Confident75.6Confident130 Ų13068.6 Ų68.670%0.69536%0.359SS*.SBendtrans-92.9-6.1179.2-62.8-17.6000112.6D46 F47 P51D46-N49 PolarHBondContact O-N 2.68Å; F47-N49 VanDerWaalsContact C-N 3.27Å; F47-N49 PolarHBondContact O-N 3.14Å; N49-P51 WeakPolarHBondContact O-CD 3.48Å
50V90.2Very high78.2Confident10 Ų1061.7 Ų61.76%0.06133%0.328CS..SBendtrans-81.2119176177.70000108.6F47 F144 R151F47-V50 PolarHBondContact O-N 3.31Å; V50-F144 HydrophobicContact CG1-CD2 4.01Å; V50-F144 HydrophobicContact CG1-CE2 3.74Å; V50-F144 HydrophobicContact CG2-CE2 4.13Å; V50-R151 HydrophobicContact CG1-CB 4.03Å; V50-R151 HydrophobicContact CG1-CG 4.01Å; V50-R151 PolarHBondContact O-NE 2.79Å
51P95.2Very high80.6Confident10 Ų1062 Ų627%0.06533%0.327CS..PPolyproline II helixtrans-66.7147.9-179.331.2-39.7000111.7N49 T55 I56 L149 R151 Y250N49-P51 WeakPolarHBondContact O-CD 3.48Å; P51-T55 HydrophobicContact CB-CG2 4.33Å; P51-I56 HydrophobicContact CB-CD1 4.2Å; P51-I56 HydrophobicContact CB-CG1 3.92Å; P51-I56 HydrophobicContact CG-CD1 3.85Å; P51-I56 HydrophobicContact CG-CG1 4Å; P51-L149 WeakPolarHBondContact CD-O 3.46Å; P51-R151 PolarHBondContact O-N 3.32Å; P51-Y250 HydrophobicContact CB-CD1 4.46Å; P51-Y250 HydrophobicContact CB-CE1 3.64Å; P51-Y250 HydrophobicContact CG-CD1 4.14Å; P51-Y250 HydrophobicContact CG-CE1 3.55Å
52T96.6Very high82.9Confident24 Ų2457.4 Ų57.415%0.14731%0.305CS..BIsolated β-bridgetrans-78.5158.6170.962.60000110.8S54 T55 I56 R151T52-S54 PolarHBondContact O-N 2.91Å; T52-S54 PolarHBondContact OG1-OG 3Å; T52-T55 WeakPolarHBondContact O-CB 3.28Å; T52-T55 PolarHBondContact O-N 2.78Å; T52-T55 WeakPolarHBondContact OG1-CB 3.5Å; T52-T55 PolarHBondContact OG1-N 2.87Å; T52-T55 PolarHBondContact OG1-OG1 2.88Å; T52-I56 PolarHBondContact O-N 3.23Å; T52-R151 CarbonylContact C-O 3.58Å; T52-R151 WeakPolarHBondContact CA-O 3.47Å; T52-R151 HydrophobicContact CG2-CG 4.14Å; T52-R151 VanDerWaalsContact CG2-CZ 3.4Å
53V97.8Very high84.9Confident1 Ų162.8 Ų62.81%0.00633%0.33CS..Hα-helixtrans-50.3-46.4169.5173.10000110.8T55 I56 L57 Y150 R151 Q192 A195 Y196 W243V53-T55 PolarHBondContact O-N 2.82Å; V53-I56 PolarHBondContact O-N 3.23Å; V53-L57 HydrophobicContact CG1-CD1 3.94Å; V53-L57 HydrophobicContact CG1-CG 4.34Å; V53-L57 WeakPolarHBondContact O-CG 3.39Å; V53-L57 PolarHBondContact O-N 3.29Å; V53-Y150 HydrophobicContact CG2-CD2 3.72Å; V53-Y150 HydrophobicContact CG2-CE2 4Å; V53-R151 PolarHBondContact N-O 2.73Å; V53-Q192 HydrophobicContact CG1-CB 4.45Å; V53-Q192 HydrophobicContact CG1-CG 4.01Å; V53-A195 HydrophobicContact CG1-CB 3.9Å; V53-A195 HydrophobicContact CG2-CB 3.79Å; V53-Y196 HydrophobicContact CB-CD1 4.47Å; V53-Y196 HydrophobicContact CB-CE1 3.75Å; V53-Y196 HydrophobicContact CG1-CE1 4.11Å; V53-Y196 HydrophobicContact CG2-CD1 3.86Å; V53-Y196 HydrophobicContact CG2-CE1 3.58Å; V53-W243 HydrophobicContact CB-CH2 4.12Å; V53-W243 HydrophobicContact CG1-CH2 3.83Å; V53-W243 HydrophobicContact CG1-CZ2 4.43Å; V53-W243 HydrophobicContact CG1-CZ3 4.13Å; V53-W243 HydrophobicContact CG2-CH2 4.16Å; V53-W243 HydrophobicContact CG2-CZ2 4.07Å
54S96.1Very high86.8Confident71 Ų7163.8 Ų63.850%0.49733%0.33SS..Hα-helixtrans-62.4-37.8177.654.60000113.8T52 S58T52-S54 PolarHBondContact O-N 2.91Å; T52-S54 PolarHBondContact OG1-OG 3Å; S54-S58 VanDerWaalsContact O-CB 3.24Å; S54-S58 WeakPolarHBondContact O-CB 3.47Å; S54-S58 PolarHBondContact O-N 3.41Å
55T96.6Very high88.6Confident54 Ų5461.7 Ų61.733%0.33133%0.325SS..Hα-helixtrans-65-46.3176.1-650000111.4P51 T52 V53 S58 K59 Y250P51-T55 HydrophobicContact CB-CG2 4.33Å; T52-T55 WeakPolarHBondContact O-CB 3.28Å; T52-T55 PolarHBondContact O-N 2.78Å; T52-T55 WeakPolarHBondContact OG1-CB 3.5Å; T52-T55 PolarHBondContact OG1-N 2.87Å; T52-T55 PolarHBondContact OG1-OG1 2.88Å; V53-T55 PolarHBondContact O-N 2.82Å; T55-S58 PolarHBondContact O-N 3.45Å; T55-K59 HydrophobicContact CG2-CG 4.49Å; T55-K59 WeakPolarHBondContact O-CB 3.43Å; T55-K59 WeakPolarHBondContact O-CG 2.98Å; T55-K59 PolarHBondContact O-N 3.36Å; T55-Y250 HydrophobicContact CG2-CE2 4.01Å
56I97.6Very high90.3Very high0 Ų062.8 Ų62.80%033%0.331CS..Hα-helixtrans-62.5-49178.5-67.5163.1000110P51 T52 V53 S58 K59 T60 Y150 W243 R246 V247 Y250P51-I56 HydrophobicContact CB-CD1 4.2Å; P51-I56 HydrophobicContact CB-CG1 3.92Å; P51-I56 HydrophobicContact CG-CD1 3.85Å; P51-I56 HydrophobicContact CG-CG1 4Å; T52-I56 PolarHBondContact O-N 3.23Å; V53-I56 PolarHBondContact O-N 3.23Å; I56-S58 VanDerWaalsContact C-N 3.35Å; I56-S58 PolarHBondContact O-N 2.88Å; I56-K59 PolarHBondContact O-N 2.76Å; I56-T60 WeakPolarHBondContact O-CB 3.33Å; I56-T60 WeakPolarHBondContact O-CG2 3.38Å; I56-T60 PolarHBondContact O-N 2.84Å; I56-T60 PolarHBondContact O-OG1 2.8Å; I56-Y150 HydrophobicContact CD1-CG 4.36Å; I56-W243 HydrophobicContact CB-CH2 3.67Å; I56-W243 HydrophobicContact CB-CZ3 4.14Å; I56-W243 HydrophobicContact CD1-CH2 3.75Å; I56-W243 HydrophobicContact CD1-CZ2 3.86Å; I56-W243 HydrophobicContact CG1-CH2 4.32Å; I56-W243 HydrophobicContact CG2-CH2 3.58Å; I56-W243 HydrophobicContact CG2-CZ2 4.42Å; I56-W243 HydrophobicContact CG2-CZ3 3.71Å; I56-R246 HydrophobicContact CG2-CB 4.1Å; I56-V247 HydrophobicContact CD1-CG2 4.29Å; I56-Y250 HydrophobicContact CB-CG 4.49Å; I56-Y250 HydrophobicContact CG1-CD1 4.05Å; I56-Y250 HydrophobicContact CG1-CD2 4.17Å; I56-Y250 HydrophobicContact CG1-CE1 4.47Å; I56-Y250 HydrophobicContact CG1-CG 3.89Å
57L96.9Very high91.6Very high16 Ų1663.2 Ų63.28%0.08433%0.333CS..Hα-helixtrans-56.2-50.8177.7-71.4176000110.8V53 K59 T60 T61 D188 L191 Q192 W243V53-L57 HydrophobicContact CG1-CD1 3.94Å; V53-L57 HydrophobicContact CG1-CG 4.34Å; V53-L57 WeakPolarHBondContact O-CG 3.39Å; V53-L57 PolarHBondContact O-N 3.29Å; L57-K59 PolarHBondContact O-N 3.48Å; L57-T60 CarbonylContact O-C 3.37Å; L57-T60 PolarHBondContact O-N 3.06Å; L57-T61 PolarHBondContact O-N 3.19Å; L57-T61 PolarHBondContact O-OG1 3.17Å; L57-D188 HydrophobicContact CD1-CB 4.23Å; L57-D188 HydrophobicContact CD2-CB 3.99Å; L57-L191 HydrophobicContact CD2-CB 4.15Å; L57-Q192 HydrophobicContact CD1-CB 4.01Å; L57-Q192 HydrophobicContact CD1-CG 4.38Å; L57-W243 HydrophobicContact CD2-CE3 4.1Å; L57-W243 HydrophobicContact CD2-CZ3 3.69Å; L57-W243 HydrophobicContact CG-CZ3 3.85Å
58S95.1Very high92.6Very high85 Ų8562.6 Ų62.659%0.59434%0.339SS*.Hα-helixtrans-58.8-46.5-179.5176.80000112.6S54 T55 I56 T60 T61S54-S58 VanDerWaalsContact O-CB 3.24Å; S54-S58 WeakPolarHBondContact O-CB 3.47Å; S54-S58 PolarHBondContact O-N 3.41Å; T55-S58 PolarHBondContact O-N 3.45Å; I56-S58 VanDerWaalsContact C-N 3.35Å; I56-S58 PolarHBondContact O-N 2.88Å; S58-T60 VanDerWaalsContact C-N 3.34Å; S58-T60 PolarHBondContact O-N 2.91Å; S58-T61 WeakPolarHBondContact CA-OG1 3.19Å; S58-T61 PolarHBondContact O-OG1 3.25Å
59K95.1Very high93.5Very high122 Ų12257.4 Ų57.453%0.5333%0.326SS..Hα-helixtrans-74.1-23.2-177.4-74.5-69.2-172.1175.20114.3T55 I56 L57 Y250T55-K59 HydrophobicContact CG2-CG 4.49Å; T55-K59 WeakPolarHBondContact O-CB 3.43Å; T55-K59 WeakPolarHBondContact O-CG 2.98Å; T55-K59 PolarHBondContact O-N 3.36Å; I56-K59 PolarHBondContact O-N 2.76Å; L57-K59 PolarHBondContact O-N 3.48Å; K59-Y250 HydrophobicContact CB-CD2 3.87Å; K59-Y250 HydrophobicContact CB-CE2 4.06Å; K59-Y250 HydrophobicContact CG-CD2 4.43Å; K59-Y250 HydrophobicContact CG-CE2 4.11Å
60T95.8Very high94Very high12 Ų1258.4 Ų58.47%0.07432%0.321CS..THydrogen-bonded Turntrans-107.513.2-179.563.80000112.9I56 L57 S58 R246 T249I56-T60 WeakPolarHBondContact O-CB 3.33Å; I56-T60 WeakPolarHBondContact O-CG2 3.38Å; I56-T60 PolarHBondContact O-N 2.84Å; I56-T60 PolarHBondContact O-OG1 2.8Å; L57-T60 CarbonylContact O-C 3.37Å; L57-T60 PolarHBondContact O-N 3.06Å; S58-T60 VanDerWaalsContact C-N 3.34Å; S58-T60 PolarHBondContact O-N 2.91Å; T60-R246 VanDerWaalsContact C-NH1 3.31Å; T60-R246 WeakPolarHBondContact CG2-O 3.43Å; T60-R246 PolarHBondContact O-NH1 2.9Å; T60-R246 WeakPolarHBondContact OG1-CD 3.01Å; T60-R246 PolarHBondContact OG1-NH1 2.7Å; T60-T249 HydrophobicContact CG2-CG2 3.98Å
61T93.6Very high94.2Very high41 Ų4165 Ų6525%0.25235%0.348SS..  trans-55.1130.2-178.8-57.50000110L57 S58 T66L57-T61 PolarHBondContact O-N 3.19Å; L57-T61 PolarHBondContact O-OG1 3.17Å; S58-T61 WeakPolarHBondContact CA-OG1 3.19Å; S58-T61 PolarHBondContact O-OG1 3.25Å; T61-T66 WeakPolarHBondContact CG2-OG1 3.25Å
62P91.9Very high94.2Very high48 Ų4867.8 Ų67.831%0.31236%0.358SS..  trans-57148.1176.4-24.835.7000111.3E64 S65 T66P62-E64 PolarHBondContact O-N 2.87Å; P62-S65 PolarHBondContact O-N 3.36Å; P62-S65 VanDerWaalsContact O-N 3.11Å; P62-T66 PolarHBondContact O-N 3.46Å; P62-T66 PolarHBondContact O-OG1 3.33Å
63L91.5Very high94.1Very high127 Ų12769.4 Ų69.467%0.66536%0.363SS*.Hα-helixtrans-55.7-40.7-177.4179.459.7000112S65 T66 I67L63-S65 PolarHBondContact O-N 3.44Å; L63-T66 WeakPolarHBondContact O-CB 3.22Å; L63-T66 PolarHBondContact O-N 3.06Å; L63-I67 HydrophobicContact CD1-CD1 4.03Å; L63-I67 HydrophobicContact CD1-CG1 4.2Å; L63-I67 HydrophobicContact CD2-CD1 4.5Å; L63-I67 HydrophobicContact CG-CD1 3.83Å; L63-I67 HydrophobicContact CG-CG1 4.42Å; L63-I67 VanDerWaalsContact O-CG1 3.29Å; L63-I67 WeakPolarHBondContact O-CG1 3.48Å; L63-I67 PolarHBondContact O-N 3.07Å
64E91.1Very high94Very high162 Ų16273.6 Ų73.676%0.75739%0.386SS*.Hα-helixtrans-60.1-45.6178.6-64165.6179.100112.2P62 I67 A68P62-E64 PolarHBondContact O-N 2.87Å; E64-I67 PolarHBondContact O-N 3.14Å; E64-A68 WeakPolarHBondContact O-CB 3.48Å; E64-A68 PolarHBondContact O-N 2.75Å
65S90.8Very high94Very high41 Ų4177 Ų7729%0.28739%0.392SS..Hα-helixtrans-66.7-38.4176.7-55.70000111.5P62 L63 A68 L69P62-S65 PolarHBondContact O-N 3.36Å; P62-S65 VanDerWaalsContact O-N 3.11Å; L63-S65 PolarHBondContact O-N 3.44Å; S65-A68 PolarHBondContact O-N 2.88Å; S65-L69 WeakPolarHBondContact O-CB 3.45Å; S65-L69 PolarHBondContact O-N 3.1Å
66T91.8Very high93.9Very high34 Ų3475.8 Ų75.821%0.20938%0.382CS..Hα-helixtrans-62.9-44.6174.9-60.50000111.4T61 P62 L63 L69 R70T61-T66 WeakPolarHBondContact CG2-OG1 3.25Å; P62-T66 PolarHBondContact O-N 3.46Å; P62-T66 PolarHBondContact O-OG1 3.33Å; L63-T66 WeakPolarHBondContact O-CB 3.22Å; L63-T66 PolarHBondContact O-N 3.06Å; T66-L69 PolarHBondContact O-N 3.08Å; T66-R70 WeakPolarHBondContact O-CG 3.26Å; T66-R70 PolarHBondContact O-N 3.45Å
67I93.7Very high93.9Very high71 Ų7178.7 Ų78.736%0.36439%0.394SS..Hα-helixtrans-63.7-44176.2-69.5167.4000110.6L63 E64 L69 R70 K71L63-I67 HydrophobicContact CD1-CD1 4.03Å; L63-I67 HydrophobicContact CD1-CG1 4.2Å; L63-I67 HydrophobicContact CD2-CD1 4.5Å; L63-I67 HydrophobicContact CG-CD1 3.83Å; L63-I67 HydrophobicContact CG-CG1 4.42Å; L63-I67 VanDerWaalsContact O-CG1 3.29Å; L63-I67 WeakPolarHBondContact O-CG1 3.48Å; L63-I67 PolarHBondContact O-N 3.07Å; E64-I67 PolarHBondContact O-N 3.14Å; I67-L69 VanDerWaalsContact C-N 3.35Å; I67-L69 PolarHBondContact O-N 3.45Å; I67-R70 PolarHBondContact O-N 3.21Å; I67-K71 HydrophobicContact CG2-CD 4.08Å; I67-K71 HydrophobicContact CG2-CG 4.41Å; I67-K71 WeakPolarHBondContact O-CB 2.91Å; I67-K71 WeakPolarHBondContact O-CG 3.48Å; I67-K71 PolarHBondContact O-N 3.44Å
68A91.1Very high93.9Very high53 Ų5384.9 Ų84.944%0.43843%0.428SS..Hα-helixtrans-61.5-43.2178.200000111.8E64 S65 W72E64-A68 WeakPolarHBondContact O-CB 3.48Å; E64-A68 PolarHBondContact O-N 2.75Å; S65-A68 PolarHBondContact O-N 2.88Å; A68-W72 PolarHBondContact O-N 3.05Å; A68-W72 VanDerWaalsContact O-N 3.09Å
69L91.6Very high94Very high93 Ų9386.4 Ų86.449%0.48743%0.426SS..Hα-helixtrans-63-48.3176.3-179.860.3000111.4S65 T66 I67 K71 W72 Q73S65-L69 WeakPolarHBondContact O-CB 3.45Å; S65-L69 PolarHBondContact O-N 3.1Å; T66-L69 PolarHBondContact O-N 3.08Å; I67-L69 VanDerWaalsContact C-N 3.35Å; I67-L69 PolarHBondContact O-N 3.45Å; L69-K71 PolarHBondContact O-N 3.03Å; L69-W72 HydrophobicContact CD1-CE3 4.22Å; L69-W72 PolarHBondContact O-N 2.8Å; L69-Q73 HydrophobicContact CD1-CG 4.35Å; L69-Q73 WeakPolarHBondContact O-CG 3.37Å; L69-Q73 PolarHBondContact O-N 3.42Å
70R94.4Very high94.1Very high152 Ų15284 Ų8457%0.57442%0.418SS*.Hα-helixtrans-58.3-47.7177.5-74.1177.9-176.3173.42.2111.7T66 I67 W72 Q73 D74T66-R70 WeakPolarHBondContact O-CG 3.26Å; T66-R70 PolarHBondContact O-N 3.45Å; I67-R70 PolarHBondContact O-N 3.21Å; R70-W72 VanDerWaalsContact C-N 3.28Å; R70-W72 PolarHBondContact O-N 3.41Å; R70-Q73 PolarHBondContact O-N 3.43Å; R70-Q73 VanDerWaalsContact O-N 3.1Å; R70-D74 VanDerWaalsContact O-CG 3.24Å; R70-D74 PolarHBondContact O-N 2.84Å
71K95.1Very high94.1Very high147 Ų14785.2 Ų85.264%0.63943%0.433SS*.Hα-helixtrans-57.1-40.2176.5-76.4179.3177.6-179.90112.8I67 L69 K75I67-K71 HydrophobicContact CG2-CD 4.08Å; I67-K71 HydrophobicContact CG2-CG 4.41Å; I67-K71 WeakPolarHBondContact O-CB 2.91Å; I67-K71 WeakPolarHBondContact O-CG 3.48Å; I67-K71 PolarHBondContact O-N 3.44Å; L69-K71 PolarHBondContact O-N 3.03Å; K71-K75 WeakPolarHBondContact O-CB 3.35Å; K71-K75 PolarHBondContact O-N 2.75Å
72W93.3Very high94.3Very high70 Ų7087.5 Ų87.527%0.26544%0.44SS..Hα-helixtrans-67.7-43.4175.9173.290.5000111.8A68 L69 R70 K75 K76 F85 Y88 M89 L92 E176A68-W72 PolarHBondContact O-N 3.05Å; A68-W72 VanDerWaalsContact O-N 3.09Å; L69-W72 HydrophobicContact CD1-CE3 4.22Å; L69-W72 PolarHBondContact O-N 2.8Å; R70-W72 VanDerWaalsContact C-N 3.28Å; R70-W72 PolarHBondContact O-N 3.41Å; W72-K75 PolarHBondContact O-N 2.75Å; W72-K76 HydrophobicContact CD2-CG 4.42Å; W72-K76 HydrophobicContact CZ2-CG 4.11Å; W72-K76 PolarHBondContact O-N 3.43Å; W72-F85 HydrophobicContact CZ3-CE2 4.31Å; W72-Y88 HydrophobicContact CH2-CE1 4.12Å; W72-Y88 AromaticContact CZ2-CE1 3.97Å; W72-Y88 HydrophobicContact CZ2-CE1 3.97Å; W72-M89 HydrophobicContact CH2-SD 3.79Å; W72-M89 HydrophobicContact CZ3-SD 3.97Å; W72-L92 HydrophobicContact CH2-CD1 4.37Å; W72-E176 PolarHBondContact NE1-OE1 2.94Å
73Q94.8Very high94.5Very high57 Ų5792 Ų9227%0.26646%0.462SS..Hα-helixtrans-61.6-47.2176.7-68.8178.5-34.500111.3L69 R70 K75 K76 K77 F85L69-Q73 HydrophobicContact CD1-CG 4.35Å; L69-Q73 WeakPolarHBondContact O-CG 3.37Å; L69-Q73 PolarHBondContact O-N 3.42Å; R70-Q73 PolarHBondContact O-N 3.43Å; R70-Q73 VanDerWaalsContact O-N 3.1Å; Q73-K75 VanDerWaalsContact C-N 3.32Å; Q73-K75 PolarHBondContact O-N 2.97Å; Q73-K76 PolarHBondContact O-N 3.41Å; Q73-K76 VanDerWaalsContact O-N 3.11Å; Q73-K77 WeakPolarHBondContact O-CG 3.41Å; Q73-K77 PolarHBondContact O-N 2.96Å; Q73-F85 HydrophobicContact CB-CE2 4.29Å; Q73-F85 HydrophobicContact CB-CZ 4.05Å; Q73-F85 HydrophobicContact CG-CE2 4.3Å; Q73-F85 HydrophobicContact CG-CZ 3.89Å
74D96.8Very high94.8Very high90 Ų9087.3 Ų87.348%0.48145%0.445SS..Hα-helixtrans-60.8-42.4178.3-65.7-21.7000111.2R70 K76 K77 N78R70-D74 VanDerWaalsContact O-CG 3.24Å; R70-D74 PolarHBondContact O-N 2.84Å; D74-K76 VanDerWaalsContact C-N 3.34Å; D74-K76 PolarHBondContact O-N 3.11Å; D74-K77 PolarHBondContact O-N 3.41Å; D74-N78 WeakPolarHBondContact O-CB 3.36Å; D74-N78 PolarHBondContact O-N 3.48Å; D74-N78 PolarHBondContact O-ND2 3.37Å
75K95.7Very high95.1Very high141 Ų14180 Ų8061%0.61341%0.41SS*.Hα-helixtrans-58.5-45.8174-178.6-177.7175.3-175.80111.4K71 W72 Q73 N78 E79K71-K75 WeakPolarHBondContact O-CB 3.35Å; K71-K75 PolarHBondContact O-N 2.75Å; W72-K75 PolarHBondContact O-N 2.75Å; Q73-K75 VanDerWaalsContact C-N 3.32Å; Q73-K75 PolarHBondContact O-N 2.97Å; K75-N78 PolarHBondContact O-N 3.37Å; K75-E79 PolarHBondContact O-N 2.77Å; K75-E79 VanDerWaalsContact O-N 3.11Å
76K95Very high95.4Very high29 Ų2982.7 Ų82.713%0.12642%0.419CS..Hα-helixtrans-70.1-37.2-179.5-76.1-72.9168.5-160.10112.8W72 Q73 D74 E79 L80 F85 Y88W72-K76 HydrophobicContact CD2-CG 4.42Å; W72-K76 HydrophobicContact CZ2-CG 4.11Å; W72-K76 PolarHBondContact O-N 3.43Å; Q73-K76 PolarHBondContact O-N 3.41Å; Q73-K76 VanDerWaalsContact O-N 3.11Å; D74-K76 VanDerWaalsContact C-N 3.34Å; D74-K76 PolarHBondContact O-N 3.11Å; K76-E79 IonicContact NZ-OE1 2.66Å; K76-E79 IonicContact NZ-OE2 2.86Å; K76-E79 PolarHBondContact NZ-OE2 2.82Å; K76-E79 PolarHBondContact O-N 2.9Å; K76-L80 HydrophobicContact CD-CD1 4.41Å; K76-L80 WeakPolarHBondContact O-CB 3.45Å; K76-L80 PolarHBondContact O-N 3.48Å; K76-F85 HydrophobicContact CB-CD2 3.75Å; K76-F85 HydrophobicContact CB-CE2 4.04Å; K76-Y88 HydrophobicContact CD-CE1 4.15Å
77K96.9Very high95.7Very high61 Ų6185 Ų8527%0.26543%0.427SS..Hα-helixtrans-63.1-40.6172.4-73.3178.9176.6-138.10112.1Q73 D74 E79 G81 E82 F85Q73-K77 WeakPolarHBondContact O-CG 3.41Å; Q73-K77 PolarHBondContact O-N 2.96Å; D74-K77 PolarHBondContact O-N 3.41Å; K77-E79 VanDerWaalsContact C-N 3.28Å; K77-E79 PolarHBondContact O-N 2.6Å; K77-G81 CarbonylContact O-C 3.57Å; K77-G81 WeakPolarHBondContact O-CA 3.22Å; K77-G81 PolarHBondContact O-N 3.06Å; K77-E82 WeakPolarHBondContact CD-OE2 3.38Å; K77-E82 WeakPolarHBondContact CE-OE2 3.35Å; K77-E82 VanDerWaalsContact NZ-CD 3.32Å; K77-E82 IonicContact NZ-OE1 2.61Å; K77-E82 PolarHBondContact NZ-OE1 3.23Å; K77-E82 VanDerWaalsContact NZ-OE1 3.07Å; K77-E82 IonicContact NZ-OE2 3.69Å; K77-E82 PolarHBondContact NZ-OE2 3.47Å; K77-F85 HydrophobicContact CD-CD1 4.26Å; K77-F85 VanDerWaalsContact CE-CD1 3.48Å; K77-F85 VanDerWaalsContact CE-CE1 3.49Å; K77-F85 HydrophobicContact CG-CB 3.81Å; K77-F85 HydrophobicContact CG-CD1 3.74Å; K77-F85 HydrophobicContact CG-CD2 3.96Å; K77-F85 HydrophobicContact CG-CE1 4.3Å; K77-F85 HydrophobicContact CG-CE2 4.5Å; K77-F85 HydrophobicContact CG-CG 3.54Å
78N97.4Very high95.8Very high146 Ų14683.8 Ų83.878%0.78142%0.418SS*.Hα-helixtrans-66.7-30.2175.3-69.8-22.5000112.5D74 K75D74-N78 WeakPolarHBondContact O-CB 3.36Å; D74-N78 PolarHBondContact O-N 3.48Å; D74-N78 PolarHBondContact O-ND2 3.37Å; K75-N78 PolarHBondContact O-N 3.37Å
79E96.6Very high96Very high118 Ų11883.5 Ų83.555%0.55141%0.408SS*.Hα-helixtrans-78.7-40.9178.4-174.6-175.6167.200112.7K75 K76 K77K75-E79 PolarHBondContact O-N 2.77Å; K75-E79 VanDerWaalsContact O-N 3.11Å; K76-E79 IonicContact NZ-OE1 2.66Å; K76-E79 IonicContact NZ-OE2 2.86Å; K76-E79 PolarHBondContact NZ-OE2 2.82Å; K76-E79 PolarHBondContact O-N 2.9Å; K77-E79 VanDerWaalsContact C-N 3.28Å; K77-E79 PolarHBondContact O-N 2.6Å
80L96.4Very high96.2Very high71 Ų7184.4 Ų84.437%0.37241%0.405SS..Hα-helixtrans-111.2-10.4-168.2-58.5174.1000114.4K76 G84 Y88K76-L80 HydrophobicContact CD-CD1 4.41Å; K76-L80 WeakPolarHBondContact O-CB 3.45Å; K76-L80 PolarHBondContact O-N 3.48Å; L80-G84 WeakPolarHBondContact O-CA 3.37Å; L80-Y88 HydrophobicContact CD1-CD1 4.29Å; L80-Y88 HydrophobicContact CD1-CD2 4.43Å; L80-Y88 HydrophobicContact CD1-CG 3.93Å
81G97Very high96.3Very high37 Ų3782.1 Ų82.138%0.38140%0.401SS..Hα-helixtrans73.2173.2-162.700000112.5K77 F85K77-G81 CarbonylContact O-C 3.57Å; K77-G81 WeakPolarHBondContact O-CA 3.22Å; K77-G81 PolarHBondContact O-N 3.06Å; G81-F85 VanDerWaalsContact O-CB 3.23Å; G81-F85 WeakPolarHBondContact O-CB 3.13Å; G81-F85 PolarHBondContact O-N 3.27Å
82E96.4Very high96.2Very high89 Ų8976.6 Ų76.642%0.41638%0.378SS..Hα-helixtrans-65.3-50.5-179.2-17463.1-149.400111.6K77 G84 F85 Q86K77-E82 WeakPolarHBondContact CD-OE2 3.38Å; K77-E82 WeakPolarHBondContact CE-OE2 3.35Å; K77-E82 VanDerWaalsContact NZ-CD 3.32Å; K77-E82 IonicContact NZ-OE1 2.61Å; K77-E82 PolarHBondContact NZ-OE1 3.23Å; K77-E82 VanDerWaalsContact NZ-OE1 3.07Å; K77-E82 IonicContact NZ-OE2 3.69Å; K77-E82 PolarHBondContact NZ-OE2 3.47Å; E82-G84 PolarHBondContact O-N 3.41Å; E82-F85 WeakPolarHBondContact O-CB 3.11Å; E82-F85 PolarHBondContact O-N 3.01Å; E82-Q86 WeakPolarHBondContact O-CG 3.21Å; E82-Q86 PolarHBondContact O-N 2.98Å; E82-Q86 PolarHBondContact OE1-NE2 2.66Å
83D97.4Very high96.3Very high142 Ų14279.9 Ų79.976%0.75940%0.396SS*.Hα-helixtrans-63-42.8-179.4-66.9-21.9000111.7F85 Q86 E87D83-F85 VanDerWaalsContact C-N 3.32Å; D83-F85 PolarHBondContact O-N 3.16Å; D83-Q86 PolarHBondContact O-N 2.83Å; D83-E87 WeakPolarHBondContact O-CB 3.34Å; D83-E87 PolarHBondContact O-N 3.46Å
84G97.5Very high96.3Very high30 Ų3081.1 Ų81.131%0.30941%0.405SS..Hα-helixtrans-64.3-35.9175.800000112.5L80 E82 Y88L80-G84 WeakPolarHBondContact O-CA 3.37Å; E82-G84 PolarHBondContact O-N 3.41Å; G84-Y88 VanDerWaalsContact O-CB 3.25Å; G84-Y88 WeakPolarHBondContact O-CB 3.32Å; G84-Y88 PolarHBondContact O-N 2.92Å
85F97Very high96.3Very high8 Ų877.5 Ų77.54%0.03539%0.385CS..Hα-helixtrans-66-44.4172.9172.9-101.2000112.3W72 Q73 K76 K77 G81 E82 D83 E87 Y88 M89W72-F85 HydrophobicContact CZ3-CE2 4.31Å; Q73-F85 HydrophobicContact CB-CE2 4.29Å; Q73-F85 HydrophobicContact CB-CZ 4.05Å; Q73-F85 HydrophobicContact CG-CE2 4.3Å; Q73-F85 HydrophobicContact CG-CZ 3.89Å; K76-F85 HydrophobicContact CB-CD2 3.75Å; K76-F85 HydrophobicContact CB-CE2 4.04Å; K77-F85 HydrophobicContact CD-CD1 4.26Å; K77-F85 VanDerWaalsContact CE-CD1 3.48Å; K77-F85 VanDerWaalsContact CE-CE1 3.49Å; K77-F85 HydrophobicContact CG-CB 3.81Å; K77-F85 HydrophobicContact CG-CD1 3.74Å; K77-F85 HydrophobicContact CG-CD2 3.96Å; K77-F85 HydrophobicContact CG-CE1 4.3Å; K77-F85 HydrophobicContact CG-CE2 4.5Å; K77-F85 HydrophobicContact CG-CG 3.54Å; G81-F85 VanDerWaalsContact O-CB 3.23Å; G81-F85 WeakPolarHBondContact O-CB 3.13Å; G81-F85 PolarHBondContact O-N 3.27Å; E82-F85 WeakPolarHBondContact O-CB 3.11Å; E82-F85 PolarHBondContact O-N 3.01Å; D83-F85 VanDerWaalsContact C-N 3.32Å; D83-F85 PolarHBondContact O-N 3.16Å; F85-E87 VanDerWaalsContact C-N 3.33Å; F85-E87 PolarHBondContact O-N 3.28Å; F85-Y88 PolarHBondContact O-N 2.83Å; F85-M89 HydrophobicContact CD1-CG 4.33Å; F85-M89 HydrophobicContact CD2-CG 4.27Å; F85-M89 HydrophobicContact CE1-CG 3.87Å; F85-M89 HydrophobicContact CE2-CG 3.81Å; F85-M89 HydrophobicContact CE2-SD 3.92Å; F85-M89 HydrophobicContact CZ-CG 3.59Å; F85-M89 HydrophobicContact CZ-SD 3.89Å; F85-M89 VanDerWaalsContact O-CG 3.29Å; F85-M89 WeakPolarHBondContact O-CG 3.48Å; F85-M89 PolarHBondContact O-N 3.08Å
86Q97.6Very high96.3Very high98 Ų9871.3 Ų71.346%0.45836%0.361SS..Hα-helixtrans-62.5-42.6177.7-65.6-56.5-30.700111.6E82 D83 M89 R90E82-Q86 WeakPolarHBondContact O-CG 3.21Å; E82-Q86 PolarHBondContact O-N 2.98Å; E82-Q86 PolarHBondContact OE1-NE2 2.66Å; D83-Q86 PolarHBondContact O-N 2.83Å; Q86-M89 PolarHBondContact O-N 2.88Å; Q86-R90 WeakPolarHBondContact O-CB 3.26Å; Q86-R90 PolarHBondContact O-N 2.84Å
87E97.5Very high96.3Very high81 Ų8176.9 Ų76.938%0.37939%0.385SS..Hα-helixtrans-62.5-47.1175.5-179.76517300111.5D83 F85 M89 R90 E91D83-E87 WeakPolarHBondContact O-CB 3.34Å; D83-E87 PolarHBondContact O-N 3.46Å; F85-E87 VanDerWaalsContact C-N 3.33Å; F85-E87 PolarHBondContact O-N 3.28Å; E87-M89 VanDerWaalsContact C-N 3.34Å; E87-M89 PolarHBondContact O-N 3.12Å; E87-R90 WeakPolarHBondContact O-CB 3.36Å; E87-R90 PolarHBondContact O-N 3.41Å; E87-R90 VanDerWaalsContact O-N 3.1Å; E87-R90 IonicContact OE1-CZ 3.46Å; E87-R90 IonicContact OE1-NE 3.19Å; E87-R90 IonicContact OE1-NH2 3.9Å; E87-R90 PolarHBondContact OE1-NH2 3.01Å; E87-R90 IonicContact OE2-CZ 2.66Å; E87-R90 VanDerWaalsContact OE2-CZ 3.26Å; E87-R90 IonicContact OE2-NE 2.78Å; E87-R90 PolarHBondContact OE2-NE 2.58Å; E87-R90 IonicContact OE2-NH2 3.12Å; E87-R90 PolarHBondContact OE2-NH2 2.87Å; E87-E91 WeakPolarHBondContact O-CG 3.46Å; E87-E91 PolarHBondContact O-N 2.82Å
88Y95.8Very high96.2Very high46 Ų4676.2 Ų76.218%0.1839%0.389CS..Hα-helixtrans-55.7-47.6174.9177.2-109.6000111.7W72 K76 L80 G84 F85 R90 E91 L92W72-Y88 HydrophobicContact CH2-CE1 4.12Å; W72-Y88 AromaticContact CZ2-CE1 3.97Å; W72-Y88 HydrophobicContact CZ2-CE1 3.97Å; K76-Y88 HydrophobicContact CD-CE1 4.15Å; L80-Y88 HydrophobicContact CD1-CD1 4.29Å; L80-Y88 HydrophobicContact CD1-CD2 4.43Å; L80-Y88 HydrophobicContact CD1-CG 3.93Å; G84-Y88 VanDerWaalsContact O-CB 3.25Å; G84-Y88 WeakPolarHBondContact O-CB 3.32Å; G84-Y88 PolarHBondContact O-N 2.92Å; F85-Y88 PolarHBondContact O-N 2.83Å; Y88-R90 VanDerWaalsContact C-N 3.3Å; Y88-R90 PolarHBondContact O-N 2.92Å; Y88-E91 PolarHBondContact O-N 2.78Å; Y88-L92 HydrophobicContact CD1-CD1 4.08Å; Y88-L92 HydrophobicContact CD1-CG 4.45Å; Y88-L92 HydrophobicContact CE1-CD1 3.57Å; Y88-L92 HydrophobicContact CE1-CD2 4.49Å; Y88-L92 HydrophobicContact CE1-CG 4.15Å; Y88-L92 HydrophobicContact CE2-CD2 4.07Å; Y88-L92 HydrophobicContact CE2-CG 4.32Å; Y88-L92 WeakPolarHBondContact O-CG 3.24Å; Y88-L92 PolarHBondContact O-N 3.01Å
89M96Very high96.2Very high47 Ų4769.4 Ų69.423%0.23235%0.352CS..Hα-helixtrans-60.4-39.2177.1-71.2-59.4-60.500112.5W72 F85 Q86 E87 L92 Q93W72-M89 HydrophobicContact CH2-SD 3.79Å; W72-M89 HydrophobicContact CZ3-SD 3.97Å; F85-M89 HydrophobicContact CD1-CG 4.33Å; F85-M89 HydrophobicContact CD2-CG 4.27Å; F85-M89 HydrophobicContact CE1-CG 3.87Å; F85-M89 HydrophobicContact CE2-CG 3.81Å; F85-M89 HydrophobicContact CE2-SD 3.92Å; F85-M89 HydrophobicContact CZ-CG 3.59Å; F85-M89 HydrophobicContact CZ-SD 3.89Å; F85-M89 VanDerWaalsContact O-CG 3.29Å; F85-M89 WeakPolarHBondContact O-CG 3.48Å; F85-M89 PolarHBondContact O-N 3.08Å; Q86-M89 PolarHBondContact O-N 2.88Å; E87-M89 VanDerWaalsContact C-N 3.34Å; E87-M89 PolarHBondContact O-N 3.12Å; M89-L92 PolarHBondContact O-N 3.04Å; M89-L92 HydrophobicContact SD-CD1 4.26Å; M89-Q93 WeakPolarHBondContact O-CG 3.34Å; M89-Q93 PolarHBondContact O-N 3.04Å; M89-Q93 VanDerWaalsContact O-N 3.15Å
90R96.6Very high96.1Very high113 Ų11365.6 Ų65.643%0.42634%0.335SS..Hα-helixtrans-65-43176.2-171.2-173.167.873.50.7111.5Q86 E87 Y88 Q93 L94Q86-R90 WeakPolarHBondContact O-CB 3.26Å; Q86-R90 PolarHBondContact O-N 2.84Å; E87-R90 WeakPolarHBondContact O-CB 3.36Å; E87-R90 PolarHBondContact O-N 3.41Å; E87-R90 VanDerWaalsContact O-N 3.1Å; E87-R90 IonicContact OE1-CZ 3.46Å; E87-R90 IonicContact OE1-NE 3.19Å; E87-R90 IonicContact OE1-NH2 3.9Å; E87-R90 PolarHBondContact OE1-NH2 3.01Å; E87-R90 IonicContact OE2-CZ 2.66Å; E87-R90 VanDerWaalsContact OE2-CZ 3.26Å; E87-R90 IonicContact OE2-NE 2.78Å; E87-R90 PolarHBondContact OE2-NE 2.58Å; E87-R90 IonicContact OE2-NH2 3.12Å; E87-R90 PolarHBondContact OE2-NH2 2.87Å; Y88-R90 VanDerWaalsContact C-N 3.3Å; Y88-R90 PolarHBondContact O-N 2.92Å; R90-Q93 PolarHBondContact O-N 3.26Å; R90-L94 WeakPolarHBondContact O-CG 3.48Å; R90-L94 PolarHBondContact O-N 3.25Å
91E95.2Very high96Very high104 Ų10465 Ų6549%0.48634%0.336SS..Hα-helixtrans-63-42.8176.2-70.9-175.7158.600112.2E87 Y88 Q93 L94 L95E87-E91 WeakPolarHBondContact O-CG 3.46Å; E87-E91 PolarHBondContact O-N 2.82Å; Y88-E91 PolarHBondContact O-N 2.78Å; E91-Q93 VanDerWaalsContact C-N 3.33Å; E91-Q93 PolarHBondContact O-N 3.44Å; E91-L94 PolarHBondContact O-N 2.84Å; E91-L95 WeakPolarHBondContact O-CB 3.39Å; E91-L95 PolarHBondContact O-N 3.15Å
92L94.3Very high96Very high31 Ų3163.4 Ų63.416%0.16232%0.319CS..Hα-helixtrans-57.9-45.6175.2-66.7-175.6000111.6W72 Y88 M89 L95 G96 H175W72-L92 HydrophobicContact CH2-CD1 4.37Å; Y88-L92 HydrophobicContact CD1-CD1 4.08Å; Y88-L92 HydrophobicContact CD1-CG 4.45Å; Y88-L92 HydrophobicContact CE1-CD1 3.57Å; Y88-L92 HydrophobicContact CE1-CD2 4.49Å; Y88-L92 HydrophobicContact CE1-CG 4.15Å; Y88-L92 HydrophobicContact CE2-CD2 4.07Å; Y88-L92 HydrophobicContact CE2-CG 4.32Å; Y88-L92 WeakPolarHBondContact O-CG 3.24Å; Y88-L92 PolarHBondContact O-N 3.01Å; M89-L92 PolarHBondContact O-N 3.04Å; M89-L92 HydrophobicContact SD-CD1 4.26Å; L92-L95 PolarHBondContact O-N 2.88Å; L92-G96 PolarHBondContact O-N 3.19Å; L92-H175 HydrophobicContact CD2-CB 3.92Å; L92-H175 WeakPolarHBondContact CD2-CE1 3.45Å; L92-H175 WeakPolarHBondContact CD2-ND1 3.46Å
93Q94.7Very high95.9Very high138 Ų13859.3 Ų59.365%0.64530%0.3SS*.Hα-helixtrans-63.6-44.4178.3-72.3176.45.900112.3M89 R90 E91 L95 G96 K97M89-Q93 WeakPolarHBondContact O-CG 3.34Å; M89-Q93 PolarHBondContact O-N 3.04Å; M89-Q93 VanDerWaalsContact O-N 3.15Å; R90-Q93 PolarHBondContact O-N 3.26Å; E91-Q93 VanDerWaalsContact C-N 3.33Å; E91-Q93 PolarHBondContact O-N 3.44Å; Q93-L95 VanDerWaalsContact C-N 3.33Å; Q93-G96 PolarHBondContact O-N 3.24Å; Q93-K97 WeakPolarHBondContact O-CB 3.18Å; Q93-K97 PolarHBondContact O-N 3.38Å
94L95.5Very high95.8Very high84 Ų8456 Ų5644%0.4428%0.28SS..Hα-helixtrans-65.4-37.8177.2-72.6178.6000112R90 E91 S98R90-L94 WeakPolarHBondContact O-CG 3.48Å; R90-L94 PolarHBondContact O-N 3.25Å; E91-L94 PolarHBondContact O-N 2.84Å; L94-S98 WeakPolarHBondContact O-CB 3.5Å; L94-S98 PolarHBondContact O-N 3.01Å; L94-S98 PolarHBondContact O-OG 2.89Å
95L95.3Very high95.6Very high14 Ų1455.2 Ų55.27%0.07327%0.271CS..Hα-helixtrans-64.9-50.2176.9-173.160000110.7E91 L92 Q93 K97 S98 V99 N119 V120 Y123 H175E91-L95 WeakPolarHBondContact O-CB 3.39Å; E91-L95 PolarHBondContact O-N 3.15Å; L92-L95 PolarHBondContact O-N 2.88Å; Q93-L95 VanDerWaalsContact C-N 3.33Å; L95-K97 VanDerWaalsContact C-N 3.33Å; L95-K97 PolarHBondContact O-N 2.77Å; L95-S98 WeakPolarHBondContact O-CB 3.47Å; L95-S98 PolarHBondContact O-N 3.42Å; L95-S98 VanDerWaalsContact O-N 3.08Å; L95-V99 HydrophobicContact CD1-CG2 4.49Å; L95-V99 WeakPolarHBondContact O-CG2 3.38Å; L95-V99 PolarHBondContact O-N 3.28Å; L95-N119 HydrophobicContact CD1-CB 4.3Å; L95-V120 HydrophobicContact CD1-CB 4.37Å; L95-V120 HydrophobicContact CD1-CG2 3.5Å; L95-Y123 HydrophobicContact CD1-CE2 4.47Å; L95-Y123 HydrophobicContact CD2-CD2 4.11Å; L95-Y123 HydrophobicContact CD2-CE2 3.34Å; L95-Y123 HydrophobicContact CG-CD2 4.45Å; L95-Y123 HydrophobicContact CG-CE2 4.11Å; L95-H175 WeakPolarHBondContact CD2-CE1 3.49Å
96G95.4Very high95.4Very high11 Ų1156.8 Ų56.811%0.11328%0.276CS..Hα-helixtrans-53.9-48.8175.900000112L92 Q93 S98 V99 H100L92-G96 PolarHBondContact O-N 3.19Å; Q93-G96 PolarHBondContact O-N 3.24Å; G96-S98 VanDerWaalsContact C-N 3.32Å; G96-S98 PolarHBondContact O-N 3.39Å; G96-V99 PolarHBondContact O-N 2.96Å; G96-H100 PolarHBondContact O-CD2 2.92Å; G96-H100 VanDerWaalsContact O-CD2 3.24Å; G96-H100 PolarHBondContact O-N 2.9Å
97K95.3Very high95.2Very high145 Ų14552.7 Ų52.763%0.6326%0.258SS*.Hα-helixtrans-59.2-40.7176.4-175.1178.6179.5-178.60112.9Q93 L95 H100 S101Q93-K97 WeakPolarHBondContact O-CB 3.18Å; Q93-K97 PolarHBondContact O-N 3.38Å; L95-K97 VanDerWaalsContact C-N 3.33Å; L95-K97 PolarHBondContact O-N 2.77Å; K97-H100 PolarHBondContact O-N 3.25Å; K97-S101 WeakPolarHBondContact O-CB 3.25Å; K97-S101 PolarHBondContact O-N 3.21Å; K97-S101 PolarHBondContact O-OG 2.78Å
98S96Very high94.9Very high48 Ų4850.9 Ų50.934%0.33625%0.252SS..Hα-helixtrans-68.1-38.4179.3-59.30000111.7L94 L95 G96 S102L94-S98 WeakPolarHBondContact O-CB 3.5Å; L94-S98 PolarHBondContact O-N 3.01Å; L94-S98 PolarHBondContact O-OG 2.89Å; L95-S98 WeakPolarHBondContact O-CB 3.47Å; L95-S98 PolarHBondContact O-N 3.42Å; L95-S98 VanDerWaalsContact O-N 3.08Å; G96-S98 VanDerWaalsContact C-N 3.32Å; G96-S98 PolarHBondContact O-N 3.39Å; S98-S102 WeakPolarHBondContact O-CB 3.22Å; S98-S102 PolarHBondContact O-N 2.97Å; S98-S102 PolarHBondContact O-OG 3.12Å
99V96.2Very high94.7Very high2 Ų256.2 Ų56.21%0.01228%0.276CS..Hα-helixtrans-66.6-47.1174.1175.70000110.7L95 G96 S101 S102 V103 V120 Y123 L127 T173L95-V99 HydrophobicContact CD1-CG2 4.49Å; L95-V99 WeakPolarHBondContact O-CG2 3.38Å; L95-V99 PolarHBondContact O-N 3.28Å; G96-V99 PolarHBondContact O-N 2.96Å; V99-S101 VanDerWaalsContact C-N 3.34Å; V99-S101 PolarHBondContact O-N 3.26Å; V99-S102 WeakPolarHBondContact O-CA 3.32Å; V99-S102 WeakPolarHBondContact O-CB 2.98Å; V99-S102 PolarHBondContact O-N 3.49Å; V99-V103 HydrophobicContact CG1-CG2 4.42Å; V99-V103 WeakPolarHBondContact O-CG2 3.43Å; V99-V103 PolarHBondContact O-N 3.31Å; V99-V120 HydrophobicContact CG2-CG1 4.09Å; V99-Y123 HydrophobicContact CG2-CD2 4.06Å; V99-Y123 HydrophobicContact CG2-CG 3.89Å; V99-L127 HydrophobicContact CG1-CD1 4.26Å; V99-T173 HydrophobicContact CB-CG2 3.64Å; V99-T173 HydrophobicContact CG1-CG2 3.7Å; V99-T173 HydrophobicContact CG2-CG2 3.72Å
100H95.5Very high94.4Very high39 Ų3956.2 Ų56.218%0.18129%0.288CS..Hα-helixtrans-56.4-47.4175.3-84.9-118.2000111.8G96 K97 S102 V103 E104 E140 D155 W171G96-H100 PolarHBondContact O-CD2 2.92Å; G96-H100 VanDerWaalsContact O-CD2 3.24Å; G96-H100 PolarHBondContact O-N 2.9Å; K97-H100 PolarHBondContact O-N 3.25Å; H100-S102 PolarHBondContact O-N 3.25Å; H100-V103 PolarHBondContact O-N 2.94Å; H100-V103 VanDerWaalsContact O-N 3.15Å; H100-E104 WeakPolarHBondContact O-CB 3.26Å; H100-E104 PolarHBondContact O-N 3.1Å; H100-E140 IonicContact ND1-OE1 2.61Å; H100-D155 IonicContact CE1-OD1 3Å; H100-D155 PolarHBondContact CE1-OD1 3.48Å; H100-D155 IonicContact CE1-OD2 3.97Å; H100-D155 PolarHBondContact CE1-OD2 3.2Å; H100-D155 IonicContact ND1-OD1 3.92Å; H100-D155 PolarHBondContact ND1-OD1 3.3Å; H100-D155 IonicContact ND1-OD2 3.98Å; H100-W171 PolarHBondContact CE1-O 3.02Å; H100-W171 VanDerWaalsContact CE1-O 3.32Å; H100-W171 PolarHBondContact NE2-O 3.49Å
101S94.8Very high94.2Very high58 Ų5858 Ų5841%0.40630%0.299SS..Hα-helixtrans-60.2-34.2177.3-54.90000112K97 V99 A105K97-S101 WeakPolarHBondContact O-CB 3.25Å; K97-S101 PolarHBondContact O-N 3.21Å; K97-S101 PolarHBondContact O-OG 2.78Å; V99-S101 VanDerWaalsContact C-N 3.34Å; V99-S101 PolarHBondContact O-N 3.26Å; S101-A105 WeakPolarHBondContact O-CB 3.05Å; S101-A105 PolarHBondContact O-N 2.99Å
102S95.5Very high94.2Very high4 Ų455.3 Ų55.33%0.02829%0.286CS..Hα-helixtrans-73.2-39.2177.5-58.20000112.1S98 V99 H100 A105 R106 F112 L116S98-S102 WeakPolarHBondContact O-CB 3.22Å; S98-S102 PolarHBondContact O-N 2.97Å; S98-S102 PolarHBondContact O-OG 3.12Å; V99-S102 WeakPolarHBondContact O-CA 3.32Å; V99-S102 WeakPolarHBondContact O-CB 2.98Å; V99-S102 PolarHBondContact O-N 3.49Å; H100-S102 PolarHBondContact O-N 3.25Å; S102-A105 PolarHBondContact O-N 3.43Å; S102-R106 WeakPolarHBondContact O-CB 3.16Å; S102-R106 PolarHBondContact O-N 2.82Å; S102-F112 WeakPolarHBondContact O-CD1 3.35Å; S102-L116 VanDerWaalsContact OG-CD2 3.25Å; S102-L116 WeakPolarHBondContact OG-CD2 3.4Å
103V95.3Very high94.1Very high3 Ų356.7 Ų56.72%0.01830%0.297CS..Hα-helixtrans-64-46.9173172.70000110.5V99 H100 A105 R106 L107 L127 L131 W171V99-V103 HydrophobicContact CG1-CG2 4.42Å; V99-V103 WeakPolarHBondContact O-CG2 3.43Å; V99-V103 PolarHBondContact O-N 3.31Å; H100-V103 PolarHBondContact O-N 2.94Å; H100-V103 VanDerWaalsContact O-N 3.15Å; V103-A105 VanDerWaalsContact C-N 3.33Å; V103-A105 PolarHBondContact O-N 3.2Å; V103-R106 PolarHBondContact O-N 3.28Å; V103-R106 VanDerWaalsContact O-N 3.12Å; V103-L107 HydrophobicContact CG1-CD1 3.84Å; V103-L107 HydrophobicContact CG1-CG 4.26Å; V103-L107 WeakPolarHBondContact O-CB 3.34Å; V103-L107 WeakPolarHBondContact O-CG 3.21Å; V103-L107 PolarHBondContact O-N 3.43Å; V103-L127 HydrophobicContact CG2-CD1 3.51Å; V103-L131 HydrophobicContact CG1-CD2 4.19Å; V103-W171 HydrophobicContact CG1-CD2 3.88Å; V103-W171 HydrophobicContact CG1-CE3 4.41Å; V103-W171 HydrophobicContact CG1-CG 4.07Å; V103-W171 HydrophobicContact CG1-CZ2 4.3Å
104E94Very high93.9Very high73 Ų7355.5 Ų55.534%0.34130%0.304SS..Hα-helixtrans-55.1-49.3174.6-175.1-172.3173.300110.8H100 R106 L107 T108 V139H100-E104 WeakPolarHBondContact O-CB 3.26Å; H100-E104 PolarHBondContact O-N 3.1Å; E104-R106 VanDerWaalsContact C-N 3.35Å; E104-R106 PolarHBondContact O-N 2.89Å; E104-L107 PolarHBondContact O-N 3.34Å; E104-T108 HydrophobicContact CG-CG2 4.38Å; E104-T108 WeakPolarHBondContact O-CB 3.35Å; E104-T108 WeakPolarHBondContact O-CG2 3.48Å; E104-T108 PolarHBondContact O-N 2.96Å; E104-T108 PolarHBondContact O-OG1 3.34Å; E104-V139 HydrophobicContact CG-CB 4Å; E104-V139 HydrophobicContact CG-CG1 4.24Å; E104-V139 HydrophobicContact CG-CG2 3.85Å
105A93.3Very high93.7Very high13 Ų1358.5 Ų58.511%0.10732%0.32CS..Hα-helixtrans-61.1-41.6176.400000112.2S101 S102 V103 K109 K111 P113S101-A105 WeakPolarHBondContact O-CB 3.05Å; S101-A105 PolarHBondContact O-N 2.99Å; S102-A105 PolarHBondContact O-N 3.43Å; V103-A105 VanDerWaalsContact C-N 3.33Å; V103-A105 PolarHBondContact O-N 3.2Å; A105-K109 WeakPolarHBondContact O-CA 3.17Å; A105-K109 WeakPolarHBondContact O-CB 3.36Å; A105-K109 PolarHBondContact O-N 2.97Å; A105-K111 CarbonylContact C-O 3.52Å; A105-P113 HydrophobicContact CB-CG 4.21Å
106R93.9Very high93.5Very high40 Ų4059.7 Ų59.715%0.15133%0.326CS..Hα-helixtrans-67.5-36.7179.217858.5-17580.40.5112.8S102 V103 E104 G110 K111 F112 L131 N132S102-R106 WeakPolarHBondContact O-CB 3.16Å; S102-R106 PolarHBondContact O-N 2.82Å; V103-R106 PolarHBondContact O-N 3.28Å; V103-R106 VanDerWaalsContact O-N 3.12Å; E104-R106 VanDerWaalsContact C-N 3.35Å; E104-R106 PolarHBondContact O-N 2.89Å; R106-G110 PolarHBondContact NH1-O 3.04Å; R106-G110 CarbonylContact O-C 3.59Å; R106-G110 WeakPolarHBondContact O-CA 3.25Å; R106-G110 PolarHBondContact O-N 3.05Å; R106-G110 VanDerWaalsContact O-N 3.17Å; R106-K111 WeakPolarHBondContact CA-O 3.45Å; R106-F112 HydrophobicContact CB-CD1 3.62Å; R106-F112 HydrophobicContact CB-CE1 3.56Å; R106-F112 HydrophobicContact CB-CG 4.21Å; R106-F112 HydrophobicContact CB-CZ 4.12Å; R106-F112 HydrophobicContact CG-CD1 4.16Å; R106-F112 HydrophobicContact CG-CD2 4.41Å; R106-F112 HydrophobicContact CG-CE1 3.87Å; R106-F112 HydrophobicContact CG-CE2 4.15Å; R106-F112 HydrophobicContact CG-CG 4.43Å; R106-F112 HydrophobicContact CG-CZ 3.88Å; R106-L131 HydrophobicContact CB-CD1 4.33Å; R106-L131 HydrophobicContact CG-CB 4.17Å; R106-L131 HydrophobicContact CG-CD1 3.78Å; R106-L131 HydrophobicContact CG-CG 4.48Å; R106-N132 PolarHBondContact NH2-OD1 3.02Å
107L93Very high93.4Very high13 Ų1362.6 Ų62.67%0.06834%0.343CS..Hα-helixtrans-69.1-52.9174.9-74.6175.3000110.3V103 E104 L131 L134 Y136 V139 V158 W171V103-L107 HydrophobicContact CG1-CD1 3.84Å; V103-L107 HydrophobicContact CG1-CG 4.26Å; V103-L107 WeakPolarHBondContact O-CB 3.34Å; V103-L107 WeakPolarHBondContact O-CG 3.21Å; V103-L107 PolarHBondContact O-N 3.43Å; E104-L107 PolarHBondContact O-N 3.34Å; L107-L131 HydrophobicContact CD2-CD2 3.85Å; L107-L131 HydrophobicContact CG-CD2 4.16Å; L107-L134 HydrophobicContact CD2-CB 4.31Å; L107-Y136 HydrophobicContact CB-CG 4.38Å; L107-Y136 WeakPolarHBondContact O-CD1 3.49Å; L107-Y136 WeakPolarHBondContact O-CE1 3.5Å; L107-V139 HydrophobicContact CD1-CG1 4.35Å; L107-V158 HydrophobicContact CD1-CG1 4.39Å; L107-V158 HydrophobicContact CD2-CG1 4.2Å; L107-W171 HydrophobicContact CD1-CZ2 4.23Å
108T91.5Very high93.1Very high42 Ų4263.4 Ų63.426%0.25835%0.349SS..Hα-helixtrans-77.4-35.5-172.756.90000114.6E104 Y136 V139E104-T108 HydrophobicContact CG-CG2 4.38Å; E104-T108 WeakPolarHBondContact O-CB 3.35Å; E104-T108 WeakPolarHBondContact O-CG2 3.48Å; E104-T108 PolarHBondContact O-N 2.96Å; E104-T108 PolarHBondContact O-OG1 3.34Å; T108-Y136 HydrophobicContact CG2-CD2 4.13Å; T108-Y136 HydrophobicContact CG2-CE2 3.89Å; T108-V139 HydrophobicContact CG2-CG1 4.07Å; T108-V139 HydrophobicContact CG2-CG2 3.97Å
109K91.2Very high92.8Very high159 Ų15965.3 Ų65.369%0.69136%0.356SS*.Hα-helixtrans-109.3-2.2-175.1-53.7175-177.6173.50113.2A105 K111A105-K109 WeakPolarHBondContact O-CA 3.17Å; A105-K109 WeakPolarHBondContact O-CB 3.36Å; A105-K109 PolarHBondContact O-N 2.97Å; K109-K111 PolarHBondContact O-N 3.05Å
110G90.5Very high92.8Very high46 Ų4665.3 Ų65.347%0.47436%0.356SS..SBendtrans73.7-1.1-179.200000115.3R106R106-G110 PolarHBondContact NH1-O 3.04Å; R106-G110 CarbonylContact O-C 3.59Å; R106-G110 WeakPolarHBondContact O-CA 3.25Å; R106-G110 PolarHBondContact O-N 3.05Å; R106-G110 VanDerWaalsContact O-N 3.17Å
111K92.6Very high92.8Very high150 Ų15066.1 Ų66.165%0.65237%0.365SS*.SBendtrans-145.6150.2-179.762.9-177.6178.6-179.10112.1A105 R106 K109A105-K111 CarbonylContact C-O 3.52Å; R106-K111 WeakPolarHBondContact CA-O 3.45Å; K109-K111 PolarHBondContact O-N 3.05Å
112F94.2Very high92.8Very high49 Ų4967 Ų6722%0.21536%0.362CS..  trans-68.3157.3169.2-69.8-64.1000111.1S102 R106 L116 C124 L131S102-F112 WeakPolarHBondContact O-CD1 3.35Å; R106-F112 HydrophobicContact CB-CD1 3.62Å; R106-F112 HydrophobicContact CB-CE1 3.56Å; R106-F112 HydrophobicContact CB-CG 4.21Å; R106-F112 HydrophobicContact CB-CZ 4.12Å; R106-F112 HydrophobicContact CG-CD1 4.16Å; R106-F112 HydrophobicContact CG-CD2 4.41Å; R106-F112 HydrophobicContact CG-CE1 3.87Å; R106-F112 HydrophobicContact CG-CE2 4.15Å; R106-F112 HydrophobicContact CG-CG 4.43Å; R106-F112 HydrophobicContact CG-CZ 3.88Å; F112-L116 HydrophobicContact CB-CD1 4.13Å; F112-C124 HydrophobicContact CD1-CB 4.02Å; F112-C124 HydrophobicContact CD2-CB 4.22Å; F112-C124 HydrophobicContact CE1-CB 3.73Å; F112-C124 HydrophobicContact CE2-CB 3.93Å; F112-C124 HydrophobicContact CG-CB 4.26Å; F112-C124 HydrophobicContact CZ-CB 3.66Å; F112-C124 WeakPolarHBondContact CZ-O 3.35Å; F112-L131 HydrophobicContact CE1-CD1 4.01Å; F112-L131 HydrophobicContact CZ-CD1 3.55Å
113P93.7Very high92.9Very high60 Ų6067.2 Ų67.239%0.3936%0.362SS..  trans-55.5146168.5-23.134.2000111.8A105 L116A105-P113 HydrophobicContact CB-CG 4.21Å; P113-L116 HydrophobicContact CB-CD2 3.88Å; P113-L116 HydrophobicContact CB-CG 4.19Å; P113-L116 HydrophobicContact CG-CD2 3.9Å
114S90Very high93Very high113 Ų11367.2 Ų67.279%0.7936%0.362SS*.SBendtrans-74.4-26.4-175.456.20000114.2
115N90.8Very high93Very high146 Ų14668.2 Ų68.278%0.78137%0.367SS*.SBendtrans-118.758.8-173.3-60.2-8.3000110.3
116L92.1Very high93.2Very high40 Ų4067.7 Ų67.721%0.20936%0.362CS..  trans-76137175.1-69.9176.3000110.4S102 F112 P113 V120 C124S102-L116 VanDerWaalsContact OG-CD2 3.25Å; S102-L116 WeakPolarHBondContact OG-CD2 3.4Å; F112-L116 HydrophobicContact CB-CD1 4.13Å; P113-L116 HydrophobicContact CB-CD2 3.88Å; P113-L116 HydrophobicContact CB-CG 4.19Å; P113-L116 HydrophobicContact CG-CD2 3.9Å; L116-V120 HydrophobicContact CD1-CG1 4.39Å; L116-V120 HydrophobicContact CD2-CG1 3.92Å; L116-C124 HydrophobicContact CD1-CB 4.21Å
117P92.6Very high93.3Very high71 Ų7165.9 Ų65.946%0.46136%0.356SS..  trans-52144.8164.2-26.736.4000111N119 V120 S121P117-N119 VanDerWaalsContact C-N 3.27Å; P117-N119 WeakPolarHBondContact CB-OD1 3.29Å; P117-N119 PolarHBondContact O-N 3.4Å; P117-V120 HydrophobicContact CB-CB 4.48Å; P117-V120 HydrophobicContact CB-CG2 4.11Å; P117-V120 HydrophobicContact CG-CG2 4.22Å; P117-V120 WeakPolarHBondContact O-CB 3.26Å; P117-V120 PolarHBondContact O-N 3.11Å; P117-S121 PolarHBondContact O-N 2.95Å
118E89.2Confident93.3Very high163 Ų16370.7 Ų70.776%0.76238%0.376SS*.Hα-helixtrans-55.1-44-175.5-177.4175.7-172.800112.3V120 S121 K122E118-V120 VanDerWaalsContact C-N 3.29Å; E118-V120 PolarHBondContact O-N 3.37Å; E118-S121 WeakPolarHBondContact O-CB 3.32Å; E118-S121 PolarHBondContact O-N 3.42Å; E118-S121 VanDerWaalsContact O-N 3.16Å; E118-K122 PolarHBondContact O-N 3.48Å
119N88.7Confident93.2Very high88 Ų8876.5 Ų76.547%0.47140%0.395SS..Hα-helixtrans-60.7-34.8177.263.2-16.3000112.7L95 P117 Y123L95-N119 HydrophobicContact CD1-CB 4.3Å; P117-N119 VanDerWaalsContact C-N 3.27Å; P117-N119 WeakPolarHBondContact CB-OD1 3.29Å; P117-N119 PolarHBondContact O-N 3.4Å; N119-Y123 WeakPolarHBondContact O-CD2 3.41Å
120V95.9Very high93.4Very high2 Ų269.6 Ų69.61%0.01237%0.365CS..Hα-helixtrans-75.3-38.5175.11800000111.3L95 V99 L116 P117 E118 K122 Y123 C124L95-V120 HydrophobicContact CD1-CB 4.37Å; L95-V120 HydrophobicContact CD1-CG2 3.5Å; V99-V120 HydrophobicContact CG2-CG1 4.09Å; L116-V120 HydrophobicContact CD1-CG1 4.39Å; L116-V120 HydrophobicContact CD2-CG1 3.92Å; P117-V120 HydrophobicContact CB-CB 4.48Å; P117-V120 HydrophobicContact CB-CG2 4.11Å; P117-V120 HydrophobicContact CG-CG2 4.22Å; P117-V120 WeakPolarHBondContact O-CB 3.26Å; P117-V120 PolarHBondContact O-N 3.11Å; E118-V120 VanDerWaalsContact C-N 3.29Å; E118-V120 PolarHBondContact O-N 3.37Å; V120-K122 PolarHBondContact O-N 2.87Å; V120-Y123 PolarHBondContact O-N 3.17Å; V120-C124 PolarHBondContact O-N 3.42Å; V120-C124 VanDerWaalsContact O-N 3.07Å; V120-C124 PolarHBondContact O-SG 3.4Å; V120-C124 VanDerWaalsContact O-SG 3.32Å
121S96.1Very high93.5Very high55 Ų5567.4 Ų67.439%0.38534%0.342SS..Hα-helixtrans-58.8-36.4-177.2-172.40000112P117 E118 C124 E125P117-S121 PolarHBondContact O-N 2.95Å; E118-S121 WeakPolarHBondContact O-CB 3.32Å; E118-S121 PolarHBondContact O-N 3.42Å; E118-S121 VanDerWaalsContact O-N 3.16Å; S121-C124 WeakPolarHBondContact O-CB 3.4Å; S121-C124 PolarHBondContact O-N 3.46Å; S121-E125 WeakPolarHBondContact O-CB 3.3Å; S121-E125 PolarHBondContact O-N 3.33Å
122K95.9Very high93.4Very high77 Ų7763.3 Ų63.334%0.33533%0.328SS..Hα-helixtrans-66.9-40.5177.6-70.5-67.8173.5-169.60113.7E118 V120 C124 E125 S126 G221 G223E118-K122 PolarHBondContact O-N 3.48Å; V120-K122 PolarHBondContact O-N 2.87Å; K122-C124 VanDerWaalsContact C-N 3.3Å; K122-C124 PolarHBondContact O-N 3.16Å; K122-E125 WeakPolarHBondContact CD-OE2 3.24Å; K122-E125 IonicContact NZ-OE2 3.07Å; K122-E125 PolarHBondContact NZ-OE2 2.96Å; K122-E125 WeakPolarHBondContact O-CB 3.47Å; K122-E125 PolarHBondContact O-N 3.33Å; K122-S126 PolarHBondContact O-N 3.09Å; K122-G221 WeakPolarHBondContact CB-O 3.38Å; K122-G223 WeakPolarHBondContact O-CA 3.13Å
123Y97Very high93.1Very high9 Ų964.5 Ų64.54%0.03534%0.336CS..Hα-helixtrans-63.8-37.5170.8-69.2-85.5000112L95 V99 N119 V120 S126 L127 T173 V174 H175 S219 Y220L95-Y123 HydrophobicContact CD1-CE2 4.47Å; L95-Y123 HydrophobicContact CD2-CD2 4.11Å; L95-Y123 HydrophobicContact CD2-CE2 3.34Å; L95-Y123 HydrophobicContact CG-CD2 4.45Å; L95-Y123 HydrophobicContact CG-CE2 4.11Å; V99-Y123 HydrophobicContact CG2-CD2 4.06Å; V99-Y123 HydrophobicContact CG2-CG 3.89Å; N119-Y123 WeakPolarHBondContact O-CD2 3.41Å; V120-Y123 PolarHBondContact O-N 3.17Å; Y123-S126 VanDerWaalsContact O-CB 3.31Å; Y123-S126 WeakPolarHBondContact O-CB 3.49Å; Y123-S126 PolarHBondContact O-N 2.86Å; Y123-L127 WeakPolarHBondContact O-CG 3.47Å; Y123-L127 PolarHBondContact O-N 3.36Å; Y123-T173 HydrophobicContact CD1-CG2 3.91Å; Y123-T173 HydrophobicContact CE1-CG2 4.13Å; Y123-T173 HydrophobicContact CG-CG2 4.34Å; Y123-V174 PolarHBondContact OH-O 3.02Å; Y123-H175 WeakPolarHBondContact OH-CA 3.31Å; Y123-H175 VanDerWaalsContact OH-CG 3.31Å; Y123-H175 PolarHBondContact OH-ND1 2.96Å; Y123-S219 WeakPolarHBondContact CD1-O 3.48Å; Y123-S219 WeakPolarHBondContact CD1-OG 3.45Å; Y123-S219 WeakPolarHBondContact CE1-O 3.35Å; Y123-Y220 VanDerWaalsContact CD1-C 3.49Å
124C96.1Very high93Very high3 Ų362.5 Ų62.52%0.0232%0.322CS..Hα-helixtrans-67.4-37.4176.7-640000112.2F112 L116 V120 S121 K122 L127 K128F112-C124 HydrophobicContact CD1-CB 4.02Å; F112-C124 HydrophobicContact CD2-CB 4.22Å; F112-C124 HydrophobicContact CE1-CB 3.73Å; F112-C124 HydrophobicContact CE2-CB 3.93Å; F112-C124 HydrophobicContact CG-CB 4.26Å; F112-C124 HydrophobicContact CZ-CB 3.66Å; F112-C124 WeakPolarHBondContact CZ-O 3.35Å; L116-C124 HydrophobicContact CD1-CB 4.21Å; V120-C124 PolarHBondContact O-N 3.42Å; V120-C124 VanDerWaalsContact O-N 3.07Å; V120-C124 PolarHBondContact O-SG 3.4Å; V120-C124 VanDerWaalsContact O-SG 3.32Å; S121-C124 WeakPolarHBondContact O-CB 3.4Å; S121-C124 PolarHBondContact O-N 3.46Å; K122-C124 VanDerWaalsContact C-N 3.3Å; K122-C124 PolarHBondContact O-N 3.16Å; C124-L127 PolarHBondContact O-N 3Å; C124-K128 PolarHBondContact O-N 3.16Å
125E95.7Very high92.8Very high93 Ų9362.8 Ų62.844%0.43531%0.309SS..Hα-helixtrans-59.8-47.5171.9-177.3175.9-169.100111S121 K122 L127 K128S121-E125 WeakPolarHBondContact O-CB 3.3Å; S121-E125 PolarHBondContact O-N 3.33Å; K122-E125 WeakPolarHBondContact CD-OE2 3.24Å; K122-E125 IonicContact NZ-OE2 3.07Å; K122-E125 PolarHBondContact NZ-OE2 2.96Å; K122-E125 WeakPolarHBondContact O-CB 3.47Å; K122-E125 PolarHBondContact O-N 3.33Å; E125-L127 PolarHBondContact O-N 2.89Å; E125-K128 VanDerWaalsContact O-CB 3.28Å; E125-K128 WeakPolarHBondContact O-CB 3.5Å; E125-K128 PolarHBondContact O-N 2.94Å; E125-K128 VanDerWaalsContact O-N 3.11Å
126S96.1Very high92.3Very high2 Ų261.1 Ų61.11%0.01429%0.293CS..Hα-helixtrans-53.1-36.2175.31790000112.8K122 Y123 Y220 Y224 A226K122-S126 PolarHBondContact O-N 3.09Å; Y123-S126 VanDerWaalsContact O-CB 3.31Å; Y123-S126 WeakPolarHBondContact O-CB 3.49Å; Y123-S126 PolarHBondContact O-N 2.86Å; S126-Y220 PolarHBondContact OG-N 3.37Å; S126-Y220 VanDerWaalsContact OG-N 3.09Å; S126-Y224 WeakPolarHBondContact CA-O 3.46Å; S126-Y224 WeakPolarHBondContact CB-O 3.31Å; S126-Y224 PolarHBondContact OG-O 2.58Å; S126-A226 VanDerWaalsContact O-CB 3.29Å; S126-A226 WeakPolarHBondContact O-CB 3.43Å; S126-A226 PolarHBondContact O-N 2.71Å; S126-A226 WeakPolarHBondContact OG-CA 3.41Å; S126-A226 PolarHBondContact OG-N 3.09Å
127L96.7Very high91.7Very high2 Ų262.4 Ų62.41%0.0131%0.305CS..Hα-helixtrans-87.8-11.9-177.2-68.6167.7000114.8V99 V103 Y123 C124 E125 Y129 I130 L131 W171 V217 A226V99-L127 HydrophobicContact CG1-CD1 4.26Å; V103-L127 HydrophobicContact CG2-CD1 3.51Å; Y123-L127 WeakPolarHBondContact O-CG 3.47Å; Y123-L127 PolarHBondContact O-N 3.36Å; C124-L127 PolarHBondContact O-N 3Å; E125-L127 PolarHBondContact O-N 2.89Å; L127-Y129 VanDerWaalsContact C-N 3.32Å; L127-Y129 PolarHBondContact O-N 2.96Å; L127-I130 PolarHBondContact O-N 3.26Å; L127-I130 VanDerWaalsContact O-N 3.13Å; L127-L131 HydrophobicContact CB-CD1 3.72Å; L127-L131 HydrophobicContact CB-CG 4.28Å; L127-L131 PolarHBondContact O-N 3.27Å; L127-W171 HydrophobicContact CD2-CE3 4.08Å; L127-W171 HydrophobicContact CD2-CZ3 4.31Å; L127-V217 HydrophobicContact CD2-CG1 3.42Å; L127-V217 VanDerWaalsContact CD2-CG1 3.42Å; L127-A226 HydrophobicContact CD2-CB 3.89Å
128K92.1Very high91.1Very high115 Ų11560 Ų6050%0.529%0.292SS..Hα-helixtrans-52.9-45.9-167.5-175178.6179.6-178.70113.2C124 E125 N132C124-K128 PolarHBondContact O-N 3.16Å; E125-K128 VanDerWaalsContact O-CB 3.28Å; E125-K128 WeakPolarHBondContact O-CB 3.5Å; E125-K128 PolarHBondContact O-N 2.94Å; E125-K128 VanDerWaalsContact O-N 3.11Å; K128-N132 PolarHBondContact O-N 3.25Å; K128-N132 PolarHBondContact O-ND2 2.8Å; K128-N132 PolarHBondContact O-OD1 2.92Å
129Y90.9Very high91Very high164 Ų16453.7 Ų53.764%0.64326%0.264SS*.Hα-helixtrans-68.8-39.5-177-62.5-71.5000112.8L127L127-Y129 VanDerWaalsContact C-N 3.32Å; L127-Y129 PolarHBondContact O-N 2.96Å
130I93.7Very high90.9Very high14 Ų1451.7 Ų51.77%0.07225%0.252CS..Hα-helixtrans-66.9-46.2178.9-63.7175.7000109.9L127 N132 D133 L134 W171 V217 A226 R228L127-I130 PolarHBondContact O-N 3.26Å; L127-I130 VanDerWaalsContact O-N 3.13Å; I130-N132 PolarHBondContact O-N 3.07Å; I130-D133 PolarHBondContact O-N 3.11Å; I130-L134 HydrophobicContact CG2-CD1 4.11Å; I130-L134 WeakPolarHBondContact O-CG 3.44Å; I130-W171 HydrophobicContact CG2-CH2 4.44Å; I130-W171 HydrophobicContact CG2-CZ3 4.2Å; I130-V217 HydrophobicContact CD1-CG1 3.58Å; I130-V217 HydrophobicContact CG2-CG2 4.49Å; I130-A226 HydrophobicContact CD1-CB 3.73Å; I130-R228 HydrophobicContact CD1-CB 3.95Å
131L93.9Very high90.7Very high0 Ų053.3 Ų53.30%026%0.262CS..Hα-helixtrans-69.5-19.3-176.2-67.5169.9000113.7V103 R106 L107 F112 L127 D133 L134 W171V103-L131 HydrophobicContact CG1-CD2 4.19Å; R106-L131 HydrophobicContact CB-CD1 4.33Å; R106-L131 HydrophobicContact CG-CB 4.17Å; R106-L131 HydrophobicContact CG-CD1 3.78Å; R106-L131 HydrophobicContact CG-CG 4.48Å; L107-L131 HydrophobicContact CD2-CD2 3.85Å; L107-L131 HydrophobicContact CG-CD2 4.16Å; F112-L131 HydrophobicContact CE1-CD1 4.01Å; F112-L131 HydrophobicContact CZ-CD1 3.55Å; L127-L131 HydrophobicContact CB-CD1 3.72Å; L127-L131 HydrophobicContact CB-CG 4.28Å; L127-L131 PolarHBondContact O-N 3.27Å; L131-D133 PolarHBondContact O-N 3.24Å; L131-L134 HydrophobicContact CD2-CD1 4.35Å; L131-W171 HydrophobicContact CD2-CH2 3.75Å; L131-W171 HydrophobicContact CD2-CZ2 4.3Å; L131-W171 HydrophobicContact CD2-CZ3 4.02Å
132N90.4Very high90.5Very high64 Ų6456 Ų5634%0.34227%0.272SS..THydrogen-bonded Turntrans-66.6-26.5178.3-75.5-18.4000113R106 K128 I130 K161R106-N132 PolarHBondContact NH2-OD1 3.02Å; K128-N132 PolarHBondContact O-N 3.25Å; K128-N132 PolarHBondContact O-ND2 2.8Å; K128-N132 PolarHBondContact O-OD1 2.92Å; I130-N132 PolarHBondContact O-N 3.07Å; N132-K161 WeakPolarHBondContact O-CE 3.42Å; N132-K161 PolarHBondContact O-NZ 3.35Å
133D87.5Confident90.2Very high73 Ų7352.6 Ų52.639%0.3926%0.258SS..THydrogen-bonded Turntrans-103.610.7-173.8-64-34.4000114.1I130 L131 K161I130-D133 PolarHBondContact O-N 3.11Å; L131-D133 PolarHBondContact O-N 3.24Å; D133-K161 PolarHBondContact O-N 2.91Å; D133-K161 IonicContact OD1-NZ 3.69Å; D133-K161 PolarHBondContact OD1-NZ 3.08Å
134L91.9Very high89.9Confident19 Ų1952.5 Ų52.510%0.09926%0.258CS..EExtended strand (participates in β ladder)trans-109.8137.7-177-59.6178.1000111.8L107 I130 L131 V158 F159 L160 W171 M215L107-L134 HydrophobicContact CD2-CB 4.31Å; I130-L134 HydrophobicContact CG2-CD1 4.11Å; I130-L134 WeakPolarHBondContact O-CG 3.44Å; L131-L134 HydrophobicContact CD2-CD1 4.35Å; L134-V158 HydrophobicContact CB-CB 4.4Å; L134-V158 HydrophobicContact CD1-CG1 4.43Å; L134-V158 HydrophobicContact CD1-CG2 4.23Å; L134-V158 HydrophobicContact CD2-CB 4.29Å; L134-V158 HydrophobicContact CD2-CG2 3.8Å; L134-V158 HydrophobicContact CG-CG2 4.48Å; L134-F159 WeakPolarHBondContact CA-O 3.08Å; L134-L160 HydrophobicContact CD2-CD2 3.72Å; L134-L160 HydrophobicContact CD2-CG 4.41Å; L134-W171 HydrophobicContact CD1-CH2 3.62Å; L134-W171 HydrophobicContact CD1-CZ2 4.29Å; L134-M215 HydrophobicContact CD1-CE 4.07Å; L134-M215 HydrophobicContact CD2-CE 4.33Å
135K86.1Confident89.6Confident118 Ų11852.4 Ų52.451%0.51326%0.257SS..EExtended strand (participates in β ladder)trans-106.5130.9161.3-65.9179.9-178.8174.10107.2V158 F159K135-V158 CarbonylContact O-C 3.58Å; K135-V158 WeakPolarHBondContact O-CA 3.34Å; K135-F159 HydrophobicContact CB-CB 4.43Å; K135-F159 PolarHBondContact N-O 3.22Å; K135-F159 PolarHBondContact O-N 3.12Å
136Y80.1Confident89Confident111 Ų11148.4 Ų48.444%0.43524%0.239SC..EExtended strand (participates in β ladder)trans-85156.7-179.782.4-80.3000111.4L107 T108L107-Y136 HydrophobicContact CB-CG 4.38Å; L107-Y136 WeakPolarHBondContact O-CD1 3.49Å; L107-Y136 WeakPolarHBondContact O-CE1 3.5Å; T108-Y136 HydrophobicContact CG2-CD2 4.13Å; T108-Y136 HydrophobicContact CG2-CE2 3.89Å
137S78.2Confident88.5Confident67 Ų6750.7 Ų50.747%0.46925%0.249SC..EExtended strand (participates in β ladder)trans-128.4-36171.9-177.60000113I157S137-I157 PolarHBondContact N-O 3.36Å
138A80.9Confident88.2Confident22 Ų2252.2 Ų52.218%0.18226%0.257CS..EExtended strand (participates in β ladder)trans-149.8147.7177.500000109.2S156 I157A138-S156 CarbonylContact O-C 3.41Å; A138-S156 WeakPolarHBondContact O-CA 3.12Å; A138-S156 WeakPolarHBondContact O-CB 3.46Å; A138-I157 HydrophobicContact CB-CB 4.36Å; A138-I157 PolarHBondContact N-O 2.87Å; A138-I157 PolarHBondContact O-N 2.92Å
139V87.2Confident88.1Confident30 Ų3047.8 Ų47.818%0.18224%0.239CC..EExtended strand (participates in β ladder)trans-133.2147.6175.9-66.20000109.4E104 L107 T108 T141 D155E104-V139 HydrophobicContact CG-CB 4Å; E104-V139 HydrophobicContact CG-CG1 4.24Å; E104-V139 HydrophobicContact CG-CG2 3.85Å; L107-V139 HydrophobicContact CD1-CG1 4.35Å; T108-V139 HydrophobicContact CG2-CG1 4.07Å; T108-V139 HydrophobicContact CG2-CG2 3.97Å; V139-T141 VanDerWaalsContact C-N 3.25Å; V139-T141 PolarHBondContact O-N 2.88Å; V139-T141 VanDerWaalsContact O-N 3.1Å; V139-T141 PolarHBondContact O-OG1 2.97Å; V139-D155 CarbonylContact C-O 3.58Å; V139-D155 VanDerWaalsContact CA-O 3.26Å; V139-D155 WeakPolarHBondContact CA-O 3.39Å
140E87.7Confident88.3Confident45 Ų4540 Ų4021%0.2121%0.208CC..EExtended strand (participates in β ladder)trans50.942.3168.1-75.3-67.4153.600113.8H100 R153 F154 D155H100-E140 IonicContact ND1-OE1 2.61Å; E140-R153 PolarHBondContact O-NE 2.99Å; E140-R153 PolarHBondContact O-NH2 3.07Å; E140-R153 IonicContact OE2-CZ 2.7Å; E140-R153 IonicContact OE2-NE 3.15Å; E140-R153 PolarHBondContact OE2-NE 3.32Å; E140-R153 VanDerWaalsContact OE2-NE 3.11Å; E140-R153 IonicContact OE2-NH1 3.82Å; E140-R153 IonicContact OE2-NH2 3.01Å; E140-R153 PolarHBondContact OE2-NH2 3.46Å; E140-F154 CarbonylContact C-O 3.59Å; E140-F154 WeakPolarHBondContact CA-O 3.41Å; E140-F154 PolarHBondContact N-O 3Å; E140-D155 PolarHBondContact N-O 3.41Å
141T90.1Very high88.3Confident36 Ų3643.7 Ų43.722%0.22122%0.222CC..EExtended strand (participates in β ladder)trans-99.4133.3-165.4-660000111.4V139 R153 F154V139-T141 VanDerWaalsContact C-N 3.25Å; V139-T141 PolarHBondContact O-N 2.88Å; V139-T141 VanDerWaalsContact O-N 3.1Å; V139-T141 PolarHBondContact O-OG1 2.97Å; T141-R153 WeakPolarHBondContact O-CA 3.47Å; T141-F154 HydrophobicContact CG2-CE1 3.75Å; T141-F154 HydrophobicContact CG2-CE2 4.31Å; T141-F154 HydrophobicContact CG2-CZ 3.49Å; T141-F154 VanDerWaalsContact CG2-CZ 3.49Å; T141-F154 PolarHBondContact N-O 3.29Å; T141-F154 VanDerWaalsContact N-O 3.08Å; T141-F154 VanDerWaalsContact O-CD1 3.24Å; T141-F154 WeakPolarHBondContact O-CD1 3.27Å; T141-F154 WeakPolarHBondContact O-CE1 3.48Å; T141-F154 PolarHBondContact O-N 2.88Å
142N91.7Very high88.3Confident112 Ų11244.1 Ų44.160%0.59923%0.225SC*.EExtended strand (participates in β ladder)trans-74.7140.1175.1-66.2-45.8000110.8G152N142-G152 CarbonylContact C-O 3.6Å; N142-G152 WeakPolarHBondContact CA-O 3.4Å
143C90.7Very high88.5Confident6 Ų647.5 Ų47.54%0.04123%0.233CC..EExtended strand (participates in β ladder)trans-132.7158.6174.564.60000110.4R151 G152 F154 A199C143-R151 CarbonylContact O-C 3.53Å; C143-R151 WeakPolarHBondContact O-CA 3.44Å; C143-G152 PolarHBondContact N-O 3.49Å; C143-G152 PolarHBondContact O-N 3.27Å; C143-F154 HydrophobicContact CB-CD1 4.09Å; C143-F154 HydrophobicContact CB-CE1 4.05Å; C143-A199 HydrophobicContact CB-CB 3.79Å
144F89.9Confident88.9Confident7 Ų744 Ų443%0.03122%0.215CC..EExtended strand (participates in β ladder)trans-149.3136.8-179.8166.1-93.9000110.6I11 I13 F47 V50 P146 L149 Y150 R151 T203I11-F144 HydrophobicContact CD1-CD1 4.07Å; I11-F144 HydrophobicContact CD1-CE1 3.03Å; I11-F144 HydrophobicContact CD1-CZ 3.34Å; I11-F144 HydrophobicContact CG1-CE1 4.37Å; I11-F144 HydrophobicContact CG2-CD1 4.37Å; I11-F144 HydrophobicContact CG2-CE1 4.25Å; I13-F144 HydrophobicContact CD1-CB 4.17Å; I13-F144 HydrophobicContact CD1-CD1 3.81Å; I13-F144 HydrophobicContact CD1-CG 4.36Å; F47-F144 HydrophobicContact CD1-CD2 4.44Å; F47-F144 HydrophobicContact CE1-CB 4.47Å; F47-F144 HydrophobicContact CE1-CD1 4.48Å; F47-F144 HydrophobicContact CE1-CD2 4.05Å; F47-F144 HydrophobicContact CE1-CE2 4.47Å; F47-F144 HydrophobicContact CE1-CG 4.04Å; V50-F144 HydrophobicContact CG1-CD2 4.01Å; V50-F144 HydrophobicContact CG1-CE2 3.74Å; V50-F144 HydrophobicContact CG2-CE2 4.13Å; F144-P146 HydrophobicContact CE1-CB 3.71Å; F144-P146 HydrophobicContact CE1-CG 4.4Å; F144-P146 VanDerWaalsContact CE1-N 3.35Å; F144-P146 HydrophobicContact CZ-CB 4.37Å; F144-L149 HydrophobicContact CZ-CD2 4.16Å; F144-Y150 WeakPolarHBondContact CA-O 3.35Å; F144-Y150 WeakPolarHBondContact CD2-O 3.46Å; F144-R151 HydrophobicContact CB-CB 4.49Å; F144-R151 HydrophobicContact CD2-CB 4.13Å; F144-T203 HydrophobicContact CB-CG2 4.5Å; F144-T203 HydrophobicContact CD1-CG2 4.46Å; F144-T203 WeakPolarHBondContact O-CG2 3.14Å
145H91.1Very high89.1Confident0 Ų043.9 Ų43.90%021%0.214CC..EExtended strand (participates in β ladder)trans-105.1111.1176.4-165.5-56.4000110.4Q147 L148 L149 Y150 A199 F202 W240H145-Q147 PolarHBondContact ND1-N 3.49Å; H145-L148 PolarHBondContact ND1-N 3.49Å; H145-L149 VanDerWaalsContact O-CA 3.26Å; H145-L149 WeakPolarHBondContact O-CA 3.31Å; H145-L149 PolarHBondContact O-N 3.16Å; H145-Y150 HydrophobicContact CB-CD1 3.78Å; H145-Y150 HydrophobicContact CB-CD2 4.29Å; H145-Y150 HydrophobicContact CB-CE1 3.32Å; H145-Y150 HydrophobicContact CB-CE2 3.88Å; H145-Y150 HydrophobicContact CB-CG 4.22Å; H145-Y150 AromaticContact CD2-CE1 3.97Å; H145-Y150 AromaticContact CD2-CZ 3.92Å; H145-Y150 PolarHBondContact CD2-OH 3.49Å; H145-Y150 AromaticContact CG-CE1 3.65Å; H145-Y150 AromaticContact CG-CZ 3.85Å; H145-Y150 PolarHBondContact N-O 2.95Å; H145-Y150 PolarHBondContact O-N 3.16Å; H145-A199 HydrophobicContact CB-CB 4.07Å; H145-F202 AromaticContact CE1-CD2 3.87Å; H145-F202 AromaticContact NE2-CD2 3.89Å; H145-W240 AromaticContact CD2-CH2 3.61Å; H145-W240 AromaticContact NE2-CH2 3.66Å; H145-W240 AromaticContact NE2-CZ2 3.94Å
146P83Confident89.6Confident9 Ų938.3 Ų38.36%0.05819%0.19CC..THydrogen-bonded Turntrans-65.6-44.3-17519.7-28.8000115I11 V20 F144 L149 F202I11-P146 HydrophobicContact CD1-CB 4.16Å; V20-P146 HydrophobicContact CB-CB 4.12Å; V20-P146 HydrophobicContact CG1-CB 3.72Å; V20-P146 WeakPolarHBondContact CG1-O 3.17Å; V20-P146 HydrophobicContact CG2-CB 3.25Å; V20-P146 HydrophobicContact CG2-CG 4.45Å; F144-P146 HydrophobicContact CE1-CB 3.71Å; F144-P146 HydrophobicContact CE1-CG 4.4Å; F144-P146 VanDerWaalsContact CE1-N 3.35Å; F144-P146 HydrophobicContact CZ-CB 4.37Å; P146-L149 VanDerWaalsContact O-CD2 3.22Å; P146-L149 WeakPolarHBondContact O-CD2 3.49Å; P146-F202 HydrophobicContact CB-CE1 4.43Å; P146-F202 VanDerWaalsContact CD-CD1 3.47Å; P146-F202 HydrophobicContact CG-CD1 3.11Å; P146-F202 HydrophobicContact CG-CD2 4.25Å; P146-F202 HydrophobicContact CG-CE1 3.15Å; P146-F202 HydrophobicContact CG-CE2 4.27Å; P146-F202 HydrophobicContact CG-CG 3.7Å; P146-F202 HydrophobicContact CG-CZ 3.78Å
147Q85.4Confident90.3Very high50 Ų5033 Ų3323%0.23417%0.17CC..THydrogen-bonded Turntrans-74.8-43.1-174-59.5171.4-55.400112.6V20 V28 H145 L149 F202V20-Q147 HydrophobicContact CG1-CG 4.49Å; V28-Q147 HydrophobicContact CG2-CB 4.32Å; H145-Q147 PolarHBondContact ND1-N 3.49Å; Q147-L149 VanDerWaalsContact C-N 3.33Å; Q147-F202 HydrophobicContact CG-CE2 4.23Å; Q147-F202 HydrophobicContact CG-CZ 4.19Å; Q147-F202 VanDerWaalsContact OE1-CE2 3.25Å
148L89.3Confident91.2Very high34 Ų3429.9 Ų29.918%0.17815%0.147CC..THydrogen-bonded Turntrans-84.7-3.6177.1-66.6178.6000113.9H145 Y150 W240 V247 Y251H145-L148 PolarHBondContact ND1-N 3.49Å; L148-Y150 HydrophobicContact CB-CD1 3.66Å; L148-Y150 HydrophobicContact CB-CE1 3.65Å; L148-Y150 HydrophobicContact CD1-CE1 3.88Å; L148-Y150 HydrophobicContact CG-CE1 4.42Å; L148-Y150 PolarHBondContact O-N 3.48Å; L148-W240 HydrophobicContact CD1-CH2 3.63Å; L148-W240 HydrophobicContact CD1-CZ2 3.62Å; L148-V247 HydrophobicContact CB-CG1 4.25Å; L148-V247 HydrophobicContact CD2-CG1 4.42Å; L148-Y251 WeakPolarHBondContact O-CE2 3.38Å
149L90.8Very high91.8Very high23 Ų2330.7 Ų30.712%0.1215%0.147CC..THydrogen-bonded Turntrans48.756.8177.1-64.3174.1000113.9Y9 P51 F144 H145 P146 Q147 Y251Y9-L149 HydrophobicContact CD2-CD2 4.23Å; Y9-L149 HydrophobicContact CE2-CD1 3.72Å; Y9-L149 HydrophobicContact CE2-CD2 4.21Å; P51-L149 WeakPolarHBondContact CD-O 3.46Å; F144-L149 HydrophobicContact CZ-CD2 4.16Å; H145-L149 VanDerWaalsContact O-CA 3.26Å; H145-L149 WeakPolarHBondContact O-CA 3.31Å; H145-L149 PolarHBondContact O-N 3.16Å; P146-L149 VanDerWaalsContact O-CD2 3.22Å; P146-L149 WeakPolarHBondContact O-CD2 3.49Å; Q147-L149 VanDerWaalsContact C-N 3.33Å; L149-Y251 VanDerWaalsContact CB-OH 3.25Å; L149-Y251 WeakPolarHBondContact CB-OH 3.44Å; L149-Y251 PolarHBondContact O-OH 2.83Å
150Y94Very high92Very high0 Ų032.2 Ų32.20%015%0.154CC..EExtended strand (participates in β ladder)trans-131.4159.7168.767.9-94.8000110.6V53 I56 F144 H145 L148 A195 A199 W240 W243 V247V53-Y150 HydrophobicContact CG2-CD2 3.72Å; V53-Y150 HydrophobicContact CG2-CE2 4Å; I56-Y150 HydrophobicContact CD1-CG 4.36Å; F144-Y150 WeakPolarHBondContact CA-O 3.35Å; F144-Y150 WeakPolarHBondContact CD2-O 3.46Å; H145-Y150 HydrophobicContact CB-CD1 3.78Å; H145-Y150 HydrophobicContact CB-CD2 4.29Å; H145-Y150 HydrophobicContact CB-CE1 3.32Å; H145-Y150 HydrophobicContact CB-CE2 3.88Å; H145-Y150 HydrophobicContact CB-CG 4.22Å; H145-Y150 AromaticContact CD2-CE1 3.97Å; H145-Y150 AromaticContact CD2-CZ 3.92Å; H145-Y150 PolarHBondContact CD2-OH 3.49Å; H145-Y150 AromaticContact CG-CE1 3.65Å; H145-Y150 AromaticContact CG-CZ 3.85Å; H145-Y150 PolarHBondContact N-O 2.95Å; H145-Y150 PolarHBondContact O-N 3.16Å; L148-Y150 HydrophobicContact CB-CD1 3.66Å; L148-Y150 HydrophobicContact CB-CE1 3.65Å; L148-Y150 HydrophobicContact CD1-CE1 3.88Å; L148-Y150 HydrophobicContact CG-CE1 4.42Å; L148-Y150 PolarHBondContact O-N 3.48Å; Y150-A195 HydrophobicContact CE2-CB 4.16Å; Y150-A195 WeakPolarHBondContact CE2-O 3.45Å; Y150-A195 PolarHBondContact OH-O 2.92Å; Y150-A199 HydrophobicContact CE2-CB 3.75Å; Y150-A199 PolarHBondContact OH-N 2.84Å; Y150-W240 HydrophobicContact CE1-CH2 4.48Å; Y150-W240 WeakPolarHBondContact OH-CH2 3.29Å; Y150-W240 VanDerWaalsContact OH-CZ3 3.24Å; Y150-W240 WeakPolarHBondContact OH-CZ3 3.25Å; Y150-W243 HydrophobicContact CD1-CZ2 4.02Å; Y150-W243 AromaticContact CD1-NE1 3.77Å; Y150-W243 AromaticContact CD2-CZ2 3.86Å; Y150-W243 HydrophobicContact CD2-CZ2 3.86Å; Y150-W243 HydrophobicContact CE1-CZ2 4.23Å; Y150-W243 AromaticContact CE1-NE1 3.18Å; Y150-W243 HydrophobicContact CE2-CZ2 4.09Å; Y150-W243 AromaticContact CE2-NE1 3.92Å; Y150-W243 AromaticContact CG-CZ2 3.85Å; Y150-W243 HydrophobicContact CG-CZ2 3.85Å; Y150-W243 AromaticContact CZ-NE1 3.29Å; Y150-W243 VanDerWaalsContact CZ-NE1 3.29Å; Y150-V247 HydrophobicContact CD1-CG2 4.09Å; Y150-V247 HydrophobicContact CE1-CG2 4.48Å
151R94.3Very high91.9Very high92 Ų9234.5 Ų34.535%0.34716%0.163SC..EExtended strand (participates in β ladder)trans-126.7162.2176.666.1-176.6178.389.31.2111.9F47 V50 P51 T52 V53 C143 F144F47-R151 PolarHBondContact O-NE 3.39Å; V50-R151 HydrophobicContact CG1-CB 4.03Å; V50-R151 HydrophobicContact CG1-CG 4.01Å; V50-R151 PolarHBondContact O-NE 2.79Å; P51-R151 PolarHBondContact O-N 3.32Å; T52-R151 CarbonylContact C-O 3.58Å; T52-R151 WeakPolarHBondContact CA-O 3.47Å; T52-R151 HydrophobicContact CG2-CG 4.14Å; T52-R151 VanDerWaalsContact CG2-CZ 3.4Å; V53-R151 PolarHBondContact N-O 2.73Å; C143-R151 CarbonylContact O-C 3.53Å; C143-R151 WeakPolarHBondContact O-CA 3.44Å; F144-R151 HydrophobicContact CB-CB 4.49Å; F144-R151 HydrophobicContact CD2-CB 4.13Å
152G94.5Very high91.7Very high8 Ų840 Ų408%0.08219%0.191CC..EExtended strand (participates in β ladder)trans-153.7170.6-179.800000111.9N142 C143N142-G152 CarbonylContact C-O 3.6Å; N142-G152 WeakPolarHBondContact CA-O 3.4Å; C143-G152 PolarHBondContact N-O 3.49Å; C143-G152 PolarHBondContact O-N 3.27Å
153R95Very high91.6Very high135 Ų13538.6 Ų38.651%0.50918%0.183SC..EExtended strand (participates in β ladder)trans-135.3117.3164.7-171.1178-170.1-167.7-4106E140 T141 Y196E140-R153 PolarHBondContact O-NE 2.99Å; E140-R153 PolarHBondContact O-NH2 3.07Å; E140-R153 IonicContact OE2-CZ 2.7Å; E140-R153 IonicContact OE2-NE 3.15Å; E140-R153 PolarHBondContact OE2-NE 3.32Å; E140-R153 VanDerWaalsContact OE2-NE 3.11Å; E140-R153 IonicContact OE2-NH1 3.82Å; E140-R153 IonicContact OE2-NH2 3.01Å; E140-R153 PolarHBondContact OE2-NH2 3.46Å; T141-R153 WeakPolarHBondContact O-CA 3.47Å; R153-Y196 PolarHBondContact O-OH 2.92Å
154F95.4Very high91.6Very high0 Ų044.6 Ų44.60%021%0.214CC..EExtended strand (participates in β ladder)trans-101.2154.3-179.561.6-98.2000110.1E140 T141 C143 I157 L168 Y196 Y200E140-F154 CarbonylContact C-O 3.59Å; E140-F154 WeakPolarHBondContact CA-O 3.41Å; E140-F154 PolarHBondContact N-O 3Å; T141-F154 HydrophobicContact CG2-CE1 3.75Å; T141-F154 HydrophobicContact CG2-CE2 4.31Å; T141-F154 HydrophobicContact CG2-CZ 3.49Å; T141-F154 VanDerWaalsContact CG2-CZ 3.49Å; T141-F154 PolarHBondContact N-O 3.29Å; T141-F154 VanDerWaalsContact N-O 3.08Å; T141-F154 VanDerWaalsContact O-CD1 3.24Å; T141-F154 WeakPolarHBondContact O-CD1 3.27Å; T141-F154 WeakPolarHBondContact O-CE1 3.48Å; T141-F154 PolarHBondContact O-N 2.88Å; C143-F154 HydrophobicContact CB-CD1 4.09Å; C143-F154 HydrophobicContact CB-CE1 4.05Å; F154-I157 HydrophobicContact CD2-CG1 4.35Å; F154-I157 HydrophobicContact CE2-CD1 3.74Å; F154-I157 HydrophobicContact CE2-CG1 3.65Å; F154-I157 HydrophobicContact CZ-CD1 3.69Å; F154-I157 HydrophobicContact CZ-CG1 4.14Å; F154-L168 HydrophobicContact CB-CD1 4.09Å; F154-L168 HydrophobicContact CB-CD2 4.33Å; F154-L168 HydrophobicContact CB-CG 4.38Å; F154-L168 HydrophobicContact CD1-CD1 4.11Å; F154-L168 HydrophobicContact CD2-CD1 4.1Å; F154-L168 HydrophobicContact CD2-CG 4.32Å; F154-L168 HydrophobicContact CG-CD1 3.84Å; F154-L168 HydrophobicContact CG-CG 4.37Å; F154-Y196 HydrophobicContact CB-CD1 4.36Å; F154-Y196 HydrophobicContact CB-CD2 3.59Å; F154-Y196 HydrophobicContact CB-CE2 4.1Å; F154-Y196 HydrophobicContact CB-CG 3.74Å; F154-Y200 AromaticContact CE1-CD2 3.81Å; F154-Y200 HydrophobicContact CE1-CD2 3.81Å; F154-Y200 HydrophobicContact CE1-CG 4.37Å; F154-Y200 AromaticContact CZ-CD2 3.77Å; F154-Y200 HydrophobicContact CZ-CD2 3.77Å; F154-Y200 HydrophobicContact CZ-CE2 4.21Å; F154-Y200 HydrophobicContact CZ-CG 4.5Å
155D95.5Very high91.7Very high16 Ų1646.6 Ų46.69%0.08622%0.224CC..EExtended strand (participates in β ladder)trans-73-48.7-171.1-56.6-30.1000113.1H100 V139 E140 E170 W171H100-D155 IonicContact CE1-OD1 3Å; H100-D155 PolarHBondContact CE1-OD1 3.48Å; H100-D155 IonicContact CE1-OD2 3.97Å; H100-D155 PolarHBondContact CE1-OD2 3.2Å; H100-D155 IonicContact ND1-OD1 3.92Å; H100-D155 PolarHBondContact ND1-OD1 3.3Å; H100-D155 IonicContact ND1-OD2 3.98Å; V139-D155 CarbonylContact C-O 3.58Å; V139-D155 VanDerWaalsContact CA-O 3.26Å; V139-D155 WeakPolarHBondContact CA-O 3.39Å; E140-D155 PolarHBondContact N-O 3.41Å; D155-E170 WeakPolarHBondContact OD2-CA 3.33Å; D155-W171 VanDerWaalsContact CB-CD1 3.4Å; D155-W171 PolarHBondContact OD2-N 3.27Å
156S96Very high91.9Very high1 Ų146.9 Ų46.91%0.00723%0.225CC..EExtended strand (participates in β ladder)trans-161.2163.2174.851.20000114.8A138 T169 W171A138-S156 CarbonylContact O-C 3.41Å; A138-S156 WeakPolarHBondContact O-CA 3.12Å; A138-S156 WeakPolarHBondContact O-CB 3.46Å; S156-T169 PolarHBondContact O-N 3.05Å; S156-T169 PolarHBondContact O-OG1 3.31Å; S156-T169 PolarHBondContact OG-OG1 3.23Å; S156-W171 PolarHBondContact OG-NE1 2.96Å
157I96.3Very high92.6Very high1 Ų146.7 Ų46.71%0.00522%0.224CC..EExtended strand (participates in β ladder)trans-115.3128.8159.6-68.4165.9000107.5S137 A138 F154 P166 I167 L168 Y200 V211S137-I157 PolarHBondContact N-O 3.36Å; A138-I157 HydrophobicContact CB-CB 4.36Å; A138-I157 PolarHBondContact N-O 2.87Å; A138-I157 PolarHBondContact O-N 2.92Å; F154-I157 HydrophobicContact CD2-CG1 4.35Å; F154-I157 HydrophobicContact CE2-CD1 3.74Å; F154-I157 HydrophobicContact CE2-CG1 3.65Å; F154-I157 HydrophobicContact CZ-CD1 3.69Å; F154-I157 HydrophobicContact CZ-CG1 4.14Å; I157-P166 HydrophobicContact CG2-CB 3.7Å; I157-I167 WeakPolarHBondContact CA-O 3.31Å; I157-L168 HydrophobicContact CG1-CB 4.3Å; I157-L168 HydrophobicContact CG1-CG 4.44Å; I157-Y200 HydrophobicContact CD1-CD1 3.91Å; I157-Y200 HydrophobicContact CD1-CD2 3.79Å; I157-Y200 HydrophobicContact CD1-CE1 3.6Å; I157-Y200 HydrophobicContact CD1-CE2 3.46Å; I157-Y200 VanDerWaalsContact CD1-CE2 3.46Å; I157-Y200 HydrophobicContact CD1-CG 3.99Å; I157-V211 HydrophobicContact CD1-CG2 4.06Å; I157-V211 HydrophobicContact CG1-CG2 4.42Å
158V95.9Very high93.2Very high0 Ų044.3 Ų44.30%021%0.213CC..EExtended strand (participates in β ladder)trans-126.9163.3-177.5-55.40000110.9L107 L134 K135 I167 T169 W171 M215L107-V158 HydrophobicContact CD1-CG1 4.39Å; L107-V158 HydrophobicContact CD2-CG1 4.2Å; L134-V158 HydrophobicContact CB-CB 4.4Å; L134-V158 HydrophobicContact CD1-CG1 4.43Å; L134-V158 HydrophobicContact CD1-CG2 4.23Å; L134-V158 HydrophobicContact CD2-CB 4.29Å; L134-V158 HydrophobicContact CD2-CG2 3.8Å; L134-V158 HydrophobicContact CG-CG2 4.48Å; K135-V158 CarbonylContact O-C 3.58Å; K135-V158 WeakPolarHBondContact O-CA 3.34Å; V158-I167 HydrophobicContact CG2-CB 4.19Å; V158-I167 PolarHBondContact N-O 2.9Å; V158-I167 PolarHBondContact O-N 3.19Å; V158-T169 HydrophobicContact CB-CG2 4.41Å; V158-T169 HydrophobicContact CG1-CG2 4.11Å; V158-T169 HydrophobicContact CG2-CG2 3.47Å; V158-T169 VanDerWaalsContact CG2-CG2 3.47Å; V158-W171 HydrophobicContact CG1-CZ2 4.49Å; V158-M215 HydrophobicContact CG2-CE 4.2Å
159F95Very high93.6Very high39 Ų3942.7 Ų42.717%0.17120%0.204CC..EExtended strand (participates in β ladder)trans-120.1135.7170.2-70.7-96.9000107.8L134 K135 E165 P166 L209L134-F159 WeakPolarHBondContact CA-O 3.08Å; K135-F159 HydrophobicContact CB-CB 4.43Å; K135-F159 PolarHBondContact N-O 3.22Å; K135-F159 PolarHBondContact O-N 3.12Å; F159-E165 WeakPolarHBondContact CD1-O 3.25Å; F159-P166 HydrophobicContact CE1-CB 4.02Å; F159-P166 HydrophobicContact CE1-CG 4.5Å; F159-P166 HydrophobicContact CE2-CB 4.17Å; F159-P166 HydrophobicContact CZ-CB 3.7Å; F159-P166 HydrophobicContact CZ-CG 4.38Å; F159-L209 HydrophobicContact CE1-CD1 4.48Å
160L91.2Very high93.9Very high63 Ų6342 Ų4233%0.3320%0.201SC..EExtended strand (participates in β ladder)trans-66.4146.3163.6-69.4165.6000108.3L134 D162 I163 I167L134-L160 HydrophobicContact CD2-CD2 3.72Å; L134-L160 HydrophobicContact CD2-CG 4.41Å; L160-D162 PolarHBondContact O-N 2.91Å; L160-I163 HydrophobicContact CB-CB 4.19Å; L160-I163 HydrophobicContact CB-CD1 4.04Å; L160-I163 HydrophobicContact CB-CG1 4.41Å; L160-I163 HydrophobicContact CD1-CD1 4.12Å; L160-I163 PolarHBondContact O-N 3.24Å; L160-I163 VanDerWaalsContact O-N 3.16Å; L160-I167 HydrophobicContact CD1-CD1 3.85Å; L160-I167 HydrophobicContact CG-CD1 3.93Å
161K85.2Confident94Very high93 Ų9342.3 Ų42.340%0.40420%0.202SC..THydrogen-bonded Turntrans-49133.5174.1-75.3173.2-174.21550110.3N132 D133 I163N132-K161 WeakPolarHBondContact O-CE 3.42Å; N132-K161 PolarHBondContact O-NZ 3.35Å; D133-K161 PolarHBondContact O-N 2.91Å; D133-K161 IonicContact OD1-NZ 3.69Å; D133-K161 PolarHBondContact OD1-NZ 3.08Å; K161-I163 PolarHBondContact O-N 2.96Å
162D85.7Confident94.1Very high150 Ų15040.3 Ų40.380%0.80220%0.196SC*.THydrogen-bonded Turntrans61.511.4174-44.3-41.5000115.3L160L160-D162 PolarHBondContact O-N 2.91Å
163I88.9Confident94.2Very high84 Ų8441.6 Ų41.643%0.43120%0.202SC..  trans-117.4116.2173.3-58.6177000108.4L160 K161 E165L160-I163 HydrophobicContact CB-CB 4.19Å; L160-I163 HydrophobicContact CB-CD1 4.04Å; L160-I163 HydrophobicContact CB-CG1 4.41Å; L160-I163 HydrophobicContact CD1-CD1 4.12Å; L160-I163 PolarHBondContact O-N 3.24Å; L160-I163 VanDerWaalsContact O-N 3.16Å; K161-I163 PolarHBondContact O-N 2.96Å; I163-E165 HydrophobicContact CG2-CB 3.92Å; I163-E165 PolarHBondContact O-N 3.37Å
164N90.5Very high94.1Very high131 Ų13136.1 Ų36.170%0.70118%0.183SC*.  trans-86.250.2179.8-165.136.1000112.3L209N164-L209 WeakPolarHBondContact O-CD1 3.12Å
165E93.2Very high93.7Very high49 Ų4939 Ų3923%0.22920%0.197CC..  trans-124119.8175.9-171-178.417600109.8F159 I163 K213F159-E165 WeakPolarHBondContact CD1-O 3.25Å; I163-E165 HydrophobicContact CG2-CB 3.92Å; I163-E165 PolarHBondContact O-N 3.37Å; E165-K213 VanDerWaalsContact CD-CE 3.49Å; E165-K213 WeakPolarHBondContact OE1-CD 3.43Å; E165-K213 WeakPolarHBondContact OE1-CE 3.42Å; E165-K213 WeakPolarHBondContact OE1-CG 3.38Å; E165-K213 IonicContact OE1-NZ 3.06Å; E165-K213 PolarHBondContact OE1-NZ 3.04Å; E165-K213 VanDerWaalsContact OE2-CE 3.26Å; E165-K213 WeakPolarHBondContact OE2-CE 3.49Å; E165-K213 IonicContact OE2-NZ 3.89Å; E165-K213 PolarHBondContact OE2-NZ 2.66Å
166P95.9Very high92.9Very high6 Ų641.6 Ų41.64%0.03921%0.208CC..EExtended strand (participates in β ladder)trans-74.3135.4179.931.4-35.5000110.9I157 F159 L209 P210 V211I157-P166 HydrophobicContact CG2-CB 3.7Å; F159-P166 HydrophobicContact CE1-CB 4.02Å; F159-P166 HydrophobicContact CE1-CG 4.5Å; F159-P166 HydrophobicContact CE2-CB 4.17Å; F159-P166 HydrophobicContact CZ-CB 3.7Å; F159-P166 HydrophobicContact CZ-CG 4.38Å; P166-L209 HydrophobicContact CG-CB 3.82Å; P166-P210 WeakPolarHBondContact CG-O 3.25Å; P166-V211 HydrophobicContact CB-CG2 4.01Å; P166-V211 HydrophobicContact CG-CG2 4.06Å
167I97.3Very high92Very high5 Ų546.8 Ų46.83%0.02625%0.245CC..EExtended strand (participates in β ladder)trans-119.5122178.3-52.7177.5000107.9I157 V158 L160 K213 M215I157-I167 WeakPolarHBondContact CA-O 3.31Å; V158-I167 HydrophobicContact CG2-CB 4.19Å; V158-I167 PolarHBondContact N-O 2.9Å; V158-I167 PolarHBondContact O-N 3.19Å; L160-I167 HydrophobicContact CD1-CD1 3.85Å; L160-I167 HydrophobicContact CG-CD1 3.93Å; I167-K213 WeakPolarHBondContact CA-O 3.39Å; I167-K213 HydrophobicContact CB-CB 4.48Å; I167-K213 HydrophobicContact CG1-CB 4.06Å; I167-K213 HydrophobicContact CG2-CB 4.21Å; I167-M215 HydrophobicContact CG2-CB 3.65Å
168L97.8Very high91.6Very high0 Ų052.4 Ų52.40%027%0.269CS..EExtended strand (participates in β ladder)trans-79.3130.6171-173.9148.6000109.3F154 I157 V193 Y196 I197 V211 K213 G214 M215F154-L168 HydrophobicContact CB-CD1 4.09Å; F154-L168 HydrophobicContact CB-CD2 4.33Å; F154-L168 HydrophobicContact CB-CG 4.38Å; F154-L168 HydrophobicContact CD1-CD1 4.11Å; F154-L168 HydrophobicContact CD2-CD1 4.1Å; F154-L168 HydrophobicContact CD2-CG 4.32Å; F154-L168 HydrophobicContact CG-CD1 3.84Å; F154-L168 HydrophobicContact CG-CG 4.37Å; I157-L168 HydrophobicContact CG1-CB 4.3Å; I157-L168 HydrophobicContact CG1-CG 4.44Å; L168-V193 HydrophobicContact CD2-CB 4.46Å; L168-V193 HydrophobicContact CD2-CG1 4.04Å; L168-V193 HydrophobicContact CD2-CG2 4.3Å; L168-Y196 HydrophobicContact CD2-CD2 4.26Å; L168-I197 HydrophobicContact CB-CD1 4.16Å; L168-I197 HydrophobicContact CB-CG1 3.72Å; L168-I197 HydrophobicContact CD1-CG1 3.94Å; L168-I197 HydrophobicContact CD2-CG1 4.36Å; L168-I197 HydrophobicContact CG-CG1 4.22Å; L168-V211 HydrophobicContact CB-CG1 3.85Å; L168-K213 PolarHBondContact N-O 3Å; L168-K213 VanDerWaalsContact N-O 3.08Å; L168-G214 CarbonylContact O-C 3.51Å; L168-G214 VanDerWaalsContact O-CA 3.29Å; L168-G214 WeakPolarHBondContact O-CA 3.38Å; L168-M215 PolarHBondContact O-N 3.36Å
169T97.1Very high91.5Very high0 Ų055.4 Ų55.40%028%0.28CS..EExtended strand (participates in β ladder)trans-115.6142.3-174.8580000111.6S156 V158 W171 M215S156-T169 PolarHBondContact O-N 3.05Å; S156-T169 PolarHBondContact O-OG1 3.31Å; S156-T169 PolarHBondContact OG-OG1 3.23Å; V158-T169 HydrophobicContact CB-CG2 4.41Å; V158-T169 HydrophobicContact CG1-CG2 4.11Å; V158-T169 HydrophobicContact CG2-CG2 3.47Å; V158-T169 VanDerWaalsContact CG2-CG2 3.47Å; T169-W171 HydrophobicContact CG2-CH2 4.49Å; T169-W171 HydrophobicContact CG2-CZ2 3.92Å; T169-W171 PolarHBondContact OG1-NE1 3.36Å; T169-M215 VanDerWaalsContact CA-O 3.26Å; T169-M215 WeakPolarHBondContact CA-O 3.38Å; T169-M215 HydrophobicContact CG2-CB 4.28Å; T169-M215 HydrophobicContact CG2-CE 3.55Å
170E96.9Very high91.4Very high9 Ų954.5 Ų54.54%0.04228%0.277CS..EExtended strand (participates in β ladder)trans-118.8121.7165.1178.777.9-167.800108.1D155 K172 Q192 V193 Y196 M215 L216 V217D155-E170 WeakPolarHBondContact OD2-CA 3.33Å; E170-K172 HydrophobicContact CG-CD 4.45Å; E170-K172 HydrophobicContact CG-CG 4.07Å; E170-K172 IonicContact OE1-NZ 3.11Å; E170-K172 PolarHBondContact OE1-NZ 3.31Å; E170-Q192 PolarHBondContact OE1-NE2 3.34Å; E170-Q192 PolarHBondContact OE1-OE1 3.11Å; E170-Q192 PolarHBondContact OE2-NE2 2.77Å; E170-V193 HydrophobicContact CB-CG2 3.68Å; E170-Y196 WeakPolarHBondContact OE2-CE2 3.48Å; E170-M215 PolarHBondContact N-O 3.38Å; E170-L216 HydrophobicContact CB-CD2 3.85Å; E170-L216 HydrophobicContact CG-CD2 4.31Å; E170-V217 PolarHBondContact O-N 3.22Å
171W96.8Very high91.6Very high7 Ų757.7 Ų57.73%0.02729%0.294CS..EExtended strand (participates in β ladder)trans-98.9133.4176.6-47.696.6000108.7H100 V103 L107 L127 I130 L131 L134 D155 S156 V158 T169 M215 V217H100-W171 PolarHBondContact CE1-O 3.02Å; H100-W171 VanDerWaalsContact CE1-O 3.32Å; H100-W171 PolarHBondContact NE2-O 3.49Å; V103-W171 HydrophobicContact CG1-CD2 3.88Å; V103-W171 HydrophobicContact CG1-CE3 4.41Å; V103-W171 HydrophobicContact CG1-CG 4.07Å; V103-W171 HydrophobicContact CG1-CZ2 4.3Å; L107-W171 HydrophobicContact CD1-CZ2 4.23Å; L127-W171 HydrophobicContact CD2-CE3 4.08Å; L127-W171 HydrophobicContact CD2-CZ3 4.31Å; I130-W171 HydrophobicContact CG2-CH2 4.44Å; I130-W171 HydrophobicContact CG2-CZ3 4.2Å; L131-W171 HydrophobicContact CD2-CH2 3.75Å; L131-W171 HydrophobicContact CD2-CZ2 4.3Å; L131-W171 HydrophobicContact CD2-CZ3 4.02Å; L134-W171 HydrophobicContact CD1-CH2 3.62Å; L134-W171 HydrophobicContact CD1-CZ2 4.29Å; D155-W171 VanDerWaalsContact CB-CD1 3.4Å; D155-W171 PolarHBondContact OD2-N 3.27Å; S156-W171 PolarHBondContact OG-NE1 2.96Å; V158-W171 HydrophobicContact CG1-CZ2 4.49Å; T169-W171 HydrophobicContact CG2-CH2 4.49Å; T169-W171 HydrophobicContact CG2-CZ2 3.92Å; T169-W171 PolarHBondContact OG1-NE1 3.36Å; W171-M215 HydrophobicContact CH2-CE 4.34Å; W171-V217 CarbonylContact C-O 3.59Å; W171-V217 HydrophobicContact CD2-CB 4.43Å; W171-V217 HydrophobicContact CE3-CB 3.49Å; W171-V217 VanDerWaalsContact CE3-CB 3.49Å; W171-V217 HydrophobicContact CE3-CG1 3.75Å; W171-V217 HydrophobicContact CE3-CG2 3.78Å; W171-V217 HydrophobicContact CH2-CG2 4.24Å; W171-V217 HydrophobicContact CZ3-CB 3.73Å; W171-V217 HydrophobicContact CZ3-CG1 3.8Å; W171-V217 HydrophobicContact CZ3-CG2 3.54Å
172K96.2Very high92Very high50 Ų5055.9 Ų55.922%0.21729%0.29CS..EExtended strand (participates in β ladder)trans-132145179.1-65.2-161.6-179.3-590111.3E170 S189 V217 Y218 S219E170-K172 HydrophobicContact CG-CD 4.45Å; E170-K172 HydrophobicContact CG-CG 4.07Å; E170-K172 IonicContact OE1-NZ 3.11Å; E170-K172 PolarHBondContact OE1-NZ 3.31Å; K172-S189 WeakPolarHBondContact CE-OG 3.42Å; K172-V217 PolarHBondContact N-O 2.85Å; K172-Y218 HydrophobicContact CB-CD1 3.76Å; K172-Y218 HydrophobicContact CB-CE1 3.87Å; K172-Y218 HydrophobicContact CD-CD1 4.49Å; K172-Y218 HydrophobicContact CD-CE1 3.73Å; K172-Y218 HydrophobicContact CG-CE1 4.24Å; K172-S219 PolarHBondContact O-N 2.61Å; K172-S219 PolarHBondContact O-OG 2.97Å
173T95.9Very high92.4Very high34 Ų3450.3 Ų50.321%0.20926%0.26CS..EExtended strand (participates in β ladder)trans-97.4126.9170.850.70000109.5V99 Y123V99-T173 HydrophobicContact CB-CG2 3.64Å; V99-T173 HydrophobicContact CG1-CG2 3.7Å; V99-T173 HydrophobicContact CG2-CG2 3.72Å; Y123-T173 HydrophobicContact CD1-CG2 3.91Å; Y123-T173 HydrophobicContact CE1-CG2 4.13Å; Y123-T173 HydrophobicContact CG-CG2 4.34Å
174V94.1Very high92.5Very high20 Ų2052.9 Ų52.912%0.12127%0.27CS..EExtended strand (participates in β ladder)trans-108.2105.7174.6-176.30000108.1Y123 I180 Y218 S219 Y220Y123-V174 PolarHBondContact OH-O 3.02Å; V174-I180 HydrophobicContact CG2-CG1 4.01Å; V174-Y218 HydrophobicContact CG2-CD1 3.58Å; V174-Y218 HydrophobicContact CG2-CG 4.18Å; V174-S219 PolarHBondContact N-O 3.48Å; V174-Y220 HydrophobicContact CB-CD1 3.77Å; V174-Y220 HydrophobicContact CB-CE1 3.8Å; V174-Y220 HydrophobicContact CG1-CD1 4.16Å; V174-Y220 HydrophobicContact CG1-CE1 4.03Å; V174-Y220 HydrophobicContact CG2-CD1 4.41Å; V174-Y220 HydrophobicContact CG2-CE1 4.03Å
175H87Confident92.5Very high61 Ų6148.7 Ų48.728%0.28225%0.247SC..  trans-81.8-29178.6-69.7-106.7000112.7L92 L95 Y123L92-H175 HydrophobicContact CD2-CB 3.92Å; L92-H175 WeakPolarHBondContact CD2-CE1 3.45Å; L92-H175 WeakPolarHBondContact CD2-ND1 3.46Å; L95-H175 WeakPolarHBondContact CD2-CE1 3.49Å; Y123-H175 WeakPolarHBondContact OH-CA 3.31Å; Y123-H175 VanDerWaalsContact OH-CG 3.31Å; Y123-H175 PolarHBondContact OH-ND1 2.96Å
176E78.4Confident92.5Very high71 Ų7146.4 Ų46.433%0.33224%0.236SC..SBendtrans-72.3152.3-178.6-58.8-59.9176.300111.5W72 K178W72-E176 PolarHBondContact NE1-OE1 2.94Å; E176-K178 PolarHBondContact O-N 2.89Å; E176-K178 VanDerWaalsContact O-N 3.11Å
177S77.7Confident92.3Very high110 Ų11053.7 Ų53.777%0.76926%0.264SS*.SBendtrans-63.5-18.2178.956.90000113.1R179S177-R179 PolarHBondContact O-N 3.02Å; S177-R179 PolarHBondContact O-NH1 3.31Å
178K86.9Confident92.2Very high119 Ų11955.1 Ų55.152%0.51727%0.272SS..  trans-74.1124.2179.1-171.4178.3179.1-175.80111.3E176E176-K178 PolarHBondContact O-N 2.89Å; E176-K178 VanDerWaalsContact O-N 3.11Å
179R93Very high92.1Very high63 Ų6355.7 Ų55.724%0.23828%0.276CS..  trans-77.9144.4173.3-58.8-68.2168.7-94-4.4110.8S177 L181 Y220 D222S177-R179 PolarHBondContact O-N 3.02Å; S177-R179 PolarHBondContact O-NH1 3.31Å; R179-L181 HydrophobicContact CB-CD2 3.85Å; R179-L181 HydrophobicContact CB-CG 4.24Å; R179-Y220 HydrophobicContact CB-CE1 4.49Å; R179-D222 IonicContact CZ-OD1 2.81Å; R179-D222 IonicContact CZ-OD2 3.99Å; R179-D222 IonicContact NH2-OD1 3.57Å; R179-D222 PolarHBondContact NH2-OD1 2.83Å; R179-D222 IonicContact NH2-OD2 3.42Å; R179-D222 PolarHBondContact NH2-OD2 2.84Å
180I94.6Very high92.2Very high19 Ų1955.7 Ų55.710%0.09728%0.276CS..  trans-88.1108.2170.7-51.2-56.8000107V174 Q185 Y218 Y220 A227 F229V174-I180 HydrophobicContact CG2-CG1 4.01Å; I180-Q185 HydrophobicContact CD1-CB 4.28Å; I180-Q185 HydrophobicContact CG2-CB 4.01Å; I180-Y218 HydrophobicContact CB-CD1 4.43Å; I180-Y218 HydrophobicContact CB-CD2 4.23Å; I180-Y218 HydrophobicContact CB-CG 4.11Å; I180-Y218 HydrophobicContact CG1-CD1 3.81Å; I180-Y218 HydrophobicContact CG1-CD2 4.5Å; I180-Y218 HydrophobicContact CG1-CE1 4.22Å; I180-Y218 HydrophobicContact CG1-CG 3.97Å; I180-Y218 HydrophobicContact CG2-CD2 4.05Å; I180-Y218 HydrophobicContact CG2-CE2 4.04Å; I180-Y218 HydrophobicContact CG2-CG 4.35Å; I180-Y220 PolarHBondContact N-OH 3.29Å; I180-Y220 PolarHBondContact O-OH 3.41Å; I180-A227 VanDerWaalsContact O-CB 3.24Å; I180-A227 WeakPolarHBondContact O-CB 3.4Å; I180-F229 HydrophobicContact CB-CE2 4.44Å; I180-F229 HydrophobicContact CG2-CE2 3.65Å; I180-F229 HydrophobicContact CG2-CZ 3.98Å
181L94Very high92.2Very high130 Ų13055.7 Ų55.768%0.68128%0.276SS*.  trans-107.6-24.2-174.8-57.2179.8000112.1R179R179-L181 HydrophobicContact CB-CD2 3.85Å; R179-L181 HydrophobicContact CB-CG 4.24Å
182T95.1Very high92.2Very high55 Ų5556.6 Ų56.634%0.33728%0.281SS..SBendtrans-132.2161.2-177.882.20000111.5E184 Q185T182-E184 VanDerWaalsContact C-N 3.28Å; T182-E184 WeakPolarHBondContact CB-OE2 3.24Å; T182-E184 PolarHBondContact O-N 3.27Å; T182-E184 PolarHBondContact OG1-OE2 2.66Å; T182-Q185 WeakPolarHBondContact O-CB 3.42Å; T182-Q185 PolarHBondContact O-N 3.14Å
183I92.8Very high92.4Very high34 Ų3454.2 Ų54.217%0.17427%0.27CS..SBendtrans-69.1-26.5179.3-166.7169.2000112.2Q185 A186 P190 L231 Y239I183-Q185 PolarHBondContact O-N 3.36Å; I183-A186 WeakPolarHBondContact O-CA 3.47Å; I183-A186 WeakPolarHBondContact O-CB 3.42Å; I183-A186 PolarHBondContact O-N 3.48Å; I183-P190 HydrophobicContact CD1-CG 4.19Å; I183-P190 HydrophobicContact CG1-CG 3.83Å; I183-L231 HydrophobicContact CD1-CD2 3.39Å; I183-Y239 HydrophobicContact CD1-CE2 3.71Å; I183-Y239 VanDerWaalsContact CD1-OH 3.27Å; I183-Y239 WeakPolarHBondContact CD1-OH 3.39Å; I183-Y239 WeakPolarHBondContact CG1-OH 3.42Å
184E91.2Very high92.5Very high137 Ų13752.6 Ų52.664%0.6426%0.26SS*.G310 helixtrans-66.9-30.8175.9-57.272.3-154.900111T182 A186 Y187T182-E184 VanDerWaalsContact C-N 3.28Å; T182-E184 WeakPolarHBondContact CB-OE2 3.24Å; T182-E184 PolarHBondContact O-N 3.27Å; T182-E184 PolarHBondContact OG1-OE2 2.66Å; E184-A186 PolarHBondContact O-N 2.98Å; E184-Y187 PolarHBondContact O-N 3.35Å
185Q91.6Very high92.6Very high44 Ų4451.7 Ų51.721%0.20626%0.255CS..G310 helixtrans-74.6-8.3173.4-62.7175.5-25.100112.7I180 T182 I183 Y187I180-Q185 HydrophobicContact CD1-CB 4.28Å; I180-Q185 HydrophobicContact CG2-CB 4.01Å; T182-Q185 WeakPolarHBondContact O-CB 3.42Å; T182-Q185 PolarHBondContact O-N 3.14Å; I183-Q185 PolarHBondContact O-N 3.36Å; Q185-Y187 VanDerWaalsContact C-N 3.28Å; Q185-Y187 WeakPolarHBondContact O-CD2 3.4Å; Q185-Y187 WeakPolarHBondContact O-CE2 3.36Å
186A92.3Very high93.2Very high1 Ų149.4 Ų49.41%0.00824%0.244CC..G310 helixtrans-80.4-617500000113.2I183 E184 D188 S189 P190 L216 Y218I183-A186 WeakPolarHBondContact O-CA 3.47Å; I183-A186 WeakPolarHBondContact O-CB 3.42Å; I183-A186 PolarHBondContact O-N 3.48Å; E184-A186 PolarHBondContact O-N 2.98Å; A186-D188 PolarHBondContact O-N 2.81Å; A186-S189 WeakPolarHBondContact O-CB 3.28Å; A186-S189 PolarHBondContact O-N 2.74Å; A186-S189 PolarHBondContact O-OG 3.13Å; A186-P190 HydrophobicContact CB-CG 4.12Å; A186-L216 HydrophobicContact CB-CD1 4Å; A186-Y218 WeakPolarHBondContact CA-OH 3.29Å; A186-Y218 HydrophobicContact CB-CE2 4.28Å; A186-Y218 WeakPolarHBondContact CB-OH 3.4Å
187Y91.2Very high94.1Very high158 Ų15846 Ų4662%0.6223%0.228SC*.THydrogen-bonded Turntrans49.3-125.2-179.9-59.5-81000112.2E184 Q185 S189 P190E184-Y187 PolarHBondContact O-N 3.35Å; Q185-Y187 VanDerWaalsContact C-N 3.28Å; Q185-Y187 WeakPolarHBondContact O-CD2 3.4Å; Q185-Y187 WeakPolarHBondContact O-CE2 3.36Å; Y187-S189 VanDerWaalsContact C-N 3.26Å; Y187-S189 PolarHBondContact O-N 3.38Å; Y187-P190 WeakPolarHBondContact O-CD 3.37Å
188D95.4Very high95Very high35 Ų3540.8 Ų40.819%0.18719%0.192CC..THydrogen-bonded Turntrans-80.62.6-179.2-74-21.5000113.6L57 A186 L191 Q192 R246L57-D188 HydrophobicContact CD1-CB 4.23Å; L57-D188 HydrophobicContact CD2-CB 3.99Å; A186-D188 PolarHBondContact O-N 2.81Å; D188-L191 HydrophobicContact CB-CD1 4.36Å; D188-L191 VanDerWaalsContact O-CB 3.31Å; D188-L191 WeakPolarHBondContact O-CB 3.49Å; D188-L191 PolarHBondContact O-N 3.19Å; D188-L191 VanDerWaalsContact OD1-CD1 3.25Å; D188-L191 WeakPolarHBondContact OD1-CD1 3.34Å; D188-Q192 PolarHBondContact O-N 3.06Å; D188-R246 IonicContact OD1-CZ 2.73Å; D188-R246 IonicContact OD1-NH2 2.84Å; D188-R246 PolarHBondContact OD1-NH2 3.43Å; D188-R246 IonicContact OD2-NH1 3.25Å; D188-R246 IonicContact OD2-NH2 3.82Å
189S96.6Very high95.3Very high12 Ų1235.1 Ų35.18%0.08417%0.167CC..Hα-helixtrans-62-40.9-179.3-44.50000113.4K172 A186 Y187 L191 Q192 V193 Y218K172-S189 WeakPolarHBondContact CE-OG 3.42Å; A186-S189 WeakPolarHBondContact O-CB 3.28Å; A186-S189 PolarHBondContact O-N 2.74Å; A186-S189 PolarHBondContact O-OG 3.13Å; Y187-S189 VanDerWaalsContact C-N 3.26Å; Y187-S189 PolarHBondContact O-N 3.38Å; S189-L191 VanDerWaalsContact C-N 3.34Å; S189-L191 PolarHBondContact O-N 3.08Å; S189-Q192 WeakPolarHBondContact O-CB 3.33Å; S189-Q192 PolarHBondContact O-N 3.23Å; S189-V193 PolarHBondContact O-N 3.11Å; S189-Y218 WeakPolarHBondContact CB-OH 3.41Å; S189-Y218 PolarHBondContact OG-OH 3Å
190P97.9Very high95.4Very high0 Ų033.6 Ų33.60%016%0.161CC..Hα-helixtrans-64.3-36.5173.8-18.130.6000113.2I183 A186 Y187 V193 A194 L216 L231 Y239I183-P190 HydrophobicContact CD1-CG 4.19Å; I183-P190 HydrophobicContact CG1-CG 3.83Å; A186-P190 HydrophobicContact CB-CG 4.12Å; Y187-P190 WeakPolarHBondContact O-CD 3.37Å; P190-V193 PolarHBondContact O-N 3.18Å; P190-A194 WeakPolarHBondContact O-CB 3.32Å; P190-A194 PolarHBondContact O-N 3.22Å; P190-L216 HydrophobicContact CB-CD1 4.34Å; P190-L216 HydrophobicContact CG-CD1 3.76Å; P190-L231 HydrophobicContact CB-CD1 4.1Å; P190-Y239 HydrophobicContact CB-CD1 3.68Å; P190-Y239 HydrophobicContact CB-CD2 3.45Å; P190-Y239 VanDerWaalsContact CB-CD2 3.45Å; P190-Y239 HydrophobicContact CB-CE1 3.59Å; P190-Y239 HydrophobicContact CB-CE2 3.37Å; P190-Y239 HydrophobicContact CB-CG 3.62Å; P190-Y239 VanDerWaalsContact CB-CZ 3.44Å; P190-Y239 HydrophobicContact CG-CE1 4.03Å; P190-Y239 HydrophobicContact CG-CE2 4.1Å
191L97.3Very high95.3Very high9 Ų932.7 Ų32.75%0.04716%0.157CC..Hα-helixtrans-60.7-45.9172.7-84.4158.4000111.1L57 D188 S189 V193 A194 A195 Y239 L242 W243L57-L191 HydrophobicContact CD2-CB 4.15Å; D188-L191 HydrophobicContact CB-CD1 4.36Å; D188-L191 VanDerWaalsContact O-CB 3.31Å; D188-L191 WeakPolarHBondContact O-CB 3.49Å; D188-L191 PolarHBondContact O-N 3.19Å; D188-L191 VanDerWaalsContact OD1-CD1 3.25Å; D188-L191 WeakPolarHBondContact OD1-CD1 3.34Å; S189-L191 VanDerWaalsContact C-N 3.34Å; S189-L191 PolarHBondContact O-N 3.08Å; L191-V193 PolarHBondContact O-N 3.3Å; L191-A194 PolarHBondContact O-N 3.28Å; L191-A195 WeakPolarHBondContact O-CB 3.29Å; L191-A195 PolarHBondContact O-N 3.21Å; L191-Y239 WeakPolarHBondContact CD2-O 3.41Å; L191-Y239 HydrophobicContact CG-CD1 4.42Å; L191-L242 HydrophobicContact CD2-CB 3.64Å; L191-W243 VanDerWaalsContact CD2-CA 3.49Å; L191-W243 HydrophobicContact CD2-CB 3.77Å
192Q98.1Very high94.9Very high27 Ų2726.9 Ų26.913%0.12613%0.126CC..Hα-helixtrans-58.2-46.3177.4-171.8-175.81.800111.4V53 L57 E170 D188 S189 A195 Y196V53-Q192 HydrophobicContact CG1-CB 4.45Å; V53-Q192 HydrophobicContact CG1-CG 4.01Å; L57-Q192 HydrophobicContact CD1-CB 4.01Å; L57-Q192 HydrophobicContact CD1-CG 4.38Å; E170-Q192 PolarHBondContact OE1-NE2 3.34Å; E170-Q192 PolarHBondContact OE1-OE1 3.11Å; E170-Q192 PolarHBondContact OE2-NE2 2.77Å; D188-Q192 PolarHBondContact O-N 3.06Å; S189-Q192 WeakPolarHBondContact O-CB 3.33Å; S189-Q192 PolarHBondContact O-N 3.23Å; Q192-A195 WeakPolarHBondContact O-CB 3.19Å; Q192-A195 PolarHBondContact O-N 2.99Å; Q192-Y196 HydrophobicContact CG-CD2 4.12Å; Q192-Y196 HydrophobicContact CG-CE2 3.41Å; Q192-Y196 VanDerWaalsContact CG-CE2 3.41Å; Q192-Y196 PolarHBondContact NE2-OH 3.23Å; Q192-Y196 VanDerWaalsContact O-CD2 3.3Å; Q192-Y196 WeakPolarHBondContact O-CD2 3.27Å; Q192-Y196 PolarHBondContact O-N 2.9Å
193V98.4Very high94.3Very high0 Ų025.8 Ų25.80%012%0.119CC..Hα-helixtrans-64.1-45176.2168.40000112L168 E170 S189 P190 L191 A195 Y196 I197 L216 L231 L236L168-V193 HydrophobicContact CD2-CB 4.46Å; L168-V193 HydrophobicContact CD2-CG1 4.04Å; L168-V193 HydrophobicContact CD2-CG2 4.3Å; E170-V193 HydrophobicContact CB-CG2 3.68Å; S189-V193 PolarHBondContact O-N 3.11Å; P190-V193 PolarHBondContact O-N 3.18Å; L191-V193 PolarHBondContact O-N 3.3Å; V193-A195 VanDerWaalsContact C-N 3.31Å; V193-A195 PolarHBondContact O-N 2.85Å; V193-Y196 PolarHBondContact O-N 2.92Å; V193-I197 HydrophobicContact CG1-CD1 3.72Å; V193-I197 HydrophobicContact CG1-CG1 4.35Å; V193-I197 WeakPolarHBondContact O-CG1 3.48Å; V193-I197 PolarHBondContact O-N 3.07Å; V193-L216 HydrophobicContact CB-CD2 4.45Å; V193-L216 HydrophobicContact CG2-CD2 3.41Å; V193-L216 VanDerWaalsContact CG2-CD2 3.41Å; V193-L216 HydrophobicContact CG2-CG 4.42Å; V193-L231 HydrophobicContact CB-CD1 4.12Å; V193-L231 HydrophobicContact CG1-CD1 3.89Å; V193-L236 HydrophobicContact CG1-CD2 4.35Å
194A98.2Very high94Very high0 Ų026.5 Ų26.50%012%0.12CC..Hα-helixtrans-60.7-41.6177.400000111.8I30 P190 L191 I197 G198I30-A194 HydrophobicContact CD1-CB 4.18Å; P190-A194 WeakPolarHBondContact O-CB 3.32Å; P190-A194 PolarHBondContact O-N 3.22Å; L191-A194 PolarHBondContact O-N 3.28Å; A194-I197 PolarHBondContact O-N 3.43Å; A194-G198 PolarHBondContact O-N 3.31Å
195A98Very high93.6Very high0 Ų024.7 Ų24.70%011%0.108CC..Hα-helixtrans-59.7-47.7174.600000111.8V53 Y150 L191 Q192 V193 I197 G198 A199 W243V53-A195 HydrophobicContact CG1-CB 3.9Å; V53-A195 HydrophobicContact CG2-CB 3.79Å; Y150-A195 HydrophobicContact CE2-CB 4.16Å; Y150-A195 WeakPolarHBondContact CE2-O 3.45Å; Y150-A195 PolarHBondContact OH-O 2.92Å; L191-A195 WeakPolarHBondContact O-CB 3.29Å; L191-A195 PolarHBondContact O-N 3.21Å; Q192-A195 WeakPolarHBondContact O-CB 3.19Å; Q192-A195 PolarHBondContact O-N 2.99Å; V193-A195 VanDerWaalsContact C-N 3.31Å; V193-A195 PolarHBondContact O-N 2.85Å; A195-I197 PolarHBondContact O-N 2.89Å; A195-G198 PolarHBondContact O-N 2.91Å; A195-A199 WeakPolarHBondContact O-CB 3.49Å; A195-A199 PolarHBondContact O-N 2.83Å; A195-W243 HydrophobicContact CB-CD2 3.54Å; A195-W243 HydrophobicContact CB-CE3 4.05Å; A195-W243 HydrophobicContact CB-CG 3.94Å; A195-W243 HydrophobicContact CB-CH2 4.17Å; A195-W243 HydrophobicContact CB-CZ2 3.68Å; A195-W243 HydrophobicContact CB-CZ3 4.36Å
196Y98.1Very high93.1Very high13 Ų1326.6 Ų26.65%0.05112%0.124CC..Hα-helixtrans-65.1-39.5178.4-63.7-34.8000112.8V53 R153 F154 L168 E170 Q192 V193 A199 Y200V53-Y196 HydrophobicContact CB-CD1 4.47Å; V53-Y196 HydrophobicContact CB-CE1 3.75Å; V53-Y196 HydrophobicContact CG1-CE1 4.11Å; V53-Y196 HydrophobicContact CG2-CD1 3.86Å; V53-Y196 HydrophobicContact CG2-CE1 3.58Å; R153-Y196 PolarHBondContact O-OH 2.92Å; F154-Y196 HydrophobicContact CB-CD1 4.36Å; F154-Y196 HydrophobicContact CB-CD2 3.59Å; F154-Y196 HydrophobicContact CB-CE2 4.1Å; F154-Y196 HydrophobicContact CB-CG 3.74Å; L168-Y196 HydrophobicContact CD2-CD2 4.26Å; E170-Y196 WeakPolarHBondContact OE2-CE2 3.48Å; Q192-Y196 HydrophobicContact CG-CD2 4.12Å; Q192-Y196 HydrophobicContact CG-CE2 3.41Å; Q192-Y196 VanDerWaalsContact CG-CE2 3.41Å; Q192-Y196 PolarHBondContact NE2-OH 3.23Å; Q192-Y196 VanDerWaalsContact O-CD2 3.3Å; Q192-Y196 WeakPolarHBondContact O-CD2 3.27Å; Q192-Y196 PolarHBondContact O-N 2.9Å; V193-Y196 PolarHBondContact O-N 2.92Å; Y196-A199 PolarHBondContact O-N 3.16Å; Y196-Y200 WeakPolarHBondContact O-CB 3.39Å; Y196-Y200 PolarHBondContact O-N 3.25Å
197I97.8Very high92.7Very high0 Ų033.2 Ų33.20%016%0.155CC..Hα-helixtrans-63.4-46.4177.1-69.8172.8000110.6I30 L168 V193 A194 A195 A199 Y200 N201 V211 L236I30-I197 HydrophobicContact CD1-CB 4.04Å; I30-I197 HydrophobicContact CD1-CG2 3.82Å; I30-I197 HydrophobicContact CG1-CB 4.35Å; I30-I197 HydrophobicContact CG1-CG2 3.95Å; L168-I197 HydrophobicContact CB-CD1 4.16Å; L168-I197 HydrophobicContact CB-CG1 3.72Å; L168-I197 HydrophobicContact CD1-CG1 3.94Å; L168-I197 HydrophobicContact CD2-CG1 4.36Å; L168-I197 HydrophobicContact CG-CG1 4.22Å; V193-I197 HydrophobicContact CG1-CD1 3.72Å; V193-I197 HydrophobicContact CG1-CG1 4.35Å; V193-I197 WeakPolarHBondContact O-CG1 3.48Å; V193-I197 PolarHBondContact O-N 3.07Å; A194-I197 PolarHBondContact O-N 3.43Å; A195-I197 PolarHBondContact O-N 2.89Å; I197-A199 PolarHBondContact O-N 3.2Å; I197-Y200 PolarHBondContact O-N 3.27Å; I197-N201 VanDerWaalsContact CG2-ND2 3.34Å; I197-N201 WeakPolarHBondContact CG2-ND2 3.42Å; I197-N201 VanDerWaalsContact O-CB 3.32Å; I197-N201 WeakPolarHBondContact O-CB 3.45Å; I197-N201 PolarHBondContact O-N 2.66Å; I197-N201 PolarHBondContact O-ND2 3.36Å; I197-V211 HydrophobicContact CD1-CG1 3.89Å; I197-V211 HydrophobicContact CG1-CG1 3.78Å; I197-V211 HydrophobicContact CG2-CB 4.26Å; I197-V211 HydrophobicContact CG2-CG1 4.19Å; I197-V211 WeakPolarHBondContact CG2-O 2.99Å; I197-L236 HydrophobicContact CD1-CD1 3.74Å; I197-L236 HydrophobicContact CD1-CD2 3.62Å; I197-L236 HydrophobicContact CD1-CG 4.35Å
198G95.7Very high92.6Very high1 Ų127.4 Ų27.41%0.0114%0.137CC..Hα-helixtrans-59.3-45.517700000112.4A194 A195 F202A194-G198 PolarHBondContact O-N 3.31Å; A195-G198 PolarHBondContact O-N 2.91Å; G198-F202 PolarHBondContact O-N 3.32Å
199A94.5Very high92.4Very high0 Ų029.5 Ų29.50%015%0.148CC..Hα-helixtrans-66-42.6176.500000113.3C143 H145 Y150 A195 Y196 I197 F202 T203C143-A199 HydrophobicContact CB-CB 3.79Å; H145-A199 HydrophobicContact CB-CB 4.07Å; Y150-A199 HydrophobicContact CE2-CB 3.75Å; Y150-A199 PolarHBondContact OH-N 2.84Å; A195-A199 WeakPolarHBondContact O-CB 3.49Å; A195-A199 PolarHBondContact O-N 2.83Å; Y196-A199 PolarHBondContact O-N 3.16Å; I197-A199 PolarHBondContact O-N 3.2Å; A199-F202 PolarHBondContact O-N 3.06Å; A199-T203 PolarHBondContact O-N 3.43Å; A199-T203 PolarHBondContact O-OG1 2.8Å
200Y93.9Very high92.2Very high30 Ų3030.9 Ų30.912%0.11816%0.156CC..Hα-helixtrans-65.7-48.8178.5175.3-97.5000111.3F154 I157 Y196 I197 F202 T203 R204 V211F154-Y200 AromaticContact CE1-CD2 3.81Å; F154-Y200 HydrophobicContact CE1-CD2 3.81Å; F154-Y200 HydrophobicContact CE1-CG 4.37Å; F154-Y200 AromaticContact CZ-CD2 3.77Å; F154-Y200 HydrophobicContact CZ-CD2 3.77Å; F154-Y200 HydrophobicContact CZ-CE2 4.21Å; F154-Y200 HydrophobicContact CZ-CG 4.5Å; I157-Y200 HydrophobicContact CD1-CD1 3.91Å; I157-Y200 HydrophobicContact CD1-CD2 3.79Å; I157-Y200 HydrophobicContact CD1-CE1 3.6Å; I157-Y200 HydrophobicContact CD1-CE2 3.46Å; I157-Y200 VanDerWaalsContact CD1-CE2 3.46Å; I157-Y200 HydrophobicContact CD1-CG 3.99Å; Y196-Y200 WeakPolarHBondContact O-CB 3.39Å; Y196-Y200 PolarHBondContact O-N 3.25Å; I197-Y200 PolarHBondContact O-N 3.27Å; Y200-F202 PolarHBondContact O-N 3.33Å; Y200-F202 VanDerWaalsContact O-N 3.14Å; Y200-T203 CarbonylContact O-C 3.4Å; Y200-T203 PolarHBondContact O-N 2.97Å; Y200-R204 HydrophobicContact CD1-CB 4.28Å; Y200-R204 HydrophobicContact CD2-CB 4.5Å; Y200-R204 HydrophobicContact CE1-CB 3.81Å; Y200-R204 HydrophobicContact CE2-CB 4.06Å; Y200-R204 WeakPolarHBondContact O-CA 3.19Å; Y200-R204 VanDerWaalsContact O-CB 3.28Å; Y200-R204 WeakPolarHBondContact O-CB 3.2Å; Y200-R204 PolarHBondContact O-N 3.15Å; Y200-V211 HydrophobicContact CD1-CB 4.32Å; Y200-V211 HydrophobicContact CD1-CG2 3.65Å; Y200-V211 HydrophobicContact CE1-CG2 3.56Å
201N93.8Very high92.2Very high1 Ų130.9 Ų30.91%0.00516%0.156CC..Hα-helixtrans-59.1-29.6179.6-79.8-25.9000113I30 D32 I197 R204 P210 V211I30-N201 PolarHBondContact O-ND2 2.98Å; D32-N201 CarbonylContact O-C 3.41Å; I197-N201 VanDerWaalsContact CG2-ND2 3.34Å; I197-N201 WeakPolarHBondContact CG2-ND2 3.42Å; I197-N201 VanDerWaalsContact O-CB 3.32Å; I197-N201 WeakPolarHBondContact O-CB 3.45Å; I197-N201 PolarHBondContact O-N 2.66Å; I197-N201 PolarHBondContact O-ND2 3.36Å; N201-R204 WeakPolarHBondContact O-CG 3.07Å; N201-P210 WeakPolarHBondContact OD1-CA 3.03Å; N201-V211 PolarHBondContact ND2-O 3.1Å; N201-V211 PolarHBondContact OD1-N 3.36Å
202F85.5Confident92.1Very high8 Ų834 Ų344%0.03517%0.17CC..Hα-helixtrans-72.3-42175-142.4-69.9000112.9D32 C37 H145 P146 Q147 G198 A199 Y200D32-F202 HydrophobicContact CB-CD2 4.46Å; D32-F202 HydrophobicContact CB-CE2 4.27Å; C37-F202 WeakPolarHBondContact SG-CE1 3.11Å; C37-F202 WeakPolarHBondContact SG-CZ 3.34Å; H145-F202 AromaticContact CE1-CD2 3.87Å; H145-F202 AromaticContact NE2-CD2 3.89Å; P146-F202 HydrophobicContact CB-CE1 4.43Å; P146-F202 VanDerWaalsContact CD-CD1 3.47Å; P146-F202 HydrophobicContact CG-CD1 3.11Å; P146-F202 HydrophobicContact CG-CD2 4.25Å; P146-F202 HydrophobicContact CG-CE1 3.15Å; P146-F202 HydrophobicContact CG-CE2 4.27Å; P146-F202 HydrophobicContact CG-CG 3.7Å; P146-F202 HydrophobicContact CG-CZ 3.78Å; Q147-F202 HydrophobicContact CG-CE2 4.23Å; Q147-F202 HydrophobicContact CG-CZ 4.19Å; Q147-F202 VanDerWaalsContact OE1-CE2 3.25Å; G198-F202 PolarHBondContact O-N 3.32Å; A199-F202 PolarHBondContact O-N 3.06Å; Y200-F202 PolarHBondContact O-N 3.33Å; Y200-F202 VanDerWaalsContact O-N 3.14Å
203T82.7Confident92.1Very high32 Ų3235.9 Ų35.920%0.19618%0.178CC..Hα-helixtrans-102.3-6.9-170.5520000115.1I13 F144 A199 Y200I13-T203 HydrophobicContact CD1-CG2 3.68Å; F144-T203 HydrophobicContact CB-CG2 4.5Å; F144-T203 HydrophobicContact CD1-CG2 4.46Å; F144-T203 WeakPolarHBondContact O-CG2 3.14Å; A199-T203 PolarHBondContact O-N 3.43Å; A199-T203 PolarHBondContact O-OG1 2.8Å; Y200-T203 CarbonylContact O-C 3.4Å; Y200-T203 PolarHBondContact O-N 2.97Å
204R85.6Confident92.1Very high49 Ų4935.9 Ų35.919%0.18518%0.178CC..SBendtrans-58.5156.1177.766.5176.6177.375.61.9110.8Y200 N201 P206 S208Y200-R204 HydrophobicContact CD1-CB 4.28Å; Y200-R204 HydrophobicContact CD2-CB 4.5Å; Y200-R204 HydrophobicContact CE1-CB 3.81Å; Y200-R204 HydrophobicContact CE2-CB 4.06Å; Y200-R204 WeakPolarHBondContact O-CA 3.19Å; Y200-R204 VanDerWaalsContact O-CB 3.28Å; Y200-R204 WeakPolarHBondContact O-CB 3.2Å; Y200-R204 PolarHBondContact O-N 3.15Å; N201-R204 WeakPolarHBondContact O-CG 3.07Å; R204-P206 PolarHBondContact NH1-O 3.48Å; R204-S208 PolarHBondContact NH1-O 2.91Å
205Y82.5Confident92Very high99 Ų9936.2 Ų36.239%0.38818%0.179SC..  trans-61.9141.2170.6-65.2-75.5000110.6E207 S208Y205-E207 WeakPolarHBondContact CB-OE1 3.47Å; Y205-E207 PolarHBondContact O-N 2.97Å; Y205-E207 VanDerWaalsContact O-N 3.15Å; Y205-S208 WeakPolarHBondContact O-CB 3.19Å; Y205-S208 PolarHBondContact O-N 3.22Å
206P80.9Confident92Very high84 Ų8436.3 Ų36.355%0.54518%0.18SC..THydrogen-bonded Turntrans-51.6-38.3-179.2-2935.4000113.9R204 S208R204-P206 PolarHBondContact NH1-O 3.48Å; P206-S208 VanDerWaalsContact C-N 3.35Å
207E85Confident92Very high140 Ų14035.7 Ų35.765%0.65418%0.177SC*.THydrogen-bonded Turntrans-74.2-17.8178.359.9-86.6-166.100114.5Y205Y205-E207 WeakPolarHBondContact CB-OE1 3.47Å; Y205-E207 PolarHBondContact O-N 2.97Å; Y205-E207 VanDerWaalsContact O-N 3.15Å
208S88.1Confident92Very high35 Ų3536.1 Ų36.125%0.24518%0.179CC..SBendtrans-76.4138.1177.3-630000110.7R204 Y205 P206R204-S208 PolarHBondContact NH1-O 2.91Å; Y205-S208 WeakPolarHBondContact O-CB 3.19Å; Y205-S208 PolarHBondContact O-N 3.22Å; P206-S208 VanDerWaalsContact C-N 3.35Å
209L91.9Very high92.1Very high79 Ų7936.1 Ų36.141%0.41418%0.179SC..PPolyproline II helixtrans-60.2141.3175.9-68.6174000111.4F159 N164 P166F159-L209 HydrophobicContact CE1-CD1 4.48Å; N164-L209 WeakPolarHBondContact O-CD1 3.12Å; P166-L209 HydrophobicContact CG-CB 3.82Å
210P93.2Very high92.1Very high41 Ų4136.3 Ų36.327%0.26618%0.18SC..PPolyproline II helixtrans-65.7142171.529.1-34000110.2P166 N201P166-P210 WeakPolarHBondContact CG-O 3.25Å; N201-P210 WeakPolarHBondContact OD1-CA 3.03Å
211V96.1Very high92.2Very high0 Ų036.5 Ų36.50%019%0.191CC..PPolyproline II helixtrans-83.1120.9172.31770000108.8I157 P166 L168 I197 Y200 N201 K213I157-V211 HydrophobicContact CD1-CG2 4.06Å; I157-V211 HydrophobicContact CG1-CG2 4.42Å; P166-V211 HydrophobicContact CB-CG2 4.01Å; P166-V211 HydrophobicContact CG-CG2 4.06Å; L168-V211 HydrophobicContact CB-CG1 3.85Å; I197-V211 HydrophobicContact CD1-CG1 3.89Å; I197-V211 HydrophobicContact CG1-CG1 3.78Å; I197-V211 HydrophobicContact CG2-CB 4.26Å; I197-V211 HydrophobicContact CG2-CG1 4.19Å; I197-V211 WeakPolarHBondContact CG2-O 2.99Å; Y200-V211 HydrophobicContact CD1-CB 4.32Å; Y200-V211 HydrophobicContact CD1-CG2 3.65Å; Y200-V211 HydrophobicContact CE1-CG2 3.56Å; N201-V211 PolarHBondContact ND2-O 3.1Å; N201-V211 PolarHBondContact OD1-N 3.36Å; V211-K213 WeakPolarHBondContact CG1-O 3.34Å
212K96.7Very high92.1Very high76 Ų7640.5 Ų40.533%0.3321%0.212SC..  trans-119.83.9179.2-65.2-174.6167.2-158.90113.8F31 E233 L236F31-K212 HydrophobicContact CD1-CG 4.11Å; F31-K212 HydrophobicContact CE1-CB 4.22Å; F31-K212 HydrophobicContact CE1-CG 4Å; K212-E233 HydrophobicContact CB-CG 4.17Å; K212-E233 WeakPolarHBondContact CD-OE1 3.23Å; K212-E233 IonicContact NZ-OE1 3.25Å; K212-L236 VanDerWaalsContact O-CD1 3.25Å; K212-L236 WeakPolarHBondContact O-CD1 3.39Å
213K97.5Very high92.5Very high66 Ų6640.7 Ų40.729%0.28722%0.217SC..EExtended strand (participates in β ladder)trans-135.4142.1177.2-74.9179.9-176.81650111E165 I167 L168 V211 L231E165-K213 VanDerWaalsContact CD-CE 3.49Å; E165-K213 WeakPolarHBondContact OE1-CD 3.43Å; E165-K213 WeakPolarHBondContact OE1-CE 3.42Å; E165-K213 WeakPolarHBondContact OE1-CG 3.38Å; E165-K213 IonicContact OE1-NZ 3.06Å; E165-K213 PolarHBondContact OE1-NZ 3.04Å; E165-K213 VanDerWaalsContact OE2-CE 3.26Å; E165-K213 WeakPolarHBondContact OE2-CE 3.49Å; E165-K213 IonicContact OE2-NZ 3.89Å; E165-K213 PolarHBondContact OE2-NZ 2.66Å; I167-K213 WeakPolarHBondContact CA-O 3.39Å; I167-K213 HydrophobicContact CB-CB 4.48Å; I167-K213 HydrophobicContact CG1-CB 4.06Å; I167-K213 HydrophobicContact CG2-CB 4.21Å; L168-K213 PolarHBondContact N-O 3Å; L168-K213 VanDerWaalsContact N-O 3.08Å; V211-K213 WeakPolarHBondContact CG1-O 3.34Å; K213-L231 WeakPolarHBondContact CA-O 3.44Å
214G97.8Very high93.1Very high0 Ų045.7 Ų45.70%023%0.233CC..EExtended strand (participates in β ladder)trans-109.8157.2168.600000110.9L168 V230 L231L168-G214 CarbonylContact O-C 3.51Å; L168-G214 VanDerWaalsContact O-CA 3.29Å; L168-G214 WeakPolarHBondContact O-CA 3.38Å; G214-V230 CarbonylContact O-C 3.57Å; G214-V230 WeakPolarHBondContact O-CA 3.47Å; G214-L231 PolarHBondContact N-O 2.91Å; G214-L231 PolarHBondContact O-N 2.85Å
215M97.4Very high93.5Very high7 Ų746.5 Ų46.53%0.03425%0.245CC..EExtended strand (participates in β ladder)trans-141.9122.7168.8179172.463.400110.9L134 V158 I167 L168 T169 E170 W171 V217 F229 V230L134-M215 HydrophobicContact CD1-CE 4.07Å; L134-M215 HydrophobicContact CD2-CE 4.33Å; V158-M215 HydrophobicContact CG2-CE 4.2Å; I167-M215 HydrophobicContact CG2-CB 3.65Å; L168-M215 PolarHBondContact O-N 3.36Å; T169-M215 VanDerWaalsContact CA-O 3.26Å; T169-M215 WeakPolarHBondContact CA-O 3.38Å; T169-M215 HydrophobicContact CG2-CB 4.28Å; T169-M215 HydrophobicContact CG2-CE 3.55Å; E170-M215 PolarHBondContact N-O 3.38Å; W171-M215 HydrophobicContact CH2-CE 4.34Å; M215-V217 HydrophobicContact CE-CG2 4.19Å; M215-V217 HydrophobicContact CG-CG2 3.82Å; M215-V217 HydrophobicContact SD-CG2 4.18Å; M215-F229 CarbonylContact C-O 3.6Å; M215-F229 WeakPolarHBondContact CA-O 3.45Å; M215-V230 HydrophobicContact CG-CG2 4.44Å; M215-V230 HydrophobicContact SD-CG2 4.48Å
216L98.1Very high94.2Very high1 Ų142.6 Ų42.61%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-94.9132171.7-59.5174.5000108.9E170 A186 P190 V193 Y218 R228 F229E170-L216 HydrophobicContact CB-CD2 3.85Å; E170-L216 HydrophobicContact CG-CD2 4.31Å; A186-L216 HydrophobicContact CB-CD1 4Å; P190-L216 HydrophobicContact CB-CD1 4.34Å; P190-L216 HydrophobicContact CG-CD1 3.76Å; V193-L216 HydrophobicContact CB-CD2 4.45Å; V193-L216 HydrophobicContact CG2-CD2 3.41Å; V193-L216 VanDerWaalsContact CG2-CD2 3.41Å; V193-L216 HydrophobicContact CG2-CG 4.42Å; L216-Y218 HydrophobicContact CB-CE2 3.88Å; L216-R228 CarbonylContact O-C 3.58Å; L216-R228 WeakPolarHBondContact O-CA 3.43Å; L216-F229 HydrophobicContact CB-CB 4.31Å; L216-F229 HydrophobicContact CB-CD2 4.41Å; L216-F229 PolarHBondContact N-O 3.37Å; L216-F229 PolarHBondContact O-N 3.23Å
217V97.5Very high95Very high0 Ų039.4 Ų39.40%021%0.214CC..EExtended strand (participates in β ladder)trans-129.4123.6178-174.10000110.6L127 I130 E170 W171 K172 M215 A226 A227L127-V217 HydrophobicContact CD2-CG1 3.42Å; L127-V217 VanDerWaalsContact CD2-CG1 3.42Å; I130-V217 HydrophobicContact CD1-CG1 3.58Å; I130-V217 HydrophobicContact CG2-CG2 4.49Å; E170-V217 PolarHBondContact O-N 3.22Å; W171-V217 CarbonylContact C-O 3.59Å; W171-V217 HydrophobicContact CD2-CB 4.43Å; W171-V217 HydrophobicContact CE3-CB 3.49Å; W171-V217 VanDerWaalsContact CE3-CB 3.49Å; W171-V217 HydrophobicContact CE3-CG1 3.75Å; W171-V217 HydrophobicContact CE3-CG2 3.78Å; W171-V217 HydrophobicContact CH2-CG2 4.24Å; W171-V217 HydrophobicContact CZ3-CB 3.73Å; W171-V217 HydrophobicContact CZ3-CG1 3.8Å; W171-V217 HydrophobicContact CZ3-CG2 3.54Å; K172-V217 PolarHBondContact N-O 2.85Å; M215-V217 HydrophobicContact CE-CG2 4.19Å; M215-V217 HydrophobicContact CG-CG2 3.82Å; M215-V217 HydrophobicContact SD-CG2 4.18Å; V217-A226 HydrophobicContact CG1-CB 4.04Å; V217-A227 CarbonylContact C-O 3.52Å; V217-A227 WeakPolarHBondContact CA-O 3.31Å
218Y97.5Very high95.5Very high9 Ų940.3 Ų40.34%0.03521%0.211CC..EExtended strand (participates in β ladder)trans-111.8114.1-179.5-65.1-89.9000110.2K172 V174 I180 A186 S189 L216 A226 A227 F229K172-Y218 HydrophobicContact CB-CD1 3.76Å; K172-Y218 HydrophobicContact CB-CE1 3.87Å; K172-Y218 HydrophobicContact CD-CD1 4.49Å; K172-Y218 HydrophobicContact CD-CE1 3.73Å; K172-Y218 HydrophobicContact CG-CE1 4.24Å; V174-Y218 HydrophobicContact CG2-CD1 3.58Å; V174-Y218 HydrophobicContact CG2-CG 4.18Å; I180-Y218 HydrophobicContact CB-CD1 4.43Å; I180-Y218 HydrophobicContact CB-CD2 4.23Å; I180-Y218 HydrophobicContact CB-CG 4.11Å; I180-Y218 HydrophobicContact CG1-CD1 3.81Å; I180-Y218 HydrophobicContact CG1-CD2 4.5Å; I180-Y218 HydrophobicContact CG1-CE1 4.22Å; I180-Y218 HydrophobicContact CG1-CG 3.97Å; I180-Y218 HydrophobicContact CG2-CD2 4.05Å; I180-Y218 HydrophobicContact CG2-CE2 4.04Å; I180-Y218 HydrophobicContact CG2-CG 4.35Å; A186-Y218 WeakPolarHBondContact CA-OH 3.29Å; A186-Y218 HydrophobicContact CB-CE2 4.28Å; A186-Y218 WeakPolarHBondContact CB-OH 3.4Å; S189-Y218 WeakPolarHBondContact CB-OH 3.41Å; S189-Y218 PolarHBondContact OG-OH 3Å; L216-Y218 HydrophobicContact CB-CE2 3.88Å; Y218-A226 CarbonylContact O-C 3.51Å; Y218-A226 WeakPolarHBondContact O-CA 3.5Å; Y218-A226 WeakPolarHBondContact O-CB 3.24Å; Y218-A227 PolarHBondContact N-O 3.2Å; Y218-A227 PolarHBondContact O-N 3.3Å; Y218-F229 HydrophobicContact CD2-CD2 4.02Å; Y218-F229 AromaticContact CD2-CE2 3.84Å; Y218-F229 HydrophobicContact CD2-CE2 3.84Å; Y218-F229 AromaticContact CE2-CD2 3.88Å; Y218-F229 HydrophobicContact CE2-CD2 3.88Å; Y218-F229 AromaticContact CE2-CE2 3.94Å; Y218-F229 HydrophobicContact CE2-CE2 3.94Å
219S97Very high95.9Very high2 Ų240.3 Ų40.31%0.01421%0.207CC..EExtended strand (participates in β ladder)trans-94.9147.4177.859.40000111.6Y123 K172 V174Y123-S219 WeakPolarHBondContact CD1-O 3.48Å; Y123-S219 WeakPolarHBondContact CD1-OG 3.45Å; Y123-S219 WeakPolarHBondContact CE1-O 3.35Å; K172-S219 PolarHBondContact O-N 2.61Å; K172-S219 PolarHBondContact O-OG 2.97Å; V174-S219 PolarHBondContact N-O 3.48Å
220Y96.3Very high96.1Very high3 Ų340.2 Ų40.21%0.01221%0.209CC..EExtended strand (participates in β ladder)trans-119.4140-173.3-56.6-68.1000112.3Y123 S126 V174 R179 I180 D222 G223 Y224 P225 A227Y123-Y220 VanDerWaalsContact CD1-C 3.49Å; S126-Y220 PolarHBondContact OG-N 3.37Å; S126-Y220 VanDerWaalsContact OG-N 3.09Å; V174-Y220 HydrophobicContact CB-CD1 3.77Å; V174-Y220 HydrophobicContact CB-CE1 3.8Å; V174-Y220 HydrophobicContact CG1-CD1 4.16Å; V174-Y220 HydrophobicContact CG1-CE1 4.03Å; V174-Y220 HydrophobicContact CG2-CD1 4.41Å; V174-Y220 HydrophobicContact CG2-CE1 4.03Å; R179-Y220 HydrophobicContact CB-CE1 4.49Å; I180-Y220 PolarHBondContact N-OH 3.29Å; I180-Y220 PolarHBondContact O-OH 3.41Å; Y220-D222 VanDerWaalsContact CB-OD1 3.31Å; Y220-D222 WeakPolarHBondContact CB-OD1 3.47Å; Y220-D222 PolarHBondContact O-N 2.94Å; Y220-G223 PolarHBondContact O-N 3.29Å; Y220-Y224 HydrophobicContact CD2-CD1 4.04Å; Y220-Y224 HydrophobicContact CE2-CD1 4.22Å; Y220-P225 WeakPolarHBondContact CE2-O 3.13Å; Y220-A227 HydrophobicContact CE2-CB 4.37Å; Y220-A227 WeakPolarHBondContact OH-CB 3.11Å
221G94.4Very high96.4Very high34 Ų3438.3 Ų38.335%0.35120%0.197SC..THydrogen-bonded Turntrans-72.7-5.7-175.700000115.7K122K122-G221 WeakPolarHBondContact CB-O 3.38Å
222D93.3Very high96.4Very high85 Ų8541.8 Ų41.846%0.45522%0.215SC..THydrogen-bonded Turntrans-97.3-0.9174.168.1-20.7000113.1R179 Y220 Y224R179-D222 IonicContact CZ-OD1 2.81Å; R179-D222 IonicContact CZ-OD2 3.99Å; R179-D222 IonicContact NH2-OD1 3.57Å; R179-D222 PolarHBondContact NH2-OD1 2.83Å; R179-D222 IonicContact NH2-OD2 3.42Å; R179-D222 PolarHBondContact NH2-OD2 2.84Å; Y220-D222 VanDerWaalsContact CB-OD1 3.31Å; Y220-D222 WeakPolarHBondContact CB-OD1 3.47Å; Y220-D222 PolarHBondContact O-N 2.94Å; D222-Y224 VanDerWaalsContact C-N 3.29Å; D222-Y224 WeakPolarHBondContact OD1-CB 3.5Å; D222-Y224 PolarHBondContact OD1-N 3.23Å
223G93.3Very high96.4Very high13 Ų1342.2 Ų42.213%0.13422%0.218CC..  trans81.33.1-175.900000114.4K122 Y220K122-G223 WeakPolarHBondContact O-CA 3.13Å; Y220-G223 PolarHBondContact O-N 3.29Å
224Y94.4Very high96.4Very high136 Ų13644.1 Ų44.153%0.53324%0.236SC..PPolyproline II helixtrans-57.2141.1174.6-171.5-92.9000110.4S126 Y220 D222 A226S126-Y224 WeakPolarHBondContact CA-O 3.46Å; S126-Y224 WeakPolarHBondContact CB-O 3.31Å; S126-Y224 PolarHBondContact OG-O 2.58Å; Y220-Y224 HydrophobicContact CD2-CD1 4.04Å; Y220-Y224 HydrophobicContact CE2-CD1 4.22Å; D222-Y224 VanDerWaalsContact C-N 3.29Å; D222-Y224 WeakPolarHBondContact OD1-CB 3.5Å; D222-Y224 PolarHBondContact OD1-N 3.23Å; Y224-A226 PolarHBondContact O-N 2.99Å
225P95.6Very high96.4Very high67 Ų6746.5 Ų46.544%0.43525%0.249SC..PPolyproline II helixtrans-51.1130.2-178.8-29.736.1000113.3Y220Y220-P225 WeakPolarHBondContact CE2-O 3.13Å
226A96.8Very high96.4Very high16 Ų1646.2 Ų46.213%0.13225%0.247CC..PPolyproline II helixtrans-60141.8-177.500000112.1S126 L127 I130 V217 Y218 Y224S126-A226 VanDerWaalsContact O-CB 3.29Å; S126-A226 WeakPolarHBondContact O-CB 3.43Å; S126-A226 PolarHBondContact O-N 2.71Å; S126-A226 WeakPolarHBondContact OG-CA 3.41Å; S126-A226 PolarHBondContact OG-N 3.09Å; L127-A226 HydrophobicContact CD2-CB 3.89Å; I130-A226 HydrophobicContact CD1-CB 3.73Å; V217-A226 HydrophobicContact CG1-CB 4.04Å; Y218-A226 CarbonylContact O-C 3.51Å; Y218-A226 WeakPolarHBondContact O-CA 3.5Å; Y218-A226 WeakPolarHBondContact O-CB 3.24Å; Y224-A226 PolarHBondContact O-N 2.99Å
227A96.2Very high96.3Very high18 Ų1850.2 Ų50.215%0.14927%0.268CS..EExtended strand (participates in β ladder)trans-78.8140.517100000109.7I180 V217 Y218 Y220 F229I180-A227 VanDerWaalsContact O-CB 3.24Å; I180-A227 WeakPolarHBondContact O-CB 3.4Å; V217-A227 CarbonylContact C-O 3.52Å; V217-A227 WeakPolarHBondContact CA-O 3.31Å; Y218-A227 PolarHBondContact N-O 3.2Å; Y218-A227 PolarHBondContact O-N 3.3Å; Y220-A227 HydrophobicContact CE2-CB 4.37Å; Y220-A227 WeakPolarHBondContact OH-CB 3.11Å; A227-F229 HydrophobicContact CB-CE2 4.02Å; A227-F229 HydrophobicContact CB-CZ 4.26Å
228R95.8Very high96.3Very high158 Ų15854.8 Ų54.860%0.59629%0.289SS*.EExtended strand (participates in β ladder)trans-127.8133.517672-177.6-177.9-164.5-1.8110.7I130 L216I130-R228 HydrophobicContact CD1-CB 3.95Å; L216-R228 CarbonylContact O-C 3.58Å; L216-R228 WeakPolarHBondContact O-CA 3.43Å
229F97.3Very high96.3Very high36 Ų3655.9 Ų55.916%0.15829%0.294CS..EExtended strand (participates in β ladder)trans-125.6116.5173.4-54.2-81.2000108.8I180 M215 L216 Y218 A227I180-F229 HydrophobicContact CB-CE2 4.44Å; I180-F229 HydrophobicContact CG2-CE2 3.65Å; I180-F229 HydrophobicContact CG2-CZ 3.98Å; M215-F229 CarbonylContact C-O 3.6Å; M215-F229 WeakPolarHBondContact CA-O 3.45Å; L216-F229 HydrophobicContact CB-CB 4.31Å; L216-F229 HydrophobicContact CB-CD2 4.41Å; L216-F229 PolarHBondContact N-O 3.37Å; L216-F229 PolarHBondContact O-N 3.23Å; Y218-F229 HydrophobicContact CD2-CD2 4.02Å; Y218-F229 AromaticContact CD2-CE2 3.84Å; Y218-F229 HydrophobicContact CD2-CE2 3.84Å; Y218-F229 AromaticContact CE2-CD2 3.88Å; Y218-F229 HydrophobicContact CE2-CD2 3.88Å; Y218-F229 AromaticContact CE2-CE2 3.94Å; Y218-F229 HydrophobicContact CE2-CE2 3.94Å; A227-F229 HydrophobicContact CB-CE2 4.02Å; A227-F229 HydrophobicContact CB-CZ 4.26Å
230V96.7Very high96.3Very high77 Ų7756.2 Ų56.247%0.46729%0.294SS..EExtended strand (participates in β ladder)trans-90.8124.9175.8179.20000108.4G214 M215G214-V230 CarbonylContact O-C 3.57Å; G214-V230 WeakPolarHBondContact O-CA 3.47Å; M215-V230 HydrophobicContact CG-CG2 4.44Å; M215-V230 HydrophobicContact SD-CG2 4.48Å
231L98Very high96.3Very high0 Ų060.2 Ų60.20%031%0.313CS..EExtended strand (participates in β ladder)trans-93.7112.5175.3-51.9-177.9000108.2I183 P190 V193 K213 G214 N235 L236 Y239I183-L231 HydrophobicContact CD1-CD2 3.39Å; P190-L231 HydrophobicContact CB-CD1 4.1Å; V193-L231 HydrophobicContact CB-CD1 4.12Å; V193-L231 HydrophobicContact CG1-CD1 3.89Å; K213-L231 WeakPolarHBondContact CA-O 3.44Å; G214-L231 PolarHBondContact N-O 2.91Å; G214-L231 PolarHBondContact O-N 2.85Å; L231-N235 HydrophobicContact CB-CB 4.08Å; L231-N235 HydrophobicContact CD2-CB 4.24Å; L231-L236 HydrophobicContact CB-CD2 3.82Å; L231-L236 HydrophobicContact CB-CG 4.15Å; L231-L236 HydrophobicContact CD1-CD2 4.07Å; L231-Y239 HydrophobicContact CD2-CE2 4.39Å
232N96.8Very high96.3Very high74 Ų7461.1 Ų61.140%0.39631%0.31SS..  trans-80.3177.1172.767.132000111.1T234 N235 L236N232-T234 VanDerWaalsContact C-N 3.27Å; N232-T234 PolarHBondContact O-N 2.98Å; N232-T234 WeakPolarHBondContact OD1-CA 3.21Å; N232-T234 WeakPolarHBondContact OD1-CB 3.46Å; N232-T234 PolarHBondContact OD1-N 3.46Å; N232-N235 VanDerWaalsContact CG-OD1 3.23Å; N232-N235 PolarHBondContact N-OD1 3.01Å; N232-N235 VanDerWaalsContact N-OD1 3.12Å; N232-N235 PolarHBondContact O-N 3.35Å; N232-N235 VanDerWaalsContact O-N 3.11Å; N232-N235 PolarHBondContact OD1-N 3.25Å; N232-N235 PolarHBondContact OD1-OD1 3.19Å; N232-N235 VanDerWaalsContact OD1-OD1 3.06Å; N232-L236 WeakPolarHBondContact O-CG 3.49Å; N232-L236 PolarHBondContact O-N 3.37Å
233E96.6Very high96.5Very high84 Ų8457.1 Ų57.139%0.39329%0.288SS..Hα-helixtrans-54.8-40.5180-66.5-170.3-152.200113F31 K212 L236 L237F31-E233 HydrophobicContact CZ-CB 4.33Å; F31-E233 HydrophobicContact CZ-CG 4.1Å; K212-E233 HydrophobicContact CB-CG 4.17Å; K212-E233 WeakPolarHBondContact CD-OE1 3.23Å; K212-E233 IonicContact NZ-OE1 3.25Å; E233-L236 PolarHBondContact O-N 3.25Å; E233-L237 WeakPolarHBondContact O-CB 3.4Å; E233-L237 VanDerWaalsContact O-CG 3.27Å; E233-L237 WeakPolarHBondContact O-CG 3.39Å; E233-L237 PolarHBondContact O-N 3.44Å
234T97.2Very high96.6Very high107 Ų10758.1 Ų58.166%0.65629%0.293SS*.Hα-helixtrans-62.8-45.1177.5-53.30000111.7N232 L236 L237 H238N232-T234 VanDerWaalsContact C-N 3.27Å; N232-T234 PolarHBondContact O-N 2.98Å; N232-T234 WeakPolarHBondContact OD1-CA 3.21Å; N232-T234 WeakPolarHBondContact OD1-CB 3.46Å; N232-T234 PolarHBondContact OD1-N 3.46Å; T234-L236 VanDerWaalsContact C-N 3.34Å; T234-L237 PolarHBondContact O-N 3.42Å; T234-H238 PolarHBondContact O-N 3.36Å; T234-H238 VanDerWaalsContact O-N 3.16Å
235N97.6Very high96.7Very high50 Ų5056.9 Ų56.927%0.26729%0.292SS..Hα-helixtrans-62-45175.5-56.8130.5000110.8L231 N232 L237 H238 Y239L231-N235 HydrophobicContact CB-CB 4.08Å; L231-N235 HydrophobicContact CD2-CB 4.24Å; N232-N235 VanDerWaalsContact CG-OD1 3.23Å; N232-N235 PolarHBondContact N-OD1 3.01Å; N232-N235 VanDerWaalsContact N-OD1 3.12Å; N232-N235 PolarHBondContact O-N 3.35Å; N232-N235 VanDerWaalsContact O-N 3.11Å; N232-N235 PolarHBondContact OD1-N 3.25Å; N232-N235 PolarHBondContact OD1-OD1 3.19Å; N232-N235 VanDerWaalsContact OD1-OD1 3.06Å; N235-L237 PolarHBondContact O-N 2.92Å; N235-H238 PolarHBondContact O-N 2.86Å; N235-Y239 HydrophobicContact CB-CD2 4.39Å; N235-Y239 HydrophobicContact CB-CE2 4.34Å; N235-Y239 WeakPolarHBondContact O-CD2 3.14Å; N235-Y239 PolarHBondContact O-N 3.43Å
236L98.2Very high96.7Very high0 Ų055.4 Ų55.40%028%0.278CS..Hα-helixtrans-63.5-41.8-178.9-70.5-178.6000112.4I30 F31 V193 I197 K212 L231 N232 E233 T234 H238 Y239 W240I30-L236 HydrophobicContact CD1-CB 3.92Å; I30-L236 HydrophobicContact CD1-CD2 4.46Å; F31-L236 HydrophobicContact CE1-CD1 4.38Å; F31-L236 HydrophobicContact CZ-CD1 4.46Å; V193-L236 HydrophobicContact CG1-CD2 4.35Å; I197-L236 HydrophobicContact CD1-CD1 3.74Å; I197-L236 HydrophobicContact CD1-CD2 3.62Å; I197-L236 HydrophobicContact CD1-CG 4.35Å; K212-L236 VanDerWaalsContact O-CD1 3.25Å; K212-L236 WeakPolarHBondContact O-CD1 3.39Å; L231-L236 HydrophobicContact CB-CD2 3.82Å; L231-L236 HydrophobicContact CB-CG 4.15Å; L231-L236 HydrophobicContact CD1-CD2 4.07Å; N232-L236 WeakPolarHBondContact O-CG 3.49Å; N232-L236 PolarHBondContact O-N 3.37Å; E233-L236 PolarHBondContact O-N 3.25Å; T234-L236 VanDerWaalsContact C-N 3.34Å; L236-H238 VanDerWaalsContact C-N 3.33Å; L236-H238 PolarHBondContact O-N 3.39Å; L236-Y239 PolarHBondContact O-N 2.93Å; L236-W240 WeakPolarHBondContact O-CB 3.36Å; L236-W240 PolarHBondContact O-N 3.46Å
237L96.5Very high96.6Very high85 Ų8554.9 Ų54.945%0.44527%0.273SS..Hα-helixtrans-61.8-42.1175.6-72.7170000111.7I30 F31 E233 T234 N235 W240 E241I30-L237 HydrophobicContact CG2-CD2 4.09Å; F31-L237 HydrophobicContact CE2-CD2 4.12Å; F31-L237 HydrophobicContact CE2-CG 4.35Å; E233-L237 WeakPolarHBondContact O-CB 3.4Å; E233-L237 VanDerWaalsContact O-CG 3.27Å; E233-L237 WeakPolarHBondContact O-CG 3.39Å; E233-L237 PolarHBondContact O-N 3.44Å; T234-L237 PolarHBondContact O-N 3.42Å; N235-L237 PolarHBondContact O-N 2.92Å; L237-W240 PolarHBondContact O-N 3.49Å; L237-E241 PolarHBondContact O-N 2.96Å; L237-E241 VanDerWaalsContact O-N 3.16Å
238H96.4Very high96.5Very high97 Ų9760.6 Ų60.645%0.44930%0.295SS..Hα-helixtrans-62.5-52.7176.1172.565000112.1T234 N235 L236 W240 E241 L242T234-H238 PolarHBondContact O-N 3.36Å; T234-H238 VanDerWaalsContact O-N 3.16Å; N235-H238 PolarHBondContact O-N 2.86Å; L236-H238 VanDerWaalsContact C-N 3.33Å; L236-H238 PolarHBondContact O-N 3.39Å; H238-W240 VanDerWaalsContact C-N 3.27Å; H238-W240 PolarHBondContact O-N 2.99Å; H238-E241 PolarHBondContact O-N 3.34Å; H238-L242 PolarHBondContact O-N 2.92Å
239Y97.6Very high96.4Very high32 Ų3256 Ų5613%0.12528%0.284CS..Hα-helixtrans-69-26.1-179.9-69.5-62.1000112.9I183 P190 L191 L231 N235 L236 L242 W243I183-Y239 HydrophobicContact CD1-CE2 3.71Å; I183-Y239 VanDerWaalsContact CD1-OH 3.27Å; I183-Y239 WeakPolarHBondContact CD1-OH 3.39Å; I183-Y239 WeakPolarHBondContact CG1-OH 3.42Å; P190-Y239 HydrophobicContact CB-CD1 3.68Å; P190-Y239 HydrophobicContact CB-CD2 3.45Å; P190-Y239 VanDerWaalsContact CB-CD2 3.45Å; P190-Y239 HydrophobicContact CB-CE1 3.59Å; P190-Y239 HydrophobicContact CB-CE2 3.37Å; P190-Y239 HydrophobicContact CB-CG 3.62Å; P190-Y239 VanDerWaalsContact CB-CZ 3.44Å; P190-Y239 HydrophobicContact CG-CE1 4.03Å; P190-Y239 HydrophobicContact CG-CE2 4.1Å; L191-Y239 WeakPolarHBondContact CD2-O 3.41Å; L191-Y239 HydrophobicContact CG-CD1 4.42Å; L231-Y239 HydrophobicContact CD2-CE2 4.39Å; N235-Y239 HydrophobicContact CB-CD2 4.39Å; N235-Y239 HydrophobicContact CB-CE2 4.34Å; N235-Y239 WeakPolarHBondContact O-CD2 3.14Å; N235-Y239 PolarHBondContact O-N 3.43Å; L236-Y239 PolarHBondContact O-N 2.93Å; Y239-L242 HydrophobicContact CD1-CD1 4.12Å; Y239-W243 VanDerWaalsContact O-CB 3.31Å; Y239-W243 WeakPolarHBondContact O-CB 3.35Å; Y239-W243 PolarHBondContact O-N 3.23Å
240W97.2Very high96.3Very high8 Ų856 Ų563%0.0328%0.283CS..Hα-helixtrans-65.9-40.7172.3178.6-109.9000112.8V28 I30 H145 L148 Y150 L236 L237 H238 W243 C244V28-W240 HydrophobicContact CB-CZ2 4.41Å; V28-W240 HydrophobicContact CG1-CZ2 4.04Å; V28-W240 PolarHBondContact O-NE1 2.94Å; I30-W240 HydrophobicContact CB-CB 3.99Å; I30-W240 HydrophobicContact CB-CD2 3.61Å; I30-W240 HydrophobicContact CB-CE3 3.99Å; I30-W240 HydrophobicContact CB-CG 3.6Å; I30-W240 HydrophobicContact CD1-CB 4.16Å; I30-W240 HydrophobicContact CD1-CE3 4.27Å; I30-W240 HydrophobicContact CG1-CB 4.33Å; I30-W240 HydrophobicContact CG1-CD2 3.88Å; I30-W240 HydrophobicContact CG1-CE3 3.7Å; I30-W240 HydrophobicContact CG1-CG 4.17Å; I30-W240 HydrophobicContact CG1-CZ3 4.27Å; I30-W240 HydrophobicContact CG2-CG 4.46Å; H145-W240 AromaticContact CD2-CH2 3.61Å; H145-W240 AromaticContact NE2-CH2 3.66Å; H145-W240 AromaticContact NE2-CZ2 3.94Å; L148-W240 HydrophobicContact CD1-CH2 3.63Å; L148-W240 HydrophobicContact CD1-CZ2 3.62Å; Y150-W240 HydrophobicContact CE1-CH2 4.48Å; Y150-W240 WeakPolarHBondContact OH-CH2 3.29Å; Y150-W240 VanDerWaalsContact OH-CZ3 3.24Å; Y150-W240 WeakPolarHBondContact OH-CZ3 3.25Å; L236-W240 WeakPolarHBondContact O-CB 3.36Å; L236-W240 PolarHBondContact O-N 3.46Å; L237-W240 PolarHBondContact O-N 3.49Å; H238-W240 VanDerWaalsContact C-N 3.27Å; H238-W240 PolarHBondContact O-N 2.99Å; W240-W243 AromaticContact CE3-CD1 3.81Å; W240-W243 AromaticContact CZ3-CD1 3.58Å; W240-W243 WeakPolarHBondContact O-CB 3.46Å; W240-W243 PolarHBondContact O-N 3.47Å; W240-C244 VanDerWaalsContact CE2-SG 3.54Å; W240-C244 PolarHBondContact O-N 3.11Å; W240-C244 PolarHBondContact O-SG 3.21Å
241E95.9Very high96.1Very high87 Ų8755.5 Ų55.541%0.40727%0.273SS..Hα-helixtrans-61.7-48.8176-174.9157.5-122.800110.6K27 L237 H238 W243 C244 E245K27-E241 IonicContact NZ-OE1 3.43Å; K27-E241 PolarHBondContact NZ-OE1 2.87Å; L237-E241 PolarHBondContact O-N 2.96Å; L237-E241 VanDerWaalsContact O-N 3.16Å; H238-E241 PolarHBondContact O-N 3.34Å; E241-W243 VanDerWaalsContact C-N 3.29Å; E241-W243 PolarHBondContact O-N 2.94Å; E241-C244 WeakPolarHBondContact O-CB 3.32Å; E241-C244 PolarHBondContact O-N 3Å; E241-E245 PolarHBondContact O-N 3.07Å; E241-E245 VanDerWaalsContact O-N 3.11Å
242L95.9Very high95.8Very high54 Ų5459 Ų5928%0.28329%0.292SS..Hα-helixtrans-60.2-38.4174.1-63.9178.2000112.2L191 H238 Y239 E245 R246L191-L242 HydrophobicContact CD2-CB 3.64Å; H238-L242 PolarHBondContact O-N 2.92Å; Y239-L242 HydrophobicContact CD1-CD1 4.12Å; L242-E245 WeakPolarHBondContact O-CB 3.45Å; L242-E245 PolarHBondContact O-N 3.45Å; L242-R246 WeakPolarHBondContact O-CG 3.23Å; L242-R246 PolarHBondContact O-N 3.18Å
243W97.4Very high95.6Very high0 Ų058.4 Ų58.40%029%0.287CS..Hα-helixtrans-64.2-43.9176.5172.7-110.8000111.8V53 I56 L57 Y150 L191 A195 Y239 W240 E241 E245 R246 V247V53-W243 HydrophobicContact CB-CH2 4.12Å; V53-W243 HydrophobicContact CG1-CH2 3.83Å; V53-W243 HydrophobicContact CG1-CZ2 4.43Å; V53-W243 HydrophobicContact CG1-CZ3 4.13Å; V53-W243 HydrophobicContact CG2-CH2 4.16Å; V53-W243 HydrophobicContact CG2-CZ2 4.07Å; I56-W243 HydrophobicContact CB-CH2 3.67Å; I56-W243 HydrophobicContact CB-CZ3 4.14Å; I56-W243 HydrophobicContact CD1-CH2 3.75Å; I56-W243 HydrophobicContact CD1-CZ2 3.86Å; I56-W243 HydrophobicContact CG1-CH2 4.32Å; I56-W243 HydrophobicContact CG2-CH2 3.58Å; I56-W243 HydrophobicContact CG2-CZ2 4.42Å; I56-W243 HydrophobicContact CG2-CZ3 3.71Å; L57-W243 HydrophobicContact CD2-CE3 4.1Å; L57-W243 HydrophobicContact CD2-CZ3 3.69Å; L57-W243 HydrophobicContact CG-CZ3 3.85Å; Y150-W243 HydrophobicContact CD1-CZ2 4.02Å; Y150-W243 AromaticContact CD1-NE1 3.77Å; Y150-W243 AromaticContact CD2-CZ2 3.86Å; Y150-W243 HydrophobicContact CD2-CZ2 3.86Å; Y150-W243 HydrophobicContact CE1-CZ2 4.23Å; Y150-W243 AromaticContact CE1-NE1 3.18Å; Y150-W243 HydrophobicContact CE2-CZ2 4.09Å; Y150-W243 AromaticContact CE2-NE1 3.92Å; Y150-W243 AromaticContact CG-CZ2 3.85Å; Y150-W243 HydrophobicContact CG-CZ2 3.85Å; Y150-W243 AromaticContact CZ-NE1 3.29Å; Y150-W243 VanDerWaalsContact CZ-NE1 3.29Å; L191-W243 VanDerWaalsContact CD2-CA 3.49Å; L191-W243 HydrophobicContact CD2-CB 3.77Å; A195-W243 HydrophobicContact CB-CD2 3.54Å; A195-W243 HydrophobicContact CB-CE3 4.05Å; A195-W243 HydrophobicContact CB-CG 3.94Å; A195-W243 HydrophobicContact CB-CH2 4.17Å; A195-W243 HydrophobicContact CB-CZ2 3.68Å; A195-W243 HydrophobicContact CB-CZ3 4.36Å; Y239-W243 VanDerWaalsContact O-CB 3.31Å; Y239-W243 WeakPolarHBondContact O-CB 3.35Å; Y239-W243 PolarHBondContact O-N 3.23Å; W240-W243 AromaticContact CE3-CD1 3.81Å; W240-W243 AromaticContact CZ3-CD1 3.58Å; W240-W243 WeakPolarHBondContact O-CB 3.46Å; W240-W243 PolarHBondContact O-N 3.47Å; E241-W243 VanDerWaalsContact C-N 3.29Å; E241-W243 PolarHBondContact O-N 2.94Å; W243-E245 PolarHBondContact O-N 3.45Å; W243-R246 HydrophobicContact CE3-CB 4.29Å; W243-R246 WeakPolarHBondContact O-CB 3.48Å; W243-R246 PolarHBondContact O-N 2.73Å; W243-R246 VanDerWaalsContact O-N 3.1Å; W243-V247 HydrophobicContact CD2-CG2 4.1Å; W243-V247 VanDerWaalsContact CE2-CG2 3.49Å; W243-V247 HydrophobicContact CG-CG2 4.48Å; W243-V247 HydrophobicContact CH2-CG2 4.4Å; W243-V247 HydrophobicContact CZ2-CG2 3.68Å; W243-V247 WeakPolarHBondContact O-CG2 3.45Å; W243-V247 PolarHBondContact O-N 3.07Å
244C95.4Very high95.2Very high34 Ų3457.8 Ų57.823%0.2329%0.291CS..Hα-helixtrans-60.2-36.8176.4-68.50000111.7W240 E241 V247 K248W240-C244 VanDerWaalsContact CE2-SG 3.54Å; W240-C244 PolarHBondContact O-N 3.11Å; W240-C244 PolarHBondContact O-SG 3.21Å; E241-C244 WeakPolarHBondContact O-CB 3.32Å; E241-C244 PolarHBondContact O-N 3Å; C244-V247 PolarHBondContact O-N 2.61Å; C244-K248 PolarHBondContact O-N 3.42Å
245E95.1Very high94.6Very high110 Ų11058.6 Ų58.651%0.51429%0.29SS..Hα-helixtrans-62.8-46.3172.1-67175.9170.500111.6E241 L242 W243 V247 K248 T249E241-E245 PolarHBondContact O-N 3.07Å; E241-E245 VanDerWaalsContact O-N 3.11Å; L242-E245 WeakPolarHBondContact O-CB 3.45Å; L242-E245 PolarHBondContact O-N 3.45Å; W243-E245 PolarHBondContact O-N 3.45Å; E245-V247 VanDerWaalsContact C-N 3.33Å; E245-V247 PolarHBondContact O-N 2.81Å; E245-K248 WeakPolarHBondContact O-CB 3.41Å; E245-K248 PolarHBondContact O-N 2.92Å; E245-K248 VanDerWaalsContact O-N 3.17Å; E245-T249 PolarHBondContact O-N 2.93Å; E245-T249 PolarHBondContact O-OG1 2.91Å
246R95.8Very high93.8Very high36 Ų3660.7 Ų60.714%0.13630%0.301CS..Hα-helixtrans-59-42.9175.1-63.7-50.2-168.283.915.6112.2I56 T60 D188 L242 W243 K248 T249 Y250I56-R246 HydrophobicContact CG2-CB 4.1Å; T60-R246 VanDerWaalsContact C-NH1 3.31Å; T60-R246 WeakPolarHBondContact CG2-O 3.43Å; T60-R246 PolarHBondContact O-NH1 2.9Å; T60-R246 WeakPolarHBondContact OG1-CD 3.01Å; T60-R246 PolarHBondContact OG1-NH1 2.7Å; D188-R246 IonicContact OD1-CZ 2.73Å; D188-R246 IonicContact OD1-NH2 2.84Å; D188-R246 PolarHBondContact OD1-NH2 3.43Å; D188-R246 IonicContact OD2-NH1 3.25Å; D188-R246 IonicContact OD2-NH2 3.82Å; L242-R246 WeakPolarHBondContact O-CG 3.23Å; L242-R246 PolarHBondContact O-N 3.18Å; W243-R246 HydrophobicContact CE3-CB 4.29Å; W243-R246 WeakPolarHBondContact O-CB 3.48Å; W243-R246 PolarHBondContact O-N 2.73Å; W243-R246 VanDerWaalsContact O-N 3.1Å; R246-K248 VanDerWaalsContact C-N 3.34Å; R246-K248 PolarHBondContact O-N 3.47Å; R246-T249 PolarHBondContact O-N 2.65Å; R246-Y250 WeakPolarHBondContact O-CB 3.18Å; R246-Y250 PolarHBondContact O-N 3.11Å
247V95.5Very high92.6Very high5 Ų565.5 Ų65.53%0.0333%0.333CS..Hα-helixtrans-60-46.4175.8174.20000110.7I56 L148 Y150 W243 C244 E245 Y250 Y251I56-V247 HydrophobicContact CD1-CG2 4.29Å; L148-V247 HydrophobicContact CB-CG1 4.25Å; L148-V247 HydrophobicContact CD2-CG1 4.42Å; Y150-V247 HydrophobicContact CD1-CG2 4.09Å; Y150-V247 HydrophobicContact CE1-CG2 4.48Å; W243-V247 HydrophobicContact CD2-CG2 4.1Å; W243-V247 VanDerWaalsContact CE2-CG2 3.49Å; W243-V247 HydrophobicContact CG-CG2 4.48Å; W243-V247 HydrophobicContact CH2-CG2 4.4Å; W243-V247 HydrophobicContact CZ2-CG2 3.68Å; W243-V247 WeakPolarHBondContact O-CG2 3.45Å; W243-V247 PolarHBondContact O-N 3.07Å; C244-V247 PolarHBondContact O-N 2.61Å; E245-V247 VanDerWaalsContact C-N 3.33Å; E245-V247 PolarHBondContact O-N 2.81Å; V247-Y250 PolarHBondContact O-N 3.29Å; V247-Y251 HydrophobicContact CG1-CD2 3.75Å; V247-Y251 HydrophobicContact CG1-CE2 3.74Å; V247-Y251 VanDerWaalsContact O-CD2 3.25Å; V247-Y251 WeakPolarHBondContact O-CD2 3.37Å; V247-Y251 PolarHBondContact O-N 3.09Å; V247-Y251 VanDerWaalsContact O-N 3.11Å
248K93.5Very high90.6Very high139 Ų13966.4 Ų66.460%0.60435%0.346SS*.Hα-helixtrans-59.9-51.4177.8-177.2-173.2172.7-169.30111.3C244 E245 R246 Y250 Y251 D252C244-K248 PolarHBondContact O-N 3.42Å; E245-K248 WeakPolarHBondContact O-CB 3.41Å; E245-K248 PolarHBondContact O-N 2.92Å; E245-K248 VanDerWaalsContact O-N 3.17Å; R246-K248 VanDerWaalsContact C-N 3.34Å; R246-K248 PolarHBondContact O-N 3.47Å; K248-Y250 VanDerWaalsContact C-N 3.29Å; K248-Y250 PolarHBondContact O-N 3.4Å; K248-Y251 PolarHBondContact O-N 3.11Å; K248-Y251 VanDerWaalsContact O-N 3.16Å; K248-D252 PolarHBondContact O-N 3.23Å
249T94.6Very high88.3Confident60 Ų6068.3 Ų68.337%0.36836%0.359SS..Hα-helixtrans-55.8-44.2178.1-61.30000111.7T60 E245 R246 Y251 D252 Q253T60-T249 HydrophobicContact CG2-CG2 3.98Å; E245-T249 PolarHBondContact O-N 2.93Å; E245-T249 PolarHBondContact O-OG1 2.91Å; R246-T249 PolarHBondContact O-N 2.65Å; T249-Y251 PolarHBondContact O-N 3Å; T249-D252 PolarHBondContact O-N 3.41Å; T249-Q253 HydrophobicContact CG2-CG 4.46Å; T249-Q253 WeakPolarHBondContact O-CB 3.34Å; T249-Q253 VanDerWaalsContact O-CG 3.31Å; T249-Q253 WeakPolarHBondContact O-CG 3.42Å; T249-Q253 PolarHBondContact O-N 3.39Å
250Y95.3Very high85.9Confident38 Ų3873 Ų7315%0.14938%0.382CS..Hα-helixtrans-58.9-47.1177.8176.5-95000112.2P51 T55 I56 K59 R246 V247 K248 Q253 C254P51-Y250 HydrophobicContact CB-CD1 4.46Å; P51-Y250 HydrophobicContact CB-CE1 3.64Å; P51-Y250 HydrophobicContact CG-CD1 4.14Å; P51-Y250 HydrophobicContact CG-CE1 3.55Å; T55-Y250 HydrophobicContact CG2-CE2 4.01Å; I56-Y250 HydrophobicContact CB-CG 4.49Å; I56-Y250 HydrophobicContact CG1-CD1 4.05Å; I56-Y250 HydrophobicContact CG1-CD2 4.17Å; I56-Y250 HydrophobicContact CG1-CE1 4.47Å; I56-Y250 HydrophobicContact CG1-CG 3.89Å; K59-Y250 HydrophobicContact CB-CD2 3.87Å; K59-Y250 HydrophobicContact CB-CE2 4.06Å; K59-Y250 HydrophobicContact CG-CD2 4.43Å; K59-Y250 HydrophobicContact CG-CE2 4.11Å; R246-Y250 WeakPolarHBondContact O-CB 3.18Å; R246-Y250 PolarHBondContact O-N 3.11Å; V247-Y250 PolarHBondContact O-N 3.29Å; K248-Y250 VanDerWaalsContact C-N 3.29Å; K248-Y250 PolarHBondContact O-N 3.4Å; Y250-Q253 PolarHBondContact O-N 2.83Å; Y250-C254 VanDerWaalsContact CE1-SG 3.56Å; Y250-C254 PolarHBondContact O-N 3.23Å; Y250-C254 PolarHBondContact O-SG 3.44Å
251Y92.2Very high83Confident65 Ų6585.2 Ų85.226%0.25544%0.44SS..Hα-helixtrans-69.2-36.7178.9-80-64.6000112.8L148 L149 V247 K248 T249 Q253 C254 I255L148-Y251 WeakPolarHBondContact O-CE2 3.38Å; L149-Y251 VanDerWaalsContact CB-OH 3.25Å; L149-Y251 WeakPolarHBondContact CB-OH 3.44Å; L149-Y251 PolarHBondContact O-OH 2.83Å; V247-Y251 HydrophobicContact CG1-CD2 3.75Å; V247-Y251 HydrophobicContact CG1-CE2 3.74Å; V247-Y251 VanDerWaalsContact O-CD2 3.25Å; V247-Y251 WeakPolarHBondContact O-CD2 3.37Å; V247-Y251 PolarHBondContact O-N 3.09Å; V247-Y251 VanDerWaalsContact O-N 3.11Å; K248-Y251 PolarHBondContact O-N 3.11Å; K248-Y251 VanDerWaalsContact O-N 3.16Å; T249-Y251 PolarHBondContact O-N 3Å; Y251-Q253 VanDerWaalsContact C-N 3.33Å; Y251-Q253 PolarHBondContact O-N 3.11Å; Y251-C254 PolarHBondContact O-N 3.42Å; Y251-I255 WeakPolarHBondContact O-CG1 3.4Å; Y251-I255 PolarHBondContact O-N 2.92Å
252D92.2Very high82.3Confident74 Ų7485.2 Ų85.240%0.39644%0.442SS..Hα-helixtrans-61.8-41.3174.3-70.9-18.7000111.1K248 T249 I255 N256K248-D252 PolarHBondContact O-N 3.23Å; T249-D252 PolarHBondContact O-N 3.41Å; D252-I255 PolarHBondContact O-N 3.36Å; D252-N256 PolarHBondContact O-N 2.83Å
253Q91.3Very high81.6Confident61 Ų6186.8 Ų86.829%0.28545%0.45SS..Hα-helixtrans-65.4-38173.6-73171.4-29.300112.8T249 Y250 Y251 I255 N256 E260T249-Q253 HydrophobicContact CG2-CG 4.46Å; T249-Q253 WeakPolarHBondContact O-CB 3.34Å; T249-Q253 VanDerWaalsContact O-CG 3.31Å; T249-Q253 WeakPolarHBondContact O-CG 3.42Å; T249-Q253 PolarHBondContact O-N 3.39Å; Y250-Q253 PolarHBondContact O-N 2.83Å; Y251-Q253 VanDerWaalsContact C-N 3.33Å; Y251-Q253 PolarHBondContact O-N 3.11Å; Q253-I255 VanDerWaalsContact C-N 3.31Å; Q253-I255 PolarHBondContact O-N 3.06Å; Q253-N256 CarbonylContact O-C 3.45Å; Q253-E260 PolarHBondContact NE2-OE1 3.43Å
254C88.5Confident80.7Confident72 Ų7291.6 Ų91.649%0.48648%0.475SS..Hα-helixtrans-67.8-31.9177.4-670000112.7Y250 Y251Y250-C254 VanDerWaalsContact CE1-SG 3.56Å; Y250-C254 PolarHBondContact O-N 3.23Å; Y250-C254 PolarHBondContact O-SG 3.44Å; Y251-C254 PolarHBondContact O-N 3.42Å
255I85.1Confident79.9Confident123 Ų12395 Ų9563%0.63149%0.49SS*.Hα-helixtrans-81.5-38.2179.2-66166.2000110.9Y251 D252 Q253 P257Y251-I255 WeakPolarHBondContact O-CG1 3.4Å; Y251-I255 PolarHBondContact O-N 2.92Å; D252-I255 PolarHBondContact O-N 3.36Å; Q253-I255 VanDerWaalsContact C-N 3.31Å; Q253-I255 PolarHBondContact O-N 3.06Å; I255-P257 VanDerWaalsContact C-CD 3.43Å; I255-P257 WeakPolarHBondContact O-CD 3.18Å
256N80.1Confident78.9Confident94 Ų9494.1 Ų94.150%0.50349%0.488SS..  trans-117.474.1-177.9-59.1-55.7000111.1D252 Q253 S258D252-N256 PolarHBondContact O-N 2.83Å; Q253-N256 CarbonylContact O-C 3.45Å; N256-S258 PolarHBondContact O-N 3.1Å; N256-S258 VanDerWaalsContact O-N 3.09Å
257P72.3Confident77.8Confident102 Ų10297.9 Ų97.966%0.66251%0.512SS*.G310 helixtrans-67.2-9.4-177.626.4-34.4000114I255 N259I255-P257 VanDerWaalsContact C-CD 3.43Å; I255-P257 WeakPolarHBondContact O-CD 3.18Å; P257-N259 PolarHBondContact O-N 2.83Å; P257-N259 VanDerWaalsContact O-N 3.08Å
258S56.3Low76.5Confident103 Ų103104.6 Ų104.672%0.7255%0.546SS*.G310 helixtrans-77.114.3-16961.70000116.4N256N256-S258 PolarHBondContact O-N 3.1Å; N256-S258 VanDerWaalsContact O-N 3.09Å
259N48.3Very low75.2Confident137 Ų137101.9 Ų101.973%0.73354%0.541SS*.G310 helixtrans-119.117.8-178.2-72.8-9000114.1P257P257-N259 PolarHBondContact O-N 2.83Å; P257-N259 VanDerWaalsContact O-N 3.08Å
260E45.9Very low73.6Confident130 Ų130105.4 Ų105.461%0.60756%0.556SS**  trans-124.972.5173.6-69.4-175.3-174.700111.4Q253Q253-E260 PolarHBondContact NE2-OE1 3.43Å
261E35.8Very low71.6Confident266 Ų266111.5 Ų111.5100%1.24359%0.593SS**  trans-126.10148-76.4-172.317100108

Retrieved 261 of 261 residues in 144.1 ms (Link to these results)

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