A0A5K4F3Z0_SCHMA Loading...

Catechol-O-methyltransferase domain containing 1

AlphaFold DB , UniProt , Accession A0A5K4F3Z0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 231 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
1M34.5Very low38.7Very low244 Ų244151.8 Ų151.8100%1.20274%0.741SS**  0112.40-84.6175.7171.400108.4K3M1-K3 PolarHBondContact O-N 3.45Å
2N32.4Very low39.3Very low153 Ų153151.3 Ų151.382%0.81874%0.736SS**  trans-72.9107.7-166-148-4.9000110.8F4N2-F4 PolarHBondContact O-N 2.71Å
3K31.2Very low39.9Very low199 Ų199144.6 Ų144.687%0.86570%0.699SS**THydrogen-bonded Turntrans-85.118.5-170.7-132.7178.1-174.3-179.80114M1M1-K3 PolarHBondContact O-N 3.45Å
4F34.8Very low40.7Very low182 Ų182135.4 Ų135.480%0.79866%0.661SS**THydrogen-bonded Turntrans-121.69.1-174.2-80.1-78.3000115.8N2 R6N2-F4 PolarHBondContact O-N 2.71Å; F4-R6 PolarHBondContact O-N 3.49Å
5A31.7Very low41.6Very low100 Ų100127.7 Ų127.783%0.82663%0.625SS**  trans-77.868.4162.200000109.3
6R36.8Very low42.7Very low216 Ų216124.1 Ų124.182%0.81561%0.613SS**  trans-77.3127160.8-79.2-175.8179.9175.70.2106.4F4 K8F4-R6 PolarHBondContact O-N 3.49Å; R6-K8 VanDerWaalsContact C-N 3.3Å; R6-K8 PolarHBondContact O-N 3.42Å
7D33.5Very low43.8Very low162 Ų162121.9 Ų121.987%0.86661%0.608SS**  trans-47.794.8168-71.6-41.3000109.5K9D7-K9 VanDerWaalsContact C-N 3.29Å; D7-K9 PolarHBondContact O-N 2.8Å
8K43.5Very low45.3Very low154 Ų154117.3 Ų117.367%0.6759%0.589SS**  trans-73.592.9173.8-79.4-179.4172.3-173.50105.7R6 V10 T16R6-K8 VanDerWaalsContact C-N 3.3Å; R6-K8 PolarHBondContact O-N 3.42Å; K8-V10 PolarHBondContact O-N 3.39Å; K8-T16 HydrophobicContact CB-CG2 3.74Å; K8-T16 HydrophobicContact CD-CG2 3.98Å; K8-T16 HydrophobicContact CG-CG2 4.34Å
9K45.3Very low47Very low168 Ų168116.7 Ų116.773%0.7360%0.604SS**PPolyproline II helixtrans-52.3118.7170.7-82.2-172.6175.5-176.10107.7D7 V17D7-K9 VanDerWaalsContact C-N 3.29Å; D7-K9 PolarHBondContact O-N 2.8Å; K9-V17 HydrophobicContact CB-CG2 4.07Å; K9-V17 WeakPolarHBondContact O-CG2 3.41Å; K9-V17 PolarHBondContact O-N 2.83Å
10V48.9Very low48.9Very low73 Ų73115.3 Ų115.344%0.44260%0.598SS.*BIsolated β-bridgetrans-84.2128.2173.1-176.60000106.4K8 G14 C15 T16K8-V10 PolarHBondContact O-N 3.39Å; V10-G14 VanDerWaalsContact CG1-C 3.49Å; V10-G14 VanDerWaalsContact CG1-CA 3.47Å; V10-C15 CarbonylContact C-O 3.49Å; V10-C15 VanDerWaalsContact CA-O 3.3Å; V10-C15 WeakPolarHBondContact CA-O 3.47Å; V10-T16 HydrophobicContact CG2-CG2 4.47Å
11T53.6Low50.9Low19 Ų19118.5 Ų118.512%0.11761%0.607CS.*PPolyproline II helixtrans-63.5162.6173.968.50000109Y13 G14 C15 V17 Q24T11-Y13 PolarHBondContact O-N 2.83Å; T11-Y13 PolarHBondContact OG1-N 2.7Å; T11-G14 PolarHBondContact O-N 3.16Å; T11-C15 WeakPolarHBondContact CG2-O 3.16Å; T11-C15 PolarHBondContact N-O 2.99Å; T11-C15 PolarHBondContact OG1-N 2.97Å; T11-C15 PolarHBondContact OG1-O 2.83Å; T11-V17 HydrophobicContact CG2-CG2 3.86Å; T11-Q24 VanDerWaalsContact CG2-NE2 3.31Å
12E45Very low53.6Low145 Ų145111.6 Ų111.668%0.67858%0.579SS**THydrogen-bonded Turntrans-56.8-19.1172.665.6-175.3161.400113K38E12-K38 PolarHBondContact O-NZ 3.49Å
13Y47.5Very low56.3Low65 Ų65107.6 Ų107.626%0.25556%0.555SS.*THydrogen-bonded Turntrans-84.8-7.6177.4-52.6-72.9000114.2T11 D28 L33T11-Y13 PolarHBondContact O-N 2.83Å; T11-Y13 PolarHBondContact OG1-N 2.7Å; Y13-D28 HydrophobicContact CE2-CB 4.28Å; Y13-L33 WeakPolarHBondContact O-CD1 3.39Å
14G51.8Low59.1Low16 Ų1699.3 Ų99.317%0.16552%0.519CS..SBendtrans91.12.2178.600000114.9V10 T11V10-G14 VanDerWaalsContact CG1-C 3.49Å; V10-G14 VanDerWaalsContact CG1-CA 3.47Å; T11-G14 PolarHBondContact O-N 3.16Å
15C53.5Low61.9Low19 Ų1997.4 Ų97.413%0.12851%0.507CS..PPolyproline II helixtrans-92.4155.7174.9-77.60000111.4V10 T11 L31V10-C15 CarbonylContact C-O 3.49Å; V10-C15 VanDerWaalsContact CA-O 3.3Å; V10-C15 WeakPolarHBondContact CA-O 3.47Å; T11-C15 WeakPolarHBondContact CG2-O 3.16Å; T11-C15 PolarHBondContact N-O 2.99Å; T11-C15 PolarHBondContact OG1-N 2.97Å; T11-C15 PolarHBondContact OG1-O 2.83Å; C15-L31 WeakPolarHBondContact SG-CD2 3.4Å
16T59.3Low64.8Low71 Ų7196 Ų9644%0.43649%0.486SS..BIsolated β-bridgetrans-79.7135.1172.345.30000109.8K8 V10 S18K8-T16 HydrophobicContact CB-CG2 3.74Å; K8-T16 HydrophobicContact CD-CG2 3.98Å; K8-T16 HydrophobicContact CG-CG2 4.34Å; V10-T16 HydrophobicContact CG2-CG2 4.47Å; T16-S18 PolarHBondContact O-N 3.42Å; T16-S18 VanDerWaalsContact O-N 3.12Å
17V62.2Low67.4Low86 Ų8685.8 Ų85.852%0.52145%0.447SS..PPolyproline II helixtrans-54.4119.8179.8171.90000109.6K9 T11K9-V17 HydrophobicContact CB-CG2 4.07Å; K9-V17 WeakPolarHBondContact O-CG2 3.41Å; K9-V17 PolarHBondContact O-N 2.83Å; T11-V17 HydrophobicContact CG2-CG2 3.86Å
18S69.3Low70.3Confident39 Ų3981 Ų8127%0.27342%0.421SS..PPolyproline II helixtrans-88.2143.4-178.6-174.60000111.6T16 D20T16-S18 PolarHBondContact O-N 3.42Å; T16-S18 VanDerWaalsContact O-N 3.12Å; S18-D20 PolarHBondContact O-N 3.41Å; S18-D20 PolarHBondContact OG-N 2.99Å; S18-D20 VanDerWaalsContact OG-N 3.11Å
19A77.7Confident72.7Confident106 Ų10679.3 Ų79.388%0.87642%0.416SS*.SBendtrans-69.6-22.8168.500000111.9K21A19-K21 PolarHBondContact O-N 3.4Å
20D86.2Confident75Confident88 Ų8873.5 Ų73.547%0.47140%0.396SS..  trans-77.2104.5170.7-179.7-6.3000109.4S18 V22 H23 Q24S18-D20 PolarHBondContact O-N 3.41Å; S18-D20 PolarHBondContact OG-N 2.99Å; S18-D20 VanDerWaalsContact OG-N 3.11Å; D20-V22 PolarHBondContact O-N 2.7Å; D20-V22 WeakPolarHBondContact OD1-CB 3.48Å; D20-V22 PolarHBondContact OD1-N 2.87Å; D20-H23 HydrophobicContact CB-CB 3.84Å; D20-H23 PolarHBondContact O-N 2.94Å; D20-H23 PolarHBondContact OD1-N 3.42Å; D20-Q24 PolarHBondContact O-N 3.19Å
21K91.3Very high77.2Confident184 Ų18470.2 Ų70.280%0.838%0.376SS*.Hα-helixtrans-61.4-30.3179.5-68.3-175178.3-178.20112.9A19 Y25A19-K21 PolarHBondContact O-N 3.4Å; K21-Y25 WeakPolarHBondContact O-CB 3.27Å; K21-Y25 PolarHBondContact O-N 3.06Å
22V91.1Very high79.3Confident99 Ų9979.5 Ų79.560%0.641%0.409SS*.Hα-helixtrans-72-46177.8177.80000109.3D20 Q24 Y25 I26D20-V22 PolarHBondContact O-N 2.7Å; D20-V22 WeakPolarHBondContact OD1-CB 3.48Å; D20-V22 PolarHBondContact OD1-N 2.87Å; V22-Q24 VanDerWaalsContact C-N 3.3Å; V22-Q24 PolarHBondContact O-N 2.76Å; V22-Y25 WeakPolarHBondContact O-CB 3.44Å; V22-Y25 PolarHBondContact O-N 3.26Å; V22-I26 HydrophobicContact CG1-CD1 4.2Å; V22-I26 WeakPolarHBondContact O-CG1 3.2Å; V22-I26 PolarHBondContact O-N 3.13Å
23H88.3Confident81.7Confident69 Ų6973.4 Ų73.432%0.31938%0.381SS..Hα-helixtrans-57.9-44.7173.8-177.984.4000111.7D20 Y25 I26 C27D20-H23 HydrophobicContact CB-CB 3.84Å; D20-H23 PolarHBondContact O-N 2.94Å; D20-H23 PolarHBondContact OD1-N 3.42Å; H23-Y25 VanDerWaalsContact C-N 3.34Å; H23-Y25 PolarHBondContact O-N 2.85Å; H23-I26 WeakPolarHBondContact O-CB 3.3Å; H23-I26 PolarHBondContact O-N 3.47Å; H23-C27 PolarHBondContact O-N 3.32Å; H23-C27 PolarHBondContact O-SG 3.04Å
24Q89.3Confident84.1Confident24 Ų2471.8 Ų71.811%0.11238%0.379CS..Hα-helixtrans-60.1-44.8177.3-170.55855.500111.7T11 D20 V22 I26 C27 D28T11-Q24 VanDerWaalsContact CG2-NE2 3.31Å; D20-Q24 PolarHBondContact O-N 3.19Å; V22-Q24 VanDerWaalsContact C-N 3.3Å; V22-Q24 PolarHBondContact O-N 2.76Å; Q24-I26 VanDerWaalsContact C-N 3.33Å; Q24-I26 PolarHBondContact O-N 3.29Å; Q24-C27 PolarHBondContact O-N 3.2Å; Q24-D28 PolarHBondContact NE2-OD1 2.92Å; Q24-D28 PolarHBondContact NE2-OD2 2.91Å; Q24-D28 VanDerWaalsContact O-CG 3.24Å; Q24-D28 PolarHBondContact O-N 2.71Å
25Y94.4Very high86.3Confident142 Ų14279.8 Ų79.856%0.55741%0.409SS*.Hα-helixtrans-59-43.3175.8-174.7-88.3000112K21 V22 H23 C27 D28 H29K21-Y25 WeakPolarHBondContact O-CB 3.27Å; K21-Y25 PolarHBondContact O-N 3.06Å; V22-Y25 WeakPolarHBondContact O-CB 3.44Å; V22-Y25 PolarHBondContact O-N 3.26Å; H23-Y25 VanDerWaalsContact C-N 3.34Å; H23-Y25 PolarHBondContact O-N 2.85Å; Y25-C27 PolarHBondContact O-N 3.37Å; Y25-D28 PolarHBondContact O-N 3.33Å; Y25-H29 AromaticContact CD1-ND1 3.89Å; Y25-H29 AromaticContact CD2-CE1 3.31Å; Y25-H29 WeakPolarHBondContact CD2-CE1 3.4Å; Y25-H29 AromaticContact CD2-ND1 3.53Å; Y25-H29 HydrophobicContact CE1-CB 4.37Å; Y25-H29 AromaticContact CE1-CG 3.93Å; Y25-H29 AromaticContact CE1-ND1 3.9Å; Y25-H29 AromaticContact CE2-CD2 4Å; Y25-H29 AromaticContact CE2-CE1 3.11Å; Y25-H29 WeakPolarHBondContact CE2-CE1 3.43Å; Y25-H29 AromaticContact CE2-ND1 3.55Å; Y25-H29 AromaticContact CE2-NE2 3.39Å; Y25-H29 WeakPolarHBondContact CE2-NE2 3.18Å; Y25-H29 AromaticContact CG-CE1 3.97Å; Y25-H29 AromaticContact CG-ND1 3.7Å; Y25-H29 AromaticContact CZ-CD2 3.75Å; Y25-H29 AromaticContact CZ-CE1 3.63Å; Y25-H29 AromaticContact CZ-CG 3.8Å; Y25-H29 AromaticContact CZ-ND1 3.71Å; Y25-H29 AromaticContact CZ-NE2 3.62Å; Y25-H29 WeakPolarHBondContact O-CB 3.25Å; Y25-H29 PolarHBondContact O-N 3.19Å; Y25-H29 PolarHBondContact O-ND1 2.83Å
26I92.7Very high88.5Confident72 Ų7279 Ų7937%0.36940%0.404SS..Hα-helixtrans-58.4-48.4175.5-68.6165.4000110.4V22 H23 Q24 H29 S30 I57V22-I26 HydrophobicContact CG1-CD1 4.2Å; V22-I26 WeakPolarHBondContact O-CG1 3.2Å; V22-I26 PolarHBondContact O-N 3.13Å; H23-I26 WeakPolarHBondContact O-CB 3.3Å; H23-I26 PolarHBondContact O-N 3.47Å; Q24-I26 VanDerWaalsContact C-N 3.33Å; Q24-I26 PolarHBondContact O-N 3.29Å; I26-H29 PolarHBondContact O-N 3.11Å; I26-S30 WeakPolarHBondContact O-CB 3.34Å; I26-S30 PolarHBondContact O-N 2.95Å; I26-S30 PolarHBondContact O-OG 2.84Å; I26-I57 HydrophobicContact CG2-CD1 3.73Å; I26-I57 HydrophobicContact CG2-CG1 4.29Å
27C91.9Very high90.3Very high0 Ų076.3 Ų76.30%039%0.387CS..Hα-helixtrans-59.4-49.4178.6-70.30000111.6H23 Q24 Y25 H29 L31H23-C27 PolarHBondContact O-N 3.32Å; H23-C27 PolarHBondContact O-SG 3.04Å; Q24-C27 PolarHBondContact O-N 3.2Å; Y25-C27 PolarHBondContact O-N 3.37Å; C27-H29 VanDerWaalsContact C-N 3.27Å; C27-H29 PolarHBondContact O-N 3.02Å; C27-L31 VanDerWaalsContact O-CB 3.3Å; C27-L31 WeakPolarHBondContact O-CB 3.46Å; C27-L31 PolarHBondContact O-N 2.82Å; C27-L31 VanDerWaalsContact O-N 3.07Å
28D92.6Very high92Very high61 Ų6175.1 Ų75.133%0.32637%0.374SS..Hα-helixtrans-66.2-27.6-176.6-63.7-19.9000113Y13 Q24 Y25Y13-D28 HydrophobicContact CE2-CB 4.28Å; Q24-D28 PolarHBondContact NE2-OD1 2.92Å; Q24-D28 PolarHBondContact NE2-OD2 2.91Å; Q24-D28 VanDerWaalsContact O-CG 3.24Å; Q24-D28 PolarHBondContact O-N 2.71Å; Y25-D28 PolarHBondContact O-N 3.33Å
29H95.2Very high93.4Very high120 Ų12076.5 Ų76.556%0.55637%0.374SS*.Hα-helixtrans-105.3-8.1-173.8-64.975000114.4Y25 I26 C27Y25-H29 AromaticContact CD1-ND1 3.89Å; Y25-H29 AromaticContact CD2-CE1 3.31Å; Y25-H29 WeakPolarHBondContact CD2-CE1 3.4Å; Y25-H29 AromaticContact CD2-ND1 3.53Å; Y25-H29 HydrophobicContact CE1-CB 4.37Å; Y25-H29 AromaticContact CE1-CG 3.93Å; Y25-H29 AromaticContact CE1-ND1 3.9Å; Y25-H29 AromaticContact CE2-CD2 4Å; Y25-H29 AromaticContact CE2-CE1 3.11Å; Y25-H29 WeakPolarHBondContact CE2-CE1 3.43Å; Y25-H29 AromaticContact CE2-ND1 3.55Å; Y25-H29 AromaticContact CE2-NE2 3.39Å; Y25-H29 WeakPolarHBondContact CE2-NE2 3.18Å; Y25-H29 AromaticContact CG-CE1 3.97Å; Y25-H29 AromaticContact CG-ND1 3.7Å; Y25-H29 AromaticContact CZ-CD2 3.75Å; Y25-H29 AromaticContact CZ-CE1 3.63Å; Y25-H29 AromaticContact CZ-CG 3.8Å; Y25-H29 AromaticContact CZ-ND1 3.71Å; Y25-H29 AromaticContact CZ-NE2 3.62Å; Y25-H29 WeakPolarHBondContact O-CB 3.25Å; Y25-H29 PolarHBondContact O-N 3.19Å; Y25-H29 PolarHBondContact O-ND1 2.83Å; I26-H29 PolarHBondContact O-N 3.11Å; C27-H29 VanDerWaalsContact C-N 3.27Å; C27-H29 PolarHBondContact O-N 3.02Å
30S94Very high94.3Very high45 Ų4571.4 Ų71.432%0.31533%0.332SS..Hα-helixtrans-135.4-30.4-176.173.80000114.9I26 R32 Q60I26-S30 WeakPolarHBondContact O-CB 3.34Å; I26-S30 PolarHBondContact O-N 2.95Å; I26-S30 PolarHBondContact O-OG 2.84Å; S30-R32 PolarHBondContact O-N 2.8Å; S30-Q60 PolarHBondContact O-NE2 2.87Å; S30-Q60 PolarHBondContact O-OE1 2.8Å
31L95.2Very high94.8Very high4 Ų468.2 Ų68.22%0.02132%0.315CS..  trans-77.9125.5-169.7-171.469.4000111.5C15 C27 L33 S56 I57 Q60C15-L31 WeakPolarHBondContact SG-CD2 3.4Å; C27-L31 VanDerWaalsContact O-CB 3.3Å; C27-L31 WeakPolarHBondContact O-CB 3.46Å; C27-L31 PolarHBondContact O-N 2.82Å; C27-L31 VanDerWaalsContact O-N 3.07Å; L31-L33 HydrophobicContact CD1-CD2 3.88Å; L31-L33 HydrophobicContact CD1-CG 4.25Å; L31-L33 HydrophobicContact CD2-CD1 4.18Å; L31-L33 HydrophobicContact CD2-CD2 4.45Å; L31-L33 HydrophobicContact CD2-CG 4.04Å; L31-L33 HydrophobicContact CG-CD2 4.17Å; L31-L33 HydrophobicContact CG-CG 3.96Å; L31-S56 WeakPolarHBondContact CD1-O 3.37Å; L31-I57 HydrophobicContact CB-CD1 4.06Å; L31-I57 HydrophobicContact CD1-CD1 3.97Å; L31-I57 HydrophobicContact CG-CD1 4.46Å; L31-Q60 HydrophobicContact CD1-CB 4.28Å
32R96.1Very high95.1Very high215 Ų21563.8 Ų63.881%0.81130%0.297SS*.  trans-129.876.8-175.4-65.3-177-178.1-170.70.7110.3S30S30-R32 PolarHBondContact O-N 2.8Å
33L96.8Very high95.3Very high17 Ų1761.5 Ų61.59%0.08928%0.28CS..  trans-78.7136.2177.7-60.9-171.5000112.5Y13 L31 Q37 K38 L41 Y83Y13-L33 WeakPolarHBondContact O-CD1 3.39Å; L31-L33 HydrophobicContact CD1-CD2 3.88Å; L31-L33 HydrophobicContact CD1-CG 4.25Å; L31-L33 HydrophobicContact CD2-CD1 4.18Å; L31-L33 HydrophobicContact CD2-CD2 4.45Å; L31-L33 HydrophobicContact CD2-CG 4.04Å; L31-L33 HydrophobicContact CG-CD2 4.17Å; L31-L33 HydrophobicContact CG-CG 3.96Å; L33-Q37 HydrophobicContact CB-CB 4.19Å; L33-Q37 HydrophobicContact CD2-CB 4.34Å; L33-K38 HydrophobicContact CB-CD 4.44Å; L33-K38 HydrophobicContact CB-CG 3.67Å; L33-K38 HydrophobicContact CD1-CG 4.25Å; L33-K38 WeakPolarHBondContact O-CE 3.43Å; L33-L41 HydrophobicContact CD1-CD1 3.39Å; L33-Y83 WeakPolarHBondContact CD2-OH 3.48Å
34S97.6Very high95.6Very high31 Ų3158.2 Ų58.222%0.21727%0.265CS..  trans-65.9165.2169.290.30000111.4A36 Q37 K38 E90S34-A36 VanDerWaalsContact C-N 3.27Å; S34-A36 PolarHBondContact O-N 2.93Å; S34-A36 PolarHBondContact OG-N 2.87Å; S34-Q37 PolarHBondContact O-N 2.91Å; S34-Q37 WeakPolarHBondContact OG-CG 3.32Å; S34-Q37 PolarHBondContact OG-N 3.01Å; S34-K38 WeakPolarHBondContact O-CG 3.48Å; S34-K38 PolarHBondContact O-N 2.84Å; S34-E90 WeakPolarHBondContact CB-OE1 3.5Å; S34-E90 PolarHBondContact OG-OE1 2.83Å; S34-E90 PolarHBondContact OG-OE2 3.02Å
35K98Very high95.9Very high184 Ų18460.8 Ų60.880%0.829%0.285SS*.Hα-helixtrans-60-40.3174.9-69.7-177.5-179.11780111.5K38 W39K35-K38 PolarHBondContact O-N 2.79Å; K35-W39 WeakPolarHBondContact O-CB 3.43Å; K35-W39 PolarHBondContact O-N 2.64Å
36A98.4Very high95.8Very high3 Ų360.5 Ų60.53%0.02529%0.287CS..Hα-helixtrans-67.2-43.5178.700000111.7S34 W39 L40 L86 M118 A119S34-A36 VanDerWaalsContact C-N 3.27Å; S34-A36 PolarHBondContact O-N 2.93Å; S34-A36 PolarHBondContact OG-N 2.87Å; A36-W39 PolarHBondContact O-N 2.99Å; A36-L40 WeakPolarHBondContact O-CB 3.37Å; A36-L40 PolarHBondContact O-N 3.15Å; A36-L86 HydrophobicContact CB-CD1 4.27Å; A36-L86 HydrophobicContact CB-CD2 4.23Å; A36-M118 HydrophobicContact CB-CB 4.05Å; A36-M118 HydrophobicContact CB-CG 4.05Å; A36-M118 HydrophobicContact CB-SD 4.21Å; A36-A119 HydrophobicContact CB-CB 3.67Å
37Q98.2Very high95.8Very high14 Ų1458.5 Ų58.57%0.06528%0.276CS..Hα-helixtrans-60.5-46.5174.8-73.1176.3-37.900111.6L33 S34 W39 L40 L41 Y83 L86 S87 E90L33-Q37 HydrophobicContact CB-CB 4.19Å; L33-Q37 HydrophobicContact CD2-CB 4.34Å; S34-Q37 PolarHBondContact O-N 2.91Å; S34-Q37 WeakPolarHBondContact OG-CG 3.32Å; S34-Q37 PolarHBondContact OG-N 3.01Å; Q37-W39 PolarHBondContact O-N 3.26Å; Q37-L40 PolarHBondContact O-N 3.46Å; Q37-L41 WeakPolarHBondContact O-CB 3.49Å; Q37-L41 VanDerWaalsContact O-CG 3.26Å; Q37-L41 WeakPolarHBondContact O-CG 3.24Å; Q37-L41 PolarHBondContact O-N 3.27Å; Q37-Y83 HydrophobicContact CB-CE2 4Å; Q37-Y83 HydrophobicContact CG-CE2 3.92Å; Q37-L86 HydrophobicContact CB-CD2 4.46Å; Q37-L86 HydrophobicContact CG-CD2 3.83Å; Q37-L86 HydrophobicContact CG-CG 4.21Å; Q37-S87 PolarHBondContact NE2-OG 2.94Å; Q37-E90 VanDerWaalsContact CG-OE2 3.31Å; Q37-E90 WeakPolarHBondContact CG-OE2 3.41Å; Q37-E90 PolarHBondContact NE2-OE2 3.05Å
38K97.7Very high95.8Very high60 Ų6064.3 Ų64.326%0.26131%0.313SS..Hα-helixtrans-59.8-45.5176.8-70.8-178.4-173.9-1700111.8E12 L33 S34 K35 Q42E12-K38 PolarHBondContact O-NZ 3.49Å; L33-K38 HydrophobicContact CB-CD 4.44Å; L33-K38 HydrophobicContact CB-CG 3.67Å; L33-K38 HydrophobicContact CD1-CG 4.25Å; L33-K38 WeakPolarHBondContact O-CE 3.43Å; S34-K38 WeakPolarHBondContact O-CG 3.48Å; S34-K38 PolarHBondContact O-N 2.84Å; K35-K38 PolarHBondContact O-N 2.79Å; K38-Q42 WeakPolarHBondContact O-CB 3.22Å; K38-Q42 VanDerWaalsContact O-CG 3.25Å; K38-Q42 WeakPolarHBondContact O-CG 3.37Å; K38-Q42 PolarHBondContact O-N 2.68Å
39W97.7Very high95.7Very high68 Ų6865.2 Ų65.226%0.25832%0.317SS..Hα-helixtrans-60.8-49.4177177.583.1000111.3K35 A36 Q37 L41 Q42 E43 P114 A115 M118K35-W39 WeakPolarHBondContact O-CB 3.43Å; K35-W39 PolarHBondContact O-N 2.64Å; A36-W39 PolarHBondContact O-N 2.99Å; Q37-W39 PolarHBondContact O-N 3.26Å; W39-L41 PolarHBondContact O-N 3.11Å; W39-Q42 WeakPolarHBondContact O-CB 3.47Å; W39-Q42 PolarHBondContact O-N 3.02Å; W39-Q42 VanDerWaalsContact O-N 3.14Å; W39-E43 HydrophobicContact CD2-CG 4.03Å; W39-E43 HydrophobicContact CE3-CG 4.46Å; W39-E43 HydrophobicContact CH2-CG 3.95Å; W39-E43 HydrophobicContact CZ2-CG 3.52Å; W39-E43 HydrophobicContact CZ3-CG 4.4Å; W39-E43 PolarHBondContact O-N 3.44Å; W39-P114 HydrophobicContact CH2-CB 3.49Å; W39-P114 VanDerWaalsContact CH2-CB 3.49Å; W39-P114 HydrophobicContact CH2-CG 4.26Å; W39-P114 HydrophobicContact CZ2-CB 4.26Å; W39-P114 HydrophobicContact CZ3-CB 3.86Å; W39-A115 HydrophobicContact CE3-CB 4.03Å; W39-A115 HydrophobicContact CZ3-CB 3.89Å; W39-M118 HydrophobicContact CB-CE 4.15Å; W39-M118 HydrophobicContact CB-SD 3.94Å; W39-M118 HydrophobicContact CD2-CE 3.92Å; W39-M118 HydrophobicContact CE3-CE 4.5Å; W39-M118 HydrophobicContact CG-CE 3.72Å; W39-M118 HydrophobicContact CG-SD 4.18Å
40L97.8Very high95.5Very high0 Ų061.1 Ų61.10%030%0.301CS..Hα-helixtrans-62.9-41.9-177.9179.458.5000112.1A36 Q37 Q42 E43 T44 T81 Y83 L86 Y111 A115A36-L40 WeakPolarHBondContact O-CB 3.37Å; A36-L40 PolarHBondContact O-N 3.15Å; Q37-L40 PolarHBondContact O-N 3.46Å; L40-Q42 VanDerWaalsContact C-N 3.33Å; L40-Q42 PolarHBondContact O-N 3.45Å; L40-E43 PolarHBondContact O-N 3.21Å; L40-T44 VanDerWaalsContact O-CB 3.27Å; L40-T44 WeakPolarHBondContact O-CB 3.41Å; L40-T44 PolarHBondContact O-N 2.71Å; L40-T44 PolarHBondContact O-OG1 2.74Å; L40-T81 WeakPolarHBondContact CD1-O 3.44Å; L40-Y83 HydrophobicContact CD2-CD2 4.45Å; L40-L86 HydrophobicContact CB-CD2 4.37Å; L40-L86 HydrophobicContact CD2-CD2 3.81Å; L40-Y111 HydrophobicContact CD1-CD1 4.4Å; L40-A115 HydrophobicContact CB-CB 3.91Å; L40-A115 HydrophobicContact CD1-CB 4.11Å; L40-A115 HydrophobicContact CD2-CB 3.88Å; L40-A115 HydrophobicContact CG-CB 4.18Å
41L96.6Very high95.2Very high21 Ų2165.8 Ų65.811%0.1132%0.322CS..Hα-helixtrans-63.7-39.6175.7-70.1172.1000111.6L33 Q37 W39 S45 L53 S56 Y83L33-L41 HydrophobicContact CD1-CD1 3.39Å; Q37-L41 WeakPolarHBondContact O-CB 3.49Å; Q37-L41 VanDerWaalsContact O-CG 3.26Å; Q37-L41 WeakPolarHBondContact O-CG 3.24Å; Q37-L41 PolarHBondContact O-N 3.27Å; W39-L41 PolarHBondContact O-N 3.11Å; L41-S45 VanDerWaalsContact O-CB 3.29Å; L41-S45 WeakPolarHBondContact O-CB 3.45Å; L41-S45 PolarHBondContact O-N 2.84Å; L41-L53 HydrophobicContact CD2-CD1 3.81Å; L41-S56 WeakPolarHBondContact CD1-OG 3.49Å; L41-Y83 HydrophobicContact CD1-CE2 4.03Å; L41-Y83 HydrophobicContact CD2-CD1 4.07Å; L41-Y83 HydrophobicContact CD2-CD2 4.04Å; L41-Y83 HydrophobicContact CD2-CE1 3.99Å; L41-Y83 HydrophobicContact CD2-CE2 3.98Å; L41-Y83 HydrophobicContact CD2-CG 4.1Å; L41-Y83 HydrophobicContact CG-CD2 4.23Å; L41-Y83 HydrophobicContact CG-CE2 3.96Å
42Q96.5Very high94.8Very high90 Ų9069.7 Ų69.742%0.42134%0.341SS..Hα-helixtrans-64.7-46.8176-75.4173.6-3.200111.9K38 W39 L40 S45K38-Q42 WeakPolarHBondContact O-CB 3.22Å; K38-Q42 VanDerWaalsContact O-CG 3.25Å; K38-Q42 WeakPolarHBondContact O-CG 3.37Å; K38-Q42 PolarHBondContact O-N 2.68Å; W39-Q42 WeakPolarHBondContact O-CB 3.47Å; W39-Q42 PolarHBondContact O-N 3.02Å; W39-Q42 VanDerWaalsContact O-N 3.14Å; L40-Q42 VanDerWaalsContact C-N 3.33Å; L40-Q42 PolarHBondContact O-N 3.45Å; Q42-S45 PolarHBondContact O-N 3.27Å; Q42-S45 PolarHBondContact O-OG 2.86Å
43E96.1Very high94.6Very high52 Ų5261.5 Ų61.524%0.24331%0.313CS..Hα-helixtrans-65.4-47.2177.1-66.7-48.7123.700111.5W39 L40 S45 K46 Y111W39-E43 HydrophobicContact CD2-CG 4.03Å; W39-E43 HydrophobicContact CE3-CG 4.46Å; W39-E43 HydrophobicContact CH2-CG 3.95Å; W39-E43 HydrophobicContact CZ2-CG 3.52Å; W39-E43 HydrophobicContact CZ3-CG 4.4Å; W39-E43 PolarHBondContact O-N 3.44Å; L40-E43 PolarHBondContact O-N 3.21Å; E43-S45 PolarHBondContact O-N 2.92Å; E43-K46 WeakPolarHBondContact O-CB 3.29Å; E43-K46 PolarHBondContact O-N 2.73Å; E43-K46 VanDerWaalsContact O-N 3.09Å; E43-K46 IonicContact OE1-NZ 3Å; E43-K46 PolarHBondContact OE1-NZ 2.79Å; E43-K46 IonicContact OE2-NZ 3.11Å; E43-K46 PolarHBondContact OE2-NZ 3.38Å; E43-Y111 HydrophobicContact CB-CD1 4.06Å; E43-Y111 HydrophobicContact CB-CE1 4.03Å
44T95.3Very high94.5Very high0 Ų061.1 Ų61.10%031%0.311CS..Hα-helixtrans-59.8-35.8177.9-52.70000111.3L40 K46 H47 S50 L53 Y80 T81L40-T44 VanDerWaalsContact O-CB 3.27Å; L40-T44 WeakPolarHBondContact O-CB 3.41Å; L40-T44 PolarHBondContact O-N 2.71Å; L40-T44 PolarHBondContact O-OG1 2.74Å; T44-K46 PolarHBondContact O-N 2.95Å; T44-H47 WeakPolarHBondContact O-CB 3.37Å; T44-H47 PolarHBondContact O-N 3.19Å; T44-S50 WeakPolarHBondContact O-CB 3.2Å; T44-L53 HydrophobicContact CG2-CD1 3.37Å; T44-L53 HydrophobicContact CG2-CD2 4.27Å; T44-L53 HydrophobicContact CG2-CG 3.79Å; T44-Y80 HydrophobicContact CG2-CE1 3.81Å; T44-T81 HydrophobicContact CG2-CG2 3.73Å; T44-T81 WeakPolarHBondContact CG2-OG1 3.4Å; T44-T81 WeakPolarHBondContact OG1-CB 3.26Å; T44-T81 PolarHBondContact OG1-OG1 2.89Å
45S94.2Very high94.2Very high77 Ų7761.5 Ų61.554%0.53831%0.314SS..THydrogen-bonded Turntrans-59.6-20179.377.90000114.6L41 Q42 E43 H47L41-S45 VanDerWaalsContact O-CB 3.29Å; L41-S45 WeakPolarHBondContact O-CB 3.45Å; L41-S45 PolarHBondContact O-N 2.84Å; Q42-S45 PolarHBondContact O-N 3.27Å; Q42-S45 PolarHBondContact O-OG 2.86Å; E43-S45 PolarHBondContact O-N 2.92Å; S45-H47 VanDerWaalsContact C-N 3.35Å
46K93.4Very high94.1Very high137 Ų13753.4 Ų53.460%0.59628%0.28SS*.THydrogen-bonded Turntrans-81.2-18.5176.2-54.9171.6-165.9167.80112.1E43 T44E43-K46 WeakPolarHBondContact O-CB 3.29Å; E43-K46 PolarHBondContact O-N 2.73Å; E43-K46 VanDerWaalsContact O-N 3.09Å; E43-K46 IonicContact OE1-NZ 3Å; E43-K46 PolarHBondContact OE1-NZ 2.79Å; E43-K46 IonicContact OE2-NZ 3.11Å; E43-K46 PolarHBondContact OE2-NZ 3.38Å; T44-K46 PolarHBondContact O-N 2.95Å
47H91.8Very high93.9Very high30 Ų3055 Ų5514%0.13929%0.288CS..SBendtrans-74.8138.9179.7-166-93.1000111.2T44 S45 M49 S50 Y80 Y107T44-H47 WeakPolarHBondContact O-CB 3.37Å; T44-H47 PolarHBondContact O-N 3.19Å; S45-H47 VanDerWaalsContact C-N 3.35Å; H47-M49 PolarHBondContact ND1-N 3.29Å; H47-M49 VanDerWaalsContact ND1-N 3.13Å; H47-M49 PolarHBondContact O-N 3.03Å; H47-M49 VanDerWaalsContact O-N 3.16Å; H47-S50 VanDerWaalsContact O-CB 3.25Å; H47-S50 WeakPolarHBondContact O-CB 3.21Å; H47-S50 PolarHBondContact O-N 3.38Å; H47-S50 PolarHBondContact O-OG 2.92Å; H47-Y80 AromaticContact ND1-CZ 3.98Å; H47-Y80 PolarHBondContact ND1-OH 2.86Å; H47-Y107 AromaticContact NE2-CE1 3.78Å
48P92.5Very high93.8Very high121 Ų12154.5 Ų54.579%0.78629%0.286SS*.THydrogen-bonded Turntrans-57.6-30.9180-27.135.4000114.4
49M91.1Very high93.8Very high81 Ų8151.7 Ų51.740%0.39927%0.273SS..THydrogen-bonded Turntrans-95.218.9179.1-53.4-163.9-66.200114.1H47 L51 M52 Y80 Y107H47-M49 PolarHBondContact ND1-N 3.29Å; H47-M49 VanDerWaalsContact ND1-N 3.13Å; H47-M49 PolarHBondContact O-N 3.03Å; H47-M49 VanDerWaalsContact O-N 3.16Å; M49-L51 PolarHBondContact O-N 2.64Å; M49-M52 HydrophobicContact CB-CE 3.68Å; M49-M52 HydrophobicContact CB-CG 4.35Å; M49-M52 HydrophobicContact CB-SD 4.07Å; M49-M52 HydrophobicContact CE-CE 3.92Å; M49-M52 WeakPolarHBondContact O-CB 3.22Å; M49-M52 WeakPolarHBondContact O-CG 3.44Å; M49-M52 PolarHBondContact O-N 2.98Å; M49-M52 HydrophobicContact SD-CE 4.28Å; M49-M52 HydrophobicContact SD-SD 4.26Å; M49-Y80 PolarHBondContact O-OH 3.21Å; M49-Y107 WeakPolarHBondContact CE-OH 3.33Å
50S89.9Confident93.8Very high33 Ų3350 Ų5023%0.23127%0.269CS..G310 helixtrans-56.3-19.8-178.656.60000115.2T44 H47 M52 L53T44-S50 WeakPolarHBondContact O-CB 3.2Å; H47-S50 VanDerWaalsContact O-CB 3.25Å; H47-S50 WeakPolarHBondContact O-CB 3.21Å; H47-S50 PolarHBondContact O-N 3.38Å; H47-S50 PolarHBondContact O-OG 2.92Å; S50-M52 PolarHBondContact O-N 3.42Å; S50-L53 PolarHBondContact O-N 3.07Å
51L87.6Confident93.8Very high144 Ų14453.2 Ų53.275%0.75429%0.285SS*.G310 helixtrans-67.9-9.6175.3-65.6175.2000114.2M49 L53M49-L51 PolarHBondContact O-N 2.64Å; L51-L53 VanDerWaalsContact C-N 3.29Å
52M88.2Confident93.8Very high85 Ų8552.2 Ų52.242%0.41928%0.28SS..G310 helixtrans-78.2-12175.5-62-173.4-44.300113.1M49 S50 I54 Y80M49-M52 HydrophobicContact CB-CE 3.68Å; M49-M52 HydrophobicContact CB-CG 4.35Å; M49-M52 HydrophobicContact CB-SD 4.07Å; M49-M52 HydrophobicContact CE-CE 3.92Å; M49-M52 WeakPolarHBondContact O-CB 3.22Å; M49-M52 WeakPolarHBondContact O-CG 3.44Å; M49-M52 PolarHBondContact O-N 2.98Å; M49-M52 HydrophobicContact SD-CE 4.28Å; M49-M52 HydrophobicContact SD-SD 4.26Å; S50-M52 PolarHBondContact O-N 3.42Å; M52-I54 PolarHBondContact O-N 3.48Å; M52-Y80 HydrophobicContact CB-CD1 4.12Å; M52-Y80 HydrophobicContact CB-CE1 4.1Å; M52-Y80 HydrophobicContact CE-CD1 3.87Å; M52-Y80 HydrophobicContact CE-CD2 3.41Å; M52-Y80 VanDerWaalsContact CE-CD2 3.41Å; M52-Y80 HydrophobicContact CE-CE1 3.74Å; M52-Y80 HydrophobicContact CE-CE2 3.3Å; M52-Y80 HydrophobicContact CE-CG 3.73Å; M52-Y80 VanDerWaalsContact CE-CZ 3.48Å
53L91.7Very high93.9Very high43 Ų4348.2 Ų48.223%0.22526%0.262CS..SBendtrans-67130.7179.1-79.7173000111.7L41 T44 S50 L51 Y80 Y83L41-L53 HydrophobicContact CD2-CD1 3.81Å; T44-L53 HydrophobicContact CG2-CD1 3.37Å; T44-L53 HydrophobicContact CG2-CD2 4.27Å; T44-L53 HydrophobicContact CG2-CG 3.79Å; S50-L53 PolarHBondContact O-N 3.07Å; L51-L53 VanDerWaalsContact C-N 3.29Å; L53-Y80 HydrophobicContact CD2-CD1 4.24Å; L53-Y80 HydrophobicContact CG-CD1 4.37Å; L53-Y80 HydrophobicContact CG-CE1 4.29Å; L53-Y83 HydrophobicContact CD2-CD1 4.26Å; L53-Y83 HydrophobicContact CD2-CG 4.27Å
54I93.8Very high94Very high10 Ų1050.1 Ų50.15%0.05127%0.274CS..PPolyproline II helixtrans-52.2145.4159.8-173.7164.1000111M52 E58 M59 L62 Y83 M152 D180M52-I54 PolarHBondContact O-N 3.48Å; I54-E58 HydrophobicContact CD1-CB 3.89Å; I54-E58 HydrophobicContact CG1-CB 3.78Å; I54-M59 HydrophobicContact CD1-SD 4.48Å; I54-M59 HydrophobicContact CG2-CB 4.34Å; I54-M59 HydrophobicContact CG2-SD 4.13Å; I54-L62 HydrophobicContact CD1-CD1 4.03Å; I54-Y83 HydrophobicContact CG2-CD1 3.94Å; I54-Y83 HydrophobicContact CG2-CE1 4.37Å; I54-M152 HydrophobicContact CD1-CE 3.45Å; I54-M152 VanDerWaalsContact CD1-CE 3.45Å; I54-D180 HydrophobicContact CD1-CB 4.41Å
55S92.5Very high94.2Very high39 Ų3952.4 Ų52.427%0.27329%0.286SS..PPolyproline II helixtrans-68.7148.4-180800000112I57 E58 M59S55-I57 PolarHBondContact O-N 3.44Å; S55-E58 WeakPolarHBondContact CB-OE2 3.42Å; S55-E58 PolarHBondContact N-OE2 3.41Å; S55-E58 PolarHBondContact O-N 3.47Å; S55-E58 WeakPolarHBondContact OG-CB 3.41Å; S55-E58 VanDerWaalsContact OG-CD 3.22Å; S55-E58 VanDerWaalsContact OG-CG 3.29Å; S55-E58 WeakPolarHBondContact OG-CG 3.38Å; S55-E58 PolarHBondContact OG-N 2.8Å; S55-E58 PolarHBondContact OG-OE2 3.2Å; S55-M59 PolarHBondContact O-N 3.33Å
56S95.1Very high94.4Very high13 Ų1348.8 Ų48.89%0.09126%0.26CS..Hα-helixtrans-62.2-28.6178.3-60.10000113.9L31 L41 Q60 Y83L31-S56 WeakPolarHBondContact CD1-O 3.37Å; L41-S56 WeakPolarHBondContact CD1-OG 3.49Å; S56-Q60 VanDerWaalsContact O-CB 3.29Å; S56-Q60 WeakPolarHBondContact O-CB 3.38Å; S56-Q60 PolarHBondContact O-N 2.75Å; S56-Y83 WeakPolarHBondContact CA-OH 3.28Å; S56-Y83 VanDerWaalsContact CB-OH 3.3Å; S56-Y83 WeakPolarHBondContact CB-OH 3.49Å; S56-Y83 PolarHBondContact OG-OH 3.27Å
57I93.8Very high94.7Very high38 Ų3850 Ų5020%0.19526%0.263CS..Hα-helixtrans-70.9-44.3176.7-67.4-64.9000110.6I26 L31 S55 Q60 L61I26-I57 HydrophobicContact CG2-CD1 3.73Å; I26-I57 HydrophobicContact CG2-CG1 4.29Å; L31-I57 HydrophobicContact CB-CD1 4.06Å; L31-I57 HydrophobicContact CD1-CD1 3.97Å; L31-I57 HydrophobicContact CG-CD1 4.46Å; S55-I57 PolarHBondContact O-N 3.44Å; I57-Q60 PolarHBondContact O-N 3.47Å; I57-L61 PolarHBondContact O-N 2.9Å
58E96Very high95Very high3 Ų351.3 Ų51.31%0.01428%0.284CS..Hα-helixtrans-62.7-46.8174.7-73.2161.7149.400110.7I54 S55 Q60 L61 L62 T221 G222 L225I54-E58 HydrophobicContact CD1-CB 3.89Å; I54-E58 HydrophobicContact CG1-CB 3.78Å; S55-E58 WeakPolarHBondContact CB-OE2 3.42Å; S55-E58 PolarHBondContact N-OE2 3.41Å; S55-E58 PolarHBondContact O-N 3.47Å; S55-E58 WeakPolarHBondContact OG-CB 3.41Å; S55-E58 VanDerWaalsContact OG-CD 3.22Å; S55-E58 VanDerWaalsContact OG-CG 3.29Å; S55-E58 WeakPolarHBondContact OG-CG 3.38Å; S55-E58 PolarHBondContact OG-N 2.8Å; S55-E58 PolarHBondContact OG-OE2 3.2Å; E58-Q60 VanDerWaalsContact C-N 3.32Å; E58-Q60 PolarHBondContact O-N 2.97Å; E58-L61 WeakPolarHBondContact O-CB 3.45Å; E58-L61 PolarHBondContact O-N 3.36Å; E58-L61 VanDerWaalsContact O-N 3.11Å; E58-L62 WeakPolarHBondContact O-CG 3.46Å; E58-L62 PolarHBondContact O-N 3.3Å; E58-T221 HydrophobicContact CG-CG2 3.75Å; E58-T221 WeakPolarHBondContact CG-OG1 3.43Å; E58-T221 WeakPolarHBondContact OE1-CB 3.49Å; E58-T221 VanDerWaalsContact OE1-CG2 3.24Å; E58-T221 WeakPolarHBondContact OE1-CG2 3.34Å; E58-T221 VanDerWaalsContact OE1-O 3.05Å; E58-T221 PolarHBondContact OE1-OG1 2.88Å; E58-G222 WeakPolarHBondContact OE1-CA 3.48Å; E58-G222 PolarHBondContact OE1-N 3.06Å; E58-L225 HydrophobicContact CB-CD2 4.46Å; E58-L225 HydrophobicContact CG-CD2 4.3Å
59M97.5Very high95.2Very high0 Ų047.7 Ų47.70%026%0.257CS..Hα-helixtrans-63.5-39.8-179.6-16060.4-111.200111.8I54 S55 L61 L62 S63 Y83 S87 I88I54-M59 HydrophobicContact CD1-SD 4.48Å; I54-M59 HydrophobicContact CG2-CB 4.34Å; I54-M59 HydrophobicContact CG2-SD 4.13Å; S55-M59 PolarHBondContact O-N 3.33Å; M59-L61 PolarHBondContact O-N 3.15Å; M59-L62 HydrophobicContact CE-CB 3.72Å; M59-L62 HydrophobicContact CE-CD1 4.34Å; M59-L62 PolarHBondContact O-N 3.29Å; M59-S63 WeakPolarHBondContact O-CB 3.11Å; M59-S63 PolarHBondContact O-N 3.27Å; M59-S63 PolarHBondContact O-OG 2.86Å; M59-Y83 HydrophobicContact CB-CD1 4.48Å; M59-Y83 HydrophobicContact CB-CE1 3.77Å; M59-Y83 HydrophobicContact CG-CD1 4.32Å; M59-Y83 HydrophobicContact CG-CE1 3.97Å; M59-S87 WeakPolarHBondContact CG-OG 3.47Å; M59-I88 HydrophobicContact CE-CD1 4.14Å; M59-I88 HydrophobicContact CE-CG1 3.66Å
60Q97.5Very high95.6Very high34 Ų3449.9 Ų49.916%0.15927%0.271CS..Hα-helixtrans-63.7-39.5174.1-174.6174.1-86.200112.5S30 L31 S56 I57 E58 N64S30-Q60 PolarHBondContact O-NE2 2.87Å; S30-Q60 PolarHBondContact O-OE1 2.8Å; L31-Q60 HydrophobicContact CD1-CB 4.28Å; S56-Q60 VanDerWaalsContact O-CB 3.29Å; S56-Q60 WeakPolarHBondContact O-CB 3.38Å; S56-Q60 PolarHBondContact O-N 2.75Å; I57-Q60 PolarHBondContact O-N 3.47Å; E58-Q60 VanDerWaalsContact C-N 3.32Å; E58-Q60 PolarHBondContact O-N 2.97Å; Q60-N64 WeakPolarHBondContact O-CB 3.39Å; Q60-N64 VanDerWaalsContact O-CG 3.23Å; Q60-N64 PolarHBondContact O-N 3.49Å; Q60-N64 PolarHBondContact O-ND2 2.79Å
61L97.7Very high96Very high66 Ų6648.4 Ų48.435%0.34626%0.261SS..Hα-helixtrans-58.7-50.1173.1169.863.5000110.6I57 E58 M59 N64 L65 L219 L225 I227I57-L61 PolarHBondContact O-N 2.9Å; E58-L61 WeakPolarHBondContact O-CB 3.45Å; E58-L61 PolarHBondContact O-N 3.36Å; E58-L61 VanDerWaalsContact O-N 3.11Å; M59-L61 PolarHBondContact O-N 3.15Å; L61-N64 WeakPolarHBondContact O-CB 3.38Å; L61-N64 PolarHBondContact O-N 2.99Å; L61-L65 HydrophobicContact CD1-CD1 4.43Å; L61-L65 HydrophobicContact CD1-CG 4.4Å; L61-L65 HydrophobicContact CG-CD1 4.38Å; L61-L65 WeakPolarHBondContact O-CG 3.06Å; L61-L65 PolarHBondContact O-N 3.03Å; L61-L219 HydrophobicContact CD2-CD1 4.17Å; L61-L225 HydrophobicContact CD2-CD2 4.22Å; L61-I227 HydrophobicContact CD2-CD1 4.19Å
62L98.6Very high96.5Very high0 Ų047.5 Ų47.50%025%0.247CC..Hα-helixtrans-64.6-42.6-178.4-64.9-178.3000112.3I54 E58 M59 N64 L65 C66 F150 M152 A178 L225I54-L62 HydrophobicContact CD1-CD1 4.03Å; E58-L62 WeakPolarHBondContact O-CG 3.46Å; E58-L62 PolarHBondContact O-N 3.3Å; M59-L62 HydrophobicContact CE-CB 3.72Å; M59-L62 HydrophobicContact CE-CD1 4.34Å; M59-L62 PolarHBondContact O-N 3.29Å; L62-N64 VanDerWaalsContact C-N 3.33Å; L62-N64 PolarHBondContact O-N 2.95Å; L62-L65 HydrophobicContact CD2-CD1 4.16Å; L62-L65 WeakPolarHBondContact O-CB 3.3Å; L62-L65 PolarHBondContact O-N 3.31Å; L62-L65 VanDerWaalsContact O-N 3.13Å; L62-C66 PolarHBondContact O-N 3.15Å; L62-F150 HydrophobicContact CB-CZ 4.25Å; L62-F150 HydrophobicContact CD1-CZ 4.48Å; L62-F150 HydrophobicContact CD2-CE2 4.39Å; L62-F150 HydrophobicContact CD2-CZ 4.36Å; L62-M152 HydrophobicContact CD1-CE 3.95Å; L62-M152 HydrophobicContact CD1-SD 3.47Å; L62-M152 WeakPolarHBondContact CD1-SD 3.1Å; L62-A178 HydrophobicContact CD1-CB 3.83Å; L62-A178 HydrophobicContact CD2-CB 3.47Å; L62-A178 VanDerWaalsContact CD2-CB 3.47Å; L62-A178 HydrophobicContact CG-CB 4.28Å; L62-L225 HydrophobicContact CD1-CD1 4.3Å; L62-L225 HydrophobicContact CD2-CD2 4.13Å; L62-L225 HydrophobicContact CG-CD2 4.44Å
63S98.5Very high97.1Very high7 Ų746.2 Ų46.25%0.04924%0.24CC..Hα-helixtrans-60.1-41.6172.3-68.20000111.8M59 L65 C66 Y67 S87 V91M59-S63 WeakPolarHBondContact O-CB 3.11Å; M59-S63 PolarHBondContact O-N 3.27Å; M59-S63 PolarHBondContact O-OG 2.86Å; S63-L65 VanDerWaalsContact C-N 3.31Å; S63-L65 PolarHBondContact O-N 3.45Å; S63-C66 WeakPolarHBondContact O-CB 3.38Å; S63-C66 PolarHBondContact O-N 3.38Å; S63-Y67 PolarHBondContact O-N 3.02Å; S63-S87 PolarHBondContact OG-O 3.44Å; S63-V91 WeakPolarHBondContact O-CG2 3.31Å
64N98.4Very high97.4Very high91 Ų9144.2 Ų44.249%0.48723%0.229SC..Hα-helixtrans-65.1-33.7174.9-75.5-25.1000112.6Q60 L61 L62 Y67 G68Q60-N64 WeakPolarHBondContact O-CB 3.39Å; Q60-N64 VanDerWaalsContact O-CG 3.23Å; Q60-N64 PolarHBondContact O-N 3.49Å; Q60-N64 PolarHBondContact O-ND2 2.79Å; L61-N64 WeakPolarHBondContact O-CB 3.38Å; L61-N64 PolarHBondContact O-N 2.99Å; L62-N64 VanDerWaalsContact C-N 3.33Å; L62-N64 PolarHBondContact O-N 2.95Å; N64-Y67 PolarHBondContact O-N 2.84Å; N64-G68 PolarHBondContact O-N 3.35Å
65L98.6Very high97.6Very high48 Ų4843.7 Ų43.725%0.25123%0.226SC..Hα-helixtrans-66.1-46173.2-68.6172.5000111.2L61 L62 S63 Y67 G68 I69 I176 I227L61-L65 HydrophobicContact CD1-CD1 4.43Å; L61-L65 HydrophobicContact CD1-CG 4.4Å; L61-L65 HydrophobicContact CG-CD1 4.38Å; L61-L65 WeakPolarHBondContact O-CG 3.06Å; L61-L65 PolarHBondContact O-N 3.03Å; L62-L65 HydrophobicContact CD2-CD1 4.16Å; L62-L65 WeakPolarHBondContact O-CB 3.3Å; L62-L65 PolarHBondContact O-N 3.31Å; L62-L65 VanDerWaalsContact O-N 3.13Å; S63-L65 VanDerWaalsContact C-N 3.31Å; S63-L65 PolarHBondContact O-N 3.45Å; L65-Y67 VanDerWaalsContact C-N 3.31Å; L65-Y67 PolarHBondContact O-N 2.8Å; L65-G68 PolarHBondContact O-N 3.42Å; L65-I69 WeakPolarHBondContact O-CG1 3.36Å; L65-I69 PolarHBondContact O-N 3.11Å; L65-I176 HydrophobicContact CB-CD1 4.07Å; L65-I227 HydrophobicContact CD1-CD1 3.85Å; L65-I227 HydrophobicContact CD1-CG2 4.44Å
66C98.8Very high97.9Very high1 Ų141.9 Ų41.91%0.00721%0.213CC..Hα-helixtrans-55.1-46.6173.1-720000111.6L62 S63 N70 A71 V91 F150L62-C66 PolarHBondContact O-N 3.15Å; S63-C66 WeakPolarHBondContact O-CB 3.38Å; S63-C66 PolarHBondContact O-N 3.38Å; C66-N70 PolarHBondContact O-N 2.94Å; C66-A71 HydrophobicContact CB-CB 4.03Å; C66-A71 VanDerWaalsContact O-CB 3.32Å; C66-A71 WeakPolarHBondContact O-CB 3.43Å; C66-A71 PolarHBondContact O-N 3.45Å; C66-V91 HydrophobicContact CB-CG2 3.98Å; C66-F150 VanDerWaalsContact SG-CD2 3.51Å; C66-F150 WeakPolarHBondContact SG-CG 3.35Å
67Y98.5Very high98.1Very high163 Ų16341.2 Ų41.264%0.63921%0.209SC*.Hα-helixtrans-60.3-49.2175.5-174.8-93.6000111.7S63 N64 L65 I69 N70 V91S63-Y67 PolarHBondContact O-N 3.02Å; N64-Y67 PolarHBondContact O-N 2.84Å; L65-Y67 VanDerWaalsContact C-N 3.31Å; L65-Y67 PolarHBondContact O-N 2.8Å; Y67-I69 VanDerWaalsContact C-N 3.31Å; Y67-I69 PolarHBondContact O-N 3.05Å; Y67-N70 PolarHBondContact O-N 3.27Å; Y67-V91 HydrophobicContact CD2-CB 4.46Å
68G98.3Very high98.3Very high57 Ų5740 Ų4059%0.58821%0.206SC*.Hα-helixtrans-64.2-30.4-176.600000114.3N64 L65 N70N64-G68 PolarHBondContact O-N 3.35Å; L65-G68 PolarHBondContact O-N 3.42Å; G68-N70 VanDerWaalsContact C-N 3.33Å
69I98.2Very high98.4Very high45 Ų4540.1 Ų40.123%0.23121%0.207CC..THydrogen-bonded Turntrans-89.74175.572.2173.6000113.6L65 Y67 A71 D149 I176L65-I69 WeakPolarHBondContact O-CG1 3.36Å; L65-I69 PolarHBondContact O-N 3.11Å; Y67-I69 VanDerWaalsContact C-N 3.31Å; Y67-I69 PolarHBondContact O-N 3.05Å; I69-A71 VanDerWaalsContact C-N 3.3Å; I69-A71 HydrophobicContact CD1-CB 4.25Å; I69-A71 HydrophobicContact CG1-CB 3.98Å; I69-A71 PolarHBondContact O-N 3.1Å; I69-D149 HydrophobicContact CD1-CB 4.29Å; I69-D149 WeakPolarHBondContact CD1-O 3.4Å; I69-I176 HydrophobicContact CD1-CD1 4.1Å; I69-I176 HydrophobicContact CD1-CG1 4.2Å; I69-I176 HydrophobicContact CG2-CD1 3.82Å
70N98.3Very high98.4Very high128 Ų12841.2 Ų41.268%0.68421%0.211SC*.THydrogen-bonded Turntrans52.346.1-171.1-62.4-73.8000112.6C66 Y67 G68C66-N70 PolarHBondContact O-N 2.94Å; Y67-N70 PolarHBondContact O-N 3.27Å; G68-N70 VanDerWaalsContact C-N 3.33Å
71A98.8Very high98.4Very high2 Ų239.6 Ų39.62%0.01720%0.204CC..  trans-57.5140.4178.900000111.2C66 I69 T74 L92 P93 D149C66-A71 HydrophobicContact CB-CB 4.03Å; C66-A71 VanDerWaalsContact O-CB 3.32Å; C66-A71 WeakPolarHBondContact O-CB 3.43Å; C66-A71 PolarHBondContact O-N 3.45Å; I69-A71 VanDerWaalsContact C-N 3.3Å; I69-A71 HydrophobicContact CD1-CB 4.25Å; I69-A71 HydrophobicContact CG1-CB 3.98Å; I69-A71 PolarHBondContact O-N 3.1Å; A71-T74 HydrophobicContact CB-CG2 4.03Å; A71-L92 HydrophobicContact CB-CD2 3.9Å; A71-L92 WeakPolarHBondContact O-CD2 3.31Å; A71-P93 WeakPolarHBondContact O-CD 3.28Å; A71-D149 HydrophobicContact CB-CB 3.76Å
72R98.8Very high98.5Very high124 Ų12436.5 Ų36.547%0.46819%0.187SC..  trans-123.9-39.3175.5-68.7-175.9-179-88.7-8.8111.7P93 D95 G96 R97 D149R72-P93 HydrophobicContact CG-CG 3.85Å; R72-D95 IonicContact CZ-OD2 3.87Å; R72-D95 IonicContact NH1-OD1 2.71Å; R72-D95 PolarHBondContact NH1-OD1 2.81Å; R72-D95 IonicContact NH1-OD2 2.7Å; R72-D95 PolarHBondContact NH1-OD2 2.9Å; R72-G96 CarbonylContact O-C 3.5Å; R72-G96 WeakPolarHBondContact O-CA 3.31Å; R72-R97 PolarHBondContact O-N 2.8Å; R72-D149 WeakPolarHBondContact CA-OD2 3.47Å; R72-D149 PolarHBondContact N-OD2 2.78Å
73K98.9Very high98.4Very high59 Ų5936.6 Ų36.626%0.25719%0.188SC..EExtended strand (participates in β ladder)trans-122.8116.7-178.2-165.7-178.9-178.1172.60109.7R97 E144 F148 D149K73-R97 WeakPolarHBondContact CA-O 3.47Å; K73-E144 IonicContact NZ-OE1 2.84Å; K73-E144 PolarHBondContact NZ-OE1 2.93Å; K73-E144 IonicContact NZ-OE2 2.66Å; K73-E144 PolarHBondContact NZ-OE2 2.91Å; K73-F148 HydrophobicContact CB-CD1 4.4Å; K73-F148 HydrophobicContact CD-CD1 4.17Å; K73-F148 HydrophobicContact CD-CE1 4.08Å; K73-F148 HydrophobicContact CD-CG 4.49Å; K73-F148 HydrophobicContact CD-CZ 4.29Å; K73-F148 HydrophobicContact CG-CD1 3.69Å; K73-F148 HydrophobicContact CG-CE1 3.73Å; K73-F148 HydrophobicContact CG-CG 4.39Å; K73-F148 HydrophobicContact CG-CZ 4.42Å; K73-F148 CarbonylContact O-C 3.49Å; K73-F148 WeakPolarHBondContact O-CA 3.25Å; K73-D149 PolarHBondContact N-OD2 3.17Å; K73-D149 PolarHBondContact O-N 2.88Å
74T98.9Very high98.4Very high0 Ų036.8 Ų36.80%019%0.189CC..EExtended strand (participates in β ladder)trans-129.1155.7-173.271.10000112.4A71 I88 L92 R97 V98 L99 F150A71-T74 HydrophobicContact CB-CG2 4.03Å; T74-I88 HydrophobicContact CG2-CG2 3.95Å; T74-I88 WeakPolarHBondContact OG1-CG2 3.44Å; T74-L92 HydrophobicContact CG2-CD1 4.19Å; T74-L92 HydrophobicContact CG2-CD2 3.95Å; T74-R97 PolarHBondContact N-O 2.83Å; T74-R97 PolarHBondContact OG1-O 2.82Å; T74-V98 WeakPolarHBondContact O-CA 3.29Å; T74-V98 WeakPolarHBondContact OG1-CG2 3.35Å; T74-L99 PolarHBondContact O-N 2.67Å; T74-F150 CarbonylContact C-O 3.57Å; T74-F150 VanDerWaalsContact CA-O 3.22Å; T74-F150 WeakPolarHBondContact CA-O 3.29Å; T74-F150 HydrophobicContact CG2-CB 3.85Å
75L98.9Very high98.4Very high0 Ų032.4 Ų32.40%017%0.165CC..EExtended strand (participates in β ladder)trans-109.1141173-71159.4000110.3L99 L136 L139 F148 F150 A151 M152 L170L75-L99 WeakPolarHBondContact CA-O 3.23Å; L75-L99 HydrophobicContact CD2-CB 4.01Å; L75-L99 HydrophobicContact CD2-CD2 3.74Å; L75-L99 HydrophobicContact CD2-CG 4.03Å; L75-L136 HydrophobicContact CD1-CD2 4.02Å; L75-L136 HydrophobicContact CD2-CD2 3.97Å; L75-L139 HydrophobicContact CD2-CD1 4.24Å; L75-F148 HydrophobicContact CD1-CB 4.33Å; L75-F148 HydrophobicContact CD1-CD1 3.9Å; L75-F148 HydrophobicContact CD1-CD2 4.1Å; L75-F148 HydrophobicContact CD1-CE1 4.15Å; L75-F148 HydrophobicContact CD1-CE2 4.35Å; L75-F148 HydrophobicContact CD1-CG 3.85Å; L75-F148 HydrophobicContact CD1-CZ 4.35Å; L75-F148 HydrophobicContact CD2-CD1 4.11Å; L75-F148 HydrophobicContact CD2-CE1 3.57Å; L75-F148 HydrophobicContact CD2-CE2 4.49Å; L75-F148 HydrophobicContact CD2-CZ 3.79Å; L75-F148 HydrophobicContact CG-CD1 3.47Å; L75-F148 VanDerWaalsContact CG-CD1 3.47Å; L75-F148 HydrophobicContact CG-CD2 4.48Å; L75-F148 HydrophobicContact CG-CE1 3.49Å; L75-F148 VanDerWaalsContact CG-CE1 3.49Å; L75-F148 HydrophobicContact CG-CG 3.97Å; L75-F148 HydrophobicContact CG-CZ 4.04Å; L75-F150 PolarHBondContact N-O 2.84Å; L75-A151 HydrophobicContact CB-CB 3.89Å; L75-A151 HydrophobicContact CD1-CB 4.22Å; L75-A151 CarbonylContact O-C 3.17Å; L75-A151 WeakPolarHBondContact O-CA 3.18Å; L75-M152 PolarHBondContact O-N 2.67Å; L75-L170 HydrophobicContact CD1-CB 4.21Å; L75-L170 HydrophobicContact CD1-CD1 3.96Å
76D98.8Very high98.4Very high0 Ų030.1 Ų30.10%015%0.154CC..EExtended strand (participates in β ladder)trans-128.4102.8171-177.633.1000108.6S84 S85 V98 L99 A100 L101D76-S84 VanDerWaalsContact OD1-CB 3.3Å; D76-S84 WeakPolarHBondContact OD1-CB 3.24Å; D76-S84 PolarHBondContact OD1-OG 3.44Å; D76-S84 PolarHBondContact OD2-OG 3.45Å; D76-S85 WeakPolarHBondContact OD2-CA 3.35Å; D76-S85 WeakPolarHBondContact OD2-CB 3.3Å; D76-S85 PolarHBondContact OD2-N 3.4Å; D76-S85 PolarHBondContact OD2-OG 3.32Å; D76-V98 HydrophobicContact CB-CG1 3.88Å; D76-L99 PolarHBondContact N-O 3.27Å; D76-A100 HydrophobicContact CB-CB 4.46Å; D76-L101 PolarHBondContact O-N 2.97Å
77V98.8Very high98.4Very high0 Ų030.1 Ų30.10%015%0.154CC..EExtended strand (participates in β ladder)trans-101.6106.1-176.9-175.90000109.2L101 A132 L136 M152 D154 A155 Y163V77-L101 HydrophobicContact CG2-CD1 4.32Å; V77-A132 HydrophobicContact CG1-CB 3.66Å; V77-L136 HydrophobicContact CG2-CD1 4.33Å; V77-M152 WeakPolarHBondContact CB-O 3.43Å; V77-M152 PolarHBondContact N-O 3.36Å; V77-D154 CarbonylContact O-C 3.53Å; V77-D154 PolarHBondContact O-N 2.9Å; V77-A155 HydrophobicContact CG1-CB 4.07Å; V77-Y163 HydrophobicContact CG1-CD1 4.16Å; V77-Y163 HydrophobicContact CG1-CD2 4.48Å; V77-Y163 HydrophobicContact CG1-CE1 4.2Å; V77-Y163 HydrophobicContact CG1-CG 4.31Å
78G98.3Very high98.5Very high13 Ų1322.4 Ų22.413%0.13412%0.123CC..  trans94.191.8-16800000110.5L101G78-L101 PolarHBondContact N-O 3.45Å
79V98Very high98.5Very high4 Ų419.7 Ų19.72%0.02410%0.095CC..  trans-91.1-38.6-172.7178.10000111.1T81 G82 A100 D102 W116 F127V79-T81 PolarHBondContact O-N 3.06Å; V79-G82 WeakPolarHBondContact O-CA 3.45Å; V79-G82 PolarHBondContact O-N 2.99Å; V79-A100 HydrophobicContact CG2-CB 3.67Å; V79-D102 WeakPolarHBondContact CA-OD2 3.48Å; V79-D102 HydrophobicContact CB-CB 3.96Å; V79-D102 WeakPolarHBondContact CB-OD2 3.43Å; V79-D102 HydrophobicContact CG2-CB 4.06Å; V79-D102 PolarHBondContact N-OD2 3.22Å; V79-W116 HydrophobicContact CG1-CZ2 4.2Å; V79-F127 HydrophobicContact CB-CE2 4.15Å; V79-F127 HydrophobicContact CG1-CD2 4.36Å; V79-F127 HydrophobicContact CG1-CE2 4.19Å; V79-F127 HydrophobicContact CG2-CD2 4.18Å; V79-F127 HydrophobicContact CG2-CE2 4.02Å
80Y97.6Very high98.5Very high24 Ų2420.2 Ų20.29%0.09410%0.097CC..THydrogen-bonded Turntrans48.6-118.4-170.5-177.2-143.4000110.9T44 H47 M49 M52 L53 G82 D102 Y107T44-Y80 HydrophobicContact CG2-CE1 3.81Å; H47-Y80 AromaticContact ND1-CZ 3.98Å; H47-Y80 PolarHBondContact ND1-OH 2.86Å; M49-Y80 PolarHBondContact O-OH 3.21Å; M52-Y80 HydrophobicContact CB-CD1 4.12Å; M52-Y80 HydrophobicContact CB-CE1 4.1Å; M52-Y80 HydrophobicContact CE-CD1 3.87Å; M52-Y80 HydrophobicContact CE-CD2 3.41Å; M52-Y80 VanDerWaalsContact CE-CD2 3.41Å; M52-Y80 HydrophobicContact CE-CE1 3.74Å; M52-Y80 HydrophobicContact CE-CE2 3.3Å; M52-Y80 HydrophobicContact CE-CG 3.73Å; M52-Y80 VanDerWaalsContact CE-CZ 3.48Å; L53-Y80 HydrophobicContact CD2-CD1 4.24Å; L53-Y80 HydrophobicContact CG-CD1 4.37Å; L53-Y80 HydrophobicContact CG-CE1 4.29Å; Y80-G82 VanDerWaalsContact C-N 3.28Å; Y80-G82 PolarHBondContact O-N 2.86Å; Y80-D102 PolarHBondContact N-OD2 2.97Å; Y80-Y107 AromaticContact CD2-CD2 3.59Å; Y80-Y107 HydrophobicContact CD2-CD2 3.59Å; Y80-Y107 AromaticContact CD2-CE2 3.53Å; Y80-Y107 HydrophobicContact CD2-CE2 3.53Å; Y80-Y107 HydrophobicContact CD2-CG 4.19Å; Y80-Y107 HydrophobicContact CE2-CD1 4.35Å; Y80-Y107 HydrophobicContact CE2-CD2 4.03Å; Y80-Y107 HydrophobicContact CE2-CE1 4.16Å; Y80-Y107 AromaticContact CE2-CE2 3.79Å; Y80-Y107 HydrophobicContact CE2-CE2 3.79Å; Y80-Y107 HydrophobicContact CE2-CG 4.31Å; Y80-Y107 AromaticContact CE2-CZ 3.89Å; Y80-Y107 WeakPolarHBondContact O-CB 3.48Å
81T97.7Very high98.5Very high0 Ų016.2 Ų16.20%08%0.077CC..THydrogen-bonded Turntrans-84.73.5177.8610000114.2L40 T44 V79 Y107 Y111 C112L40-T81 WeakPolarHBondContact CD1-O 3.44Å; T44-T81 HydrophobicContact CG2-CG2 3.73Å; T44-T81 WeakPolarHBondContact CG2-OG1 3.4Å; T44-T81 WeakPolarHBondContact OG1-CB 3.26Å; T44-T81 PolarHBondContact OG1-OG1 2.89Å; V79-T81 PolarHBondContact O-N 3.06Å; T81-Y107 HydrophobicContact CG2-CG 4.37Å; T81-Y111 HydrophobicContact CG2-CD1 4.01Å; T81-Y111 HydrophobicContact CG2-CD2 4.04Å; T81-Y111 HydrophobicContact CG2-CE1 4.5Å; T81-Y111 HydrophobicContact CG2-CG 3.76Å; T81-C112 PolarHBondContact O-SG 3.25Å
82G98Very high98.5Very high0 Ų016.5 Ų16.50%08%0.078CC..THydrogen-bonded Turntrans91.818.7169.800000115.4V79 Y80 S85 L86 W116V79-G82 WeakPolarHBondContact O-CA 3.45Å; V79-G82 PolarHBondContact O-N 2.99Å; Y80-G82 VanDerWaalsContact C-N 3.28Å; Y80-G82 PolarHBondContact O-N 2.86Å; G82-S85 WeakPolarHBondContact CA-OG 3.47Å; G82-S85 PolarHBondContact O-OG 3.31Å; G82-L86 WeakPolarHBondContact O-CB 3.24Å; G82-L86 PolarHBondContact O-N 3.21Å; G82-W116 PolarHBondContact O-NE1 2.99Å
83Y98.2Very high98.5Very high3 Ų312.2 Ų12.21%0.0127%0.066CC..Hα-helixtrans-69-41-177.3-177.2-126.8000113L33 Q37 L40 L41 L53 I54 S56 M59 S87L33-Y83 WeakPolarHBondContact CD2-OH 3.48Å; Q37-Y83 HydrophobicContact CB-CE2 4Å; Q37-Y83 HydrophobicContact CG-CE2 3.92Å; L40-Y83 HydrophobicContact CD2-CD2 4.45Å; L41-Y83 HydrophobicContact CD1-CE2 4.03Å; L41-Y83 HydrophobicContact CD2-CD1 4.07Å; L41-Y83 HydrophobicContact CD2-CD2 4.04Å; L41-Y83 HydrophobicContact CD2-CE1 3.99Å; L41-Y83 HydrophobicContact CD2-CE2 3.98Å; L41-Y83 HydrophobicContact CD2-CG 4.1Å; L41-Y83 HydrophobicContact CG-CD2 4.23Å; L41-Y83 HydrophobicContact CG-CE2 3.96Å; L53-Y83 HydrophobicContact CD2-CD1 4.26Å; L53-Y83 HydrophobicContact CD2-CG 4.27Å; I54-Y83 HydrophobicContact CG2-CD1 3.94Å; I54-Y83 HydrophobicContact CG2-CE1 4.37Å; S56-Y83 WeakPolarHBondContact CA-OH 3.28Å; S56-Y83 VanDerWaalsContact CB-OH 3.3Å; S56-Y83 WeakPolarHBondContact CB-OH 3.49Å; S56-Y83 PolarHBondContact OG-OH 3.27Å; M59-Y83 HydrophobicContact CB-CD1 4.48Å; M59-Y83 HydrophobicContact CB-CE1 3.77Å; M59-Y83 HydrophobicContact CG-CD1 4.32Å; M59-Y83 HydrophobicContact CG-CE1 3.97Å; Y83-S87 WeakPolarHBondContact CE2-OG 3.48Å; Y83-S87 VanDerWaalsContact O-CB 3.27Å; Y83-S87 WeakPolarHBondContact O-CB 3.29Å; Y83-S87 PolarHBondContact O-N 3.44Å; Y83-S87 PolarHBondContact O-OG 2.92Å
84S98.2Very high98.4Very high10 Ų1014.9 Ų14.97%0.079%0.09CC..Hα-helixtrans-64.9-56.117746.30000111.4D76 L86 S87 I88D76-S84 VanDerWaalsContact OD1-CB 3.3Å; D76-S84 WeakPolarHBondContact OD1-CB 3.24Å; D76-S84 PolarHBondContact OD1-OG 3.44Å; D76-S84 PolarHBondContact OD2-OG 3.45Å; S84-L86 VanDerWaalsContact C-N 3.34Å; S84-L86 PolarHBondContact O-N 2.93Å; S84-S87 PolarHBondContact O-N 3Å; S84-S87 VanDerWaalsContact O-N 3.13Å; S84-I88 WeakPolarHBondContact O-CG1 3.34Å; S84-I88 PolarHBondContact O-N 3.21Å
85S98.7Very high98.4Very high0 Ų019.3 Ų19.30%011%0.113CC..Hα-helixtrans-54.4-44.8175.234.80000113.2D76 G82 A89D76-S85 WeakPolarHBondContact OD2-CA 3.35Å; D76-S85 WeakPolarHBondContact OD2-CB 3.3Å; D76-S85 PolarHBondContact OD2-N 3.4Å; D76-S85 PolarHBondContact OD2-OG 3.32Å; G82-S85 WeakPolarHBondContact CA-OG 3.47Å; G82-S85 PolarHBondContact O-OG 3.31Å; S85-A89 WeakPolarHBondContact O-CB 3.16Å; S85-A89 PolarHBondContact O-N 2.96Å
86L98.8Very high98.4Very high0 Ų019.3 Ų19.30%011%0.113CC..Hα-helixtrans-57-53.7173.9172.664.1000111.1A36 Q37 L40 G82 S84 I88 A89 E90 A115 A119 V121A36-L86 HydrophobicContact CB-CD1 4.27Å; A36-L86 HydrophobicContact CB-CD2 4.23Å; Q37-L86 HydrophobicContact CB-CD2 4.46Å; Q37-L86 HydrophobicContact CG-CD2 3.83Å; Q37-L86 HydrophobicContact CG-CG 4.21Å; L40-L86 HydrophobicContact CB-CD2 4.37Å; L40-L86 HydrophobicContact CD2-CD2 3.81Å; G82-L86 WeakPolarHBondContact O-CB 3.24Å; G82-L86 PolarHBondContact O-N 3.21Å; S84-L86 VanDerWaalsContact C-N 3.34Å; S84-L86 PolarHBondContact O-N 2.93Å; L86-I88 VanDerWaalsContact C-N 3.3Å; L86-I88 PolarHBondContact O-N 3.2Å; L86-A89 PolarHBondContact O-N 3.38Å; L86-E90 HydrophobicContact CD1-CG 4.12Å; L86-E90 WeakPolarHBondContact O-CG 3.14Å; L86-E90 PolarHBondContact O-N 2.94Å; L86-A115 HydrophobicContact CD2-CB 4.1Å; L86-A119 HydrophobicContact CD1-CB 3.55Å; L86-V121 HydrophobicContact CD1-CG2 3.96Å
87S98.7Very high98.4Very high1 Ų124.7 Ų24.71%0.00713%0.134CC..Hα-helixtrans-65.2-34-173.2-58.60000112.6Q37 M59 S63 Y83 S84Q37-S87 PolarHBondContact NE2-OG 2.94Å; M59-S87 WeakPolarHBondContact CG-OG 3.47Å; S63-S87 PolarHBondContact OG-O 3.44Å; Y83-S87 WeakPolarHBondContact CE2-OG 3.48Å; Y83-S87 VanDerWaalsContact O-CB 3.27Å; Y83-S87 WeakPolarHBondContact O-CB 3.29Å; Y83-S87 PolarHBondContact O-N 3.44Å; Y83-S87 PolarHBondContact O-OG 2.92Å; S84-S87 PolarHBondContact O-N 3Å; S84-S87 VanDerWaalsContact O-N 3.13Å
88I98.8Very high98.4Very high0 Ų024.7 Ų24.70%013%0.134CC..Hα-helixtrans-72.8-49173.8-64167.7000109.6M59 T74 S84 L86 E90 V91 L92 V98 F150M59-I88 HydrophobicContact CE-CD1 4.14Å; M59-I88 HydrophobicContact CE-CG1 3.66Å; T74-I88 HydrophobicContact CG2-CG2 3.95Å; T74-I88 WeakPolarHBondContact OG1-CG2 3.44Å; S84-I88 WeakPolarHBondContact O-CG1 3.34Å; S84-I88 PolarHBondContact O-N 3.21Å; L86-I88 VanDerWaalsContact C-N 3.3Å; L86-I88 PolarHBondContact O-N 3.2Å; I88-E90 PolarHBondContact O-N 3.26Å; I88-V91 WeakPolarHBondContact O-CG2 3.22Å; I88-V91 PolarHBondContact O-N 3.13Å; I88-L92 HydrophobicContact CG2-CD1 4.35Å; I88-L92 HydrophobicContact CG2-CD2 4.14Å; I88-L92 HydrophobicContact CG2-CG 4.22Å; I88-L92 WeakPolarHBondContact O-CG 3.47Å; I88-L92 PolarHBondContact O-N 3.24Å; I88-V98 HydrophobicContact CB-CG2 4.31Å; I88-V98 HydrophobicContact CG2-CG2 3.97Å; I88-F150 HydrophobicContact CD1-CD1 4.03Å; I88-F150 HydrophobicContact CD1-CE1 3.57Å; I88-F150 HydrophobicContact CG1-CE1 4.47Å
89A98.8Very high98.4Very high0 Ų024.8 Ų24.80%013%0.131CC..Hα-helixtrans-60.8-31.4-176.200000113.8S85 L86 V91 L92 V98 V121 K124 I125S85-A89 WeakPolarHBondContact O-CB 3.16Å; S85-A89 PolarHBondContact O-N 2.96Å; L86-A89 PolarHBondContact O-N 3.38Å; A89-V91 VanDerWaalsContact C-N 3.28Å; A89-V91 PolarHBondContact O-N 3.46Å; A89-L92 PolarHBondContact O-N 2.84Å; A89-V98 HydrophobicContact CB-CG2 3.79Å; A89-V121 HydrophobicContact CB-CB 3.87Å; A89-V121 HydrophobicContact CB-CG1 4.43Å; A89-V121 HydrophobicContact CB-CG2 3.87Å; A89-K124 HydrophobicContact CB-CB 4.39Å; A89-K124 WeakPolarHBondContact O-CD 3.32Å; A89-K124 PolarHBondContact O-NZ 3.36Å; A89-I125 HydrophobicContact CB-CD1 3.75Å; A89-I125 HydrophobicContact CB-CG1 3.72Å
90E98.7Very high98.5Very high57 Ų5724.6 Ų24.627%0.26613%0.13SC..THydrogen-bonded Turntrans-63.8-28.8176.1-77.7-175.313400113.5S34 Q37 L86 I88 A119 V121S34-E90 WeakPolarHBondContact CB-OE1 3.5Å; S34-E90 PolarHBondContact OG-OE1 2.83Å; S34-E90 PolarHBondContact OG-OE2 3.02Å; Q37-E90 VanDerWaalsContact CG-OE2 3.31Å; Q37-E90 WeakPolarHBondContact CG-OE2 3.41Å; Q37-E90 PolarHBondContact NE2-OE2 3.05Å; L86-E90 HydrophobicContact CD1-CG 4.12Å; L86-E90 WeakPolarHBondContact O-CG 3.14Å; L86-E90 PolarHBondContact O-N 2.94Å; I88-E90 PolarHBondContact O-N 3.26Å; E90-A119 HydrophobicContact CG-CB 4.02Å; E90-A119 WeakPolarHBondContact OE1-CB 3.36Å; E90-V121 HydrophobicContact CG-CG1 4.16Å
91V98.5Very high98.5Very high43 Ų4323.5 Ų23.526%0.26113%0.125SC..THydrogen-bonded Turntrans-96.7-13.6-180-610000114.1S63 C66 Y67 I88 A89S63-V91 WeakPolarHBondContact O-CG2 3.31Å; C66-V91 HydrophobicContact CB-CG2 3.98Å; Y67-V91 HydrophobicContact CD2-CB 4.46Å; I88-V91 WeakPolarHBondContact O-CG2 3.22Å; I88-V91 PolarHBondContact O-N 3.13Å; A89-V91 VanDerWaalsContact C-N 3.28Å; A89-V91 PolarHBondContact O-N 3.46Å
92L98.8Very high98.6Very high8 Ų824.3 Ų24.34%0.04213%0.13CC..SBendtrans-70.4153.4177.7-61.9-167.5000111.5A71 T74 I88 A89 V98 K124A71-L92 HydrophobicContact CB-CD2 3.9Å; A71-L92 WeakPolarHBondContact O-CD2 3.31Å; T74-L92 HydrophobicContact CG2-CD1 4.19Å; T74-L92 HydrophobicContact CG2-CD2 3.95Å; I88-L92 HydrophobicContact CG2-CD1 4.35Å; I88-L92 HydrophobicContact CG2-CD2 4.14Å; I88-L92 HydrophobicContact CG2-CG 4.22Å; I88-L92 WeakPolarHBondContact O-CG 3.47Å; I88-L92 PolarHBondContact O-N 3.24Å; A89-L92 PolarHBondContact O-N 2.84Å; L92-V98 HydrophobicContact CD1-CG2 3.81Å; L92-K124 HydrophobicContact CB-CD 4.45Å; L92-K124 PolarHBondContact O-NZ 2.84Å
93P98.3Very high98.6Very high35 Ų3529.8 Ų29.823%0.22716%0.158CC..  trans-63.3169.7171.928.1-34.5000112A71 R72 D95 G96 K124A71-P93 WeakPolarHBondContact O-CD 3.28Å; R72-P93 HydrophobicContact CG-CG 3.85Å; P93-D95 WeakPolarHBondContact CB-OD1 3.41Å; P93-D95 PolarHBondContact O-N 3.2Å; P93-G96 PolarHBondContact O-N 3.35Å; P93-K124 VanDerWaalsContact O-CE 3.31Å; P93-K124 WeakPolarHBondContact O-CE 3.49Å; P93-K124 PolarHBondContact O-NZ 2.82Å
94P97.8Very high98.5Very high115 Ų11531.5 Ų31.575%0.74717%0.169SC*.THydrogen-bonded Turntrans-56.4-33.4-178.2-27.936.4000114.7G96P94-G96 VanDerWaalsContact C-N 3.34Å
95D98Very high98.5Very high93 Ų9335 Ų3550%0.49719%0.186SC..THydrogen-bonded Turntrans-87.9-1.1176.464.8-47.3000113.5R72 P93R72-D95 IonicContact CZ-OD2 3.87Å; R72-D95 IonicContact NH1-OD1 2.71Å; R72-D95 PolarHBondContact NH1-OD1 2.81Å; R72-D95 IonicContact NH1-OD2 2.7Å; R72-D95 PolarHBondContact NH1-OD2 2.9Å; P93-D95 WeakPolarHBondContact CB-OD1 3.41Å; P93-D95 PolarHBondContact O-N 3.2Å
96G98.7Very high98.4Very high0 Ų040.6 Ų40.60%021%0.213CC..  trans-69156.2178.600000113R72 P93 P94 K124R72-G96 CarbonylContact O-C 3.5Å; R72-G96 WeakPolarHBondContact O-CA 3.31Å; P93-G96 PolarHBondContact O-N 3.35Å; P94-G96 VanDerWaalsContact C-N 3.34Å; G96-K124 WeakPolarHBondContact O-CB 3.4Å; G96-K124 WeakPolarHBondContact O-CG 3.48Å
97R98.8Very high98.4Very high113 Ų11341.5 Ų41.543%0.42622%0.217SC..EExtended strand (participates in β ladder)trans-138.7137.2-175.7-65.1-64.9-179.3-96.54.9112R72 K73 T74 K124R72-R97 PolarHBondContact O-N 2.8Å; K73-R97 WeakPolarHBondContact CA-O 3.47Å; T74-R97 PolarHBondContact N-O 2.83Å; T74-R97 PolarHBondContact OG1-O 2.82Å; R97-K124 CarbonylContact C-O 3.35Å; R97-K124 WeakPolarHBondContact CA-O 3.44Å
98V98.9Very high98.3Very high0 Ų043.2 Ų43.20%023%0.225CC..EExtended strand (participates in β ladder)trans-110119.4166-173.80000107.4T74 D76 I88 A89 L92 K124 I125 D126T74-V98 WeakPolarHBondContact O-CA 3.29Å; T74-V98 WeakPolarHBondContact OG1-CG2 3.35Å; D76-V98 HydrophobicContact CB-CG1 3.88Å; I88-V98 HydrophobicContact CB-CG2 4.31Å; I88-V98 HydrophobicContact CG2-CG2 3.97Å; A89-V98 HydrophobicContact CB-CG2 3.79Å; L92-V98 HydrophobicContact CD1-CG2 3.81Å; V98-K124 PolarHBondContact N-O 3.04Å; V98-I125 HydrophobicContact CB-CG1 4.23Å; V98-I125 HydrophobicContact CG2-CG1 4.42Å; V98-I125 WeakPolarHBondContact O-CA 3.33Å; V98-D126 PolarHBondContact O-N 2.86Å
99L98.9Very high98.3Very high14 Ų1451 Ų517%0.07326%0.259CS..EExtended strand (participates in β ladder)trans-88.2107.8165.7176.159.9000108T74 L75 D76 L101 D126 R128 L139 F148T74-L99 PolarHBondContact O-N 2.67Å; L75-L99 WeakPolarHBondContact CA-O 3.23Å; L75-L99 HydrophobicContact CD2-CB 4.01Å; L75-L99 HydrophobicContact CD2-CD2 3.74Å; L75-L99 HydrophobicContact CD2-CG 4.03Å; D76-L99 PolarHBondContact N-O 3.27Å; L99-L101 HydrophobicContact CD1-CD2 3.9Å; L99-L101 HydrophobicContact CD2-CD2 4.36Å; L99-L101 HydrophobicContact CG-CD2 3.82Å; L99-L101 HydrophobicContact CG-CG 4.41Å; L99-D126 WeakPolarHBondContact CA-O 3.46Å; L99-D126 HydrophobicContact CD1-CB 4.26Å; L99-D126 WeakPolarHBondContact CD1-O 3.26Å; L99-R128 HydrophobicContact CD1-CG 3.56Å; L99-L139 HydrophobicContact CD2-CD1 3.61Å; L99-L139 HydrophobicContact CD2-CD2 4.25Å; L99-L139 HydrophobicContact CD2-CG 4.46Å; L99-F148 HydrophobicContact CB-CE1 4.29Å; L99-F148 HydrophobicContact CD2-CE1 4.48Å; L99-F148 HydrophobicContact CD2-CZ 4.13Å
100A98.9Very high98.2Very high0 Ų056 Ų560%029%0.286CS..EExtended strand (participates in β ladder)trans-102.4119.5-173.200000109.8D76 V79 I125 D126 F127 R128D76-A100 HydrophobicContact CB-CB 4.46Å; V79-A100 HydrophobicContact CG2-CB 3.67Å; A100-I125 HydrophobicContact CB-CG2 3.83Å; A100-D126 PolarHBondContact N-O 2.85Å; A100-F127 HydrophobicContact CB-CD2 4.24Å; A100-F127 CarbonylContact O-C 3.52Å; A100-F127 VanDerWaalsContact O-CA 3.31Å; A100-F127 WeakPolarHBondContact O-CA 3.33Å; A100-R128 PolarHBondContact O-N 3.38Å
101L98.9Very high98.2Very high1 Ų155.2 Ų55.21%0.00528%0.281CS..EExtended strand (participates in β ladder)trans-117.6123.4-171.8-52.5-175.7000110.2D76 V77 G78 L99 R128 A132 T135 L136D76-L101 PolarHBondContact O-N 2.97Å; V77-L101 HydrophobicContact CG2-CD1 4.32Å; G78-L101 PolarHBondContact N-O 3.45Å; L99-L101 HydrophobicContact CD1-CD2 3.9Å; L99-L101 HydrophobicContact CD2-CD2 4.36Å; L99-L101 HydrophobicContact CG-CD2 3.82Å; L99-L101 HydrophobicContact CG-CG 4.41Å; L101-R128 HydrophobicContact CD2-CB 3.7Å; L101-R128 HydrophobicContact CD2-CG 3.97Å; L101-A132 HydrophobicContact CB-CB 4.14Å; L101-A132 HydrophobicContact CD1-CB 4.12Å; L101-T135 HydrophobicContact CD1-CG2 4.12Å; L101-T135 HydrophobicContact CD2-CG2 3.64Å; L101-L136 HydrophobicContact CD1-CD2 3.91Å; L101-L136 HydrophobicContact CD1-CG 4.02Å
102D98.5Very high98.2Very high18 Ų1853.2 Ų53.210%0.09627%0.268CS..EExtended strand (participates in β ladder)trans-140.6149.5174-151.4-62.9000111.4V79 Y80 T104 F127 R128 H129 G130V79-D102 WeakPolarHBondContact CA-OD2 3.48Å; V79-D102 HydrophobicContact CB-CB 3.96Å; V79-D102 WeakPolarHBondContact CB-OD2 3.43Å; V79-D102 HydrophobicContact CG2-CB 4.06Å; V79-D102 PolarHBondContact N-OD2 3.22Å; Y80-D102 PolarHBondContact N-OD2 2.97Å; D102-T104 PolarHBondContact O-N 3.35Å; D102-T104 WeakPolarHBondContact OD1-CG2 3.45Å; D102-T104 PolarHBondContact OD1-N 3Å; D102-F127 HydrophobicContact CB-CE2 3.7Å; D102-F127 HydrophobicContact CB-CZ 3.84Å; D102-R128 PolarHBondContact N-O 3.03Å; D102-H129 WeakPolarHBondContact O-CA 3.4Å; D102-G130 PolarHBondContact O-N 2.86Å
103I98Very high98.2Very high115 Ų11555 Ų5559%0.5928%0.278SS*.SBendtrans-74-16.6177.1-163.758.8000112H129 P131I103-H129 PolarHBondContact O-CD2 3.22Å; I103-H129 VanDerWaalsContact O-CD2 3.25Å; I103-H129 PolarHBondContact O-NE2 2.93Å; I103-P131 HydrophobicContact CD1-CB 4.44Å; I103-P131 HydrophobicContact CD1-CG 4.07Å
104T97.1Very high98.2Very high39 Ų3955.5 Ų55.524%0.23928%0.281CS..  trans-133.2145.3178.2-177.50000111.8D102 E106 Y107D102-T104 PolarHBondContact O-N 3.35Å; D102-T104 WeakPolarHBondContact OD1-CG2 3.45Å; D102-T104 PolarHBondContact OD1-N 3Å; T104-E106 WeakPolarHBondContact OG1-CB 3.43Å; T104-E106 PolarHBondContact OG1-N 3.03Å; T104-Y107 HydrophobicContact CG2-CD2 4.2Å; T104-Y107 HydrophobicContact CG2-CE2 3.74Å
105D97.5Very high98.2Very high82 Ų8250 Ų5044%0.43925%0.246SC..  trans-99.85.8171.460.811.9000113.4Y107 L108 F127 H129D105-Y107 PolarHBondContact O-N 2.97Å; D105-Y107 VanDerWaalsContact O-N 3.08Å; D105-L108 HydrophobicContact CB-CB 4.4Å; D105-L108 HydrophobicContact CB-CD2 4.49Å; D105-L108 WeakPolarHBondContact O-CB 3.2Å; D105-L108 PolarHBondContact O-N 3.27Å; D105-F127 HydrophobicContact CB-CE1 4.02Å; D105-F127 HydrophobicContact CB-CZ 4.4Å; D105-H129 HydrophobicContact CB-CB 4.41Å; D105-H129 IonicContact OD1-CE1 3.01Å; D105-H129 IonicContact OD1-ND1 3.77Å; D105-H129 IonicContact OD2-CE1 3.63Å; D105-H129 IonicContact OD2-ND1 3.86Å; D105-H129 PolarHBondContact OD2-ND1 3.18Å
106E97.7Very high98.3Very high119 Ų11945.8 Ų45.856%0.55622%0.223SC*.THydrogen-bonded Turntrans-50.5-39-176.6-177.2-177.7-16800112.8T104T104-E106 WeakPolarHBondContact OG1-CB 3.43Å; T104-E106 PolarHBondContact OG1-N 3.03Å
107Y97.5Very high98.3Very high19 Ų1951.3 Ų51.38%0.07525%0.247CC..THydrogen-bonded Turntrans-91.3-9.7-175.5-45.7-56.5000113.7H47 M49 Y80 T81 T104 D105 K109 Y111 C112H47-Y107 AromaticContact NE2-CE1 3.78Å; M49-Y107 WeakPolarHBondContact CE-OH 3.33Å; Y80-Y107 AromaticContact CD2-CD2 3.59Å; Y80-Y107 HydrophobicContact CD2-CD2 3.59Å; Y80-Y107 AromaticContact CD2-CE2 3.53Å; Y80-Y107 HydrophobicContact CD2-CE2 3.53Å; Y80-Y107 HydrophobicContact CD2-CG 4.19Å; Y80-Y107 HydrophobicContact CE2-CD1 4.35Å; Y80-Y107 HydrophobicContact CE2-CD2 4.03Å; Y80-Y107 HydrophobicContact CE2-CE1 4.16Å; Y80-Y107 AromaticContact CE2-CE2 3.79Å; Y80-Y107 HydrophobicContact CE2-CE2 3.79Å; Y80-Y107 HydrophobicContact CE2-CG 4.31Å; Y80-Y107 AromaticContact CE2-CZ 3.89Å; Y80-Y107 WeakPolarHBondContact O-CB 3.48Å; T81-Y107 HydrophobicContact CG2-CG 4.37Å; T104-Y107 HydrophobicContact CG2-CD2 4.2Å; T104-Y107 HydrophobicContact CG2-CE2 3.74Å; D105-Y107 PolarHBondContact O-N 2.97Å; D105-Y107 VanDerWaalsContact O-N 3.08Å; Y107-K109 PolarHBondContact O-N 3.32Å; Y107-Y111 HydrophobicContact CD1-CD2 4.37Å; Y107-Y111 HydrophobicContact CD1-CE2 4.36Å; Y107-Y111 WeakPolarHBondContact O-CB 3.49Å; Y107-Y111 PolarHBondContact O-N 3.05Å; Y107-C112 PolarHBondContact O-N 3.29Å
108L97.9Very high98.3Very high37 Ų3750.7 Ų50.719%0.19425%0.25CC..Iπ-helixtrans-60.9-47.6-169.8-177.165.1000111.5D105 C112 L113 W116 F127D105-L108 HydrophobicContact CB-CB 4.4Å; D105-L108 HydrophobicContact CB-CD2 4.49Å; D105-L108 WeakPolarHBondContact O-CB 3.2Å; D105-L108 PolarHBondContact O-N 3.27Å; L108-C112 HydrophobicContact CD1-CB 3.93Å; L108-C112 WeakPolarHBondContact O-CB 3.42Å; L108-C112 PolarHBondContact O-N 2.59Å; L108-L113 HydrophobicContact CD1-CD2 4.39Å; L108-L113 HydrophobicContact CD1-CG 4.15Å; L108-L113 HydrophobicContact CG-CD1 4.21Å; L108-L113 HydrophobicContact CG-CG 4.12Å; L108-L113 WeakPolarHBondContact O-CB 3.48Å; L108-L113 WeakPolarHBondContact O-CG 3.19Å; L108-L113 PolarHBondContact O-N 2.97Å; L108-W116 HydrophobicContact CD1-CH2 3.73Å; L108-W116 HydrophobicContact CD1-CZ3 3.68Å; L108-F127 HydrophobicContact CD1-CB 4.18Å; L108-F127 HydrophobicContact CD1-CD1 3.97Å; L108-F127 HydrophobicContact CD1-CD2 4.07Å; L108-F127 HydrophobicContact CD1-CE1 4.37Å; L108-F127 HydrophobicContact CD1-CE2 4.46Å; L108-F127 HydrophobicContact CD1-CG 3.8Å; L108-F127 HydrophobicContact CD2-CD1 3.72Å; L108-F127 HydrophobicContact CD2-CE1 3.93Å; L108-F127 HydrophobicContact CD2-CG 4.37Å; L108-F127 HydrophobicContact CG-CD1 4.43Å
109K98Very high98.3Very high162 Ų16252.2 Ų52.270%0.70426%0.262SS*.Iπ-helixtrans-73-41-174.5-174.8-177.5174.1-172.10113Y107 P114Y107-K109 PolarHBondContact O-N 3.32Å; K109-P114 VanDerWaalsContact O-CD 3.24Å; K109-P114 WeakPolarHBondContact O-CD 3.35Å; K109-P114 WeakPolarHBondContact O-CG 3.25Å
110D97.2Very high98.2Very high105 Ų10554.3 Ų54.356%0.56129%0.288SS*.Iπ-helixtrans-94.4-24.6-167.2-64.5-23.2000112.9
111Y98.2Very high98.2Very high42 Ų4254.6 Ų54.617%0.16529%0.289CS..Iπ-helixtrans-118.6-57.7-179.2-60.2-88.7000112.5L40 E43 T81 Y107 P114 A115L40-Y111 HydrophobicContact CD1-CD1 4.4Å; E43-Y111 HydrophobicContact CB-CD1 4.06Å; E43-Y111 HydrophobicContact CB-CE1 4.03Å; T81-Y111 HydrophobicContact CG2-CD1 4.01Å; T81-Y111 HydrophobicContact CG2-CD2 4.04Å; T81-Y111 HydrophobicContact CG2-CE1 4.5Å; T81-Y111 HydrophobicContact CG2-CG 3.76Å; Y107-Y111 HydrophobicContact CD1-CD2 4.37Å; Y107-Y111 HydrophobicContact CD1-CE2 4.36Å; Y107-Y111 WeakPolarHBondContact O-CB 3.49Å; Y107-Y111 PolarHBondContact O-N 3.05Å; Y111-P114 WeakPolarHBondContact O-CD 3.3Å; Y111-A115 WeakPolarHBondContact O-CB 3.5Å; Y111-A115 PolarHBondContact O-N 3.26Å
112C98.6Very high98.2Very high0 Ų058.1 Ų58.10%031%0.306CS..Iπ-helixtrans-64.4-61.5-169.5-57.50000112.3T81 Y107 L108 A115 W116T81-C112 PolarHBondContact O-SG 3.25Å; Y107-C112 PolarHBondContact O-N 3.29Å; L108-C112 HydrophobicContact CD1-CB 3.93Å; L108-C112 WeakPolarHBondContact O-CB 3.42Å; L108-C112 PolarHBondContact O-N 2.59Å; C112-A115 PolarHBondContact O-N 2.87Å; C112-A115 VanDerWaalsContact O-N 3.15Å; C112-W116 HydrophobicContact CB-CD2 4.15Å; C112-W116 HydrophobicContact CB-CE3 4.31Å; C112-W116 HydrophobicContact CB-CH2 3.68Å; C112-W116 HydrophobicContact CB-CZ2 3.51Å; C112-W116 HydrophobicContact CB-CZ3 4.09Å; C112-W116 WeakPolarHBondContact O-CB 3.4Å; C112-W116 PolarHBondContact O-N 2.83Å
113L98.7Very high98.2Very high47 Ų4761.7 Ų61.725%0.24633%0.332CS..Hα-helixtrans-59.1-44.2-176.2-67.4173.8000112.8L108 A115 W116 K117 E122L108-L113 HydrophobicContact CD1-CD2 4.39Å; L108-L113 HydrophobicContact CD1-CG 4.15Å; L108-L113 HydrophobicContact CG-CD1 4.21Å; L108-L113 HydrophobicContact CG-CG 4.12Å; L108-L113 WeakPolarHBondContact O-CB 3.48Å; L108-L113 WeakPolarHBondContact O-CG 3.19Å; L108-L113 PolarHBondContact O-N 2.97Å; L113-A115 PolarHBondContact O-N 3.14Å; L113-W116 HydrophobicContact CD2-CE3 3.9Å; L113-W116 HydrophobicContact CD2-CZ3 4.06Å; L113-W116 PolarHBondContact O-N 3.32Å; L113-K117 VanDerWaalsContact O-CB 3.27Å; L113-K117 WeakPolarHBondContact O-CB 3.27Å; L113-K117 VanDerWaalsContact O-CG 3.22Å; L113-K117 WeakPolarHBondContact O-CG 3.41Å; L113-K117 PolarHBondContact O-N 3.37Å; L113-E122 HydrophobicContact CD2-CG 4.38Å
114P98.6Very high98.2Very high45 Ų4557.3 Ų57.329%0.29231%0.309SS..Hα-helixtrans-58.7-43.4174.6-27.436.8000113.4W39 K109 Y111 M118W39-P114 HydrophobicContact CH2-CB 3.49Å; W39-P114 VanDerWaalsContact CH2-CB 3.49Å; W39-P114 HydrophobicContact CH2-CG 4.26Å; W39-P114 HydrophobicContact CZ2-CB 4.26Å; W39-P114 HydrophobicContact CZ3-CB 3.86Å; K109-P114 VanDerWaalsContact O-CD 3.24Å; K109-P114 WeakPolarHBondContact O-CD 3.35Å; K109-P114 WeakPolarHBondContact O-CG 3.25Å; Y111-P114 WeakPolarHBondContact O-CD 3.3Å; P114-M118 WeakPolarHBondContact O-CB 3.31Å; P114-M118 PolarHBondContact O-N 3.41Å
115A98.7Very high98.3Very high0 Ų056.3 Ų56.30%030%0.302CS..Hα-helixtrans-67.1-46.317900000111.8W39 L40 L86 Y111 C112 L113 K117 M118 A119W39-A115 HydrophobicContact CE3-CB 4.03Å; W39-A115 HydrophobicContact CZ3-CB 3.89Å; L40-A115 HydrophobicContact CB-CB 3.91Å; L40-A115 HydrophobicContact CD1-CB 4.11Å; L40-A115 HydrophobicContact CD2-CB 3.88Å; L40-A115 HydrophobicContact CG-CB 4.18Å; L86-A115 HydrophobicContact CD2-CB 4.1Å; Y111-A115 WeakPolarHBondContact O-CB 3.5Å; Y111-A115 PolarHBondContact O-N 3.26Å; C112-A115 PolarHBondContact O-N 2.87Å; C112-A115 VanDerWaalsContact O-N 3.15Å; L113-A115 PolarHBondContact O-N 3.14Å; A115-K117 VanDerWaalsContact C-N 3.33Å; A115-K117 PolarHBondContact O-N 2.93Å; A115-M118 WeakPolarHBondContact O-CB 3.35Å; A115-M118 PolarHBondContact O-N 3.49Å; A115-A119 PolarHBondContact O-N 3.14Å
116W98.8Very high98.4Very high4 Ų455.5 Ų55.52%0.01530%0.297CS..Hα-helixtrans-63.9-38179.7-56.6-18.8000112V79 G82 L108 C112 L113 A119 G120 V121 E122 I125 F127V79-W116 HydrophobicContact CG1-CZ2 4.2Å; G82-W116 PolarHBondContact O-NE1 2.99Å; L108-W116 HydrophobicContact CD1-CH2 3.73Å; L108-W116 HydrophobicContact CD1-CZ3 3.68Å; C112-W116 HydrophobicContact CB-CD2 4.15Å; C112-W116 HydrophobicContact CB-CE3 4.31Å; C112-W116 HydrophobicContact CB-CH2 3.68Å; C112-W116 HydrophobicContact CB-CZ2 3.51Å; C112-W116 HydrophobicContact CB-CZ3 4.09Å; C112-W116 WeakPolarHBondContact O-CB 3.4Å; C112-W116 PolarHBondContact O-N 2.83Å; L113-W116 HydrophobicContact CD2-CE3 3.9Å; L113-W116 HydrophobicContact CD2-CZ3 4.06Å; L113-W116 PolarHBondContact O-N 3.32Å; W116-A119 PolarHBondContact O-N 2.97Å; W116-G120 PolarHBondContact O-N 2.93Å; W116-G120 VanDerWaalsContact O-N 3.11Å; W116-V121 HydrophobicContact CB-CG2 4.35Å; W116-V121 PolarHBondContact O-N 3.39Å; W116-E122 HydrophobicContact CB-CB 4.13Å; W116-E122 PolarHBondContact O-N 3.43Å; W116-I125 HydrophobicContact CB-CD1 4.12Å; W116-I125 VanDerWaalsContact CD1-CD1 3.47Å; W116-I125 HydrophobicContact CD2-CB 4.37Å; W116-I125 HydrophobicContact CD2-CD1 3.53Å; W116-I125 HydrophobicContact CD2-CG2 4.26Å; W116-I125 HydrophobicContact CE3-CB 4.19Å; W116-I125 HydrophobicContact CE3-CD1 4.2Å; W116-I125 HydrophobicContact CE3-CG2 4.06Å; W116-I125 HydrophobicContact CG-CD1 3.46Å; W116-I125 VanDerWaalsContact CG-CD1 3.46Å; W116-I125 HydrophobicContact CH2-CG2 3.65Å; W116-I125 HydrophobicContact CZ2-CD1 4.34Å; W116-I125 HydrophobicContact CZ2-CG2 3.83Å; W116-I125 HydrophobicContact CZ3-CB 4.34Å; W116-I125 HydrophobicContact CZ3-CG2 3.76Å; W116-F127 HydrophobicContact CH2-CB 4.15Å; W116-F127 HydrophobicContact CH2-CD2 4.16Å; W116-F127 HydrophobicContact CH2-CG 4.47Å; W116-F127 HydrophobicContact CZ3-CB 4.32Å
117K98.7Very high98.4Very high116 Ų11651.7 Ų51.750%0.50428%0.279SS..Hα-helixtrans-64.3-45.3171.7-77.3172.5-174.81780112L113 A115 A119 G120 E122L113-K117 VanDerWaalsContact O-CB 3.27Å; L113-K117 WeakPolarHBondContact O-CB 3.27Å; L113-K117 VanDerWaalsContact O-CG 3.22Å; L113-K117 WeakPolarHBondContact O-CG 3.41Å; L113-K117 PolarHBondContact O-N 3.37Å; A115-K117 VanDerWaalsContact C-N 3.33Å; A115-K117 PolarHBondContact O-N 2.93Å; K117-A119 PolarHBondContact O-N 3.38Å; K117-G120 PolarHBondContact O-N 3.43Å; K117-E122 WeakPolarHBondContact CE-OE1 3.1Å; K117-E122 WeakPolarHBondContact CE-OE2 3.43Å; K117-E122 HydrophobicContact CG-CB 4.29Å; K117-E122 HydrophobicContact CG-CG 4.45Å; K117-E122 WeakPolarHBondContact CG-OE2 3.46Å; K117-E122 IonicContact NZ-OE1 3.61Å
118M98.6Very high98.5Very high100 Ų10055.9 Ų55.949%0.49330%0.295SS..Hα-helixtrans-59.8-37179.1-174.8179.9-63.300112.1A36 W39 P114 A115 G120A36-M118 HydrophobicContact CB-CB 4.05Å; A36-M118 HydrophobicContact CB-CG 4.05Å; A36-M118 HydrophobicContact CB-SD 4.21Å; W39-M118 HydrophobicContact CB-CE 4.15Å; W39-M118 HydrophobicContact CB-SD 3.94Å; W39-M118 HydrophobicContact CD2-CE 3.92Å; W39-M118 HydrophobicContact CE3-CE 4.5Å; W39-M118 HydrophobicContact CG-CE 3.72Å; W39-M118 HydrophobicContact CG-SD 4.18Å; P114-M118 WeakPolarHBondContact O-CB 3.31Å; P114-M118 PolarHBondContact O-N 3.41Å; A115-M118 WeakPolarHBondContact O-CB 3.35Å; A115-M118 PolarHBondContact O-N 3.49Å; M118-G120 VanDerWaalsContact C-N 3.34Å
119A98.6Very high98.5Very high31 Ų3159.1 Ų59.126%0.25631%0.308SS..THydrogen-bonded Turntrans-80.8-10.5174.800000114.1A36 L86 E90 A115 W116 K117 V121A36-A119 HydrophobicContact CB-CB 3.67Å; L86-A119 HydrophobicContact CD1-CB 3.55Å; E90-A119 HydrophobicContact CG-CB 4.02Å; E90-A119 WeakPolarHBondContact OE1-CB 3.36Å; A115-A119 PolarHBondContact O-N 3.14Å; W116-A119 PolarHBondContact O-N 2.97Å; K117-A119 PolarHBondContact O-N 3.38Å; A119-V121 VanDerWaalsContact C-N 3.29Å; A119-V121 HydrophobicContact CB-CG1 4.23Å; A119-V121 HydrophobicContact CB-CG2 3.84Å; A119-V121 PolarHBondContact O-N 2.92Å
120G98.6Very high98.5Very high59 Ų5952 Ų5261%0.60828%0.282SS*.THydrogen-bonded Turntrans6925.8-17500000113.7W116 K117 M118W116-G120 PolarHBondContact O-N 2.93Å; W116-G120 VanDerWaalsContact O-N 3.11Å; K117-G120 PolarHBondContact O-N 3.43Å; M118-G120 VanDerWaalsContact C-N 3.34Å
121V98.8Very high98.5Very high6 Ų649.8 Ų49.84%0.03627%0.273CS..  trans-114.61.7-176-58.70000114L86 A89 E90 W116 A119 S123 K124 I125L86-V121 HydrophobicContact CD1-CG2 3.96Å; A89-V121 HydrophobicContact CB-CB 3.87Å; A89-V121 HydrophobicContact CB-CG1 4.43Å; A89-V121 HydrophobicContact CB-CG2 3.87Å; E90-V121 HydrophobicContact CG-CG1 4.16Å; W116-V121 HydrophobicContact CB-CG2 4.35Å; W116-V121 PolarHBondContact O-N 3.39Å; A119-V121 VanDerWaalsContact C-N 3.29Å; A119-V121 HydrophobicContact CB-CG1 4.23Å; A119-V121 HydrophobicContact CB-CG2 3.84Å; A119-V121 PolarHBondContact O-N 2.92Å; V121-S123 PolarHBondContact O-N 3.39Å; V121-S123 VanDerWaalsContact O-N 3.14Å; V121-K124 HydrophobicContact CB-CD 4.45Å; V121-K124 WeakPolarHBondContact O-CA 3.36Å; V121-K124 WeakPolarHBondContact O-CB 3.47Å; V121-K124 PolarHBondContact O-N 2.85Å; V121-I125 HydrophobicContact CG2-CD1 4.09Å
122E98.5Very high98.5Very high74 Ų7448.2 Ų48.235%0.34627%0.268SS..G310 helixtrans-48.3-43.4178.5-177.8-175.5-157.900112.4L113 W116 K117 K124 I125L113-E122 HydrophobicContact CD2-CG 4.38Å; W116-E122 HydrophobicContact CB-CB 4.13Å; W116-E122 PolarHBondContact O-N 3.43Å; K117-E122 WeakPolarHBondContact CE-OE1 3.1Å; K117-E122 WeakPolarHBondContact CE-OE2 3.43Å; K117-E122 HydrophobicContact CG-CB 4.29Å; K117-E122 HydrophobicContact CG-CG 4.45Å; K117-E122 WeakPolarHBondContact CG-OE2 3.46Å; K117-E122 IonicContact NZ-OE1 3.61Å; E122-K124 PolarHBondContact O-N 2.96Å; E122-K124 VanDerWaalsContact O-N 3.14Å; E122-I125 PolarHBondContact O-N 3.28Å
123S98.3Very high98.5Very high93 Ų9350.4 Ų50.465%0.6528%0.282SS*.G310 helixtrans-67.4-12.7-18061.10000114.8V121V121-S123 PolarHBondContact O-N 3.39Å; V121-S123 VanDerWaalsContact O-N 3.14Å
124K98.8Very high98.5Very high24 Ų2453.8 Ų53.810%0.10430%0.296CS..G310 helixtrans-88.8-17.2173.8-57.8-174.1-170.4173.30112.3A89 L92 P93 G96 R97 V98 V121 E122A89-K124 HydrophobicContact CB-CB 4.39Å; A89-K124 WeakPolarHBondContact O-CD 3.32Å; A89-K124 PolarHBondContact O-NZ 3.36Å; L92-K124 HydrophobicContact CB-CD 4.45Å; L92-K124 PolarHBondContact O-NZ 2.84Å; P93-K124 VanDerWaalsContact O-CE 3.31Å; P93-K124 WeakPolarHBondContact O-CE 3.49Å; P93-K124 PolarHBondContact O-NZ 2.82Å; G96-K124 WeakPolarHBondContact O-CB 3.4Å; G96-K124 WeakPolarHBondContact O-CG 3.48Å; R97-K124 CarbonylContact C-O 3.35Å; R97-K124 WeakPolarHBondContact CA-O 3.44Å; V98-K124 PolarHBondContact N-O 3.04Å; V121-K124 HydrophobicContact CB-CD 4.45Å; V121-K124 WeakPolarHBondContact O-CA 3.36Å; V121-K124 WeakPolarHBondContact O-CB 3.47Å; V121-K124 PolarHBondContact O-N 2.85Å; E122-K124 PolarHBondContact O-N 2.96Å; E122-K124 VanDerWaalsContact O-N 3.14Å
125I98.9Very high98.5Very high17 Ų1752.9 Ų52.99%0.08729%0.29CS..EExtended strand (participates in β ladder)trans-105.5114.7-170.8-57.2170.5000109.1A89 V98 A100 W116 V121 E122A89-I125 HydrophobicContact CB-CD1 3.75Å; A89-I125 HydrophobicContact CB-CG1 3.72Å; V98-I125 HydrophobicContact CB-CG1 4.23Å; V98-I125 HydrophobicContact CG2-CG1 4.42Å; V98-I125 WeakPolarHBondContact O-CA 3.33Å; A100-I125 HydrophobicContact CB-CG2 3.83Å; W116-I125 HydrophobicContact CB-CD1 4.12Å; W116-I125 VanDerWaalsContact CD1-CD1 3.47Å; W116-I125 HydrophobicContact CD2-CB 4.37Å; W116-I125 HydrophobicContact CD2-CD1 3.53Å; W116-I125 HydrophobicContact CD2-CG2 4.26Å; W116-I125 HydrophobicContact CE3-CB 4.19Å; W116-I125 HydrophobicContact CE3-CD1 4.2Å; W116-I125 HydrophobicContact CE3-CG2 4.06Å; W116-I125 HydrophobicContact CG-CD1 3.46Å; W116-I125 VanDerWaalsContact CG-CD1 3.46Å; W116-I125 HydrophobicContact CH2-CG2 3.65Å; W116-I125 HydrophobicContact CZ2-CD1 4.34Å; W116-I125 HydrophobicContact CZ2-CG2 3.83Å; W116-I125 HydrophobicContact CZ3-CB 4.34Å; W116-I125 HydrophobicContact CZ3-CG2 3.76Å; V121-I125 HydrophobicContact CG2-CD1 4.09Å; E122-I125 PolarHBondContact O-N 3.28Å
126D98.7Very high98.5Very high65 Ų6552.9 Ų52.935%0.34829%0.29SS..EExtended strand (participates in β ladder)trans-98.9101.3173.1-179.82.1000108V98 L99 A100 R128V98-D126 PolarHBondContact O-N 2.86Å; L99-D126 WeakPolarHBondContact CA-O 3.46Å; L99-D126 HydrophobicContact CD1-CB 4.26Å; L99-D126 WeakPolarHBondContact CD1-O 3.26Å; A100-D126 PolarHBondContact N-O 2.85Å; D126-R128 IonicContact OD1-CZ 2.64Å; D126-R128 IonicContact OD1-NE 2.67Å; D126-R128 PolarHBondContact OD1-NE 3.22Å; D126-R128 IonicContact OD1-NH2 3.36Å; D126-R128 IonicContact OD2-CZ 2.71Å; D126-R128 IonicContact OD2-NE 3.71Å; D126-R128 PolarHBondContact OD2-NE 3.07Å; D126-R128 IonicContact OD2-NH2 2.71Å; D126-R128 PolarHBondContact OD2-NH2 2.92Å
127F98.8Very high98.5Very high39 Ų3955.9 Ų55.917%0.17130%0.304CS..EExtended strand (participates in β ladder)trans-87.1130.8179-179.6-92.3000111.2V79 A100 D102 D105 L108 W116 H129V79-F127 HydrophobicContact CB-CE2 4.15Å; V79-F127 HydrophobicContact CG1-CD2 4.36Å; V79-F127 HydrophobicContact CG1-CE2 4.19Å; V79-F127 HydrophobicContact CG2-CD2 4.18Å; V79-F127 HydrophobicContact CG2-CE2 4.02Å; A100-F127 HydrophobicContact CB-CD2 4.24Å; A100-F127 CarbonylContact O-C 3.52Å; A100-F127 VanDerWaalsContact O-CA 3.31Å; A100-F127 WeakPolarHBondContact O-CA 3.33Å; D102-F127 HydrophobicContact CB-CE2 3.7Å; D102-F127 HydrophobicContact CB-CZ 3.84Å; D105-F127 HydrophobicContact CB-CE1 4.02Å; D105-F127 HydrophobicContact CB-CZ 4.4Å; L108-F127 HydrophobicContact CD1-CB 4.18Å; L108-F127 HydrophobicContact CD1-CD1 3.97Å; L108-F127 HydrophobicContact CD1-CD2 4.07Å; L108-F127 HydrophobicContact CD1-CE1 4.37Å; L108-F127 HydrophobicContact CD1-CE2 4.46Å; L108-F127 HydrophobicContact CD1-CG 3.8Å; L108-F127 HydrophobicContact CD2-CD1 3.72Å; L108-F127 HydrophobicContact CD2-CE1 3.93Å; L108-F127 HydrophobicContact CD2-CG 4.37Å; L108-F127 HydrophobicContact CG-CD1 4.43Å; W116-F127 HydrophobicContact CH2-CB 4.15Å; W116-F127 HydrophobicContact CH2-CD2 4.16Å; W116-F127 HydrophobicContact CH2-CG 4.47Å; W116-F127 HydrophobicContact CZ3-CB 4.32Å; F127-H129 HydrophobicContact CE1-CB 3.98Å
128R98.5Very high98.5Very high107 Ų10754.6 Ų54.640%0.40430%0.303SS..EExtended strand (participates in β ladder)trans-122.6120.5174-53-70.3176.782.2-0.5109.7L99 A100 L101 D102 D126L99-R128 HydrophobicContact CD1-CG 3.56Å; A100-R128 PolarHBondContact O-N 3.38Å; L101-R128 HydrophobicContact CD2-CB 3.7Å; L101-R128 HydrophobicContact CD2-CG 3.97Å; D102-R128 PolarHBondContact N-O 3.03Å; D126-R128 IonicContact OD1-CZ 2.64Å; D126-R128 IonicContact OD1-NE 2.67Å; D126-R128 PolarHBondContact OD1-NE 3.22Å; D126-R128 IonicContact OD1-NH2 3.36Å; D126-R128 IonicContact OD2-CZ 2.71Å; D126-R128 IonicContact OD2-NE 3.71Å; D126-R128 PolarHBondContact OD2-NE 3.07Å; D126-R128 IonicContact OD2-NH2 2.71Å; D126-R128 PolarHBondContact OD2-NH2 2.92Å
129H98.3Very high98.5Very high105 Ų10550.9 Ų50.949%0.48629%0.285SS..EExtended strand (participates in β ladder)trans-82.6125.8171.3179.4-172.8000109.6D102 I103 D105 F127D102-H129 WeakPolarHBondContact O-CA 3.4Å; I103-H129 PolarHBondContact O-CD2 3.22Å; I103-H129 VanDerWaalsContact O-CD2 3.25Å; I103-H129 PolarHBondContact O-NE2 2.93Å; D105-H129 HydrophobicContact CB-CB 4.41Å; D105-H129 IonicContact OD1-CE1 3.01Å; D105-H129 IonicContact OD1-ND1 3.77Å; D105-H129 IonicContact OD2-CE1 3.63Å; D105-H129 IonicContact OD2-ND1 3.86Å; D105-H129 PolarHBondContact OD2-ND1 3.18Å; F127-H129 HydrophobicContact CE1-CB 3.98Å
130G97.6Very high98.5Very high14 Ų1450.5 Ų50.514%0.14428%0.278CS..SBendtrans146.8-175.5169.300000112.9D102 A132D102-G130 PolarHBondContact O-N 2.86Å; G130-A132 PolarHBondContact O-N 3.41Å
131P97.7Very high98.5Very high57 Ų5752.8 Ų52.837%0.3728%0.276SS..  trans-59.3120.4175.7-22.834.4000111.5I103 V133 E134 T135I103-P131 HydrophobicContact CD1-CB 4.44Å; I103-P131 HydrophobicContact CD1-CG 4.07Å; P131-V133 VanDerWaalsContact C-N 3.28Å; P131-V133 PolarHBondContact O-N 3.42Å; P131-E134 HydrophobicContact CB-CB 4.46Å; P131-E134 HydrophobicContact CB-CG 4.07Å; P131-E134 PolarHBondContact O-N 2.92Å; P131-T135 PolarHBondContact O-N 3.41Å
132A98.4Very high98.5Very high9 Ų958.9 Ų58.97%0.07431%0.309CS..Hα-helixtrans-62.3-36.6-177.700000112.1V77 L101 G130 E134 T135 L136 Y163V77-A132 HydrophobicContact CG1-CB 3.66Å; L101-A132 HydrophobicContact CB-CB 4.14Å; L101-A132 HydrophobicContact CD1-CB 4.12Å; G130-A132 PolarHBondContact O-N 3.41Å; A132-E134 VanDerWaalsContact C-N 3.28Å; A132-E134 PolarHBondContact O-N 3Å; A132-T135 PolarHBondContact O-N 3.27Å; A132-L136 WeakPolarHBondContact O-CB 3.43Å; A132-L136 WeakPolarHBondContact O-CG 3.43Å; A132-L136 PolarHBondContact O-N 3.44Å; A132-Y163 HydrophobicContact CB-CE1 3.74Å
133V98.4Very high98.5Very high46 Ų4658.1 Ų58.128%0.27932%0.321SS..Hα-helixtrans-54.5-44.4177.3177.70000111.5P131 L136 Q137 Y163 L166P131-V133 VanDerWaalsContact C-N 3.28Å; P131-V133 PolarHBondContact O-N 3.42Å; V133-L136 PolarHBondContact O-N 3.29Å; V133-Q137 WeakPolarHBondContact O-CB 3.22Å; V133-Q137 PolarHBondContact O-N 3.28Å; V133-Y163 HydrophobicContact CB-CE1 4.47Å; V133-Y163 HydrophobicContact CG2-CD1 4.03Å; V133-Y163 HydrophobicContact CG2-CE1 3.39Å; V133-L166 HydrophobicContact CB-CD1 4.45Å; V133-L166 HydrophobicContact CG1-CD1 3.92Å
134E98.2Very high98.5Very high119 Ų11956.4 Ų56.456%0.55630%0.303SS*.Hα-helixtrans-66.5-45.3-179.6-66177.8-167.700111.2P131 A132 L136 Q137 N138P131-E134 HydrophobicContact CB-CB 4.46Å; P131-E134 HydrophobicContact CB-CG 4.07Å; P131-E134 PolarHBondContact O-N 2.92Å; A132-E134 VanDerWaalsContact C-N 3.28Å; A132-E134 PolarHBondContact O-N 3Å; E134-L136 PolarHBondContact O-N 2.79Å; E134-Q137 PolarHBondContact O-N 3.3Å; E134-N138 WeakPolarHBondContact O-CB 3.3Å; E134-N138 PolarHBondContact O-N 2.88Å; E134-N138 PolarHBondContact O-ND2 3.2Å
135T98.5Very high98.4Very high25 Ų2557.8 Ų57.815%0.15332%0.316CS..Hα-helixtrans-62.6-44.1178-60.60000111.3L101 P131 A132 N138 L139L101-T135 HydrophobicContact CD1-CG2 4.12Å; L101-T135 HydrophobicContact CD2-CG2 3.64Å; P131-T135 PolarHBondContact O-N 3.41Å; A132-T135 PolarHBondContact O-N 3.27Å; T135-N138 PolarHBondContact O-N 3.37Å; T135-L139 WeakPolarHBondContact O-CG 3.46Å; T135-L139 PolarHBondContact O-N 3.3Å
136L98.8Very high98.4Very high0 Ų061.7 Ų61.70%033%0.333CS..Hα-helixtrans-64.8-41178.6-65.6170.8000112L75 V77 L101 A132 V133 E134 L139 I140 Y163 L166 L170L75-L136 HydrophobicContact CD1-CD2 4.02Å; L75-L136 HydrophobicContact CD2-CD2 3.97Å; V77-L136 HydrophobicContact CG2-CD1 4.33Å; L101-L136 HydrophobicContact CD1-CD2 3.91Å; L101-L136 HydrophobicContact CD1-CG 4.02Å; A132-L136 WeakPolarHBondContact O-CB 3.43Å; A132-L136 WeakPolarHBondContact O-CG 3.43Å; A132-L136 PolarHBondContact O-N 3.44Å; V133-L136 PolarHBondContact O-N 3.29Å; E134-L136 PolarHBondContact O-N 2.79Å; L136-L139 HydrophobicContact CD2-CD1 4.46Å; L136-L139 PolarHBondContact O-N 3.11Å; L136-I140 WeakPolarHBondContact O-CG1 3.3Å; L136-I140 PolarHBondContact O-N 3.39Å; L136-Y163 HydrophobicContact CD1-CD1 3.91Å; L136-L166 HydrophobicContact CB-CB 3.98Å; L136-L166 HydrophobicContact CB-CD1 3.99Å; L136-L166 HydrophobicContact CB-CG 4.49Å; L136-L166 HydrophobicContact CD1-CB 4.19Å; L136-L166 HydrophobicContact CD1-CD1 4.3Å; L136-L170 HydrophobicContact CB-CD1 4.15Å; L136-L170 HydrophobicContact CD2-CD1 3.6Å; L136-L170 HydrophobicContact CG-CD1 4.47Å
137Q98.6Very high98.4Very high68 Ų6861 Ų6132%0.31833%0.332SS..Hα-helixtrans-65.2-44.3175.8-173.857.757.500111.2V133 E134 L139 I140 D141V133-Q137 WeakPolarHBondContact O-CB 3.22Å; V133-Q137 PolarHBondContact O-N 3.28Å; E134-Q137 PolarHBondContact O-N 3.3Å; Q137-L139 VanDerWaalsContact C-N 3.28Å; Q137-L139 PolarHBondContact O-N 3.08Å; Q137-I140 WeakPolarHBondContact O-CB 3.23Å; Q137-I140 PolarHBondContact O-N 3.27Å; Q137-I140 VanDerWaalsContact O-N 3.08Å; Q137-D141 PolarHBondContact NE2-OD1 2.76Å; Q137-D141 PolarHBondContact NE2-OD2 3.01Å; Q137-D141 VanDerWaalsContact O-CG 3.27Å; Q137-D141 PolarHBondContact O-N 2.9Å
138N98.6Very high98.4Very high88 Ų8859.2 Ų59.247%0.47132%0.324SS..Hα-helixtrans-59.8-36.3176.3-74.3-28.8000112.5E134 T135 N142E134-N138 WeakPolarHBondContact O-CB 3.3Å; E134-N138 PolarHBondContact O-N 2.88Å; E134-N138 PolarHBondContact O-ND2 3.2Å; T135-N138 PolarHBondContact O-N 3.37Å; N138-N142 WeakPolarHBondContact O-CB 3.3Å; N138-N142 PolarHBondContact O-N 2.76Å; N138-N142 PolarHBondContact O-ND2 2.57Å
139L98.7Very high98.5Very high22 Ų2255 Ų5512%0.11531%0.31CS..Hα-helixtrans-60.8-48.5173.6-71.3167.8000110.9L75 L99 T135 L136 Q137 D141 N142 G143 E144 F148 L170L75-L139 HydrophobicContact CD2-CD1 4.24Å; L99-L139 HydrophobicContact CD2-CD1 3.61Å; L99-L139 HydrophobicContact CD2-CD2 4.25Å; L99-L139 HydrophobicContact CD2-CG 4.46Å; T135-L139 WeakPolarHBondContact O-CG 3.46Å; T135-L139 PolarHBondContact O-N 3.3Å; L136-L139 HydrophobicContact CD2-CD1 4.46Å; L136-L139 PolarHBondContact O-N 3.11Å; Q137-L139 VanDerWaalsContact C-N 3.28Å; Q137-L139 PolarHBondContact O-N 3.08Å; L139-D141 VanDerWaalsContact C-N 3.34Å; L139-D141 PolarHBondContact O-N 3.37Å; L139-N142 CarbonylContact O-C 3.38Å; L139-N142 PolarHBondContact O-N 2.84Å; L139-G143 PolarHBondContact O-N 2.88Å; L139-E144 HydrophobicContact CB-CB 3.98Å; L139-E144 HydrophobicContact CB-CG 4.46Å; L139-E144 HydrophobicContact CD2-CB 4.31Å; L139-E144 HydrophobicContact CD2-CG 4.02Å; L139-E144 VanDerWaalsContact O-CB 3.24Å; L139-E144 WeakPolarHBondContact O-CB 3.24Å; L139-E144 PolarHBondContact O-N 3.47Å; L139-F148 HydrophobicContact CD1-CE2 4.06Å; L139-F148 HydrophobicContact CD1-CZ 3.94Å; L139-F148 HydrophobicContact CD2-CZ 4.48Å; L139-L170 HydrophobicContact CB-CD1 4.35Å; L139-L170 HydrophobicContact CB-CD2 3.69Å; L139-L170 HydrophobicContact CD1-CD1 4.12Å
140I98.7Very high98.5Very high24 Ų2450 Ų5012%0.12329%0.287CS..Hα-helixtrans-58.8-48.2178.7-65.5165.3000110.4L136 Q137 N142 G143 L166 K169 L170L136-I140 WeakPolarHBondContact O-CG1 3.3Å; L136-I140 PolarHBondContact O-N 3.39Å; Q137-I140 WeakPolarHBondContact O-CB 3.23Å; Q137-I140 PolarHBondContact O-N 3.27Å; Q137-I140 VanDerWaalsContact O-N 3.08Å; I140-N142 PolarHBondContact O-N 3.03Å; I140-G143 PolarHBondContact O-N 3.37Å; I140-L166 HydrophobicContact CD1-CB 4.35Å; I140-L166 HydrophobicContact CD1-CD2 3.55Å; I140-K169 HydrophobicContact CD1-CB 3.94Å; I140-K169 HydrophobicContact CD1-CD 3.78Å; I140-K169 HydrophobicContact CG1-CB 4.31Å; I140-L170 HydrophobicContact CD1-CG 4.32Å; I140-L170 HydrophobicContact CG1-CD1 4.41Å; I140-L170 HydrophobicContact CG1-CD2 3.62Å; I140-L170 HydrophobicContact CG1-CG 3.8Å
141D98.6Very high98.6Very high106 Ų10649.4 Ų49.457%0.56728%0.28SS*.Hα-helixtrans-64.2-27.8-177.7-63.8-19.2000112.2Q137 L139 G143Q137-D141 PolarHBondContact NE2-OD1 2.76Å; Q137-D141 PolarHBondContact NE2-OD2 3.01Å; Q137-D141 VanDerWaalsContact O-CG 3.27Å; Q137-D141 PolarHBondContact O-N 2.9Å; L139-D141 VanDerWaalsContact C-N 3.34Å; L139-D141 PolarHBondContact O-N 3.37Å; D141-G143 VanDerWaalsContact C-N 3.34Å
142N98.3Very high98.6Very high134 Ų13446.7 Ų46.772%0.71726%0.262SS*.THydrogen-bonded Turntrans-91.914.8175.7-69.6-58000114N138 L139 I140N138-N142 WeakPolarHBondContact O-CB 3.3Å; N138-N142 PolarHBondContact O-N 2.76Å; N138-N142 PolarHBondContact O-ND2 2.57Å; L139-N142 CarbonylContact O-C 3.38Å; L139-N142 PolarHBondContact O-N 2.84Å; I140-N142 PolarHBondContact O-N 3.03Å
143G98.1Very high98.6Very high59 Ų5946.3 Ų46.361%0.60826%0.259SS*.THydrogen-bonded Turntrans83.616171.500000115.4L139 I140 D141 S145L139-G143 PolarHBondContact O-N 2.88Å; I140-G143 PolarHBondContact O-N 3.37Å; D141-G143 VanDerWaalsContact C-N 3.34Å; G143-S145 PolarHBondContact O-N 2.79Å
144E98.5Very high98.6Very high56 Ų5645.4 Ų45.426%0.26225%0.253SS..  trans-84.618.3177.2-67.2-88.1-147.900113.1K73 L139 E146 T147 F148 L170K73-E144 IonicContact NZ-OE1 2.84Å; K73-E144 PolarHBondContact NZ-OE1 2.93Å; K73-E144 IonicContact NZ-OE2 2.66Å; K73-E144 PolarHBondContact NZ-OE2 2.91Å; L139-E144 HydrophobicContact CB-CB 3.98Å; L139-E144 HydrophobicContact CB-CG 4.46Å; L139-E144 HydrophobicContact CD2-CB 4.31Å; L139-E144 HydrophobicContact CD2-CG 4.02Å; L139-E144 VanDerWaalsContact O-CB 3.24Å; L139-E144 WeakPolarHBondContact O-CB 3.24Å; L139-E144 PolarHBondContact O-N 3.47Å; E144-E146 PolarHBondContact O-N 2.9Å; E144-T147 PolarHBondContact O-OG1 3.29Å; E144-T147 VanDerWaalsContact O-OG1 3.05Å; E144-T147 WeakPolarHBondContact OE2-CB 3.4Å; E144-T147 WeakPolarHBondContact OE2-CG2 3.34Å; E144-T147 PolarHBondContact OE2-OG1 2.99Å; E144-F148 HydrophobicContact CB-CE2 4.45Å; E144-L170 HydrophobicContact CB-CD2 4.2Å; E144-L170 VanDerWaalsContact O-CD2 3.28Å; E144-L170 WeakPolarHBondContact O-CD2 3.3Å
145S98.5Very high98.6Very high54 Ų5440.9 Ų40.938%0.37824%0.236SC..THydrogen-bonded Turntrans-62.8136.5174.3-660000110.2G143 T147G143-S145 PolarHBondContact O-N 2.79Å; S145-T147 PolarHBondContact O-N 3.11Å
146E98.6Very high98.5Very high98 Ų9842.3 Ų42.346%0.45824%0.242SC..THydrogen-bonded Turntrans58.627.1178.4-50.1-161.4137.800115.6E144 K169 L170 R172 K230E144-E146 PolarHBondContact O-N 2.9Å; E146-K169 PolarHBondContact N-O 3.32Å; E146-L170 CarbonylContact C-O 3.45Å; E146-L170 WeakPolarHBondContact CA-O 3.41Å; E146-L170 PolarHBondContact N-O 3.06Å; E146-L170 VanDerWaalsContact N-O 3.15Å; E146-R172 VanDerWaalsContact O-CB 3.25Å; E146-R172 WeakPolarHBondContact O-CB 2.89Å; E146-K230 VanDerWaalsContact OE1-CE 3.3Å; E146-K230 WeakPolarHBondContact OE1-CE 3.38Å; E146-K230 IonicContact OE1-NZ 3.98Å; E146-K230 PolarHBondContact OE1-NZ 3.48Å
147T98.7Very high98.5Very high52 Ų5243.9 Ų43.932%0.31925%0.249SC..  trans-101.3-13.9179.170.40000114.2E144 S145 L170E144-T147 PolarHBondContact O-OG1 3.29Å; E144-T147 VanDerWaalsContact O-OG1 3.05Å; E144-T147 WeakPolarHBondContact OE2-CB 3.4Å; E144-T147 WeakPolarHBondContact OE2-CG2 3.34Å; E144-T147 PolarHBondContact OE2-OG1 2.99Å; S145-T147 PolarHBondContact O-N 3.11Å; T147-L170 PolarHBondContact N-O 2.84Å
148F98.9Very high98.4Very high1 Ų144.9 Ų44.90%0.00425%0.254CS..EExtended strand (participates in β ladder)trans-93.3139.6-178.8-70.2-94.3000112K73 L75 L99 L139 E144 L170 V171 R172K73-F148 HydrophobicContact CB-CD1 4.4Å; K73-F148 HydrophobicContact CD-CD1 4.17Å; K73-F148 HydrophobicContact CD-CE1 4.08Å; K73-F148 HydrophobicContact CD-CG 4.49Å; K73-F148 HydrophobicContact CD-CZ 4.29Å; K73-F148 HydrophobicContact CG-CD1 3.69Å; K73-F148 HydrophobicContact CG-CE1 3.73Å; K73-F148 HydrophobicContact CG-CG 4.39Å; K73-F148 HydrophobicContact CG-CZ 4.42Å; K73-F148 CarbonylContact O-C 3.49Å; K73-F148 WeakPolarHBondContact O-CA 3.25Å; L75-F148 HydrophobicContact CD1-CB 4.33Å; L75-F148 HydrophobicContact CD1-CD1 3.9Å; L75-F148 HydrophobicContact CD1-CD2 4.1Å; L75-F148 HydrophobicContact CD1-CE1 4.15Å; L75-F148 HydrophobicContact CD1-CE2 4.35Å; L75-F148 HydrophobicContact CD1-CG 3.85Å; L75-F148 HydrophobicContact CD1-CZ 4.35Å; L75-F148 HydrophobicContact CD2-CD1 4.11Å; L75-F148 HydrophobicContact CD2-CE1 3.57Å; L75-F148 HydrophobicContact CD2-CE2 4.49Å; L75-F148 HydrophobicContact CD2-CZ 3.79Å; L75-F148 HydrophobicContact CG-CD1 3.47Å; L75-F148 VanDerWaalsContact CG-CD1 3.47Å; L75-F148 HydrophobicContact CG-CD2 4.48Å; L75-F148 HydrophobicContact CG-CE1 3.49Å; L75-F148 VanDerWaalsContact CG-CE1 3.49Å; L75-F148 HydrophobicContact CG-CG 3.97Å; L75-F148 HydrophobicContact CG-CZ 4.04Å; L99-F148 HydrophobicContact CB-CE1 4.29Å; L99-F148 HydrophobicContact CD2-CE1 4.48Å; L99-F148 HydrophobicContact CD2-CZ 4.13Å; L139-F148 HydrophobicContact CD1-CE2 4.06Å; L139-F148 HydrophobicContact CD1-CZ 3.94Å; L139-F148 HydrophobicContact CD2-CZ 4.48Å; E144-F148 HydrophobicContact CB-CE2 4.45Å; F148-L170 HydrophobicContact CD2-CB 3.94Å; F148-L170 HydrophobicContact CD2-CD2 4.34Å; F148-L170 HydrophobicContact CE2-CD2 4.22Å; F148-L170 PolarHBondContact N-O 2.98Å; F148-V171 HydrophobicContact CB-CG1 4.26Å; F148-V171 CarbonylContact O-C 3.5Å; F148-V171 WeakPolarHBondContact O-CA 3.5Å; F148-R172 WeakPolarHBondContact O-CG 3.43Å; F148-R172 PolarHBondContact O-N 3.21Å
149D98.9Very high98.4Very high19 Ų1942.9 Ų42.910%0.10224%0.243CC..EExtended strand (participates in β ladder)trans-84.5-34178.1-62.3-69.9000112.7I69 A71 R72 K73 R172 G175 I176I69-D149 HydrophobicContact CD1-CB 4.29Å; I69-D149 WeakPolarHBondContact CD1-O 3.4Å; A71-D149 HydrophobicContact CB-CB 3.76Å; R72-D149 WeakPolarHBondContact CA-OD2 3.47Å; R72-D149 PolarHBondContact N-OD2 2.78Å; K73-D149 PolarHBondContact N-OD2 3.17Å; K73-D149 PolarHBondContact O-N 2.88Å; D149-R172 IonicContact OD1-CZ 2.7Å; D149-R172 IonicContact OD1-NE 3.06Å; D149-R172 PolarHBondContact OD1-NE 2.9Å; D149-R172 IonicContact OD1-NH2 3.32Å; D149-R172 PolarHBondContact OD1-NH2 3.19Å; D149-G175 WeakPolarHBondContact O-CA 3.33Å; D149-I176 PolarHBondContact O-N 3.31Å
150F98.9Very high98.4Very high0 Ų041.9 Ų41.90%024%0.238CC..EExtended strand (participates in β ladder)trans-147.1145.7-173.2178.6-88.3000110.9L62 C66 T74 L75 I88 M152 I176 A178L62-F150 HydrophobicContact CB-CZ 4.25Å; L62-F150 HydrophobicContact CD1-CZ 4.48Å; L62-F150 HydrophobicContact CD2-CE2 4.39Å; L62-F150 HydrophobicContact CD2-CZ 4.36Å; C66-F150 VanDerWaalsContact SG-CD2 3.51Å; C66-F150 WeakPolarHBondContact SG-CG 3.35Å; T74-F150 CarbonylContact C-O 3.57Å; T74-F150 VanDerWaalsContact CA-O 3.22Å; T74-F150 WeakPolarHBondContact CA-O 3.29Å; T74-F150 HydrophobicContact CG2-CB 3.85Å; L75-F150 PolarHBondContact N-O 2.84Å; I88-F150 HydrophobicContact CD1-CD1 4.03Å; I88-F150 HydrophobicContact CD1-CE1 3.57Å; I88-F150 HydrophobicContact CG1-CE1 4.47Å; F150-M152 HydrophobicContact CE1-CB 3.93Å; F150-I176 CarbonylContact C-O 3.53Å; F150-I176 WeakPolarHBondContact CA-O 3.01Å; F150-I176 HydrophobicContact CD2-CB 3.81Å; F150-I176 HydrophobicContact CD2-CG2 3.82Å; F150-I176 HydrophobicContact CE2-CB 4.34Å; F150-I176 HydrophobicContact CE2-CG2 3.82Å; F150-A178 HydrophobicContact CE2-CB 4.01Å; F150-A178 HydrophobicContact CZ-CB 3.71Å
151A98.9Very high98.3Very high0 Ų041.3 Ų41.30%024%0.236CC..EExtended strand (participates in β ladder)trans-135132.2169.100000111.2L75 C167 V171 I176 I177 A178L75-A151 HydrophobicContact CB-CB 3.89Å; L75-A151 HydrophobicContact CD1-CB 4.22Å; L75-A151 CarbonylContact O-C 3.17Å; L75-A151 WeakPolarHBondContact O-CA 3.18Å; A151-C167 HydrophobicContact CB-CB 4.07Å; A151-V171 HydrophobicContact CB-CG1 4.07Å; A151-I176 PolarHBondContact N-O 3.3Å; A151-I177 HydrophobicContact CB-CG1 4.39Å; A151-I177 HydrophobicContact CB-CG2 4.38Å; A151-I177 CarbonylContact O-C 3.48Å; A151-I177 WeakPolarHBondContact O-CA 3.2Å; A151-A178 PolarHBondContact O-N 3.45Å
152M98.7Very high98.3Very high1 Ų139.5 Ų39.51%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-98.7134166.4-171.462.6-171.800109.7I54 L62 L75 V77 F150 D154 A178 D180I54-M152 HydrophobicContact CD1-CE 3.45Å; I54-M152 VanDerWaalsContact CD1-CE 3.45Å; L62-M152 HydrophobicContact CD1-CE 3.95Å; L62-M152 HydrophobicContact CD1-SD 3.47Å; L62-M152 WeakPolarHBondContact CD1-SD 3.1Å; L75-M152 PolarHBondContact O-N 2.67Å; V77-M152 WeakPolarHBondContact CB-O 3.43Å; V77-M152 PolarHBondContact N-O 3.36Å; F150-M152 HydrophobicContact CE1-CB 3.93Å; M152-D154 HydrophobicContact CE-CB 4.11Å; M152-A178 CarbonylContact C-O 3.59Å; M152-A178 WeakPolarHBondContact CA-O 3.38Å; M152-A178 HydrophobicContact SD-CB 3.64Å; M152-D180 HydrophobicContact CE-CB 3.67Å
153I98.8Very high98.4Very high0 Ų033.6 Ų33.60%019%0.194CC..EExtended strand (participates in β ladder)trans-120.6107.6173.1-57.8173.8000108.4Y160 Y163 C167 I177 A178 I179 D180I153-Y160 HydrophobicContact CG2-CD1 3.97Å; I153-Y160 HydrophobicContact CG2-CE1 3.85Å; I153-Y160 HydrophobicContact CG2-CG 4.47Å; I153-Y163 HydrophobicContact CG2-CD2 4.04Å; I153-Y163 HydrophobicContact CG2-CG 4.32Å; I153-C167 HydrophobicContact CD1-CB 4.21Å; I153-I177 HydrophobicContact CD1-CG2 3.71Å; I153-I177 HydrophobicContact CG1-CG2 4.22Å; I153-A178 PolarHBondContact N-O 3.48Å; I153-I179 HydrophobicContact CB-CB 4.47Å; I153-I179 HydrophobicContact CB-CG1 4.26Å; I153-I179 HydrophobicContact CB-CG2 4.1Å; I153-I179 HydrophobicContact CD1-CD1 4.29Å; I153-I179 HydrophobicContact CD1-CG1 4.15Å; I153-I179 HydrophobicContact CG2-CG2 4.16Å; I153-I179 WeakPolarHBondContact O-CA 3.32Å; I153-D180 PolarHBondContact O-N 2.93Å; I153-D180 VanDerWaalsContact O-N 3.11Å
154D97.9Very high98.4Very high28 Ų2830.9 Ų30.915%0.1517%0.165CC..  trans-146.259.2174.6-170.318.6000112.4V77 M152 K157 Y160 D180 N181V77-D154 CarbonylContact O-C 3.53Å; V77-D154 PolarHBondContact O-N 2.9Å; M152-D154 HydrophobicContact CE-CB 4.11Å; D154-K157 IonicContact OD1-NZ 3.68Å; D154-K157 PolarHBondContact OD1-NZ 3.01Å; D154-Y160 WeakPolarHBondContact CA-OH 3.07Å; D154-Y160 PolarHBondContact OD1-OH 3.06Å; D154-D180 HydrophobicContact CB-CB 4.16Å; D154-N181 PolarHBondContact OD1-OD1 2.98Å
155A97.7Very high98.4Very high24 Ų2433.1 Ų33.120%0.19817%0.174CC..SBendtrans-117.1-144.1-178.700000112.2V77 K157 Y163V77-A155 HydrophobicContact CG1-CB 4.07Å; A155-K157 WeakPolarHBondContact O-CD 3.35Å; A155-K157 WeakPolarHBondContact O-CE 3.35Å; A155-K157 PolarHBondContact O-NZ 2.96Å; A155-Y163 HydrophobicContact CB-CE2 3.92Å
156D97.4Very high98.4Very high55 Ų5531.2 Ų31.229%0.29416%0.16SC..  trans-67.9123.5173.160-59.5000111.2E158 N159 Y160 Y163D156-E158 PolarHBondContact O-N 3.12Å; D156-N159 PolarHBondContact O-N 3.4Å; D156-N159 WeakPolarHBondContact OD2-CB 3.22Å; D156-N159 PolarHBondContact OD2-ND2 3.33Å; D156-Y160 VanDerWaalsContact O-CD1 3.31Å; D156-Y160 WeakPolarHBondContact O-CD1 3.3Å; D156-Y163 VanDerWaalsContact OD1-CE2 3.31Å; D156-Y163 WeakPolarHBondContact OD1-CE2 3.38Å; D156-Y163 VanDerWaalsContact OD1-CZ 3.31Å; D156-Y163 PolarHBondContact OD1-OH 3.5Å; D156-Y163 PolarHBondContact OD2-OH 3.46Å
157K97.7Very high98.4Very high32 Ų3226.6 Ų26.614%0.13914%0.138CC..G310 helixtrans-76.8-25.8-162.2-46.8-57.8-180-147.70112.7D154 A155 N159 Y160 N181 E197 I201D154-K157 IonicContact OD1-NZ 3.68Å; D154-K157 PolarHBondContact OD1-NZ 3.01Å; A155-K157 WeakPolarHBondContact O-CD 3.35Å; A155-K157 WeakPolarHBondContact O-CE 3.35Å; A155-K157 PolarHBondContact O-NZ 2.96Å; K157-N159 PolarHBondContact O-N 3.24Å; K157-Y160 HydrophobicContact CB-CD1 4.49Å; K157-Y160 HydrophobicContact CD-CD1 4.35Å; K157-Y160 HydrophobicContact CD-CD2 4.46Å; K157-Y160 HydrophobicContact CD-CE1 3.58Å; K157-Y160 HydrophobicContact CD-CE2 3.69Å; K157-Y160 WeakPolarHBondContact CD-OH 3.44Å; K157-Y160 WeakPolarHBondContact CE-OH 3.49Å; K157-Y160 PolarHBondContact NZ-OH 3.47Å; K157-Y160 WeakPolarHBondContact O-CB 3.36Å; K157-Y160 PolarHBondContact O-N 3.3Å; K157-N181 VanDerWaalsContact CE-OD1 3.29Å; K157-N181 WeakPolarHBondContact CE-OD1 3.23Å; K157-N181 PolarHBondContact NZ-OD1 2.93Å; K157-E197 HydrophobicContact CB-CB 3.67Å; K157-E197 HydrophobicContact CB-CG 4.26Å; K157-E197 HydrophobicContact CG-CB 4.18Å; K157-I201 HydrophobicContact CB-CD1 3.88Å; K157-I201 HydrophobicContact CB-CG1 3.95Å; K157-I201 HydrophobicContact CD-CD1 4.24Å; K157-I201 HydrophobicContact CG-CD1 3.99Å
158E97.3Very high98.4Very high90 Ų9025.4 Ų25.442%0.42113%0.13SC..G310 helixtrans-60.1-28.2173.962.3-91.2-139.200112.5D156 P196D156-E158 PolarHBondContact O-N 3.12Å; E158-P196 HydrophobicContact CB-CB 4.27Å
159N97.8Very high98.4Very high46 Ų4630.6 Ų30.625%0.24615%0.152CC..G310 helixtrans-96.44.5179-83.2-59.1000114.2D156 K157 S161 N162 Y163D156-N159 PolarHBondContact O-N 3.4Å; D156-N159 WeakPolarHBondContact OD2-CB 3.22Å; D156-N159 PolarHBondContact OD2-ND2 3.33Å; K157-N159 PolarHBondContact O-N 3.24Å; N159-S161 VanDerWaalsContact C-N 3.28Å; N159-S161 PolarHBondContact O-N 2.94Å; N159-N162 WeakPolarHBondContact O-CA 3.4Å; N159-N162 WeakPolarHBondContact O-CB 3.26Å; N159-N162 PolarHBondContact O-N 3.46Å; N159-N162 PolarHBondContact OD1-ND2 3.03Å; N159-Y163 HydrophobicContact CB-CD2 4.01Å; N159-Y163 HydrophobicContact CB-CE1 4.34Å; N159-Y163 HydrophobicContact CB-CE2 3.45Å; N159-Y163 VanDerWaalsContact CB-CE2 3.45Å; N159-Y163 WeakPolarHBondContact O-CD2 3.39Å; N159-Y163 PolarHBondContact O-N 3.19Å
160Y98.5Very high98.4Very high0 Ų029.7 Ų29.70%015%0.148CC..Hα-helixtrans-55.2-39.9-176.4-9022000113.9I153 D154 D156 K157 N162 Y163 Y164 I179 D180 I201 M204I153-Y160 HydrophobicContact CG2-CD1 3.97Å; I153-Y160 HydrophobicContact CG2-CE1 3.85Å; I153-Y160 HydrophobicContact CG2-CG 4.47Å; D154-Y160 WeakPolarHBondContact CA-OH 3.07Å; D154-Y160 PolarHBondContact OD1-OH 3.06Å; D156-Y160 VanDerWaalsContact O-CD1 3.31Å; D156-Y160 WeakPolarHBondContact O-CD1 3.3Å; K157-Y160 HydrophobicContact CB-CD1 4.49Å; K157-Y160 HydrophobicContact CD-CD1 4.35Å; K157-Y160 HydrophobicContact CD-CD2 4.46Å; K157-Y160 HydrophobicContact CD-CE1 3.58Å; K157-Y160 HydrophobicContact CD-CE2 3.69Å; K157-Y160 WeakPolarHBondContact CD-OH 3.44Å; K157-Y160 WeakPolarHBondContact CE-OH 3.49Å; K157-Y160 PolarHBondContact NZ-OH 3.47Å; K157-Y160 WeakPolarHBondContact O-CB 3.36Å; K157-Y160 PolarHBondContact O-N 3.3Å; Y160-N162 VanDerWaalsContact C-N 3.28Å; Y160-N162 PolarHBondContact O-N 2.85Å; Y160-Y163 HydrophobicContact CD1-CD2 4.07Å; Y160-Y163 PolarHBondContact O-N 2.76Å; Y160-Y164 VanDerWaalsContact O-CB 3.3Å; Y160-Y164 WeakPolarHBondContact O-CB 3.46Å; Y160-Y164 PolarHBondContact O-N 2.92Å; Y160-I179 HydrophobicContact CD2-CG2 3.78Å; Y160-I179 HydrophobicContact CE2-CG2 3.59Å; Y160-D180 WeakPolarHBondContact CE2-O 3.4Å; Y160-D180 PolarHBondContact OH-O 2.67Å; Y160-I201 HydrophobicContact CD2-CG1 4.04Å; Y160-I201 HydrophobicContact CE2-CG1 4.38Å; Y160-M204 HydrophobicContact CD2-CE 4.34Å; Y160-M204 HydrophobicContact CD2-SD 3.65Å; Y160-M204 HydrophobicContact CG-SD 4.14Å
161S98.4Very high98.4Very high12 Ų1229.7 Ų29.78%0.08415%0.148CC..Hα-helixtrans-61.3-36.2174.2-69.10000112.6N159 K165 M204N159-S161 VanDerWaalsContact C-N 3.28Å; N159-S161 PolarHBondContact O-N 2.94Å; S161-K165 WeakPolarHBondContact O-CD 3.44Å; S161-K165 VanDerWaalsContact O-CG 3.22Å; S161-K165 WeakPolarHBondContact O-CG 3.3Å; S161-K165 PolarHBondContact O-N 3.34Å; S161-M204 WeakPolarHBondContact OG-CA 3.41Å; S161-M204 PolarHBondContact OG-N 2.9Å
162N98.4Very high98.4Very high68 Ų6832.7 Ų32.736%0.36416%0.159SC..Hα-helixtrans-73.1-47.7177.8-66.5-31.1000110.6N159 Y160 Y164 K165 L166N159-N162 WeakPolarHBondContact O-CA 3.4Å; N159-N162 WeakPolarHBondContact O-CB 3.26Å; N159-N162 PolarHBondContact O-N 3.46Å; N159-N162 PolarHBondContact OD1-ND2 3.03Å; Y160-N162 VanDerWaalsContact C-N 3.28Å; Y160-N162 PolarHBondContact O-N 2.85Å; N162-Y164 VanDerWaalsContact C-N 3.34Å; N162-Y164 PolarHBondContact O-N 2.9Å; N162-K165 PolarHBondContact O-N 2.95Å; N162-L166 VanDerWaalsContact O-CG 3.3Å; N162-L166 WeakPolarHBondContact O-CG 3.08Å; N162-L166 PolarHBondContact O-N 3.34Å
163Y98.8Very high98.4Very high10 Ų1035.3 Ų35.34%0.03918%0.176CC..Hα-helixtrans-56.7-48175.3-61.5-42000111.5V77 A132 V133 L136 I153 A155 D156 N159 Y160 K165 L166 C167V77-Y163 HydrophobicContact CG1-CD1 4.16Å; V77-Y163 HydrophobicContact CG1-CD2 4.48Å; V77-Y163 HydrophobicContact CG1-CE1 4.2Å; V77-Y163 HydrophobicContact CG1-CG 4.31Å; A132-Y163 HydrophobicContact CB-CE1 3.74Å; V133-Y163 HydrophobicContact CB-CE1 4.47Å; V133-Y163 HydrophobicContact CG2-CD1 4.03Å; V133-Y163 HydrophobicContact CG2-CE1 3.39Å; L136-Y163 HydrophobicContact CD1-CD1 3.91Å; I153-Y163 HydrophobicContact CG2-CD2 4.04Å; I153-Y163 HydrophobicContact CG2-CG 4.32Å; A155-Y163 HydrophobicContact CB-CE2 3.92Å; D156-Y163 VanDerWaalsContact OD1-CE2 3.31Å; D156-Y163 WeakPolarHBondContact OD1-CE2 3.38Å; D156-Y163 VanDerWaalsContact OD1-CZ 3.31Å; D156-Y163 PolarHBondContact OD1-OH 3.5Å; D156-Y163 PolarHBondContact OD2-OH 3.46Å; N159-Y163 HydrophobicContact CB-CD2 4.01Å; N159-Y163 HydrophobicContact CB-CE1 4.34Å; N159-Y163 HydrophobicContact CB-CE2 3.45Å; N159-Y163 VanDerWaalsContact CB-CE2 3.45Å; N159-Y163 WeakPolarHBondContact O-CD2 3.39Å; N159-Y163 PolarHBondContact O-N 3.19Å; Y160-Y163 HydrophobicContact CD1-CD2 4.07Å; Y160-Y163 PolarHBondContact O-N 2.76Å; Y163-K165 PolarHBondContact O-N 2.85Å; Y163-L166 PolarHBondContact O-N 3.43Å; Y163-C167 VanDerWaalsContact O-CB 3.24Å; Y163-C167 WeakPolarHBondContact O-CB 3.44Å; Y163-C167 PolarHBondContact O-N 3.05Å; Y163-C167 PolarHBondContact O-SG 3.11Å
164Y98.8Very high98.4Very high2 Ų244.1 Ų44.11%0.00821%0.209CC..Hα-helixtrans-56.4-50177.6172.5-109.4000112.1Y160 N162 L166 C167 L168 I177 I179 L207 I208 D211 V228Y160-Y164 VanDerWaalsContact O-CB 3.3Å; Y160-Y164 WeakPolarHBondContact O-CB 3.46Å; Y160-Y164 PolarHBondContact O-N 2.92Å; N162-Y164 VanDerWaalsContact C-N 3.34Å; N162-Y164 PolarHBondContact O-N 2.9Å; Y164-L166 VanDerWaalsContact C-N 3.35Å; Y164-L166 PolarHBondContact O-N 2.99Å; Y164-C167 PolarHBondContact O-N 3.03Å; Y164-L168 HydrophobicContact CE1-CD2 4.28Å; Y164-L168 VanDerWaalsContact O-CB 3.23Å; Y164-L168 WeakPolarHBondContact O-CB 3.36Å; Y164-L168 PolarHBondContact O-N 2.84Å; Y164-I177 HydrophobicContact CD2-CD1 4.18Å; Y164-I177 HydrophobicContact CE2-CD1 4.08Å; Y164-I179 HydrophobicContact CD2-CD1 4.03Å; Y164-L207 HydrophobicContact CD1-CD2 3.72Å; Y164-L207 HydrophobicContact CD1-CG 4.28Å; Y164-L207 HydrophobicContact CE1-CD2 4.14Å; Y164-L207 HydrophobicContact CE1-CG 4.24Å; Y164-I208 HydrophobicContact CD1-CG1 3.99Å; Y164-I208 HydrophobicContact CD2-CD1 4.02Å; Y164-I208 HydrophobicContact CD2-CG1 4.05Å; Y164-I208 HydrophobicContact CE1-CG1 3.73Å; Y164-I208 HydrophobicContact CE2-CD1 4.13Å; Y164-I208 HydrophobicContact CE2-CG1 3.82Å; Y164-I208 HydrophobicContact CG-CD1 4.25Å; Y164-I208 HydrophobicContact CG-CG1 4.12Å; Y164-D211 PolarHBondContact OH-OD2 3.44Å; Y164-V228 HydrophobicContact CE2-CG1 4.17Å; Y164-V228 HydrophobicContact CE2-CG2 4.12Å
165K98.7Very high98.4Very high104 Ų10442.8 Ų42.845%0.45220%0.202SC..Hα-helixtrans-61.1-42180-73169.2-172.9172.50112.4S161 N162 Y163 K169 L207S161-K165 WeakPolarHBondContact O-CD 3.44Å; S161-K165 VanDerWaalsContact O-CG 3.22Å; S161-K165 WeakPolarHBondContact O-CG 3.3Å; S161-K165 PolarHBondContact O-N 3.34Å; N162-K165 PolarHBondContact O-N 2.95Å; Y163-K165 PolarHBondContact O-N 2.85Å; K165-K169 PolarHBondContact O-N 3.1Å; K165-L207 HydrophobicContact CD-CD2 4.46Å; K165-L207 HydrophobicContact CG-CD2 4.15Å
166L98.8Very high98.5Very high14 Ų1442 Ų427%0.07320%0.195CC..Hα-helixtrans-70.5-48179.7-66.7167.6000110.9V133 L136 I140 N162 Y163 Y164 L168 K169 L170V133-L166 HydrophobicContact CB-CD1 4.45Å; V133-L166 HydrophobicContact CG1-CD1 3.92Å; L136-L166 HydrophobicContact CB-CB 3.98Å; L136-L166 HydrophobicContact CB-CD1 3.99Å; L136-L166 HydrophobicContact CB-CG 4.49Å; L136-L166 HydrophobicContact CD1-CB 4.19Å; L136-L166 HydrophobicContact CD1-CD1 4.3Å; I140-L166 HydrophobicContact CD1-CB 4.35Å; I140-L166 HydrophobicContact CD1-CD2 3.55Å; N162-L166 VanDerWaalsContact O-CG 3.3Å; N162-L166 WeakPolarHBondContact O-CG 3.08Å; N162-L166 PolarHBondContact O-N 3.34Å; Y163-L166 PolarHBondContact O-N 3.43Å; Y164-L166 VanDerWaalsContact C-N 3.35Å; Y164-L166 PolarHBondContact O-N 2.99Å; L166-L168 VanDerWaalsContact C-N 3.29Å; L166-L168 PolarHBondContact O-N 2.88Å; L166-K169 WeakPolarHBondContact O-CB 3.49Å; L166-K169 PolarHBondContact O-N 3Å; L166-K169 VanDerWaalsContact O-N 3.15Å; L166-L170 WeakPolarHBondContact O-CG 3.25Å; L166-L170 PolarHBondContact O-N 3.49Å; L166-L170 VanDerWaalsContact O-N 3.11Å
167C98.8Very high98.5Very high0 Ų039.5 Ų39.50%018%0.181CC..Hα-helixtrans-58.5-40.6175.3-70.90000111.4A151 I153 Y163 Y164 K169 L170 V171 I177A151-C167 HydrophobicContact CB-CB 4.07Å; I153-C167 HydrophobicContact CD1-CB 4.21Å; Y163-C167 VanDerWaalsContact O-CB 3.24Å; Y163-C167 WeakPolarHBondContact O-CB 3.44Å; Y163-C167 PolarHBondContact O-N 3.05Å; Y163-C167 PolarHBondContact O-SG 3.11Å; Y164-C167 PolarHBondContact O-N 3.03Å; C167-K169 VanDerWaalsContact C-N 3.28Å; C167-K169 PolarHBondContact O-N 2.96Å; C167-L170 CarbonylContact O-C 3.37Å; C167-L170 PolarHBondContact O-N 3.31Å; C167-V171 VanDerWaalsContact O-CG2 3.3Å; C167-V171 WeakPolarHBondContact O-CG2 3.46Å; C167-V171 PolarHBondContact O-N 3.2Å; C167-I177 HydrophobicContact CB-CD1 4.09Å; C167-I177 HydrophobicContact CB-CG1 4.41Å; C167-I177 HydrophobicContact CB-CG2 4.48Å
168L98.8Very high98.6Very high28 Ų2838 Ų3815%0.14718%0.175CC..Hα-helixtrans-61.3-32.9177.9-17266.5000113.5Y164 L166 I177 D211 V214 K230Y164-L168 HydrophobicContact CE1-CD2 4.28Å; Y164-L168 VanDerWaalsContact O-CB 3.23Å; Y164-L168 WeakPolarHBondContact O-CB 3.36Å; Y164-L168 PolarHBondContact O-N 2.84Å; L166-L168 VanDerWaalsContact C-N 3.29Å; L166-L168 PolarHBondContact O-N 2.88Å; L168-I177 HydrophobicContact CB-CD1 4.1Å; L168-I177 HydrophobicContact CD1-CD1 4.11Å; L168-D211 WeakPolarHBondContact CD2-OD2 3.46Å; L168-V214 HydrophobicContact CD1-CG1 3.59Å; L168-V214 HydrophobicContact CD2-CG1 4.44Å; L168-K230 HydrophobicContact CD1-CB 4.29Å; L168-K230 HydrophobicContact CD1-CD 4.12Å; L168-K230 HydrophobicContact CD1-CG 4.17Å; L168-K230 PolarHBondContact O-NZ 3.25Å
169K98.7Very high98.7Very high110 Ų11033.7 Ų33.748%0.47816%0.155SC..Hα-helixtrans-72.3-37.5172.1-68.2173.5177.9-177.50111.9I140 E146 K165 L166 C167I140-K169 HydrophobicContact CD1-CB 3.94Å; I140-K169 HydrophobicContact CD1-CD 3.78Å; I140-K169 HydrophobicContact CG1-CB 4.31Å; E146-K169 PolarHBondContact N-O 3.32Å; K165-K169 PolarHBondContact O-N 3.1Å; L166-K169 WeakPolarHBondContact O-CB 3.49Å; L166-K169 PolarHBondContact O-N 3Å; L166-K169 VanDerWaalsContact O-N 3.15Å; C167-K169 VanDerWaalsContact C-N 3.28Å; C167-K169 PolarHBondContact O-N 2.96Å
170L98.9Very high98.7Very high0 Ų031.6 Ų31.60%014%0.143CC..Hα-helixtrans-78.6-33.5-177.2-70.6169.7000113.7L75 L136 L139 I140 E144 E146 T147 F148 L166 C167L75-L170 HydrophobicContact CD1-CB 4.21Å; L75-L170 HydrophobicContact CD1-CD1 3.96Å; L136-L170 HydrophobicContact CB-CD1 4.15Å; L136-L170 HydrophobicContact CD2-CD1 3.6Å; L136-L170 HydrophobicContact CG-CD1 4.47Å; L139-L170 HydrophobicContact CB-CD1 4.35Å; L139-L170 HydrophobicContact CB-CD2 3.69Å; L139-L170 HydrophobicContact CD1-CD1 4.12Å; I140-L170 HydrophobicContact CD1-CG 4.32Å; I140-L170 HydrophobicContact CG1-CD1 4.41Å; I140-L170 HydrophobicContact CG1-CD2 3.62Å; I140-L170 HydrophobicContact CG1-CG 3.8Å; E144-L170 HydrophobicContact CB-CD2 4.2Å; E144-L170 VanDerWaalsContact O-CD2 3.28Å; E144-L170 WeakPolarHBondContact O-CD2 3.3Å; E146-L170 CarbonylContact C-O 3.45Å; E146-L170 WeakPolarHBondContact CA-O 3.41Å; E146-L170 PolarHBondContact N-O 3.06Å; E146-L170 VanDerWaalsContact N-O 3.15Å; T147-L170 PolarHBondContact N-O 2.84Å; F148-L170 HydrophobicContact CD2-CB 3.94Å; F148-L170 HydrophobicContact CD2-CD2 4.34Å; F148-L170 HydrophobicContact CE2-CD2 4.22Å; F148-L170 PolarHBondContact N-O 2.98Å; L166-L170 WeakPolarHBondContact O-CG 3.25Å; L166-L170 PolarHBondContact O-N 3.49Å; L166-L170 VanDerWaalsContact O-N 3.11Å; C167-L170 CarbonylContact O-C 3.37Å; C167-L170 PolarHBondContact O-N 3.31Å
171V98.9Very high98.6Very high0 Ų033.2 Ų33.20%015%0.152CC..EExtended strand (participates in β ladder)trans-75.8139.3178.7-68.60000111.5F148 A151 C167 I177 K230F148-V171 HydrophobicContact CB-CG1 4.26Å; F148-V171 CarbonylContact O-C 3.5Å; F148-V171 WeakPolarHBondContact O-CA 3.5Å; A151-V171 HydrophobicContact CB-CG1 4.07Å; C167-V171 VanDerWaalsContact O-CG2 3.3Å; C167-V171 WeakPolarHBondContact O-CG2 3.46Å; C167-V171 PolarHBondContact O-N 3.2Å; V171-I177 HydrophobicContact CG1-CG1 4.08Å; V171-I177 HydrophobicContact CG2-CD1 3.83Å; V171-I177 HydrophobicContact CG2-CG1 3.82Å; V171-K230 HydrophobicContact CG2-CB 4.33Å; V171-K230 HydrophobicContact CG2-CD 4Å; V171-K230 VanDerWaalsContact O-CD 3.26Å; V171-K230 WeakPolarHBondContact O-CD 3.5Å; V171-K230 PolarHBondContact O-NZ 2.94Å
172R98.8Very high98.5Very high62 Ų6232.7 Ų32.723%0.23415%0.148CC..EExtended strand (participates in β ladder)trans-66.9162.8176.465.9162.9171.373.33.7112.3E146 F148 D149 R174 G175E146-R172 VanDerWaalsContact O-CB 3.25Å; E146-R172 WeakPolarHBondContact O-CB 2.89Å; F148-R172 WeakPolarHBondContact O-CG 3.43Å; F148-R172 PolarHBondContact O-N 3.21Å; D149-R172 IonicContact OD1-CZ 2.7Å; D149-R172 IonicContact OD1-NE 3.06Å; D149-R172 PolarHBondContact OD1-NE 2.9Å; D149-R172 IonicContact OD1-NH2 3.32Å; D149-R172 PolarHBondContact OD1-NH2 3.19Å; R172-R174 PolarHBondContact NH1-O 3.29Å; R172-R174 PolarHBondContact O-N 2.85Å; R172-G175 WeakPolarHBondContact O-CA 3.11Å; R172-G175 PolarHBondContact O-N 3.04Å
173P98.6Very high98.4Very high57 Ų5731 Ų3137%0.3714%0.139SC..EExtended strand (participates in β ladder)trans-49.2137.2163-27.736000111.5G175P173-G175 PolarHBondContact O-N 3.22Å; P173-G175 VanDerWaalsContact O-N 3.16Å
174R98.3Very high98.2Very high184 Ų18432.3 Ų32.369%0.69414%0.144SC*.EExtended strand (participates in β ladder)trans61.710.2-171.5-47170.862.699.30.9114.9R172 K230R172-R174 PolarHBondContact NH1-O 3.29Å; R172-R174 PolarHBondContact O-N 2.85Å; R174-K230 WeakPolarHBondContact CA-O 3.2Å; R174-K230 PolarHBondContact N-O 3.18Å
175G98.8Very high97.9Very high0 Ų040.9 Ų40.90%018%0.176CC..EExtended strand (participates in β ladder)trans-72.3159.5168.300000110.9D149 R172 P173 V229 K230D149-G175 WeakPolarHBondContact O-CA 3.33Å; R172-G175 WeakPolarHBondContact O-CA 3.11Å; R172-G175 PolarHBondContact O-N 3.04Å; P173-G175 PolarHBondContact O-N 3.22Å; P173-G175 VanDerWaalsContact O-N 3.16Å; G175-V229 WeakPolarHBondContact O-CA 3.21Å; G175-K230 PolarHBondContact O-N 3.13Å
176I98.9Very high97.8Very high9 Ų940.9 Ų40.95%0.04618%0.178CC..EExtended strand (participates in β ladder)trans-114.4137.5-173.8-60.7179.3000110.1L65 I69 D149 F150 A151 I227 V228 V229L65-I176 HydrophobicContact CB-CD1 4.07Å; I69-I176 HydrophobicContact CD1-CD1 4.1Å; I69-I176 HydrophobicContact CD1-CG1 4.2Å; I69-I176 HydrophobicContact CG2-CD1 3.82Å; D149-I176 PolarHBondContact O-N 3.31Å; F150-I176 CarbonylContact C-O 3.53Å; F150-I176 WeakPolarHBondContact CA-O 3.01Å; F150-I176 HydrophobicContact CD2-CB 3.81Å; F150-I176 HydrophobicContact CD2-CG2 3.82Å; F150-I176 HydrophobicContact CE2-CB 4.34Å; F150-I176 HydrophobicContact CE2-CG2 3.82Å; A151-I176 PolarHBondContact N-O 3.3Å; I176-I227 HydrophobicContact CG2-CG2 3.96Å; I176-V228 CarbonylContact C-O 3.55Å; I176-V228 VanDerWaalsContact CA-O 3.29Å; I176-V228 WeakPolarHBondContact CA-O 3.25Å; I176-V229 HydrophobicContact CG1-CG2 4.31Å
177I98.9Very high97.7Very high2 Ų246.5 Ų46.51%0.0120%0.198CC..EExtended strand (participates in β ladder)trans-117.2124.3166-52.2166.8000107.1A151 I153 Y164 C167 L168 V171 I179 V228A151-I177 HydrophobicContact CB-CG1 4.39Å; A151-I177 HydrophobicContact CB-CG2 4.38Å; A151-I177 CarbonylContact O-C 3.48Å; A151-I177 WeakPolarHBondContact O-CA 3.2Å; I153-I177 HydrophobicContact CD1-CG2 3.71Å; I153-I177 HydrophobicContact CG1-CG2 4.22Å; Y164-I177 HydrophobicContact CD2-CD1 4.18Å; Y164-I177 HydrophobicContact CE2-CD1 4.08Å; C167-I177 HydrophobicContact CB-CD1 4.09Å; C167-I177 HydrophobicContact CB-CG1 4.41Å; C167-I177 HydrophobicContact CB-CG2 4.48Å; L168-I177 HydrophobicContact CB-CD1 4.1Å; L168-I177 HydrophobicContact CD1-CD1 4.11Å; V171-I177 HydrophobicContact CG1-CG1 4.08Å; V171-I177 HydrophobicContact CG2-CD1 3.83Å; V171-I177 HydrophobicContact CG2-CG1 3.82Å; I177-I179 HydrophobicContact CG2-CD1 4.4Å; I177-I179 HydrophobicContact CG2-CG1 4Å; I177-V228 HydrophobicContact CB-CB 4.21Å; I177-V228 PolarHBondContact N-O 2.66Å; I177-V228 PolarHBondContact O-N 2.71Å
178A98.8Very high97.6Very high0 Ų047.5 Ų47.50%020%0.204CC..EExtended strand (participates in β ladder)trans-106.4135171.900000109.2L62 F150 A151 M152 I153 L225 T226L62-A178 HydrophobicContact CD1-CB 3.83Å; L62-A178 HydrophobicContact CD2-CB 3.47Å; L62-A178 VanDerWaalsContact CD2-CB 3.47Å; L62-A178 HydrophobicContact CG-CB 4.28Å; F150-A178 HydrophobicContact CE2-CB 4.01Å; F150-A178 HydrophobicContact CZ-CB 3.71Å; A151-A178 PolarHBondContact O-N 3.45Å; M152-A178 CarbonylContact C-O 3.59Å; M152-A178 WeakPolarHBondContact CA-O 3.38Å; M152-A178 HydrophobicContact SD-CB 3.64Å; I153-A178 PolarHBondContact N-O 3.48Å; A178-L225 HydrophobicContact CB-CD1 4.41Å; A178-T226 WeakPolarHBondContact CA-O 3.4Å
179I98.7Very high97.5Very high0 Ų052.6 Ų52.60%023%0.23CC..EExtended strand (participates in β ladder)trans-130.8120.1-178.6-44.1179.5000108.1I153 Y160 Y164 I177 V182 M204 I208 T226I153-I179 HydrophobicContact CB-CB 4.47Å; I153-I179 HydrophobicContact CB-CG1 4.26Å; I153-I179 HydrophobicContact CB-CG2 4.1Å; I153-I179 HydrophobicContact CD1-CD1 4.29Å; I153-I179 HydrophobicContact CD1-CG1 4.15Å; I153-I179 HydrophobicContact CG2-CG2 4.16Å; I153-I179 WeakPolarHBondContact O-CA 3.32Å; Y160-I179 HydrophobicContact CD2-CG2 3.78Å; Y160-I179 HydrophobicContact CE2-CG2 3.59Å; Y164-I179 HydrophobicContact CD2-CD1 4.03Å; I177-I179 HydrophobicContact CG2-CD1 4.4Å; I177-I179 HydrophobicContact CG2-CG1 4Å; I179-V182 HydrophobicContact CB-CG1 4.05Å; I179-V182 HydrophobicContact CG2-CG1 3.92Å; I179-V182 VanDerWaalsContact O-CG1 3.3Å; I179-V182 WeakPolarHBondContact O-CG1 3.15Å; I179-M204 HydrophobicContact CB-SD 4.46Å; I179-M204 HydrophobicContact CD1-SD 3.6Å; I179-M204 HydrophobicContact CG2-CE 4.38Å; I179-M204 HydrophobicContact CG2-SD 3.69Å; I179-I208 HydrophobicContact CD1-CD1 3.54Å; I179-T226 PolarHBondContact N-O 3.09Å; I179-T226 PolarHBondContact O-N 2.76Å
180D97.7Very high97.5Very high2 Ų251 Ų511%0.01123%0.227CC..  trans-90165.3-177.9-161.817.4000112.5I54 M152 I153 D154 Y160 V182 G224I54-D180 HydrophobicContact CD1-CB 4.41Å; M152-D180 HydrophobicContact CE-CB 3.67Å; I153-D180 PolarHBondContact O-N 2.93Å; I153-D180 VanDerWaalsContact O-N 3.11Å; D154-D180 HydrophobicContact CB-CB 4.16Å; Y160-D180 WeakPolarHBondContact CE2-O 3.4Å; Y160-D180 PolarHBondContact OH-O 2.67Å; D180-V182 VanDerWaalsContact C-N 3.26Å; D180-V182 PolarHBondContact O-N 3.23Å; D180-G224 CarbonylContact C-O 3.57Å
181N96.5Very high97.3Very high34 Ų3455.7 Ų55.718%0.18226%0.258CS..  trans57.628.3176-43149.3000115.4D154 K157 L183 R184 D223 G224D154-N181 PolarHBondContact OD1-OD1 2.98Å; K157-N181 VanDerWaalsContact CE-OD1 3.29Å; K157-N181 WeakPolarHBondContact CE-OD1 3.23Å; K157-N181 PolarHBondContact NZ-OD1 2.93Å; N181-L183 PolarHBondContact O-N 2.81Å; N181-L183 VanDerWaalsContact O-N 3.07Å; N181-R184 PolarHBondContact O-N 2.97Å; N181-D223 CarbonylContact C-O 3.54Å; N181-D223 VanDerWaalsContact CA-O 3.29Å; N181-D223 WeakPolarHBondContact CA-O 3.32Å; N181-D223 HydrophobicContact CB-CB 4.26Å; N181-G224 WeakPolarHBondContact CA-O 3.49Å; N181-G224 PolarHBondContact N-O 3.02Å
182V97.6Very high97.3Very high0 Ų062 Ų620%029%0.291CS..THydrogen-bonded Turntrans-71.1-5.5-172.9-52.40000114.4I179 D180 I201 M204 N205 L218 D223 G224 T226I179-V182 HydrophobicContact CB-CG1 4.05Å; I179-V182 HydrophobicContact CG2-CG1 3.92Å; I179-V182 VanDerWaalsContact O-CG1 3.3Å; I179-V182 WeakPolarHBondContact O-CG1 3.15Å; D180-V182 VanDerWaalsContact C-N 3.26Å; D180-V182 PolarHBondContact O-N 3.23Å; V182-I201 VanDerWaalsContact O-CG2 3.23Å; V182-I201 WeakPolarHBondContact O-CG2 3.29Å; V182-M204 HydrophobicContact CB-CE 4.25Å; V182-M204 HydrophobicContact CG1-CE 3.84Å; V182-N205 PolarHBondContact O-ND2 2.75Å; V182-L218 HydrophobicContact CG2-CD1 3.95Å; V182-L218 HydrophobicContact CG2-CD2 4.28Å; V182-L218 HydrophobicContact CG2-CG 3.86Å; V182-D223 PolarHBondContact N-O 2.97Å; V182-G224 PolarHBondContact N-O 3.25Å; V182-T226 WeakPolarHBondContact CG2-OG1 3.47Å
183L96.6Very high97.2Very high34 Ų3460 Ų6018%0.17829%0.286CS..THydrogen-bonded Turntrans-102.5-13.7172.4-61.6173.5000113N181 R185 H186 V188 L218 R220 D223N181-L183 PolarHBondContact O-N 2.81Å; N181-L183 VanDerWaalsContact O-N 3.07Å; L183-R185 PolarHBondContact O-N 2.78Å; L183-H186 VanDerWaalsContact O-CA 3.23Å; L183-H186 WeakPolarHBondContact O-CA 3.37Å; L183-H186 PolarHBondContact O-N 3.22Å; L183-V188 WeakPolarHBondContact O-CG2 3.33Å; L183-L218 HydrophobicContact CD2-CD2 4.05Å; L183-L218 HydrophobicContact CG-CD2 4.4Å; L183-R220 HydrophobicContact CD1-CG 4.43Å; L183-D223 WeakPolarHBondContact CA-O 3.28Å; L183-D223 VanDerWaalsContact CB-O 3.3Å; L183-D223 WeakPolarHBondContact CB-O 3.32Å; L183-D223 PolarHBondContact N-O 3.49Å
184R93.8Very high97.2Very high36 Ų3662.9 Ų62.914%0.13630%0.298CS..G310 helixtrans44.354.1175.4-152.7-164.7-175.8-162.1-3.4114.7N181 H186 R187 V188 S195 E197 T198 I201 D223N181-R184 PolarHBondContact O-N 2.97Å; R184-H186 PolarHBondContact O-N 3.32Å; R184-R187 HydrophobicContact CB-CB 4.41Å; R184-R187 WeakPolarHBondContact O-CB 3.36Å; R184-R187 VanDerWaalsContact O-CG 3.29Å; R184-R187 WeakPolarHBondContact O-CG 3.36Å; R184-R187 PolarHBondContact O-N 3.21Å; R184-V188 HydrophobicContact CB-CG1 4.14Å; R184-S195 PolarHBondContact NH1-OG 3.3Å; R184-E197 IonicContact CZ-OE2 3.36Å; R184-E197 IonicContact NH1-OE2 2.78Å; R184-E197 IonicContact NH2-OE1 3.62Å; R184-E197 PolarHBondContact NH2-OE1 3.49Å; R184-E197 IonicContact NH2-OE2 2.9Å; R184-E197 PolarHBondContact NH2-OE2 2.55Å; R184-E197 VanDerWaalsContact NH2-OE2 3.11Å; R184-T198 WeakPolarHBondContact CD-OG1 3.47Å; R184-T198 PolarHBondContact NH1-OG1 3.14Å; R184-I201 HydrophobicContact CB-CD1 3.71Å; R184-I201 HydrophobicContact CG-CD1 3.81Å; R184-D223 VanDerWaalsContact CA-OD2 3.28Å; R184-D223 WeakPolarHBondContact CA-OD2 3.31Å
185R92.9Very high97.2Very high182 Ų18255.4 Ų55.469%0.68727%0.274SS*.G310 helixtrans50.740.8-174.7-56.3-177.4-179.3172.91.2112.4L183 R187 D223L183-R185 PolarHBondContact O-N 2.78Å; R185-R187 PolarHBondContact O-N 3.19Å; R185-D223 WeakPolarHBondContact CA-OD1 3.36Å; R185-D223 PolarHBondContact N-OD1 3.4Å; R185-D223 PolarHBondContact N-OD2 3.3Å
186H95.2Very high97.1Very high105 Ų10559.6 Ų59.649%0.48630%0.301SS..G310 helixtrans66.94.9-176.2-44.8-53.5000115.5L183 R184 V188 L189L183-H186 VanDerWaalsContact O-CA 3.23Å; L183-H186 WeakPolarHBondContact O-CA 3.37Å; L183-H186 PolarHBondContact O-N 3.22Å; R184-H186 PolarHBondContact O-N 3.32Å; H186-V188 PolarHBondContact O-N 3.17Å; H186-L189 HydrophobicContact CB-CD1 4.29Å; H186-L189 WeakPolarHBondContact O-CB 3.21Å; H186-L189 PolarHBondContact O-N 3.24Å
187R96.8Very high97.1Very high132 Ų13262.2 Ų62.250%0.49831%0.313SS..G310 helixtrans-62.1-26.5179.2-71.6-170.8150.3-163-5.2113.4R184 R185 L189 D190 D193 R202R184-R187 HydrophobicContact CB-CB 4.41Å; R184-R187 WeakPolarHBondContact O-CB 3.36Å; R184-R187 VanDerWaalsContact O-CG 3.29Å; R184-R187 WeakPolarHBondContact O-CG 3.36Å; R184-R187 PolarHBondContact O-N 3.21Å; R185-R187 PolarHBondContact O-N 3.19Å; R187-L189 PolarHBondContact O-N 2.87Å; R187-D190 PolarHBondContact O-N 3.34Å; R187-D193 WeakPolarHBondContact CB-OD2 3.19Å; R187-D193 WeakPolarHBondContact CD-OD2 3.48Å; R187-D193 IonicContact NE-OD2 3.91Å; R187-R202 PolarHBondContact O-NH2 3.36Å
188V97.1Very high97Very high21 Ų2162.1 Ų62.113%0.12731%0.313CS..G310 helixtrans-57.6-20.4172.6-59.10000113L183 R184 H186 I201 R202L183-V188 WeakPolarHBondContact O-CG2 3.33Å; R184-V188 HydrophobicContact CB-CG1 4.14Å; H186-V188 PolarHBondContact O-N 3.17Å; V188-I201 HydrophobicContact CG1-CB 4.24Å; V188-I201 HydrophobicContact CG1-CG2 3.54Å; V188-R202 HydrophobicContact CB-CG 4.26Å; V188-R202 HydrophobicContact CG1-CG 4.48Å; V188-R202 PolarHBondContact O-NE 2.9Å; V188-R202 PolarHBondContact O-NH2 3.42Å
189L97.2Very high97Very high134 Ų13464.1 Ų64.170%0.70233%0.325SS*.G310 helixtrans-87.9-17178.4-55.8179.2000114.2H186 R187 P191H186-L189 HydrophobicContact CB-CD1 4.29Å; H186-L189 WeakPolarHBondContact O-CB 3.21Å; H186-L189 PolarHBondContact O-N 3.24Å; R187-L189 PolarHBondContact O-N 2.87Å; L189-P191 WeakPolarHBondContact O-CD 3.29Å
190D97.7Very high97Very high76 Ų7664.3 Ų64.341%0.40633%0.326SS..  trans-85.7102.3-178.3179.2-0000111R187 N192 D193 R202R187-D190 PolarHBondContact O-N 3.34Å; D190-N192 PolarHBondContact O-N 2.79Å; D190-N192 PolarHBondContact OD1-N 2.82Å; D190-D193 HydrophobicContact CB-CB 4.2Å; D190-D193 PolarHBondContact O-N 2.79Å; D190-R202 VanDerWaalsContact C-NH2 3.34Å; D190-R202 PolarHBondContact O-NH2 3.46Å
191P96.6Very high97Very high100 Ų10064.2 Ų64.265%0.64933%0.326SS*.THydrogen-bonded Turntrans-60.5-14-174.928.5-36.7000114.1L189L189-P191 WeakPolarHBondContact O-CD 3.29Å
192N97.9Very high97.1Very high131 Ų13165.6 Ų65.670%0.70133%0.329SS*.THydrogen-bonded Turntrans-93.9-13178.7-55-61.6000113.5D190 N194D190-N192 PolarHBondContact O-N 2.79Å; D190-N192 PolarHBondContact OD1-N 2.82Å; N192-N194 PolarHBondContact O-N 2.82Å; N192-N194 PolarHBondContact O-ND2 3.18Å
193D97.5Very high97.1Very high21 Ų2170.9 Ų70.911%0.11235%0.353CS..  trans-76.8106.2173.3-174.9-0000110R187 D190 S195 T198 R202R187-D193 WeakPolarHBondContact CB-OD2 3.19Å; R187-D193 WeakPolarHBondContact CD-OD2 3.48Å; R187-D193 IonicContact NE-OD2 3.91Å; D190-D193 HydrophobicContact CB-CB 4.2Å; D190-D193 PolarHBondContact O-N 2.79Å; D193-S195 VanDerWaalsContact OD1-CB 3.32Å; D193-S195 WeakPolarHBondContact OD1-CB 3.42Å; D193-S195 PolarHBondContact OD1-N 2.82Å; D193-S195 PolarHBondContact OD1-OG 3.06Å; D193-S195 PolarHBondContact OD2-OG 2.93Å; D193-T198 HydrophobicContact CB-CG2 4.18Å; D193-T198 PolarHBondContact OD2-OG1 3.42Å; D193-R202 PolarHBondContact O-NH1 2.96Å
194N97.4Very high97.2Very high118 Ų11869.3 Ų69.363%0.63135%0.345SS*.  trans-111.120.7177.4-64.9-63.5000112.3N192N192-N194 PolarHBondContact O-N 2.82Å; N192-N194 PolarHBondContact O-ND2 3.18Å
195S98.1Very high97.5Very high27 Ų2769 Ų6919%0.18935%0.346CS..  trans-60.1142.1172.454.40000110.6R184 D193 E197 T198 V199R184-S195 PolarHBondContact NH1-OG 3.3Å; D193-S195 VanDerWaalsContact OD1-CB 3.32Å; D193-S195 WeakPolarHBondContact OD1-CB 3.42Å; D193-S195 PolarHBondContact OD1-N 2.82Å; D193-S195 PolarHBondContact OD1-OG 3.06Å; D193-S195 PolarHBondContact OD2-OG 2.93Å; S195-E197 PolarHBondContact O-N 2.74Å; S195-T198 PolarHBondContact O-N 3.49Å; S195-T198 PolarHBondContact OG-OG1 2.9Å; S195-V199 PolarHBondContact O-N 3.41Å
196P98.1Very high97.7Very high88 Ų8863.6 Ų63.657%0.57134%0.34SS*.Hα-helixtrans-50.4-39.4-172.4-30.235.9000114.1E158 G200E158-P196 HydrophobicContact CB-CB 4.27Å; P196-G200 PolarHBondContact O-N 2.82Å
197E97.7Very high97.9Very high64 Ų6461.5 Ų61.530%0.29933%0.332SS..Hα-helixtrans-75.5-31.5-178-50.5103.7120.900112.4K157 R184 S195 I201K157-E197 HydrophobicContact CB-CB 3.67Å; K157-E197 HydrophobicContact CB-CG 4.26Å; K157-E197 HydrophobicContact CG-CB 4.18Å; R184-E197 IonicContact CZ-OE2 3.36Å; R184-E197 IonicContact NH1-OE2 2.78Å; R184-E197 IonicContact NH2-OE1 3.62Å; R184-E197 PolarHBondContact NH2-OE1 3.49Å; R184-E197 IonicContact NH2-OE2 2.9Å; R184-E197 PolarHBondContact NH2-OE2 2.55Å; R184-E197 VanDerWaalsContact NH2-OE2 3.11Å; S195-E197 PolarHBondContact O-N 2.74Å; E197-I201 VanDerWaalsContact O-CG1 3.32Å; E197-I201 WeakPolarHBondContact O-CG1 3.37Å; E197-I201 PolarHBondContact O-N 3.22Å
198T98Very high98Very high0 Ų055.4 Ų55.40%031%0.309CS..Hα-helixtrans-71.4-42.7175.9-76.60000108.4R184 D193 S195 I201 R202R184-T198 WeakPolarHBondContact CD-OG1 3.47Å; R184-T198 PolarHBondContact NH1-OG1 3.14Å; D193-T198 HydrophobicContact CB-CG2 4.18Å; D193-T198 PolarHBondContact OD2-OG1 3.42Å; S195-T198 PolarHBondContact O-N 3.49Å; S195-T198 PolarHBondContact OG-OG1 2.9Å; T198-I201 PolarHBondContact O-N 3.46Å; T198-R202 VanDerWaalsContact CG2-CZ 3.45Å; T198-R202 VanDerWaalsContact CG2-NH2 3.29Å; T198-R202 WeakPolarHBondContact O-CG 3.31Å; T198-R202 PolarHBondContact O-N 3.45Å
199V98Very high98Very high42 Ų4258.3 Ų58.326%0.25534%0.336SS..Hα-helixtrans-60.9-50.1174.41760000110S195 I201 R202 E203S195-V199 PolarHBondContact O-N 3.41Å; V199-I201 VanDerWaalsContact C-N 3.33Å; V199-I201 PolarHBondContact O-N 3.15Å; V199-R202 PolarHBondContact O-N 2.92Å; V199-R202 VanDerWaalsContact O-N 3.1Å; V199-E203 HydrophobicContact CG1-CG 4.24Å; V199-E203 WeakPolarHBondContact O-CG 3.42Å; V199-E203 PolarHBondContact O-N 3.01Å
200G98.1Very high98.1Very high3 Ų354.4 Ų54.43%0.03133%0.328CS..Hα-helixtrans-56.3-43.2178.600000113.5P196 M204P196-G200 PolarHBondContact O-N 2.82Å; G200-M204 WeakPolarHBondContact O-CB 3.48Å; G200-M204 PolarHBondContact O-N 2.6Å
201I98.4Very high98.1Very high0 Ų052.5 Ų52.50%032%0.318CS..Hα-helixtrans-68.1-41.3176.2-69.7169000111.8K157 Y160 V182 R184 V188 E197 T198 V199 M204 N205K157-I201 HydrophobicContact CB-CD1 3.88Å; K157-I201 HydrophobicContact CB-CG1 3.95Å; K157-I201 HydrophobicContact CD-CD1 4.24Å; K157-I201 HydrophobicContact CG-CD1 3.99Å; Y160-I201 HydrophobicContact CD2-CG1 4.04Å; Y160-I201 HydrophobicContact CE2-CG1 4.38Å; V182-I201 VanDerWaalsContact O-CG2 3.23Å; V182-I201 WeakPolarHBondContact O-CG2 3.29Å; R184-I201 HydrophobicContact CB-CD1 3.71Å; R184-I201 HydrophobicContact CG-CD1 3.81Å; V188-I201 HydrophobicContact CG1-CB 4.24Å; V188-I201 HydrophobicContact CG1-CG2 3.54Å; E197-I201 VanDerWaalsContact O-CG1 3.32Å; E197-I201 WeakPolarHBondContact O-CG1 3.37Å; E197-I201 PolarHBondContact O-N 3.22Å; T198-I201 PolarHBondContact O-N 3.46Å; V199-I201 VanDerWaalsContact C-N 3.33Å; V199-I201 PolarHBondContact O-N 3.15Å; I201-M204 PolarHBondContact O-N 2.89Å; I201-N205 WeakPolarHBondContact O-CB 3.37Å; I201-N205 VanDerWaalsContact O-CG 3.32Å; I201-N205 PolarHBondContact O-N 3.21Å; I201-N205 PolarHBondContact O-ND2 2.69Å
202R98.5Very high98.1Very high64 Ų6454.3 Ų54.324%0.24232%0.322CS..Hα-helixtrans-61.9-46.2176.5-77.4-178.1-173.3139.917111.5R187 V188 D190 D193 T198 V199 N205 A206R187-R202 PolarHBondContact O-NH2 3.36Å; V188-R202 HydrophobicContact CB-CG 4.26Å; V188-R202 HydrophobicContact CG1-CG 4.48Å; V188-R202 PolarHBondContact O-NE 2.9Å; V188-R202 PolarHBondContact O-NH2 3.42Å; D190-R202 VanDerWaalsContact C-NH2 3.34Å; D190-R202 PolarHBondContact O-NH2 3.46Å; D193-R202 PolarHBondContact O-NH1 2.96Å; T198-R202 VanDerWaalsContact CG2-CZ 3.45Å; T198-R202 VanDerWaalsContact CG2-NH2 3.29Å; T198-R202 WeakPolarHBondContact O-CG 3.31Å; T198-R202 PolarHBondContact O-N 3.45Å; V199-R202 PolarHBondContact O-N 2.92Å; V199-R202 VanDerWaalsContact O-N 3.1Å; R202-N205 PolarHBondContact O-N 3.37Å; R202-A206 WeakPolarHBondContact O-CB 3.39Å; R202-A206 PolarHBondContact O-N 3.48Å
203E98.4Very high98.1Very high111 Ų11152 Ų5252%0.51932%0.315SS..Hα-helixtrans-60.5-46.1177.6-72.7-179.8171.800111.2V199 A206 L207V199-E203 HydrophobicContact CG1-CG 4.24Å; V199-E203 WeakPolarHBondContact O-CG 3.42Å; V199-E203 PolarHBondContact O-N 3.01Å; E203-A206 PolarHBondContact O-N 2.62Å; E203-L207 VanDerWaalsContact O-CB 3.26Å; E203-L207 WeakPolarHBondContact O-CB 3.37Å; E203-L207 PolarHBondContact O-N 3.03Å
204M98.6Very high98.1Very high0 Ų051.4 Ų51.40%031%0.312CS..Hα-helixtrans-63.8-45.6177.3-179.1-139.65900111.7Y160 S161 I179 V182 G200 I201 A206 L207 I208Y160-M204 HydrophobicContact CD2-CE 4.34Å; Y160-M204 HydrophobicContact CD2-SD 3.65Å; Y160-M204 HydrophobicContact CG-SD 4.14Å; S161-M204 WeakPolarHBondContact OG-CA 3.41Å; S161-M204 PolarHBondContact OG-N 2.9Å; I179-M204 HydrophobicContact CB-SD 4.46Å; I179-M204 HydrophobicContact CD1-SD 3.6Å; I179-M204 HydrophobicContact CG2-CE 4.38Å; I179-M204 HydrophobicContact CG2-SD 3.69Å; V182-M204 HydrophobicContact CB-CE 4.25Å; V182-M204 HydrophobicContact CG1-CE 3.84Å; G200-M204 WeakPolarHBondContact O-CB 3.48Å; G200-M204 PolarHBondContact O-N 2.6Å; I201-M204 PolarHBondContact O-N 2.89Å; M204-A206 VanDerWaalsContact C-N 3.34Å; M204-A206 PolarHBondContact O-N 2.76Å; M204-L207 WeakPolarHBondContact O-CB 3.31Å; M204-L207 PolarHBondContact O-N 2.94Å; M204-I208 HydrophobicContact CE-CD1 4.21Å; M204-I208 HydrophobicContact CG-CD1 3.83Å; M204-I208 HydrophobicContact CG-CG1 4.47Å; M204-I208 VanDerWaalsContact O-CG1 3.31Å; M204-I208 WeakPolarHBondContact O-CG1 3.27Å; M204-I208 PolarHBondContact O-N 3.11Å; M204-I208 HydrophobicContact SD-CD1 4.02Å
205N98.6Very high98.2Very high31 Ų3154.3 Ų54.317%0.16632%0.315CS..Hα-helixtrans-60-43.7176.9-79.6-26.1000111.6V182 I201 R202 A209V182-N205 PolarHBondContact O-ND2 2.75Å; I201-N205 WeakPolarHBondContact O-CB 3.37Å; I201-N205 VanDerWaalsContact O-CG 3.32Å; I201-N205 PolarHBondContact O-N 3.21Å; I201-N205 PolarHBondContact O-ND2 2.69Å; R202-N205 PolarHBondContact O-N 3.37Å; N205-A209 VanDerWaalsContact O-CB 3.28Å; N205-A209 WeakPolarHBondContact O-CB 3.34Å; N205-A209 PolarHBondContact O-N 3Å
206A98.4Very high98.2Very high68 Ų6856.3 Ų56.356%0.56233%0.325SS*.Hα-helixtrans-65.4-41.217700000112R202 E203 M204 A209 G210R202-A206 WeakPolarHBondContact O-CB 3.39Å; R202-A206 PolarHBondContact O-N 3.48Å; E203-A206 PolarHBondContact O-N 2.62Å; M204-A206 VanDerWaalsContact C-N 3.34Å; M204-A206 PolarHBondContact O-N 2.76Å; A206-A209 PolarHBondContact O-N 2.93Å; A206-G210 PolarHBondContact O-N 2.7Å; A206-G210 VanDerWaalsContact O-N 3.15Å
207L98.5Very high98.2Very high60 Ų6055.3 Ų55.331%0.31432%0.32SS..Hα-helixtrans-58.6-51.8175.8176.765.8000111.2Y164 K165 E203 M204 A209 G210 D211Y164-L207 HydrophobicContact CD1-CD2 3.72Å; Y164-L207 HydrophobicContact CD1-CG 4.28Å; Y164-L207 HydrophobicContact CE1-CD2 4.14Å; Y164-L207 HydrophobicContact CE1-CG 4.24Å; K165-L207 HydrophobicContact CD-CD2 4.46Å; K165-L207 HydrophobicContact CG-CD2 4.15Å; E203-L207 VanDerWaalsContact O-CB 3.26Å; E203-L207 WeakPolarHBondContact O-CB 3.37Å; E203-L207 PolarHBondContact O-N 3.03Å; M204-L207 WeakPolarHBondContact O-CB 3.31Å; M204-L207 PolarHBondContact O-N 2.94Å; L207-A209 PolarHBondContact O-N 3.07Å; L207-G210 PolarHBondContact O-N 3.06Å; L207-D211 PolarHBondContact O-N 3.05Å
208I98.6Very high98.3Very high4 Ų456.3 Ų56.32%0.02133%0.328CS..Hα-helixtrans-65.4-40.5-179.1-63.6168.5000110.9Y164 I179 M204 G210 D211 V216 T226 V228Y164-I208 HydrophobicContact CD1-CG1 3.99Å; Y164-I208 HydrophobicContact CD2-CD1 4.02Å; Y164-I208 HydrophobicContact CD2-CG1 4.05Å; Y164-I208 HydrophobicContact CE1-CG1 3.73Å; Y164-I208 HydrophobicContact CE2-CD1 4.13Å; Y164-I208 HydrophobicContact CE2-CG1 3.82Å; Y164-I208 HydrophobicContact CG-CD1 4.25Å; Y164-I208 HydrophobicContact CG-CG1 4.12Å; I179-I208 HydrophobicContact CD1-CD1 3.54Å; M204-I208 HydrophobicContact CE-CD1 4.21Å; M204-I208 HydrophobicContact CG-CD1 3.83Å; M204-I208 HydrophobicContact CG-CG1 4.47Å; M204-I208 VanDerWaalsContact O-CG1 3.31Å; M204-I208 WeakPolarHBondContact O-CG1 3.27Å; M204-I208 PolarHBondContact O-N 3.11Å; M204-I208 HydrophobicContact SD-CD1 4.02Å; I208-G210 PolarHBondContact O-N 3.25Å; I208-D211 PolarHBondContact O-N 2.89Å; I208-D211 VanDerWaalsContact O-N 3.11Å; I208-V216 HydrophobicContact CG2-CB 4.01Å; I208-V216 HydrophobicContact CG2-CG2 3.58Å; I208-T226 HydrophobicContact CD1-CG2 4.25Å; I208-T226 HydrophobicContact CG2-CG2 4.49Å; I208-V228 HydrophobicContact CD1-CG2 4.31Å; I208-V228 HydrophobicContact CG2-CG2 3.89Å
209A98.4Very high98.2Very high82 Ų8259.4 Ų59.468%0.67834%0.343SS*.Hα-helixtrans-61.9-31.4178.800000112.9N205 A206 L207N205-A209 VanDerWaalsContact O-CB 3.28Å; N205-A209 WeakPolarHBondContact O-CB 3.34Å; N205-A209 PolarHBondContact O-N 3Å; A206-A209 PolarHBondContact O-N 2.93Å; L207-A209 PolarHBondContact O-N 3.07Å
210G98.1Very high97.9Very high53 Ų5368 Ų6855%0.54637%0.372SS..THydrogen-bonded Turntrans-88.3-5.1175.600000115A206 L207 I208 N212A206-G210 PolarHBondContact O-N 2.7Å; A206-G210 VanDerWaalsContact O-N 3.15Å; L207-G210 PolarHBondContact O-N 3.06Å; I208-G210 PolarHBondContact O-N 3.25Å; G210-N212 PolarHBondContact O-N 3.24Å
211D98Very high97.5Very high36 Ų3669.6 Ų69.619%0.19338%0.381CS..  trans-83.9106.9-173.2-168.3-16.6000112.1Y164 L168 L207 I208 C213 V214Y164-D211 PolarHBondContact OH-OD2 3.44Å; L168-D211 WeakPolarHBondContact CD2-OD2 3.46Å; L207-D211 PolarHBondContact O-N 3.05Å; I208-D211 PolarHBondContact O-N 2.89Å; I208-D211 VanDerWaalsContact O-N 3.11Å; D211-C213 VanDerWaalsContact C-N 3.27Å; D211-C213 PolarHBondContact O-N 3.05Å; D211-C213 WeakPolarHBondContact OD1-CA 3.47Å; D211-C213 VanDerWaalsContact OD1-CB 3.24Å; D211-C213 WeakPolarHBondContact OD1-CB 3.45Å; D211-C213 PolarHBondContact OD1-N 3.37Å; D211-V214 HydrophobicContact CB-CG2 4Å; D211-V214 WeakPolarHBondContact O-CG2 3.36Å
212N97.6Very high97.1Very high138 Ų13872.5 Ų72.574%0.73841%0.411SS*.THydrogen-bonded Turntrans-75.7-10.1178.7-71.7-53.7000114G210 V214 K231G210-N212 PolarHBondContact O-N 3.24Å; N212-V214 VanDerWaalsContact C-N 3.26Å; N212-V214 PolarHBondContact O-N 3.01Å; N212-K231 WeakPolarHBondContact O-CD 3.29Å; N212-K231 PolarHBondContact O-NZ 2.96Å
213C96.8Very high96.9Very high82 Ų8271.3 Ų71.355%0.55441%0.409SS*.THydrogen-bonded Turntrans-83.1-3.1178.5-63.80000112.8D211 K231D211-C213 VanDerWaalsContact C-N 3.27Å; D211-C213 PolarHBondContact O-N 3.05Å; D211-C213 WeakPolarHBondContact OD1-CA 3.47Å; D211-C213 VanDerWaalsContact OD1-CB 3.24Å; D211-C213 WeakPolarHBondContact OD1-CB 3.45Å; D211-C213 PolarHBondContact OD1-N 3.37Å; C213-K231 VanDerWaalsContact O-CB 3.27Å; C213-K231 WeakPolarHBondContact O-CB 3.42Å; C213-K231 WeakPolarHBondContact O-CG 3.18Å; C213-K231 PolarHBondContact O-N 2.84Å
214V98.7Very high96.8Very high9 Ų966 Ų666%0.05538%0.384CS..EExtended strand (participates in β ladder)trans-129.5163.1-176.5-54.50000112.9L168 D211 N212 V228 V229 K231L168-V214 HydrophobicContact CD1-CG1 3.59Å; L168-V214 HydrophobicContact CD2-CG1 4.44Å; D211-V214 HydrophobicContact CB-CG2 4Å; D211-V214 WeakPolarHBondContact O-CG2 3.36Å; N212-V214 VanDerWaalsContact C-N 3.26Å; N212-V214 PolarHBondContact O-N 3.01Å; V214-V228 HydrophobicContact CB-CG1 3.42Å; V214-V228 VanDerWaalsContact CB-CG1 3.42Å; V214-V228 HydrophobicContact CG1-CG1 3.59Å; V214-V228 HydrophobicContact CG2-CG1 3.69Å; V214-V229 CarbonylContact C-O 3.59Å; V214-V229 WeakPolarHBondContact CA-O 3.24Å; V214-K231 WeakPolarHBondContact O-CE 3.32Å; V214-K231 PolarHBondContact O-NZ 3.21Å
215R98.6Very high96.7Very high179 Ų17966 Ų6668%0.67538%0.384SS*.EExtended strand (participates in β ladder)trans-103.7139.7159.5-57.7175.96284.53.3107.1V228 V229 K231R215-V228 CarbonylContact O-C 3.56Å; R215-V228 WeakPolarHBondContact O-CA 3.22Å; R215-V229 HydrophobicContact CB-CB 4.34Å; R215-V229 PolarHBondContact N-O 3.24Å; R215-V229 PolarHBondContact O-N 3.01Å; R215-K231 HydrophobicContact CG-CG 4.32Å
216V98.6Very high96.7Very high68 Ų6864.7 Ų64.741%0.41238%0.377SS..EExtended strand (participates in β ladder)trans-130.4146.7-176.762.10000111.7I208 T226 I227 V228I208-V216 HydrophobicContact CG2-CB 4.01Å; I208-V216 HydrophobicContact CG2-CG2 3.58Å; V216-T226 HydrophobicContact CG2-CG2 3.76Å; V216-I227 CarbonylContact C-O 3.59Å; V216-I227 WeakPolarHBondContact CA-O 3.19Å; V216-V228 HydrophobicContact CG2-CG2 4.38Å
217S98.5Very high96.8Very high67 Ų6762.5 Ų62.547%0.46936%0.356SS..EExtended strand (participates in β ladder)trans-137.1122.9164.8-65.10000109T226 I227S217-T226 WeakPolarHBondContact O-CA 3.27Å; S217-I227 PolarHBondContact N-O 2.66Å; S217-I227 PolarHBondContact O-N 3.15Å
218L97.9Very high96.8Very high86 Ų8659.7 Ų59.745%0.4534%0.341SS..EExtended strand (participates in β ladder)trans-101.1117.9171.6-169.5162.4000108.1V182 L183V182-L218 HydrophobicContact CG2-CD1 3.95Å; V182-L218 HydrophobicContact CG2-CD2 4.28Å; V182-L218 HydrophobicContact CG2-CG 3.86Å; L183-L218 HydrophobicContact CD2-CD2 4.05Å; L183-L218 HydrophobicContact CG-CD2 4.4Å
219L96.6Very high96.8Very high64 Ų6461.7 Ų61.734%0.33535%0.353SS..EExtended strand (participates in β ladder)trans-106.1136.7-173.8-56.8179.1000110.6L61 T221 L225 I227L61-L219 HydrophobicContact CD2-CD1 4.17Å; L219-T221 HydrophobicContact CB-CG2 3.89Å; L219-T221 PolarHBondContact O-N 2.92Å; L219-L225 PolarHBondContact N-O 3.08Å; L219-L225 PolarHBondContact O-N 3.39Å; L219-L225 VanDerWaalsContact O-N 3.1Å; L219-I227 HydrophobicContact CD1-CD1 3.81Å
220R91.7Very high96.8Very high224 Ų22459 Ų5985%0.84533%0.327SS*.  trans-83.766.2169.8-167.5-173.3177.1-174.30.3110.3L183L183-R220 HydrophobicContact CD1-CG 4.43Å
221T90.9Very high96.8Very high36 Ų3663.4 Ų63.422%0.22133%0.331CS..SBendtrans-117.8153.5166.1173.10000108.1E58 L219 D223 G224 L225E58-T221 HydrophobicContact CG-CG2 3.75Å; E58-T221 WeakPolarHBondContact CG-OG1 3.43Å; E58-T221 WeakPolarHBondContact OE1-CB 3.49Å; E58-T221 VanDerWaalsContact OE1-CG2 3.24Å; E58-T221 WeakPolarHBondContact OE1-CG2 3.34Å; E58-T221 VanDerWaalsContact OE1-O 3.05Å; E58-T221 PolarHBondContact OE1-OG1 2.88Å; L219-T221 HydrophobicContact CB-CG2 3.89Å; L219-T221 PolarHBondContact O-N 2.92Å; T221-D223 PolarHBondContact O-N 3.04Å; T221-G224 VanDerWaalsContact O-CA 3.25Å; T221-G224 WeakPolarHBondContact O-CA 3.35Å; T221-G224 PolarHBondContact O-N 3.24Å; T221-L225 HydrophobicContact CG2-CB 3.64Å; T221-L225 HydrophobicContact CG2-CD2 4.15Å
222G89.4Confident96.7Very high61 Ų6164.8 Ų64.863%0.62934%0.337SS*.THydrogen-bonded Turntrans49.6-127.1179.400000112.4E58 G224E58-G222 WeakPolarHBondContact OE1-CA 3.48Å; E58-G222 PolarHBondContact OE1-N 3.06Å; G222-G224 VanDerWaalsContact C-N 3.33Å
223D93.2Very high96.7Very high39 Ų3960.9 Ų60.921%0.20932%0.316CS..THydrogen-bonded Turntrans-9925.1172.3-158.829.7000113.3N181 V182 L183 R184 R185 T221N181-D223 CarbonylContact C-O 3.54Å; N181-D223 VanDerWaalsContact CA-O 3.29Å; N181-D223 WeakPolarHBondContact CA-O 3.32Å; N181-D223 HydrophobicContact CB-CB 4.26Å; V182-D223 PolarHBondContact N-O 2.97Å; L183-D223 WeakPolarHBondContact CA-O 3.28Å; L183-D223 VanDerWaalsContact CB-O 3.3Å; L183-D223 WeakPolarHBondContact CB-O 3.32Å; L183-D223 PolarHBondContact N-O 3.49Å; R184-D223 VanDerWaalsContact CA-OD2 3.28Å; R184-D223 WeakPolarHBondContact CA-OD2 3.31Å; R185-D223 WeakPolarHBondContact CA-OD1 3.36Å; R185-D223 PolarHBondContact N-OD1 3.4Å; R185-D223 PolarHBondContact N-OD2 3.3Å; T221-D223 PolarHBondContact O-N 3.04Å
224G96.2Very high96.7Very high0 Ų059.8 Ų59.80%030%0.303CS..  trans96.8126.9-176.500000112.1D180 N181 V182 T221 G222D180-G224 CarbonylContact C-O 3.57Å; N181-G224 WeakPolarHBondContact CA-O 3.49Å; N181-G224 PolarHBondContact N-O 3.02Å; V182-G224 PolarHBondContact N-O 3.25Å; T221-G224 VanDerWaalsContact O-CA 3.25Å; T221-G224 WeakPolarHBondContact O-CA 3.35Å; T221-G224 PolarHBondContact O-N 3.24Å; G222-G224 VanDerWaalsContact C-N 3.33Å
225L98.1Very high96.5Very high0 Ų062.8 Ų62.80%032%0.318CS..EExtended strand (participates in β ladder)trans-121.7120.2175.2179.867.6000110E58 L61 L62 A178 L219 T221 I227E58-L225 HydrophobicContact CB-CD2 4.46Å; E58-L225 HydrophobicContact CG-CD2 4.3Å; L61-L225 HydrophobicContact CD2-CD2 4.22Å; L62-L225 HydrophobicContact CD1-CD1 4.3Å; L62-L225 HydrophobicContact CD2-CD2 4.13Å; L62-L225 HydrophobicContact CG-CD2 4.44Å; A178-L225 HydrophobicContact CB-CD1 4.41Å; L219-L225 PolarHBondContact N-O 3.08Å; L219-L225 PolarHBondContact O-N 3.39Å; L219-L225 VanDerWaalsContact O-N 3.1Å; T221-L225 HydrophobicContact CG2-CB 3.64Å; T221-L225 HydrophobicContact CG2-CD2 4.15Å; L225-I227 HydrophobicContact CD2-CD1 4.29Å; L225-I227 HydrophobicContact CD2-CG1 4.27Å; L225-I227 HydrophobicContact CG-CG1 4.23Å
226T98.7Very high96.4Very high2 Ų255.5 Ų55.51%0.01230%0.295CS..EExtended strand (participates in β ladder)trans-95.6127.3168.7-730000109.5A178 I179 V182 I208 V216 S217 V228A178-T226 WeakPolarHBondContact CA-O 3.4Å; I179-T226 PolarHBondContact N-O 3.09Å; I179-T226 PolarHBondContact O-N 2.76Å; V182-T226 WeakPolarHBondContact CG2-OG1 3.47Å; I208-T226 HydrophobicContact CD1-CG2 4.25Å; I208-T226 HydrophobicContact CG2-CG2 4.49Å; V216-T226 HydrophobicContact CG2-CG2 3.76Å; S217-T226 WeakPolarHBondContact O-CA 3.27Å; T226-V228 HydrophobicContact CG2-CG2 3.72Å
227I98.8Very high96.3Very high23 Ų2354.7 Ų54.712%0.11829%0.288CS..EExtended strand (participates in β ladder)trans-109.6119.6170.4-58.8174.9000107.8L61 L65 I176 V216 S217 L219 L225L61-I227 HydrophobicContact CD2-CD1 4.19Å; L65-I227 HydrophobicContact CD1-CD1 3.85Å; L65-I227 HydrophobicContact CD1-CG2 4.44Å; I176-I227 HydrophobicContact CG2-CG2 3.96Å; V216-I227 CarbonylContact C-O 3.59Å; V216-I227 WeakPolarHBondContact CA-O 3.19Å; S217-I227 PolarHBondContact N-O 2.66Å; S217-I227 PolarHBondContact O-N 3.15Å; L219-I227 HydrophobicContact CD1-CD1 3.81Å; L225-I227 HydrophobicContact CD2-CD1 4.29Å; L225-I227 HydrophobicContact CD2-CG1 4.27Å; L225-I227 HydrophobicContact CG-CG1 4.23Å
228V98.8Very high96.1Very high0 Ų053.8 Ų53.80%028%0.275CS..EExtended strand (participates in β ladder)trans-109.5134.2175.2-174.40000108.8Y164 I176 I177 I208 V214 R215 V216 T226Y164-V228 HydrophobicContact CE2-CG1 4.17Å; Y164-V228 HydrophobicContact CE2-CG2 4.12Å; I176-V228 CarbonylContact C-O 3.55Å; I176-V228 VanDerWaalsContact CA-O 3.29Å; I176-V228 WeakPolarHBondContact CA-O 3.25Å; I177-V228 HydrophobicContact CB-CB 4.21Å; I177-V228 PolarHBondContact N-O 2.66Å; I177-V228 PolarHBondContact O-N 2.71Å; I208-V228 HydrophobicContact CD1-CG2 4.31Å; I208-V228 HydrophobicContact CG2-CG2 3.89Å; V214-V228 HydrophobicContact CB-CG1 3.42Å; V214-V228 VanDerWaalsContact CB-CG1 3.42Å; V214-V228 HydrophobicContact CG1-CG1 3.59Å; V214-V228 HydrophobicContact CG2-CG1 3.69Å; R215-V228 CarbonylContact O-C 3.56Å; R215-V228 WeakPolarHBondContact O-CA 3.22Å; V216-V228 HydrophobicContact CG2-CG2 4.38Å; T226-V228 HydrophobicContact CG2-CG2 3.72Å
229V98.8Very high96Very high46 Ų4651.3 Ų51.328%0.27926%0.261SS..EExtended strand (participates in β ladder)trans-116118.3170-172.70000107.9G175 I176 V214 R215 K231G175-V229 WeakPolarHBondContact O-CA 3.21Å; I176-V229 HydrophobicContact CG1-CG2 4.31Å; V214-V229 CarbonylContact C-O 3.59Å; V214-V229 WeakPolarHBondContact CA-O 3.24Å; R215-V229 HydrophobicContact CB-CB 4.34Å; R215-V229 PolarHBondContact N-O 3.24Å; R215-V229 PolarHBondContact O-N 3.01Å; V229-K231 PolarHBondContact O-N 3.16Å
230K98.7Very high95.9Very high27 Ų2750.3 Ų50.312%0.11726%0.255CS..EExtended strand (participates in β ladder)trans-65.3132.4175.6-176.2171.2172.1178.20109.6E146 L168 V171 R174 G175E146-K230 VanDerWaalsContact OE1-CE 3.3Å; E146-K230 WeakPolarHBondContact OE1-CE 3.38Å; E146-K230 IonicContact OE1-NZ 3.98Å; E146-K230 PolarHBondContact OE1-NZ 3.48Å; L168-K230 HydrophobicContact CD1-CB 4.29Å; L168-K230 HydrophobicContact CD1-CD 4.12Å; L168-K230 HydrophobicContact CD1-CG 4.17Å; L168-K230 PolarHBondContact O-NZ 3.25Å; V171-K230 HydrophobicContact CG2-CB 4.33Å; V171-K230 HydrophobicContact CG2-CD 4Å; V171-K230 VanDerWaalsContact O-CD 3.26Å; V171-K230 WeakPolarHBondContact O-CD 3.5Å; V171-K230 PolarHBondContact O-NZ 2.94Å; R174-K230 WeakPolarHBondContact CA-O 3.2Å; R174-K230 PolarHBondContact N-O 3.18Å; G175-K230 PolarHBondContact O-N 3.13Å
231K97.7Very high96.3Very high145 Ų14534.5 Ų34.563%0.6320%0.201SC*.  trans-67.90177.8-71176.2-179.8164.20111.6N212 C213 V214 R215 V229N212-K231 WeakPolarHBondContact O-CD 3.29Å; N212-K231 PolarHBondContact O-NZ 2.96Å; C213-K231 VanDerWaalsContact O-CB 3.27Å; C213-K231 WeakPolarHBondContact O-CB 3.42Å; C213-K231 WeakPolarHBondContact O-CG 3.18Å; C213-K231 PolarHBondContact O-N 2.84Å; V214-K231 WeakPolarHBondContact O-CE 3.32Å; V214-K231 PolarHBondContact O-NZ 3.21Å; R215-K231 HydrophobicContact CG-CG 4.32Å; V229-K231 PolarHBondContact O-N 3.16Å

Retrieved 231 of 231 residues in 87.1 ms (Link to these results)

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