A0A087YMU5_POEFO Loading...

Small RNA 2'-O-methyltransferase

AlphaFold DB , UniProt , Accession A0A087YMU5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 339 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
1M50.7Low84.5Confident243 Ų24397.6 Ų97.6100%1.19755%0.55SS*.  0120.50-141.7170.5-16300106.6
2Q64.6Low84.8Confident203 Ų20397.7 Ų97.795%0.94955%0.547SS*.  trans-95.3134.1170-68.5177.10.400107.1
3G83.9Confident85.2Confident62 Ų62101.8 Ų101.864%0.63956%0.559SS**  trans-157.3160.3-177.600000110.7A5G3-A5 PolarHBondContact O-N 2.77Å
4L90.6Very high85.7Confident73 Ų7395.4 Ų95.438%0.38253%0.525SS..SBendtrans-78.3-7.9-179.6-58.3178.5000113.3I21 L23 Y165 V167 Y169L4-I21 HydrophobicContact CD1-CG2 4.4Å; L4-I21 HydrophobicContact CD2-CG2 4.36Å; L4-L23 HydrophobicContact CD1-CB 4.06Å; L4-L23 HydrophobicContact CD1-CD2 4.14Å; L4-Y165 HydrophobicContact CB-CD1 3.96Å; L4-Y165 HydrophobicContact CB-CE1 3.56Å; L4-Y165 HydrophobicContact CD1-CD1 3.97Å; L4-Y165 HydrophobicContact CD1-CE1 4.43Å; L4-V167 WeakPolarHBondContact O-CG1 3.4Å; L4-Y169 PolarHBondContact O-OH 3.36Å
5A92.6Very high86.1Confident49 Ų4994.7 Ų94.741%0.40553%0.525SS..SBendtrans-78141.817800000111G3 Y165G3-A5 PolarHBondContact O-N 2.77Å; A5-Y165 WeakPolarHBondContact CA-OH 3.28Å; A5-Y165 WeakPolarHBondContact CB-OH 3.49Å
6P92.9Very high86.4Confident18 Ų1894.8 Ų94.812%0.11752%0.515CS..PPolyproline II helixtrans-56.8138.7174.6-21.929.6000112.4D10 Y11 V167 Y169P6-D10 WeakPolarHBondContact CA-OD2 3.34Å; P6-D10 HydrophobicContact CB-CB 4.09Å; P6-Y11 HydrophobicContact CB-CE2 3.78Å; P6-V167 HydrophobicContact CG-CG2 4.14Å; P6-Y169 HydrophobicContact CB-CD1 3.92Å; P6-Y169 HydrophobicContact CB-CE1 3.87Å; P6-Y169 HydrophobicContact CB-CG 4.37Å; P6-Y169 HydrophobicContact CG-CD1 3.87Å; P6-Y169 HydrophobicContact CG-CD2 3.86Å; P6-Y169 HydrophobicContact CG-CE1 3.95Å; P6-Y169 HydrophobicContact CG-CE2 3.91Å; P6-Y169 HydrophobicContact CG-CG 3.83Å
7L91.7Very high86.8Confident107 Ų10795.5 Ų95.556%0.5652%0.519SS*.PPolyproline II helixtrans-76.6160.7174.3-60179.6000110.6T9 D10 Y11L7-T9 WeakPolarHBondContact CB-OG1 3.14Å; L7-T9 PolarHBondContact O-N 2.72Å; L7-T9 VanDerWaalsContact O-N 3.12Å; L7-D10 PolarHBondContact N-OD2 3.05Å; L7-D10 WeakPolarHBondContact O-CB 3.13Å; L7-D10 PolarHBondContact O-N 3.12Å; L7-Y11 WeakPolarHBondContact O-CD2 3.33Å
8S90.1Very high87Confident99 Ų9997.5 Ų97.569%0.69252%0.524SS*.Hα-helixtrans-55.1-31.7174.9-53.30000113D10 Y11 L12S8-D10 VanDerWaalsContact C-N 3.32Å; S8-D10 PolarHBondContact O-N 3.43Å; S8-Y11 PolarHBondContact O-N 2.97Å; S8-L12 WeakPolarHBondContact O-CG 3.28Å; S8-L12 PolarHBondContact O-N 3.43Å
9T90Very high87.4Confident81 Ų8196.8 Ų96.850%0.49752%0.519SS..Hα-helixtrans-62.3-36.9174.844.50000112.8L7 Y11 L12 Q13L7-T9 WeakPolarHBondContact CB-OG1 3.14Å; L7-T9 PolarHBondContact O-N 2.72Å; L7-T9 VanDerWaalsContact O-N 3.12Å; T9-Y11 VanDerWaalsContact C-N 3.26Å; T9-Y11 PolarHBondContact O-N 2.96Å; T9-L12 PolarHBondContact O-N 2.84Å; T9-Q13 PolarHBondContact O-N 2.86Å
10D92.3Very high87.8Confident44 Ų4496.3 Ų96.324%0.23551%0.514CS..Hα-helixtrans-67.7-31.6-177.6-52.4-24.9000110.5P6 L7 S8 Q13 P14 Y169 P170P6-D10 WeakPolarHBondContact CA-OD2 3.34Å; P6-D10 HydrophobicContact CB-CB 4.09Å; L7-D10 PolarHBondContact N-OD2 3.05Å; L7-D10 WeakPolarHBondContact O-CB 3.13Å; L7-D10 PolarHBondContact O-N 3.12Å; S8-D10 VanDerWaalsContact C-N 3.32Å; S8-D10 PolarHBondContact O-N 3.43Å; D10-Q13 CarbonylContact O-C 3.57Å; D10-P14 VanDerWaalsContact O-CA 3.25Å; D10-P14 WeakPolarHBondContact O-CA 3.48Å; D10-P14 WeakPolarHBondContact O-CB 3.45Å; D10-P14 VanDerWaalsContact O-CD 3.3Å; D10-P14 WeakPolarHBondContact O-CD 3.41Å; D10-Y169 HydrophobicContact CB-CD1 4.38Å; D10-Y169 WeakPolarHBondContact OD2-CE1 3.34Å; D10-P170 VanDerWaalsContact C-CG 3.48Å; D10-P170 HydrophobicContact CB-CG 4.02Å; D10-P170 VanDerWaalsContact O-CG 3.23Å; D10-P170 WeakPolarHBondContact O-CG 3.33Å
11Y90.2Very high88.2Confident95 Ų9593.6 Ų93.637%0.37350%0.499SS..Hα-helixtrans-76.9-18.7173.7-66.2-80.8000114.3P6 L7 S8 T9 P170P6-Y11 HydrophobicContact CB-CE2 3.78Å; L7-Y11 WeakPolarHBondContact O-CD2 3.33Å; S8-Y11 PolarHBondContact O-N 2.97Å; T9-Y11 VanDerWaalsContact C-N 3.26Å; T9-Y11 PolarHBondContact O-N 2.96Å; Y11-P170 HydrophobicContact CD1-CB 3.67Å; Y11-P170 HydrophobicContact CD1-CG 3.68Å; Y11-P170 HydrophobicContact CD2-CG 4.5Å; Y11-P170 HydrophobicContact CE1-CB 3.96Å; Y11-P170 HydrophobicContact CE1-CG 3.92Å; Y11-P170 HydrophobicContact CG-CB 4.39Å; Y11-P170 HydrophobicContact CG-CG 4Å
12L88.1Confident90.4Very high98 Ų9884.8 Ų84.851%0.51346%0.456SS..Hα-helixtrans-94.3-29.5178.2-65.9171.9000112.2S8 T9 K267S8-L12 WeakPolarHBondContact O-CG 3.28Å; S8-L12 PolarHBondContact O-N 3.43Å; T9-L12 PolarHBondContact O-N 2.84Å; L12-K267 PolarHBondContact O-NZ 2.91Å; L12-K267 VanDerWaalsContact O-NZ 3.15Å
13Q89.6Confident92Very high152 Ų15279 Ų7971%0.7143%0.432SS*.SBendtrans-131.953.6-179.8-55.4-173.79.200111.8T9 D10T9-Q13 PolarHBondContact O-N 2.86Å; D10-Q13 CarbonylContact O-C 3.57Å
14P92.7Very high92.7Very high12 Ų1278.7 Ų78.78%0.07841%0.412CS..  trans-67.1151.3176.827.6-32.6000111D10 P170 L172 T177 V181D10-P14 VanDerWaalsContact O-CA 3.25Å; D10-P14 WeakPolarHBondContact O-CA 3.48Å; D10-P14 WeakPolarHBondContact O-CB 3.45Å; D10-P14 VanDerWaalsContact O-CD 3.3Å; D10-P14 WeakPolarHBondContact O-CD 3.41Å; P14-P170 HydrophobicContact CB-CB 4.09Å; P14-P170 HydrophobicContact CB-CG 4.35Å; P14-P170 VanDerWaalsContact CB-O 3.24Å; P14-P170 WeakPolarHBondContact CB-O 3.24Å; P14-L172 HydrophobicContact CB-CG 4.47Å; P14-L172 HydrophobicContact CG-CD2 3.8Å; P14-L172 HydrophobicContact CG-CG 4.02Å; P14-L172 WeakPolarHBondContact O-CD1 3.38Å; P14-L172 WeakPolarHBondContact O-CG 3.23Å; P14-T177 HydrophobicContact CB-CG2 4.1Å; P14-T177 HydrophobicContact CG-CG2 3.71Å; P14-V181 HydrophobicContact CG-CG2 3.66Å
15T91.8Very high93.1Very high85 Ų8581.7 Ų81.752%0.52142%0.424SS..BIsolated β-bridgetrans-91.2171176.266.60000111.2D17 T171 L172T15-D17 PolarHBondContact OG1-N 3.06Å; T15-D17 PolarHBondContact OG1-O 3.19Å; T15-T171 CarbonylContact O-C 3.59Å; T15-T171 VanDerWaalsContact O-CA 3.31Å; T15-T171 WeakPolarHBondContact O-CA 3.33Å; T15-T171 PolarHBondContact O-OG1 2.78Å; T15-T171 VanDerWaalsContact O-OG1 3.08Å; T15-L172 PolarHBondContact O-N 3.25Å
16Y90.8Very high93.3Very high96 Ų9681.6 Ų81.638%0.37643%0.427SS..SBendtrans-77.6-9169.3-74.4-78.7000113.4L172 R173Y16-L172 HydrophobicContact CD1-CB 3.61Å; Y16-L172 HydrophobicContact CD2-CD1 4.04Å; Y16-L172 HydrophobicContact CE1-CB 3.55Å; Y16-L172 HydrophobicContact CE1-CD1 4.17Å; Y16-L172 HydrophobicContact CE2-CB 4.48Å; Y16-L172 HydrophobicContact CE2-CD1 3.67Å; Y16-L172 HydrophobicContact CG-CB 4.12Å; Y16-L172 HydrophobicContact CG-CD1 4.44Å; Y16-R173 WeakPolarHBondContact O-CD 3.4Å; Y16-R173 WeakPolarHBondContact O-CG 3.35Å; Y16-R173 PolarHBondContact O-NE 2.94Å; Y16-R173 PolarHBondContact O-NH2 2.68Å
17D92.4Very high93.5Very high107 Ų10782.7 Ų82.757%0.57244%0.436SS*.SBendtrans-91.5145.9178.9-63-45.4000110T15 T171 R173T15-D17 PolarHBondContact OG1-N 3.06Å; T15-D17 PolarHBondContact OG1-O 3.19Å; D17-T171 PolarHBondContact O-OG1 3.17Å; D17-R173 IonicContact OD1-NH2 3.89Å; D17-R173 PolarHBondContact OD1-NH2 2.91Å
18Q91.8Very high93.8Very high131 Ų13179.4 Ų79.461%0.61242%0.42SS*.  trans-91.9115.6178-176.5175.91.200108.7N168Q18-N168 PolarHBondContact NE2-OD1 2.88Å
19L94.6Very high94.2Very high84 Ų8476.2 Ų76.244%0.4440%0.396SS..  trans-98125.5167.4174.262.2000109.3I21 Y169L19-I21 HydrophobicContact CD1-CG1 4.11Å; L19-I21 HydrophobicContact CD2-CD1 4.35Å; L19-I21 HydrophobicContact CG-CD1 4.5Å; L19-I21 HydrophobicContact CG-CG1 4.15Å; L19-Y169 HydrophobicContact CB-CD2 4.31Å; L19-Y169 HydrophobicContact CB-CG 4.11Å; L19-Y169 HydrophobicContact CD2-CD1 3.99Å; L19-Y169 HydrophobicContact CD2-CD2 3.84Å; L19-Y169 HydrophobicContact CD2-CE1 4.14Å; L19-Y169 HydrophobicContact CD2-CE2 4.02Å; L19-Y169 HydrophobicContact CD2-CG 3.85Å; L19-Y169 HydrophobicContact CG-CD2 3.85Å; L19-Y169 HydrophobicContact CG-CE2 4.34Å; L19-Y169 HydrophobicContact CG-CG 4.05Å; L19-Y169 PolarHBondContact O-N 2.73Å
20H95Very high94.5Very high87 Ų8776.5 Ų76.540%0.40339%0.392SS..EExtended strand (participates in β ladder)trans-120.2134.2173-175.970.2000108.1D22 S166 V167 N168H20-D22 IonicContact CE1-OD1 2.69Å; H20-D22 IonicContact NE2-OD1 2.63Å; H20-D22 PolarHBondContact NE2-OD1 3.08Å; H20-D22 IonicContact NE2-OD2 3.68Å; H20-S166 PolarHBondContact CE1-OG 2.89Å; H20-V167 WeakPolarHBondContact CA-O 3.4Å; H20-V167 PolarHBondContact ND1-O 3.37Å; H20-N168 PolarHBondContact ND1-OD1 2.87Å
21I96.6Very high94.8Very high40 Ų4079.3 Ų79.321%0.20540%0.399CS..EExtended strand (participates in β ladder)trans-126.5119.3178-54.5-173.1000108.6L4 L19 S166 V167 Y169L4-I21 HydrophobicContact CD1-CG2 4.4Å; L4-I21 HydrophobicContact CD2-CG2 4.36Å; L19-I21 HydrophobicContact CD1-CG1 4.11Å; L19-I21 HydrophobicContact CD2-CD1 4.35Å; L19-I21 HydrophobicContact CG-CD1 4.5Å; L19-I21 HydrophobicContact CG-CG1 4.15Å; I21-S166 CarbonylContact O-C 3.5Å; I21-S166 WeakPolarHBondContact O-CA 3.31Å; I21-V167 HydrophobicContact CB-CG1 4Å; I21-V167 PolarHBondContact N-O 3.16Å; I21-V167 PolarHBondContact O-N 3.44Å; I21-Y169 HydrophobicContact CD1-CD2 4.38Å; I21-Y169 HydrophobicContact CD1-CE2 3.49Å; I21-Y169 VanDerWaalsContact CD1-CE2 3.49Å; I21-Y169 HydrophobicContact CG1-CD2 4.42Å; I21-Y169 HydrophobicContact CG1-CE2 3.95Å
22D97.3Very high95.1Very high57 Ų5774.9 Ų74.931%0.30538%0.382SS..EExtended strand (participates in β ladder)trans-107.9141.3167-82.7-18.3000110.2H20 Y24 L163 Y165 S166H20-D22 IonicContact CE1-OD1 2.69Å; H20-D22 IonicContact NE2-OD1 2.63Å; H20-D22 PolarHBondContact NE2-OD1 3.08Å; H20-D22 IonicContact NE2-OD2 3.68Å; D22-Y24 HydrophobicContact CB-CD2 4.01Å; D22-Y24 HydrophobicContact CB-CE2 3.34Å; D22-Y24 PolarHBondContact OD2-OH 3.07Å; D22-L163 HydrophobicContact CB-CD1 3.9Å; D22-Y165 CarbonylContact C-O 3.55Å; D22-Y165 WeakPolarHBondContact CA-O 3.3Å; D22-S166 WeakPolarHBondContact OD1-CB 3.42Å; D22-S166 PolarHBondContact OD1-OG 3.3Å
23L97.6Very high95.4Very high82 Ų8270.8 Ų70.843%0.42936%0.362SS..EExtended strand (participates in β ladder)trans-114.8124.2167.3-179.165.2000109.2L4 V164 Y165L4-L23 HydrophobicContact CD1-CB 4.06Å; L4-L23 HydrophobicContact CD1-CD2 4.14Å; L23-V164 HydrophobicContact CD2-CG1 4.44Å; L23-V164 HydrophobicContact CG-CB 4.48Å; L23-V164 PolarHBondContact O-N 3.25Å; L23-Y165 PolarHBondContact N-O 3.39Å; L23-Y165 PolarHBondContact O-N 3.47Å
24Y98.1Very high95.7Very high56 Ų5667.6 Ų67.622%0.2234%0.343CS..EExtended strand (participates in β ladder)trans-113.9141.2-179.8-69.9-80.3000112.1D22 Y161 T162 L163D22-Y24 HydrophobicContact CB-CD2 4.01Å; D22-Y24 HydrophobicContact CB-CE2 3.34Å; D22-Y24 PolarHBondContact OD2-OH 3.07Å; Y24-Y161 HydrophobicContact CG-CD2 4.21Å; Y24-T162 CarbonylContact C-O 3.57Å; Y24-T162 WeakPolarHBondContact CA-O 3.26Å; Y24-L163 HydrophobicContact CD1-CB 4.15Å; Y24-L163 HydrophobicContact CD1-CD1 4.12Å; Y24-L163 HydrophobicContact CE1-CB 3.8Å; Y24-L163 HydrophobicContact CE1-CD1 3.63Å; Y24-L163 HydrophobicContact CE1-CG 4.29Å; Y24-L163 HydrophobicContact CE2-CD1 4.28Å
25Q98.5Very high95.8Very high136 Ų13668.3 Ų68.364%0.63635%0.347SS*.EExtended strand (participates in β ladder)trans-95.8120.1163.6179.1-178-3.200108.8Y161 T162 V164Q25-Y161 WeakPolarHBondContact O-CA 3.31Å; Q25-T162 PolarHBondContact N-O 3.42Å; Q25-T162 PolarHBondContact O-N 3.4Å; Q25-V164 HydrophobicContact CB-CG2 3.66Å
26G97.6Very high95.9Very high46 Ų4666.8 Ų66.847%0.47433%0.331SS..  trans-173-177.3-178.700000111.9
27S97.8Very high95.8Very high42 Ų4265.4 Ų65.429%0.29435%0.346SS..  trans-116.8135.4175.1178.40000111T29 Q30 Y161S27-T29 PolarHBondContact O-N 3.32Å; S27-T29 PolarHBondContact OG-N 2.82Å; S27-T29 PolarHBondContact OG-OG1 3.1Å; S27-Q30 WeakPolarHBondContact O-CB 3.32Å; S27-Q30 PolarHBondContact O-N 3.36Å; S27-Y161 VanDerWaalsContact C-OH 3.31Å; S27-Y161 WeakPolarHBondContact O-CE1 3.2Å; S27-Y161 PolarHBondContact O-OH 3.28Å
28V97.8Very high95.9Very high38 Ų3865.3 Ų65.323%0.2334%0.341CS..THydrogen-bonded Turntrans-63.3-8.6175-61.60000114.5L46 L50 F58V28-L46 HydrophobicContact CG1-CD2 4.04Å; V28-L46 HydrophobicContact CG2-CD2 4.2Å; V28-L50 HydrophobicContact CG2-CD1 4.36Å; V28-L50 HydrophobicContact CG2-CD2 4.21Å; V28-F58 HydrophobicContact CB-CD2 3.96Å; V28-F58 HydrophobicContact CB-CE2 4.46Å; V28-F58 HydrophobicContact CG2-CD2 3.76Å; V28-F58 HydrophobicContact CG2-CE2 4.43Å
29T97.8Very high96.2Very high31 Ų3165.4 Ų65.419%0.1935%0.345CS..THydrogen-bonded Turntrans-87-3.317060.50000113.6S27 D54 L57S27-T29 PolarHBondContact O-N 3.32Å; S27-T29 PolarHBondContact OG-N 2.82Å; S27-T29 PolarHBondContact OG-OG1 3.1Å; T29-D54 HydrophobicContact CG2-CB 3.84Å; T29-D54 WeakPolarHBondContact CG2-O 3.21Å; T29-L57 HydrophobicContact CG2-CB 4.14Å
30Q97.5Very high96.4Very high88 Ų8865.5 Ų65.541%0.41135%0.346SS..SBendtrans-110144.1-179.8-65.6173.9-28.600111.2S27 V61 Y161S27-Q30 WeakPolarHBondContact O-CB 3.32Å; S27-Q30 PolarHBondContact O-N 3.36Å; Q30-V61 WeakPolarHBondContact O-CG1 3.5Å; Q30-Y161 HydrophobicContact CB-CE1 4.26Å
31R96.8Very high96.5Very high103 Ų10362.2 Ų62.239%0.38933%0.332SS..  trans-79.2137.6175.2-65.3178.2-179.9-152.9-7.8110.6V61 Y65 E155 S160R31-V61 HydrophobicContact CG-CG2 4.17Å; R31-Y65 HydrophobicContact CB-CD1 3.93Å; R31-Y65 HydrophobicContact CB-CE1 3.68Å; R31-Y65 HydrophobicContact CB-CE2 4.39Å; R31-Y65 HydrophobicContact CB-CG 4.38Å; R31-Y65 HydrophobicContact CG-CD1 3.83Å; R31-Y65 HydrophobicContact CG-CD2 4.19Å; R31-Y65 HydrophobicContact CG-CE1 4.1Å; R31-Y65 HydrophobicContact CG-CE2 4.42Å; R31-Y65 HydrophobicContact CG-CG 3.88Å; R31-E155 IonicContact CZ-OE2 3.19Å; R31-E155 IonicContact NH1-OE2 2.69Å; R31-E155 PolarHBondContact NH1-OE2 3.47Å; R31-E155 IonicContact NH2-OE2 2.89Å; R31-S160 WeakPolarHBondContact O-CB 3.37Å; R31-S160 PolarHBondContact O-OG 3.05Å
32D97Very high96.6Very high2 Ų264.2 Ų64.21%0.01135%0.346CS..BIsolated β-bridgetrans-136.8122166.6-160.2-71.6000110.8R34 L35 V158 F159 S160 Y161D32-R34 PolarHBondContact O-N 3.42Å; D32-R34 VanDerWaalsContact OD1-CB 3.31Å; D32-R34 WeakPolarHBondContact OD1-CB 3.43Å; D32-R34 IonicContact OD1-CZ 3.19Å; D32-R34 PolarHBondContact OD1-N 3.23Å; D32-R34 IonicContact OD1-NE 3.44Å; D32-R34 PolarHBondContact OD1-NE 3.35Å; D32-R34 IonicContact OD1-NH2 3.78Å; D32-R34 PolarHBondContact OD1-NH2 3.18Å; D32-R34 IonicContact OD2-CZ 2.72Å; D32-R34 IonicContact OD2-NE 3.7Å; D32-R34 IonicContact OD2-NH2 3.88Å; D32-R34 PolarHBondContact OD2-NH2 2.87Å; D32-L35 HydrophobicContact CB-CD1 4.13Å; D32-L35 HydrophobicContact CB-CG 4.15Å; D32-L35 PolarHBondContact O-N 2.8Å; D32-V158 CarbonylContact C-O 3.42Å; D32-V158 VanDerWaalsContact CA-O 3.31Å; D32-V158 WeakPolarHBondContact CA-O 3.49Å; D32-F159 WeakPolarHBondContact OD2-CA 3.44Å; D32-S160 PolarHBondContact OD2-N 2.82Å; D32-Y161 HydrophobicContact CB-CD1 4.05Å; D32-Y161 HydrophobicContact CB-CE1 4.34Å; D32-Y161 HydrophobicContact CB-CG 4.16Å; D32-Y161 WeakPolarHBondContact OD2-CB 3.45Å; D32-Y161 PolarHBondContact OD2-N 3.37Å
33A95.3Very high96.7Very high11 Ų1162 Ų629%0.09133%0.334CS..G310 helixtrans-61.1-24.5-175.900000113.6L35 R36 Y65 E157 V158 F159A33-L35 PolarHBondContact O-N 3.16Å; A33-R36 PolarHBondContact O-NE 2.85Å; A33-Y65 VanDerWaalsContact CA-OH 3.3Å; A33-Y65 WeakPolarHBondContact CA-OH 3.2Å; A33-Y65 PolarHBondContact N-OH 3.38Å; A33-E157 HydrophobicContact CB-CB 3.96Å; A33-E157 HydrophobicContact CB-CG 4.26Å; A33-V158 PolarHBondContact N-O 3.21Å; A33-F159 HydrophobicContact CB-CD1 4.35Å; A33-F159 HydrophobicContact CB-CE1 3.84Å; A33-F159 HydrophobicContact CB-CZ 3.96Å
34R95.9Very high96.8Very high85 Ų8563 Ų6332%0.32134%0.339SS..G310 helixtrans-70.2-17.4176.1-65.5167.3-72.8-162.8-4.6113.5D32 F38 F159 Y161D32-R34 PolarHBondContact O-N 3.42Å; D32-R34 VanDerWaalsContact OD1-CB 3.31Å; D32-R34 WeakPolarHBondContact OD1-CB 3.43Å; D32-R34 IonicContact OD1-CZ 3.19Å; D32-R34 PolarHBondContact OD1-N 3.23Å; D32-R34 IonicContact OD1-NE 3.44Å; D32-R34 PolarHBondContact OD1-NE 3.35Å; D32-R34 IonicContact OD1-NH2 3.78Å; D32-R34 PolarHBondContact OD1-NH2 3.18Å; D32-R34 IonicContact OD2-CZ 2.72Å; D32-R34 IonicContact OD2-NE 3.7Å; D32-R34 IonicContact OD2-NH2 3.88Å; D32-R34 PolarHBondContact OD2-NH2 2.87Å; R34-F38 WeakPolarHBondContact O-CE2 3.45Å; R34-F159 HydrophobicContact CG-CD1 4.02Å; R34-F159 HydrophobicContact CG-CE1 3.97Å; R34-Y161 PolarHBondContact NH2-O 2.92Å
35L95Very high96.8Very high28 Ų2863.3 Ų63.315%0.14734%0.342CS..G310 helixtrans-98.17.1-176.2-57.3-177.1000113.7D32 A33 F38 M66 Y161D32-L35 HydrophobicContact CB-CD1 4.13Å; D32-L35 HydrophobicContact CB-CG 4.15Å; D32-L35 PolarHBondContact O-N 2.8Å; A33-L35 PolarHBondContact O-N 3.16Å; L35-F38 HydrophobicContact CD2-CE2 4.38Å; L35-M66 HydrophobicContact CB-CE 3.99Å; L35-M66 HydrophobicContact CB-CG 4.17Å; L35-M66 HydrophobicContact CB-SD 4.25Å; L35-Y161 HydrophobicContact CD1-CD2 3.86Å; L35-Y161 HydrophobicContact CD1-CE2 3.34Å
36R93.1Very high96.8Very high52 Ų5259.2 Ų59.220%0.19633%0.325CS..SBendtrans-80153171.9-64.6-173.7-66168.4-9.8110.9A33 F38 Y65 D152 E157A33-R36 PolarHBondContact O-NE 2.85Å; R36-F38 VanDerWaalsContact C-N 3.33Å; R36-F38 PolarHBondContact O-N 2.71Å; R36-Y65 HydrophobicContact CG-CD1 4.39Å; R36-Y65 HydrophobicContact CG-CE1 3.95Å; R36-D152 IonicContact NH1-OD2 3.67Å; R36-D152 PolarHBondContact NH1-OD2 3.37Å; R36-E157 IonicContact NH2-OE1 3.23Å; R36-E157 PolarHBondContact NH2-OE1 2.69Å
37G88.1Confident96.8Very high67 Ų6757 Ų5769%0.69130%0.302SS*.SBendtrans77.510.9169.200000115.9M66G37-M66 PolarHBondContact N-O 3.1Å
38F95.6Very high96.9Very high105 Ų10555 Ų5546%0.46129%0.288SS..  trans-68.2144.1172.4-84.2-105.3000111.9R34 L35 R36 V41 P68 A69R34-F38 WeakPolarHBondContact O-CE2 3.45Å; L35-F38 HydrophobicContact CD2-CE2 4.38Å; R36-F38 VanDerWaalsContact C-N 3.33Å; R36-F38 PolarHBondContact O-N 2.71Å; F38-V41 HydrophobicContact CB-CG2 4.25Å; F38-P68 HydrophobicContact CB-CB 4.47Å; F38-P68 WeakPolarHBondContact O-CA 3.47Å; F38-P68 WeakPolarHBondContact O-CB 3.38Å; F38-A69 PolarHBondContact O-N 3.33Å
39D97Very high96.9Very high133 Ų13356.1 Ų56.171%0.71129%0.291SS*.SBendtrans-70.9-40.1173.3-63.5-60000111.7A69 S70D39-A69 WeakPolarHBondContact O-CB 3.38Å; D39-A69 PolarHBondContact O-N 2.99Å; D39-S70 PolarHBondContact O-N 2.7Å
40L98.4Very high97Very high86 Ų8655.6 Ų55.645%0.4529%0.286SS..EExtended strand (participates in β ladder)trans-134.9137.5-177176.963.4000111.3T42 S70 I72L40-T42 HydrophobicContact CD1-CG2 4.35Å; L40-T42 HydrophobicContact CD2-CG2 4.16Å; L40-T42 HydrophobicContact CG-CG2 4.13Å; L40-S70 WeakPolarHBondContact CA-O 3.33Å; L40-I72 HydrophobicContact CD1-CD1 4.06Å; L40-I72 HydrophobicContact CD1-CG1 4.05Å
41V98.6Very high97Very high19 Ų1954.2 Ų54.212%0.11528%0.284CS..EExtended strand (participates in β ladder)trans-126.5131.1167.91760000109.2F38 V62 M66 P68 S70 V71 I72F38-V41 HydrophobicContact CB-CG2 4.25Å; V41-V62 HydrophobicContact CG1-CG1 4.33Å; V41-M66 HydrophobicContact CG1-CE 4.09Å; V41-M66 HydrophobicContact CG2-CE 3.73Å; V41-P68 HydrophobicContact CB-CB 4.38Å; V41-P68 HydrophobicContact CB-CG 4.03Å; V41-P68 HydrophobicContact CG2-CB 3.67Å; V41-P68 HydrophobicContact CG2-CG 3.66Å; V41-S70 PolarHBondContact N-O 2.86Å; V41-S70 VanDerWaalsContact N-O 3.1Å; V41-V71 CarbonylContact O-C 3.56Å; V41-V71 WeakPolarHBondContact O-CA 3.41Å; V41-I72 PolarHBondContact O-N 2.79Å
42T98.8Very high97Very high81 Ų8154.1 Ų54.150%0.49729%0.291SS..EExtended strand (participates in β ladder)trans-115.8126.5179.956.40000111L40 I72L40-T42 HydrophobicContact CD1-CG2 4.35Å; L40-T42 HydrophobicContact CD2-CG2 4.16Å; L40-T42 HydrophobicContact CG-CG2 4.13Å; T42-I72 WeakPolarHBondContact CA-O 3.31Å; T42-I72 HydrophobicContact CG2-CB 4.33Å; T42-I72 HydrophobicContact CG2-CD1 4.44Å
43N98.6Very high97Very high11 Ų1158 Ų586%0.05932%0.316CS..EExtended strand (participates in β ladder)trans-122.187.2176.9-60.4-77000107.6L46 F58 I72 V73 S74N43-L46 HydrophobicContact CB-CB 4.43Å; N43-L46 HydrophobicContact CB-CD2 4Å; N43-L46 WeakPolarHBondContact OD1-CD2 3.4Å; N43-F58 HydrophobicContact CB-CE2 4.31Å; N43-F58 HydrophobicContact CB-CZ 4.07Å; N43-F58 WeakPolarHBondContact OD1-CE2 3.47Å; N43-I72 PolarHBondContact N-O 2.94Å; N43-V73 HydrophobicContact CB-CG2 4.39Å; N43-V73 WeakPolarHBondContact O-CA 3.46Å; N43-S74 PolarHBondContact O-N 3.3Å
44I98.7Very high97.2Very high102 Ų10260 Ų6052%0.52333%0.326SS..  trans-99.5119.2-169.8-52.8-54.6000109.1L46 I72 S74I44-L46 PolarHBondContact O-N 3.48Å; I44-I72 HydrophobicContact CD1-CG2 4.08Å; I44-S74 WeakPolarHBondContact CA-OG 3.36Å
45E98.6Very high97.3Very high63 Ų6356.2 Ų56.229%0.29431%0.311SS..SBendtrans44.757.5-175.5-49.8-5889.900111.9E48 S74 T75 S139E45-E48 WeakPolarHBondContact CA-OE1 3.36Å; E45-E48 VanDerWaalsContact CB-OE1 3.26Å; E45-E48 WeakPolarHBondContact CB-OE1 3.38Å; E45-S74 PolarHBondContact N-O 2.97Å; E45-S74 PolarHBondContact N-OG 3.41Å; E45-S74 VanDerWaalsContact OE1-C 3.23Å; E45-S74 WeakPolarHBondContact OE1-CB 3.2Å; E45-S74 PolarHBondContact OE1-OG 3.07Å; E45-T75 WeakPolarHBondContact OE1-CA 3.09Å; E45-T75 PolarHBondContact OE1-N 3.18Å; E45-T75 VanDerWaalsContact OE1-N 3.11Å; E45-S139 PolarHBondContact OE2-OG 2.58Å
46L98.7Very high97.4Very high50 Ų5061.9 Ų61.926%0.26234%0.337SS..  trans-121.3-43.3-172.4178.566.1000113.5V28 N43 I44 E48 H49 F58V28-L46 HydrophobicContact CG1-CD2 4.04Å; V28-L46 HydrophobicContact CG2-CD2 4.2Å; N43-L46 HydrophobicContact CB-CB 4.43Å; N43-L46 HydrophobicContact CB-CD2 4Å; N43-L46 WeakPolarHBondContact OD1-CD2 3.4Å; I44-L46 PolarHBondContact O-N 3.48Å; L46-E48 VanDerWaalsContact C-N 3.29Å; L46-E48 PolarHBondContact N-OE2 3.47Å; L46-E48 PolarHBondContact O-N 3.38Å; L46-H49 WeakPolarHBondContact O-CB 3.44Å; L46-H49 PolarHBondContact O-N 2.82Å; L46-H49 VanDerWaalsContact O-N 3.09Å; L46-F58 HydrophobicContact CD2-CE2 4.25Å
47I98.7Very high97.6Very high0 Ų063.4 Ų63.40%035%0.349CS..G310 helixtrans-68.4-30.5-165.956.5164.5000112.4H49 L50 L55 F58 V73 T75 F97 W99 F104 W107I47-H49 PolarHBondContact O-N 3Å; I47-L50 WeakPolarHBondContact O-CB 3.42Å; I47-L50 PolarHBondContact O-N 3.1Å; I47-L55 HydrophobicContact CB-CD1 3.76Å; I47-L55 HydrophobicContact CG2-CD1 3.77Å; I47-F58 HydrophobicContact CG2-CD1 4.2Å; I47-F58 HydrophobicContact CG2-CE1 3.69Å; I47-F58 HydrophobicContact CG2-CE2 4.48Å; I47-F58 HydrophobicContact CG2-CZ 3.85Å; I47-V73 HydrophobicContact CD1-CG1 3.92Å; I47-V73 HydrophobicContact CG1-CG1 4.19Å; I47-V73 HydrophobicContact CG2-CG1 3.85Å; I47-T75 HydrophobicContact CD1-CG2 4.06Å; I47-T75 HydrophobicContact CG1-CG2 4.41Å; I47-F97 HydrophobicContact CB-CZ 4.42Å; I47-F97 HydrophobicContact CG1-CZ 4.47Å; I47-F97 WeakPolarHBondContact O-CE1 3.38Å; I47-F97 WeakPolarHBondContact O-CZ 3.46Å; I47-W99 HydrophobicContact CD1-CE3 4.22Å; I47-W99 HydrophobicContact CD1-CZ3 3.9Å; I47-F104 HydrophobicContact CD1-CD2 4.26Å; I47-F104 HydrophobicContact CD1-CE2 4.1Å; I47-W107 HydrophobicContact CD1-CH2 4.41Å; I47-W107 HydrophobicContact CD1-CZ3 4.19Å
48E98.7Very high98.1Very high1 Ų160.2 Ų60.21%0.00532%0.316CS..G310 helixtrans-64.4-18.6174.760.4-85.8-157.800113.8E45 L46 T75 P76 H95 K96 F97E45-E48 WeakPolarHBondContact CA-OE1 3.36Å; E45-E48 VanDerWaalsContact CB-OE1 3.26Å; E45-E48 WeakPolarHBondContact CB-OE1 3.38Å; L46-E48 VanDerWaalsContact C-N 3.29Å; L46-E48 PolarHBondContact N-OE2 3.47Å; L46-E48 PolarHBondContact O-N 3.38Å; E48-T75 VanDerWaalsContact OE2-CB 3.28Å; E48-T75 WeakPolarHBondContact OE2-CB 3.16Å; E48-T75 PolarHBondContact OE2-OG1 3.39Å; E48-P76 HydrophobicContact CG-CG 4.44Å; E48-P76 WeakPolarHBondContact OE1-CD 3.24Å; E48-H95 CarbonylContact O-C 3.52Å; E48-K96 PolarHBondContact O-N 3.08Å; E48-F97 HydrophobicContact CB-CE2 4.42Å; E48-F97 WeakPolarHBondContact CB-O 3.46Å
49H98.6Very high98.3Very high61 Ų6155.6 Ų55.628%0.28230%0.296SS..G310 helixtrans-84.7-13.5173.2-68.8-91.5000112.7L46 I47 D94 H95 K96L46-H49 WeakPolarHBondContact O-CB 3.44Å; L46-H49 PolarHBondContact O-N 2.82Å; L46-H49 VanDerWaalsContact O-N 3.09Å; I47-H49 PolarHBondContact O-N 3Å; H49-D94 IonicContact CE1-OD2 2.73Å; H49-D94 IonicContact CG-OD2 2.69Å; H49-D94 IonicContact ND1-OD2 3.47Å; H49-D94 PolarHBondContact ND1-OD2 3.27Å; H49-H95 AromaticContact CE1-CD2 3.76Å; H49-H95 AromaticContact NE2-CD2 3.62Å; H49-H95 AromaticContact NE2-NE2 3.69Å; H49-K96 WeakPolarHBondContact O-CE 3.46Å; H49-K96 WeakPolarHBondContact O-CG 3.48Å
50L98.6Very high98.3Very high19 Ų1950.7 Ų50.710%0.09927%0.273CS..SBendtrans-83.4146.2178.1-55.7-178.6000111V28 I47 D54 L55 F58 K96 F97V28-L50 HydrophobicContact CG2-CD1 4.36Å; V28-L50 HydrophobicContact CG2-CD2 4.21Å; I47-L50 WeakPolarHBondContact O-CB 3.42Å; I47-L50 PolarHBondContact O-N 3.1Å; L50-D54 HydrophobicContact CB-CB 3.98Å; L50-D54 HydrophobicContact CD2-CB 4.39Å; L50-L55 HydrophobicContact CB-CB 4.42Å; L50-L55 HydrophobicContact CD1-CD1 4.08Å; L50-F58 HydrophobicContact CD1-CB 3.65Å; L50-F58 HydrophobicContact CD1-CD2 4.07Å; L50-F58 HydrophobicContact CD1-CG 3.84Å; L50-K96 WeakPolarHBondContact O-CB 3.4Å; L50-K96 WeakPolarHBondContact O-CG 3.14Å; L50-F97 WeakPolarHBondContact O-CE1 3.37Å
51T98.4Very high98.2Very high59 Ų5946.9 Ų46.936%0.36225%0.253SS..  trans-71.1159.8164.375.20000109.8P53 D54 L55T51-P53 WeakPolarHBondContact OG1-CD 3.46Å; T51-D54 WeakPolarHBondContact CB-OD2 3.44Å; T51-D54 WeakPolarHBondContact CG2-OD2 3.43Å; T51-D54 PolarHBondContact N-OD2 3.12Å; T51-D54 CarbonylContact O-C 3.58Å; T51-D54 WeakPolarHBondContact O-CA 3.43Å; T51-D54 WeakPolarHBondContact O-CB 3.43Å; T51-D54 PolarHBondContact O-N 3.01Å; T51-D54 VanDerWaalsContact OG1-CG 3.25Å; T51-D54 PolarHBondContact OG1-N 3.1Å; T51-D54 PolarHBondContact OG1-OD2 3.47Å; T51-L55 PolarHBondContact O-N 3.24Å
52L96.4Very high98.2Very high102 Ų10246 Ų4653%0.53425%0.248SC..Hα-helixtrans-56.9-41.2179.3-62.3176.5000113.3L55 E56 F97 W99L52-L55 WeakPolarHBondContact O-CB 3.23Å; L52-L55 PolarHBondContact O-N 3.41Å; L52-E56 PolarHBondContact O-N 3.34Å; L52-E56 VanDerWaalsContact O-N 3.16Å; L52-F97 HydrophobicContact CD2-CD1 4.11Å; L52-F97 HydrophobicContact CD2-CE1 4.29Å; L52-W99 HydrophobicContact CD2-CZ2 4.42Å
53P97.7Very high98.1Very high82 Ų8242.3 Ų42.353%0.53223%0.225SC..Hα-helixtrans-61.7-39170.1-25.635.5000114.2T51 L55 E56 L57T51-P53 WeakPolarHBondContact OG1-CD 3.46Å; P53-L55 VanDerWaalsContact C-N 3.26Å; P53-L55 PolarHBondContact O-N 2.96Å; P53-E56 PolarHBondContact O-N 3.27Å; P53-L57 PolarHBondContact O-N 3.45Å
54D98.4Very high97.8Very high55 Ų5542.8 Ų42.829%0.29423%0.233SC..Hα-helixtrans-66.2-30.9175.5-66.4-50.3000111.7T29 L50 T51 L57 F58T29-D54 HydrophobicContact CG2-CB 3.84Å; T29-D54 WeakPolarHBondContact CG2-O 3.21Å; L50-D54 HydrophobicContact CB-CB 3.98Å; L50-D54 HydrophobicContact CD2-CB 4.39Å; T51-D54 WeakPolarHBondContact CB-OD2 3.44Å; T51-D54 WeakPolarHBondContact CG2-OD2 3.43Å; T51-D54 PolarHBondContact N-OD2 3.12Å; T51-D54 CarbonylContact O-C 3.58Å; T51-D54 WeakPolarHBondContact O-CA 3.43Å; T51-D54 WeakPolarHBondContact O-CB 3.43Å; T51-D54 PolarHBondContact O-N 3.01Å; T51-D54 VanDerWaalsContact OG1-CG 3.25Å; T51-D54 PolarHBondContact OG1-N 3.1Å; T51-D54 PolarHBondContact OG1-OD2 3.47Å; D54-L57 PolarHBondContact O-N 3.19Å; D54-F58 WeakPolarHBondContact O-CB 3.32Å; D54-F58 PolarHBondContact O-N 3.39Å
55L98.4Very high97.6Very high5 Ų538.2 Ų38.23%0.02621%0.209CC..Hα-helixtrans-71.8-33.9177.2-172.858.7000112.8I47 L50 T51 L52 P53 F58 S59 F97 W99 W107I47-L55 HydrophobicContact CB-CD1 3.76Å; I47-L55 HydrophobicContact CG2-CD1 3.77Å; L50-L55 HydrophobicContact CB-CB 4.42Å; L50-L55 HydrophobicContact CD1-CD1 4.08Å; T51-L55 PolarHBondContact O-N 3.24Å; L52-L55 WeakPolarHBondContact O-CB 3.23Å; L52-L55 PolarHBondContact O-N 3.41Å; P53-L55 VanDerWaalsContact C-N 3.26Å; P53-L55 PolarHBondContact O-N 2.96Å; L55-F58 HydrophobicContact CD1-CD1 3.79Å; L55-F58 HydrophobicContact CD1-CE1 4.41Å; L55-F58 HydrophobicContact CD1-CG 4.42Å; L55-S59 WeakPolarHBondContact O-CB 3.32Å; L55-S59 PolarHBondContact O-N 2.95Å; L55-S59 PolarHBondContact O-OG 3.38Å; L55-F97 HydrophobicContact CD2-CE1 4Å; L55-F97 HydrophobicContact CD2-CZ 3.67Å; L55-W99 HydrophobicContact CD2-CH2 3.31Å; L55-W99 HydrophobicContact CD2-CZ2 3.76Å; L55-W99 HydrophobicContact CD2-CZ3 4.11Å; L55-W107 HydrophobicContact CD1-CZ2 4.22Å
56E97.3Very high97.5Very high146 Ų14636.1 Ų36.168%0.68220%0.199SC*.Hα-helixtrans-63.1-45.6168.8-68.3176.4-175.900110.6L52 P53 S59 S60L52-E56 PolarHBondContact O-N 3.34Å; L52-E56 VanDerWaalsContact O-N 3.16Å; P53-E56 PolarHBondContact O-N 3.27Å; E56-S59 PolarHBondContact O-N 3.06Å; E56-S60 PolarHBondContact O-N 3.09Å; E56-S60 VanDerWaalsContact O-N 3.08Å
57L98.1Very high97.2Very high85 Ų8535.4 Ų35.445%0.44519%0.193SC..Hα-helixtrans-62-49.2175.7-68.6175.3000111.9T29 P53 D54 S59 S60 V61T29-L57 HydrophobicContact CG2-CB 4.14Å; P53-L57 PolarHBondContact O-N 3.45Å; D54-L57 PolarHBondContact O-N 3.19Å; L57-S59 VanDerWaalsContact C-N 3.28Å; L57-S59 PolarHBondContact O-N 3.11Å; L57-S60 CarbonylContact O-C 3.57Å; L57-S60 PolarHBondContact O-N 2.92Å; L57-S60 VanDerWaalsContact O-N 3.07Å; L57-S60 PolarHBondContact O-OG 2.94Å; L57-V61 WeakPolarHBondContact O-CG2 3.32Å; L57-V61 PolarHBondContact O-N 3.47Å
58F98.6Very high97.1Very high0 Ų035.4 Ų35.40%019%0.193CC..Hα-helixtrans-50.8-47.5173.4164.5-93.3000111.8V28 N43 L46 I47 L50 D54 L55 S60 V61 V62 F63 W107V28-F58 HydrophobicContact CB-CD2 3.96Å; V28-F58 HydrophobicContact CB-CE2 4.46Å; V28-F58 HydrophobicContact CG2-CD2 3.76Å; V28-F58 HydrophobicContact CG2-CE2 4.43Å; N43-F58 HydrophobicContact CB-CE2 4.31Å; N43-F58 HydrophobicContact CB-CZ 4.07Å; N43-F58 WeakPolarHBondContact OD1-CE2 3.47Å; L46-F58 HydrophobicContact CD2-CE2 4.25Å; I47-F58 HydrophobicContact CG2-CD1 4.2Å; I47-F58 HydrophobicContact CG2-CE1 3.69Å; I47-F58 HydrophobicContact CG2-CE2 4.48Å; I47-F58 HydrophobicContact CG2-CZ 3.85Å; L50-F58 HydrophobicContact CD1-CB 3.65Å; L50-F58 HydrophobicContact CD1-CD2 4.07Å; L50-F58 HydrophobicContact CD1-CG 3.84Å; D54-F58 WeakPolarHBondContact O-CB 3.32Å; D54-F58 PolarHBondContact O-N 3.39Å; L55-F58 HydrophobicContact CD1-CD1 3.79Å; L55-F58 HydrophobicContact CD1-CE1 4.41Å; L55-F58 HydrophobicContact CD1-CG 4.42Å; F58-S60 VanDerWaalsContact C-N 3.31Å; F58-S60 PolarHBondContact O-N 3.49Å; F58-V61 PolarHBondContact O-N 3.01Å; F58-V62 HydrophobicContact CD2-CG2 3.85Å; F58-V62 HydrophobicContact CE2-CG2 3.59Å; F58-V62 HydrophobicContact CZ-CG2 4.02Å; F58-V62 PolarHBondContact O-N 2.66Å; F58-F63 HydrophobicContact CE1-CE2 4.3Å; F58-W107 HydrophobicContact CD1-CZ2 4.32Å; F58-W107 HydrophobicContact CE1-CH2 4.22Å; F58-W107 HydrophobicContact CE1-CZ2 4.01Å
59S98.2Very high97Very high7 Ų736.8 Ų36.85%0.04921%0.205CC..Hα-helixtrans-60.5-43.2179.5-56.30000110.8L55 E56 L57 F63 W107L55-S59 WeakPolarHBondContact O-CB 3.32Å; L55-S59 PolarHBondContact O-N 2.95Å; L55-S59 PolarHBondContact O-OG 3.38Å; E56-S59 PolarHBondContact O-N 3.06Å; L57-S59 VanDerWaalsContact C-N 3.28Å; L57-S59 PolarHBondContact O-N 3.11Å; S59-F63 WeakPolarHBondContact O-CB 3.49Å; S59-F63 PolarHBondContact O-N 2.95Å; S59-F63 VanDerWaalsContact O-N 3.1Å; S59-W107 PolarHBondContact OG-NE1 2.96Å
60S97.1Very high97Very high31 Ų3135 Ų3522%0.21720%0.199CC..Iπ-helixtrans-68.1-32.1176.381.80000114.1E56 L57 F58 G64 Y65 Y115E56-S60 PolarHBondContact O-N 3.09Å; E56-S60 VanDerWaalsContact O-N 3.08Å; L57-S60 CarbonylContact O-C 3.57Å; L57-S60 PolarHBondContact O-N 2.92Å; L57-S60 VanDerWaalsContact O-N 3.07Å; L57-S60 PolarHBondContact O-OG 2.94Å; F58-S60 VanDerWaalsContact C-N 3.31Å; F58-S60 PolarHBondContact O-N 3.49Å; S60-G64 CarbonylContact O-C 3.58Å; S60-G64 WeakPolarHBondContact O-CA 3.31Å; S60-G64 PolarHBondContact O-N 3.11Å; S60-Y65 PolarHBondContact O-N 3.45Å; S60-Y115 WeakPolarHBondContact CA-OH 3.42Å
61V97.2Very high97Very high5 Ų534.1 Ų34.13%0.0320%0.195CC..Iπ-helixtrans-77.6-52.2179.6170.90000110.7Q30 R31 L57 F58 Y65 M66Q30-V61 WeakPolarHBondContact O-CG1 3.5Å; R31-V61 HydrophobicContact CG-CG2 4.17Å; L57-V61 WeakPolarHBondContact O-CG2 3.32Å; L57-V61 PolarHBondContact O-N 3.47Å; F58-V61 PolarHBondContact O-N 3.01Å; V61-Y65 WeakPolarHBondContact O-CB 3.46Å; V61-Y65 PolarHBondContact O-N 3.49Å; V61-M66 HydrophobicContact CG1-CG 4.43Å; V61-M66 HydrophobicContact CG1-SD 4.05Å; V61-M66 WeakPolarHBondContact O-CG 3.44Å; V61-M66 PolarHBondContact O-N 2.81Å
62V97.8Very high97Very high2 Ų233.6 Ų33.61%0.01219%0.189CC..Iπ-helixtrans-71.1-52.9-175.6176.40000111.4V41 F58 M66 R67 P68 V71V41-V62 HydrophobicContact CG1-CG1 4.33Å; F58-V62 HydrophobicContact CD2-CG2 3.85Å; F58-V62 HydrophobicContact CE2-CG2 3.59Å; F58-V62 HydrophobicContact CZ-CG2 4.02Å; F58-V62 PolarHBondContact O-N 2.66Å; V62-M66 HydrophobicContact CG2-SD 4.27Å; V62-R67 PolarHBondContact O-N 2.87Å; V62-P68 VanDerWaalsContact O-CD 3.24Å; V62-P68 WeakPolarHBondContact O-CD 3.33Å; V62-V71 HydrophobicContact CG1-CG1 3.97Å; V62-V71 HydrophobicContact CG1-CG2 3.95Å
63F96.8Very high97.1Very high2 Ų228.7 Ų28.71%0.00916%0.163CC..Iπ-helixtrans-88.5-30.4-173.9-60-92.9000112.7F58 S59 V71 V73 V111 Y115 Y117 F144F58-F63 HydrophobicContact CE1-CE2 4.3Å; S59-F63 WeakPolarHBondContact O-CB 3.49Å; S59-F63 PolarHBondContact O-N 2.95Å; S59-F63 VanDerWaalsContact O-N 3.1Å; F63-V71 HydrophobicContact CD1-CG2 4.01Å; F63-V71 HydrophobicContact CE1-CB 3.77Å; F63-V71 HydrophobicContact CE1-CG1 4.15Å; F63-V71 HydrophobicContact CE1-CG2 3.6Å; F63-V71 HydrophobicContact CZ-CB 3.96Å; F63-V71 HydrophobicContact CZ-CG1 3.82Å; F63-V71 HydrophobicContact CZ-CG2 4.07Å; F63-V73 HydrophobicContact CZ-CG2 4.28Å; F63-V111 HydrophobicContact CB-CG1 4.12Å; F63-V111 HydrophobicContact CD1-CG1 3.59Å; F63-V111 HydrophobicContact CD2-CG1 3.53Å; F63-V111 HydrophobicContact CE1-CG1 3.77Å; F63-V111 HydrophobicContact CE2-CG1 3.72Å; F63-V111 HydrophobicContact CG-CG1 3.46Å; F63-V111 VanDerWaalsContact CG-CG1 3.46Å; F63-V111 HydrophobicContact CZ-CG1 3.83Å; F63-Y115 HydrophobicContact CB-CD1 4.27Å; F63-Y115 HydrophobicContact CB-CD2 3.67Å; F63-Y115 HydrophobicContact CB-CE2 4.42Å; F63-Y115 HydrophobicContact CB-CG 3.59Å; F63-Y117 HydrophobicContact CB-CD2 4.45Å; F63-Y117 HydrophobicContact CB-CE2 4.09Å; F63-Y117 HydrophobicContact CD1-CD1 4.22Å; F63-Y117 AromaticContact CD1-CD2 3.91Å; F63-Y117 HydrophobicContact CD1-CD2 3.91Å; F63-Y117 HydrophobicContact CD1-CE1 4.23Å; F63-Y117 AromaticContact CD1-CE2 3.91Å; F63-Y117 HydrophobicContact CD1-CE2 3.91Å; F63-Y117 HydrophobicContact CD1-CG 4.09Å; F63-F144 HydrophobicContact CE1-CB 3.85Å; F63-F144 AromaticContact CE1-CD1 3.68Å; F63-F144 HydrophobicContact CE1-CD1 3.68Å; F63-F144 HydrophobicContact CE1-CD2 4.07Å; F63-F144 HydrophobicContact CE1-CE1 4.19Å; F63-F144 AromaticContact CE1-CG 3.61Å; F63-F144 HydrophobicContact CE1-CG 3.61Å; F63-F144 HydrophobicContact CZ-CD1 4.11Å; F63-F144 HydrophobicContact CZ-CD2 4.03Å; F63-F144 HydrophobicContact CZ-CE1 4.21Å; F63-F144 HydrophobicContact CZ-CE2 4.15Å; F63-F144 HydrophobicContact CZ-CG 4.03Å; F63-F144 HydrophobicContact CZ-CZ 4.22Å
64G93.9Very high97.2Very high22 Ų2225.1 Ų25.123%0.22714%0.14CC..Iπ-helixtrans-88.3-40.6-178.800000115.3S60 R67 Y115S60-G64 CarbonylContact O-C 3.58Å; S60-G64 WeakPolarHBondContact O-CA 3.31Å; S60-G64 PolarHBondContact O-N 3.11Å; G64-R67 VanDerWaalsContact O-CD 3.28Å; G64-R67 WeakPolarHBondContact O-CD 3.13Å; G64-R67 WeakPolarHBondContact O-CG 3.5Å; G64-Y115 VanDerWaalsContact CA-CD1 3.42Å
65Y94.1Very high97.2Very high5 Ų522.5 Ų22.52%0.0213%0.126CC..Iπ-helixtrans-105.4-52.7-173.8176-98.1000113.7R31 A33 R36 S60 V61 R67 E155R31-Y65 HydrophobicContact CB-CD1 3.93Å; R31-Y65 HydrophobicContact CB-CE1 3.68Å; R31-Y65 HydrophobicContact CB-CE2 4.39Å; R31-Y65 HydrophobicContact CB-CG 4.38Å; R31-Y65 HydrophobicContact CG-CD1 3.83Å; R31-Y65 HydrophobicContact CG-CD2 4.19Å; R31-Y65 HydrophobicContact CG-CE1 4.1Å; R31-Y65 HydrophobicContact CG-CE2 4.42Å; R31-Y65 HydrophobicContact CG-CG 3.88Å; A33-Y65 VanDerWaalsContact CA-OH 3.3Å; A33-Y65 WeakPolarHBondContact CA-OH 3.2Å; A33-Y65 PolarHBondContact N-OH 3.38Å; R36-Y65 HydrophobicContact CG-CD1 4.39Å; R36-Y65 HydrophobicContact CG-CE1 3.95Å; S60-Y65 PolarHBondContact O-N 3.45Å; V61-Y65 WeakPolarHBondContact O-CB 3.46Å; V61-Y65 PolarHBondContact O-N 3.49Å; Y65-R67 VanDerWaalsContact C-N 3.33Å; Y65-E155 HydrophobicContact CE2-CB 4.38Å
66M95Very high97.2Very high19 Ų1922.4 Ų22.49%0.09413%0.126CC..Iπ-helixtrans-67.5-37177.8-66.2169.254.100111.4L35 G37 V41 V61 V62L35-M66 HydrophobicContact CB-CE 3.99Å; L35-M66 HydrophobicContact CB-CG 4.17Å; L35-M66 HydrophobicContact CB-SD 4.25Å; G37-M66 PolarHBondContact N-O 3.1Å; V41-M66 HydrophobicContact CG1-CE 4.09Å; V41-M66 HydrophobicContact CG2-CE 3.73Å; V61-M66 HydrophobicContact CG1-CG 4.43Å; V61-M66 HydrophobicContact CG1-SD 4.05Å; V61-M66 WeakPolarHBondContact O-CG 3.44Å; V61-M66 PolarHBondContact O-N 2.81Å; V62-M66 HydrophobicContact CG2-SD 4.27Å
67R94.1Very high97.3Very high35 Ų3515.5 Ų15.513%0.1329%0.094CC..  trans48.146.5173.1-59.4175.561.2-155.3-8.4113.9V62 G64 Y65 Y117 R146 L150 P151 D152V62-R67 PolarHBondContact O-N 2.87Å; G64-R67 VanDerWaalsContact O-CD 3.28Å; G64-R67 WeakPolarHBondContact O-CD 3.13Å; G64-R67 WeakPolarHBondContact O-CG 3.5Å; Y65-R67 VanDerWaalsContact C-N 3.33Å; R67-Y117 VanDerWaalsContact C-OH 3.25Å; R67-Y117 WeakPolarHBondContact CA-OH 3.35Å; R67-R146 PolarHBondContact O-NH1 3.04Å; R67-L150 PolarHBondContact NH2-O 3.02Å; R67-P151 PolarHBondContact NH1-O 3.31Å; R67-P151 VanDerWaalsContact NH1-O 3.12Å; R67-D152 IonicContact NH1-OD1 3.62Å
68P96.3Very high97.3Very high1 Ų113.3 Ų13.31%0.0069%0.085CC..  trans-65163.1-177.133.1-39.5000112.1F38 V41 V62 V71 Y117F38-P68 HydrophobicContact CB-CB 4.47Å; F38-P68 WeakPolarHBondContact O-CA 3.47Å; F38-P68 WeakPolarHBondContact O-CB 3.38Å; V41-P68 HydrophobicContact CB-CB 4.38Å; V41-P68 HydrophobicContact CB-CG 4.03Å; V41-P68 HydrophobicContact CG2-CB 3.67Å; V41-P68 HydrophobicContact CG2-CG 3.66Å; V62-P68 VanDerWaalsContact O-CD 3.24Å; V62-P68 WeakPolarHBondContact O-CD 3.33Å; P68-V71 HydrophobicContact CG-CG2 3.46Å; P68-V71 VanDerWaalsContact CG-CG2 3.46Å; P68-Y117 PolarHBondContact O-OH 3.09Å
69A96.2Very high97.3Very high30 Ų3015.6 Ų15.625%0.24810%0.096CC..SBendtrans-65.3-4117900000111.9F38 D39 Q145 R146F38-A69 PolarHBondContact O-N 3.33Å; D39-A69 WeakPolarHBondContact O-CB 3.38Å; D39-A69 PolarHBondContact O-N 2.99Å; A69-Q145 PolarHBondContact O-OE1 3.27Å; A69-R146 WeakPolarHBondContact O-CB 3.4Å; A69-R146 PolarHBondContact O-N 2.88Å
70S98.1Very high97.3Very high24 Ų2416.1 Ų16.117%0.16810%0.097CC..EExtended strand (participates in β ladder)trans-129.4147.9172.4-47.40000112.3D39 L40 V41 F144 Q145D39-S70 PolarHBondContact O-N 2.7Å; L40-S70 WeakPolarHBondContact CA-O 3.33Å; V41-S70 PolarHBondContact N-O 2.86Å; V41-S70 VanDerWaalsContact N-O 3.1Å; S70-F144 CarbonylContact C-O 3.54Å; S70-F144 VanDerWaalsContact CA-O 3.24Å; S70-F144 WeakPolarHBondContact CA-O 3.38Å; S70-Q145 VanDerWaalsContact OG-CD 3.28Å; S70-Q145 PolarHBondContact OG-NE2 2.88Å; S70-Q145 VanDerWaalsContact OG-NE2 3.15Å; S70-Q145 PolarHBondContact OG-OE1 3.04Å
71V98.8Very high97.3Very high0 Ų015.7 Ų15.70%09%0.093CC..EExtended strand (participates in β ladder)trans-124.7136.9167.8-170.30000109.1V41 V62 F63 P68 V73 Y117 F144V41-V71 CarbonylContact O-C 3.56Å; V41-V71 WeakPolarHBondContact O-CA 3.41Å; V62-V71 HydrophobicContact CG1-CG1 3.97Å; V62-V71 HydrophobicContact CG1-CG2 3.95Å; F63-V71 HydrophobicContact CD1-CG2 4.01Å; F63-V71 HydrophobicContact CE1-CB 3.77Å; F63-V71 HydrophobicContact CE1-CG1 4.15Å; F63-V71 HydrophobicContact CE1-CG2 3.6Å; F63-V71 HydrophobicContact CZ-CB 3.96Å; F63-V71 HydrophobicContact CZ-CG1 3.82Å; F63-V71 HydrophobicContact CZ-CG2 4.07Å; P68-V71 HydrophobicContact CG-CG2 3.46Å; P68-V71 VanDerWaalsContact CG-CG2 3.46Å; V71-V73 HydrophobicContact CG1-CG2 3.81Å; V71-Y117 HydrophobicContact CG2-CE1 4.37Å; V71-F144 HydrophobicContact CB-CB 4.13Å; V71-F144 HydrophobicContact CB-CD2 4.33Å; V71-F144 PolarHBondContact N-O 2.93Å; V71-F144 PolarHBondContact O-N 3.4Å
72I98.9Very high97.2Very high47 Ų4722.1 Ų22.124%0.24112%0.12CC..EExtended strand (participates in β ladder)trans-111.9125.5166.5-60.3173.7000107.6L40 V41 T42 N43 I44 I141 V143L40-I72 HydrophobicContact CD1-CD1 4.06Å; L40-I72 HydrophobicContact CD1-CG1 4.05Å; V41-I72 PolarHBondContact O-N 2.79Å; T42-I72 WeakPolarHBondContact CA-O 3.31Å; T42-I72 HydrophobicContact CG2-CB 4.33Å; T42-I72 HydrophobicContact CG2-CD1 4.44Å; N43-I72 PolarHBondContact N-O 2.94Å; I44-I72 HydrophobicContact CD1-CG2 4.08Å; I72-I141 HydrophobicContact CG2-CG2 3.87Å; I72-V143 HydrophobicContact CG1-CG1 4.5Å
73V98.9Very high97.1Very high0 Ų024.4 Ų24.40%013%0.132CC..EExtended strand (participates in β ladder)trans-122128.7173.3-172.90000108.4N43 I47 F63 V71 F104 W107 I141 G142 F144N43-V73 HydrophobicContact CB-CG2 4.39Å; N43-V73 WeakPolarHBondContact O-CA 3.46Å; I47-V73 HydrophobicContact CD1-CG1 3.92Å; I47-V73 HydrophobicContact CG1-CG1 4.19Å; I47-V73 HydrophobicContact CG2-CG1 3.85Å; F63-V73 HydrophobicContact CZ-CG2 4.28Å; V71-V73 HydrophobicContact CG1-CG2 3.81Å; V73-F104 HydrophobicContact CG1-CE2 4.44Å; V73-W107 HydrophobicContact CG1-CH2 4.15Å; V73-W107 HydrophobicContact CG1-CZ3 4.28Å; V73-W107 HydrophobicContact CG2-CH2 4.25Å; V73-I141 WeakPolarHBondContact O-CA 3.39Å; V73-G142 PolarHBondContact N-O 3.09Å; V73-G142 PolarHBondContact O-N 3.09Å; V73-F144 HydrophobicContact CB-CE2 4.07Å; V73-F144 HydrophobicContact CG2-CD2 4.27Å; V73-F144 HydrophobicContact CG2-CE2 3.78Å
74S98.9Very high97Very high7 Ų726.9 Ų26.95%0.04915%0.145CC..EExtended strand (participates in β ladder)trans-119.7152.5169.179.50000111.2N43 I44 E45 Q140N43-S74 PolarHBondContact O-N 3.3Å; I44-S74 WeakPolarHBondContact CA-OG 3.36Å; E45-S74 PolarHBondContact N-O 2.97Å; E45-S74 PolarHBondContact N-OG 3.41Å; E45-S74 VanDerWaalsContact OE1-C 3.23Å; E45-S74 WeakPolarHBondContact OE1-CB 3.2Å; E45-S74 PolarHBondContact OE1-OG 3.07Å; S74-Q140 WeakPolarHBondContact CA-O 3.47Å
75T98.9Very high97Very high0 Ų032.2 Ų32.20%018%0.176CC..EExtended strand (participates in β ladder)trans-157.5157.4175.7-166.20000109.3E45 I47 E48 F104 Q140E45-T75 WeakPolarHBondContact OE1-CA 3.09Å; E45-T75 PolarHBondContact OE1-N 3.18Å; E45-T75 VanDerWaalsContact OE1-N 3.11Å; I47-T75 HydrophobicContact CD1-CG2 4.06Å; I47-T75 HydrophobicContact CG1-CG2 4.41Å; E48-T75 VanDerWaalsContact OE2-CB 3.28Å; E48-T75 WeakPolarHBondContact OE2-CB 3.16Å; E48-T75 PolarHBondContact OE2-OG1 3.39Å; T75-F104 HydrophobicContact CG2-CD2 3.71Å; T75-F104 HydrophobicContact CG2-CE2 3.94Å; T75-F104 HydrophobicContact CG2-CG 4.23Å; T75-Q140 HydrophobicContact CG2-CG 3.8Å; T75-Q140 PolarHBondContact N-O 2.87Å; T75-Q140 VanDerWaalsContact N-O 3.1Å; T75-Q140 VanDerWaalsContact O-CG 3.3Å; T75-Q140 WeakPolarHBondContact O-CG 3.34Å; T75-Q140 PolarHBondContact O-N 3.48Å
76P98.7Very high97Very high3 Ų335.8 Ų35.82%0.01922%0.215CC..EExtended strand (participates in β ladder)trans-53.4145.2170.5-31.937.6000113.6E48 E98 Q140E48-P76 HydrophobicContact CG-CG 4.44Å; E48-P76 WeakPolarHBondContact OE1-CD 3.24Å; P76-E98 HydrophobicContact CB-CG 4.4Å; P76-Q140 PolarHBondContact O-NE2 2.71Å
77N98.6Very high97.1Very high1 Ų137.6 Ų37.61%0.00522%0.224CC..  trans-102.3108.8168.317315.6000110.2E79 F80 N81 R91 V135 F137 C138 Q140N77-E79 PolarHBondContact O-N 3.06Å; N77-E79 WeakPolarHBondContact OD1-CB 3.35Å; N77-E79 PolarHBondContact OD1-N 3.02Å; N77-E79 VanDerWaalsContact OD1-N 3.14Å; N77-F80 WeakPolarHBondContact O-CB 3.27Å; N77-F80 PolarHBondContact O-N 2.7Å; N77-F80 VanDerWaalsContact O-N 3.09Å; N77-N81 PolarHBondContact O-OD1 2.74Å; N77-R91 PolarHBondContact O-NH2 2.89Å; N77-V135 PolarHBondContact ND2-O 2.99Å; N77-F137 WeakPolarHBondContact CB-O 3.42Å; N77-F137 PolarHBondContact ND2-O 3.3Å; N77-C138 PolarHBondContact N-O 2.81Å; N77-C138 VanDerWaalsContact N-O 3.13Å; N77-Q140 HydrophobicContact CB-CB 4.32Å; N77-Q140 HydrophobicContact CB-CG 4.11Å
78S98.3Very high97Very high38 Ų3842.1 Ų42.127%0.26626%0.256SS..G310 helixtrans-66.3-19.6-176.2600000114F80 N81 E98 W99 N100S78-F80 PolarHBondContact O-N 3.03Å; S78-N81 WeakPolarHBondContact O-CB 3.13Å; S78-N81 PolarHBondContact O-N 2.73Å; S78-E98 VanDerWaalsContact CB-O 3.28Å; S78-E98 WeakPolarHBondContact CB-O 3.24Å; S78-E98 PolarHBondContact OG-O 3.4Å; S78-W99 PolarHBondContact N-O 2.63Å; S78-W99 VanDerWaalsContact OG-C 3.22Å; S78-W99 PolarHBondContact OG-O 3.48Å; S78-N100 PolarHBondContact OG-N 2.96Å
79E97.9Very high96.8Very high49 Ų4945 Ų4523%0.22929%0.285CS..G310 helixtrans-64.9-26.1173.8-61.4176.9-134.500112.8N77 K82 N100 R101 V135N77-E79 PolarHBondContact O-N 3.06Å; N77-E79 WeakPolarHBondContact OD1-CB 3.35Å; N77-E79 PolarHBondContact OD1-N 3.02Å; N77-E79 VanDerWaalsContact OD1-N 3.14Å; E79-K82 WeakPolarHBondContact O-CE 3.26Å; E79-N100 HydrophobicContact CG-CB 3.75Å; E79-R101 VanDerWaalsContact CD-NE 3.32Å; E79-R101 VanDerWaalsContact OE1-CB 3.23Å; E79-R101 WeakPolarHBondContact OE1-CB 3.5Å; E79-R101 WeakPolarHBondContact OE1-CG 3.32Å; E79-R101 PolarHBondContact OE1-N 3.29Å; E79-R101 IonicContact OE1-NE 2.7Å; E79-R101 PolarHBondContact OE1-NE 3.02Å; E79-R101 IonicContact OE2-CZ 3.39Å; E79-R101 IonicContact OE2-NE 3.61Å; E79-R101 PolarHBondContact OE2-NE 2.63Å; E79-R101 IonicContact OE2-NH2 2.81Å; E79-R101 PolarHBondContact OE2-NH2 2.76Å; E79-V135 WeakPolarHBondContact O-CG1 3.4Å
80F97.9Very high96.9Very high17 Ų1748.1 Ų48.18%0.07529%0.294CS..G310 helixtrans-79.9-21.8178-161.3-81.6000112.4N77 S78 K82 L83 L84 A127 V135 G136 C138N77-F80 WeakPolarHBondContact O-CB 3.27Å; N77-F80 PolarHBondContact O-N 2.7Å; N77-F80 VanDerWaalsContact O-N 3.09Å; S78-F80 PolarHBondContact O-N 3.03Å; F80-K82 PolarHBondContact O-N 3.27Å; F80-L83 HydrophobicContact CD1-CB 4.3Å; F80-L83 HydrophobicContact CD2-CD1 4.32Å; F80-L83 HydrophobicContact CE1-CB 4.21Å; F80-L83 HydrophobicContact CE1-CD1 4.42Å; F80-L83 HydrophobicContact CE2-CD1 4.22Å; F80-L83 HydrophobicContact CG-CD1 4.49Å; F80-L83 HydrophobicContact CZ-CD1 4.25Å; F80-L83 WeakPolarHBondContact O-CB 3.36Å; F80-L83 PolarHBondContact O-N 2.89Å; F80-L84 HydrophobicContact CD1-CD2 4.16Å; F80-L84 HydrophobicContact CD1-CG 4.31Å; F80-L84 HydrophobicContact CE1-CD2 4.01Å; F80-A127 HydrophobicContact CD2-CB 4.3Å; F80-A127 HydrophobicContact CE2-CB 3.65Å; F80-A127 HydrophobicContact CZ-CB 4.39Å; F80-V135 HydrophobicContact CD2-CG2 4.01Å; F80-V135 HydrophobicContact CE2-CG2 4.49Å; F80-G136 WeakPolarHBondContact CD2-O 3.42Å; F80-C138 HydrophobicContact CD1-CB 3.88Å; F80-C138 HydrophobicContact CD2-CB 4.04Å; F80-C138 HydrophobicContact CE1-CB 3.76Å; F80-C138 HydrophobicContact CE2-CB 3.88Å; F80-C138 HydrophobicContact CG-CB 4.04Å; F80-C138 HydrophobicContact CZ-CB 3.75Å
81N97.1Very high96.9Very high22 Ų2250 Ų5012%0.11830%0.297CS..G310 helixtrans-57.1-30.5-171.7-71.610.7000113.8N77 S78 L83 L84 L87 R91 E98N77-N81 PolarHBondContact O-OD1 2.74Å; S78-N81 WeakPolarHBondContact O-CB 3.13Å; S78-N81 PolarHBondContact O-N 2.73Å; N81-L83 PolarHBondContact O-N 2.63Å; N81-L83 VanDerWaalsContact O-N 3.07Å; N81-L84 WeakPolarHBondContact O-CB 3.24Å; N81-L84 PolarHBondContact O-N 3.37Å; N81-L87 HydrophobicContact CB-CD2 3.82Å; N81-R91 PolarHBondContact OD1-NE 2.99Å; N81-R91 PolarHBondContact OD1-NH2 3.44Å; N81-E98 PolarHBondContact ND2-OE2 3.21Å
82K95.1Very high96.8Very high141 Ų14154.6 Ų54.661%0.61332%0.318SS*.G310 helixtrans-61.5-13175.370.6-172.1178.5-1710114.2E79 F80 V135E79-K82 WeakPolarHBondContact O-CE 3.26Å; F80-K82 PolarHBondContact O-N 3.27Å; K82-V135 HydrophobicContact CD-CG1 4.48Å
83L95.8Very high96.7Very high49 Ų4958.1 Ų58.126%0.25735%0.347SS..G310 helixtrans-96.4-10.5177-50-171.5000113F80 N81 P85 A127 V135F80-L83 HydrophobicContact CD1-CB 4.3Å; F80-L83 HydrophobicContact CD2-CD1 4.32Å; F80-L83 HydrophobicContact CE1-CB 4.21Å; F80-L83 HydrophobicContact CE1-CD1 4.42Å; F80-L83 HydrophobicContact CE2-CD1 4.22Å; F80-L83 HydrophobicContact CG-CD1 4.49Å; F80-L83 HydrophobicContact CZ-CD1 4.25Å; F80-L83 WeakPolarHBondContact O-CB 3.36Å; F80-L83 PolarHBondContact O-N 2.89Å; N81-L83 PolarHBondContact O-N 2.63Å; N81-L83 VanDerWaalsContact O-N 3.07Å; L83-P85 WeakPolarHBondContact O-CD 3.43Å; L83-A127 HydrophobicContact CD1-CB 3.87Å; L83-V135 HydrophobicContact CD1-CG1 4.48Å; L83-V135 HydrophobicContact CD1-CG2 3.94Å
84L95.6Very high96.6Very high54 Ų5461.4 Ų61.428%0.28337%0.365SS..SBendtrans-87.1111.2-178.4-59.3179.7000109.2F80 N81 G86 L87 R91F80-L84 HydrophobicContact CD1-CD2 4.16Å; F80-L84 HydrophobicContact CD1-CG 4.31Å; F80-L84 HydrophobicContact CE1-CD2 4.01Å; N81-L84 WeakPolarHBondContact O-CB 3.24Å; N81-L84 PolarHBondContact O-N 3.37Å; L84-G86 PolarHBondContact O-N 3.41Å; L84-L87 HydrophobicContact CB-CB 3.99Å; L84-L87 HydrophobicContact CB-CD2 3.93Å; L84-L87 HydrophobicContact CD1-CD2 3.68Å; L84-L87 HydrophobicContact CG-CD2 4.37Å; L84-L87 WeakPolarHBondContact O-CB 3.47Å; L84-L87 PolarHBondContact O-N 2.96Å; L84-R91 HydrophobicContact CD1-CG 4.11Å
85P94.4Very high96.6Very high134 Ų13462.2 Ų62.287%0.8737%0.368SS*.THydrogen-bonded Turntrans-63.8130.8-172.2-23.135000112.4L83 L87L83-P85 WeakPolarHBondContact O-CD 3.43Å; P85-L87 PolarHBondContact O-N 2.69Å
86G93.8Very high96.6Very high81 Ų8166.7 Ų66.784%0.83539%0.387SS*.THydrogen-bonded Turntrans76.40.2177.300000115.5L84L84-G86 PolarHBondContact O-N 3.41Å
87L95.9Very high96.5Very high56 Ų5667.5 Ų67.529%0.29339%0.391SS..  trans-71.8132177.6-178.860.7000111.7N81 L84 P85 F90 R91N81-L87 HydrophobicContact CB-CD2 3.82Å; L84-L87 HydrophobicContact CB-CB 3.99Å; L84-L87 HydrophobicContact CB-CD2 3.93Å; L84-L87 HydrophobicContact CD1-CD2 3.68Å; L84-L87 HydrophobicContact CG-CD2 4.37Å; L84-L87 WeakPolarHBondContact O-CB 3.47Å; L84-L87 PolarHBondContact O-N 2.96Å; P85-L87 PolarHBondContact O-N 2.69Å; L87-F90 WeakPolarHBondContact CD1-O 3.5Å; L87-R91 HydrophobicContact CD2-CG 3.86Å
88T92.5Very high96.5Very high130 Ų13068 Ų6880%0.79839%0.393SS*.  trans-132.2116.5171.859.10000110.4
89G93.5Very high96.5Very high61 Ų6167.7 Ų67.763%0.62939%0.386SS*.SBendtrans88-141.9-174.400000112
90F97.4Very high96.6Very high96 Ų9667.3 Ų67.342%0.42139%0.386SS..  trans-78.1153.5175.8-60.1-26.2000111.7L87 H92 H95 E98L87-F90 WeakPolarHBondContact CD1-O 3.5Å; F90-H92 PolarHBondContact O-N 2.88Å; F90-H95 HydrophobicContact CB-CB 4.17Å; F90-H95 HydrophobicContact CD2-CB 3.93Å; F90-H95 WeakPolarHBondContact CD2-O 3.28Å; F90-H95 HydrophobicContact CG-CB 4.29Å; F90-E98 WeakPolarHBondContact CA-OE2 3.23Å; F90-E98 HydrophobicContact CB-CG 4.06Å; F90-E98 WeakPolarHBondContact CB-OE1 3.33Å; F90-E98 HydrophobicContact CD1-CB 3.8Å; F90-E98 HydrophobicContact CD1-CG 3.61Å; F90-E98 HydrophobicContact CE1-CB 4.02Å; F90-E98 HydrophobicContact CE1-CG 4.21Å; F90-E98 HydrophobicContact CG-CG 3.86Å
91R97.8Very high96.6Very high63 Ų6369.9 Ų69.924%0.23840%0.395CS..SBendtrans-61.3-28.3177.9-60.4178.3-173.3-1762.2113.1N77 N81 L84 L87 E98 C138N77-R91 PolarHBondContact O-NH2 2.89Å; N81-R91 PolarHBondContact OD1-NE 2.99Å; N81-R91 PolarHBondContact OD1-NH2 3.44Å; L84-R91 HydrophobicContact CD1-CG 4.11Å; L87-R91 HydrophobicContact CD2-CG 3.86Å; R91-E98 VanDerWaalsContact CB-OE1 3.3Å; R91-E98 WeakPolarHBondContact CB-OE1 3.46Å; R91-E98 WeakPolarHBondContact CG-OE1 3.45Å; R91-E98 PolarHBondContact N-OE1 3.15Å; R91-C138 VanDerWaalsContact CZ-O 3.26Å; R91-C138 PolarHBondContact NH1-O 2.87Å; R91-C138 PolarHBondContact NH1-SG 3.22Å; R91-C138 VanDerWaalsContact NH1-SG 3.44Å; R91-C138 PolarHBondContact NH2-O 3.47Å
92H97.3Very high96.7Very high97 Ų9772.6 Ų72.645%0.44942%0.415SS..SBendtrans-136.9146.1177.4-165-107.8000110.9F90 D94 H95F90-H92 PolarHBondContact O-N 2.88Å; H92-D94 VanDerWaalsContact C-N 3.26Å; H92-D94 WeakPolarHBondContact ND1-CB 3.28Å; H92-D94 PolarHBondContact ND1-N 3.24Å; H92-D94 PolarHBondContact O-N 2.86Å; H92-H95 WeakPolarHBondContact CB-NE2 3.46Å; H92-H95 PolarHBondContact O-N 2.7Å
93S96.3Very high96.8Very high121 Ų12169.9 Ų69.985%0.84641%0.405SS*.THydrogen-bonded Turntrans-69.7-21.4-177.551.80000113.8
94D97.3Very high97Very high70 Ų7067.6 Ų67.637%0.37439%0.393SS..THydrogen-bonded Turntrans-87.2-9.5177.7-166.649.7000113.7H49 H92 K96H49-D94 IonicContact CE1-OD2 2.73Å; H49-D94 IonicContact CG-OD2 2.69Å; H49-D94 IonicContact ND1-OD2 3.47Å; H49-D94 PolarHBondContact ND1-OD2 3.27Å; H92-D94 VanDerWaalsContact C-N 3.26Å; H92-D94 WeakPolarHBondContact ND1-CB 3.28Å; H92-D94 PolarHBondContact ND1-N 3.24Å; H92-D94 PolarHBondContact O-N 2.86Å; D94-K96 WeakPolarHBondContact O-CD 3.37Å; D94-K96 VanDerWaalsContact O-CE 3.31Å; D94-K96 WeakPolarHBondContact O-CE 3.43Å; D94-K96 PolarHBondContact O-N 3.22Å; D94-K96 PolarHBondContact O-NZ 3.29Å; D94-K96 IonicContact OD1-NZ 2.86Å; D94-K96 PolarHBondContact OD1-NZ 2.88Å; D94-K96 IonicContact OD2-NZ 3.27Å
95H98.4Very high97.1Very high23 Ų2370.9 Ų70.911%0.10640%0.401CS..  trans-64131.1175.9-64.2171.3000110.8E48 H49 F90 H92 E98E48-H95 CarbonylContact O-C 3.52Å; H49-H95 AromaticContact CE1-CD2 3.76Å; H49-H95 AromaticContact NE2-CD2 3.62Å; H49-H95 AromaticContact NE2-NE2 3.69Å; F90-H95 HydrophobicContact CB-CB 4.17Å; F90-H95 HydrophobicContact CD2-CB 3.93Å; F90-H95 WeakPolarHBondContact CD2-O 3.28Å; F90-H95 HydrophobicContact CG-CB 4.29Å; H92-H95 WeakPolarHBondContact CB-NE2 3.46Å; H92-H95 PolarHBondContact O-N 2.7Å; H95-E98 HydrophobicContact CB-CG 4.31Å; H95-E98 IonicContact CE1-OE1 3.88Å; H95-E98 PolarHBondContact CE1-OE1 3.42Å; H95-E98 IonicContact CG-OE1 3.54Å; H95-E98 IonicContact ND1-OE1 2.69Å; H95-E98 PolarHBondContact ND1-OE1 2.83Å
96K98.2Very high97.3Very high94 Ų9468 Ų6841%0.40938%0.384SS..SBendtrans-86-27176.4-45.4-50.8174.1-142.70111.3E48 H49 L50 D94E48-K96 PolarHBondContact O-N 3.08Å; H49-K96 WeakPolarHBondContact O-CE 3.46Å; H49-K96 WeakPolarHBondContact O-CG 3.48Å; L50-K96 WeakPolarHBondContact O-CB 3.4Å; L50-K96 WeakPolarHBondContact O-CG 3.14Å; D94-K96 WeakPolarHBondContact O-CD 3.37Å; D94-K96 VanDerWaalsContact O-CE 3.31Å; D94-K96 WeakPolarHBondContact O-CE 3.43Å; D94-K96 PolarHBondContact O-N 3.22Å; D94-K96 PolarHBondContact O-NZ 3.29Å; D94-K96 IonicContact OD1-NZ 2.86Å; D94-K96 PolarHBondContact OD1-NZ 2.88Å; D94-K96 IonicContact OD2-NZ 3.27Å
97F98.4Very high97.6Very high20 Ų2065.7 Ų65.79%0.08835%0.351CS..  trans-153.3162.2173.161.1-91.6000110.2I47 E48 L50 L52 L55 W99I47-F97 HydrophobicContact CB-CZ 4.42Å; I47-F97 HydrophobicContact CG1-CZ 4.47Å; I47-F97 WeakPolarHBondContact O-CE1 3.38Å; I47-F97 WeakPolarHBondContact O-CZ 3.46Å; E48-F97 HydrophobicContact CB-CE2 4.42Å; E48-F97 WeakPolarHBondContact CB-O 3.46Å; L50-F97 WeakPolarHBondContact O-CE1 3.37Å; L52-F97 HydrophobicContact CD2-CD1 4.11Å; L52-F97 HydrophobicContact CD2-CE1 4.29Å; L55-F97 HydrophobicContact CD2-CE1 4Å; L55-F97 HydrophobicContact CD2-CZ 3.67Å; F97-W99 AromaticContact CD2-CD1 3.63Å; F97-W99 AromaticContact CD2-CD2 3.7Å; F97-W99 HydrophobicContact CD2-CD2 3.7Å; F97-W99 AromaticContact CD2-CE2 3.68Å; F97-W99 HydrophobicContact CD2-CE3 4.4Å; F97-W99 AromaticContact CD2-CG 3.71Å; F97-W99 HydrophobicContact CD2-CG 3.71Å; F97-W99 HydrophobicContact CD2-CZ2 4.41Å; F97-W99 AromaticContact CD2-NE1 3.56Å; F97-W99 AromaticContact CE2-CD2 3.44Å; F97-W99 HydrophobicContact CE2-CD2 3.44Å; F97-W99 VanDerWaalsContact CE2-CD2 3.44Å; F97-W99 AromaticContact CE2-CE2 3.56Å; F97-W99 AromaticContact CE2-CE3 3.7Å; F97-W99 HydrophobicContact CE2-CE3 3.7Å; F97-W99 AromaticContact CE2-CG 3.92Å; F97-W99 HydrophobicContact CE2-CG 3.92Å; F97-W99 HydrophobicContact CE2-CH2 4.27Å; F97-W99 AromaticContact CE2-CZ2 3.99Å; F97-W99 HydrophobicContact CE2-CZ2 3.99Å; F97-W99 HydrophobicContact CE2-CZ3 4.12Å; F97-W99 AromaticContact CE2-NE1 3.96Å; F97-W99 HydrophobicContact CZ-CD2 4.41Å; F97-W99 HydrophobicContact CZ-CE3 4.47Å; F97-W99 HydrophobicContact CZ-CH2 4.36Å; F97-W99 HydrophobicContact CZ-CZ2 4.23Å; F97-W99 HydrophobicContact CZ-CZ3 4.45Å
98E98.3Very high97.7Very high11 Ų1163 Ų635%0.05134%0.337CS..  trans-136.3110.4164.6-71.4-171.216800109.5P76 S78 N81 F90 R91 H95P76-E98 HydrophobicContact CB-CG 4.4Å; S78-E98 VanDerWaalsContact CB-O 3.28Å; S78-E98 WeakPolarHBondContact CB-O 3.24Å; S78-E98 PolarHBondContact OG-O 3.4Å; N81-E98 PolarHBondContact ND2-OE2 3.21Å; F90-E98 WeakPolarHBondContact CA-OE2 3.23Å; F90-E98 HydrophobicContact CB-CG 4.06Å; F90-E98 WeakPolarHBondContact CB-OE1 3.33Å; F90-E98 HydrophobicContact CD1-CB 3.8Å; F90-E98 HydrophobicContact CD1-CG 3.61Å; F90-E98 HydrophobicContact CE1-CB 4.02Å; F90-E98 HydrophobicContact CE1-CG 4.21Å; F90-E98 HydrophobicContact CG-CG 3.86Å; R91-E98 VanDerWaalsContact CB-OE1 3.3Å; R91-E98 WeakPolarHBondContact CB-OE1 3.46Å; R91-E98 WeakPolarHBondContact CG-OE1 3.45Å; R91-E98 PolarHBondContact N-OE1 3.15Å; H95-E98 HydrophobicContact CB-CG 4.31Å; H95-E98 IonicContact CE1-OE1 3.88Å; H95-E98 PolarHBondContact CE1-OE1 3.42Å; H95-E98 IonicContact CG-OE1 3.54Å; H95-E98 IonicContact ND1-OE1 2.69Å; H95-E98 PolarHBondContact ND1-OE1 2.83Å
99W98.6Very high98Very high32 Ų3261.2 Ų61.212%0.12132%0.322CS..  trans-80146.2-171.9-77.6-24.5000113.4I47 L52 L55 S78 F97 E103 F104 W107 Q140I47-W99 HydrophobicContact CD1-CE3 4.22Å; I47-W99 HydrophobicContact CD1-CZ3 3.9Å; L52-W99 HydrophobicContact CD2-CZ2 4.42Å; L55-W99 HydrophobicContact CD2-CH2 3.31Å; L55-W99 HydrophobicContact CD2-CZ2 3.76Å; L55-W99 HydrophobicContact CD2-CZ3 4.11Å; S78-W99 PolarHBondContact N-O 2.63Å; S78-W99 VanDerWaalsContact OG-C 3.22Å; S78-W99 PolarHBondContact OG-O 3.48Å; F97-W99 AromaticContact CD2-CD1 3.63Å; F97-W99 AromaticContact CD2-CD2 3.7Å; F97-W99 HydrophobicContact CD2-CD2 3.7Å; F97-W99 AromaticContact CD2-CE2 3.68Å; F97-W99 HydrophobicContact CD2-CE3 4.4Å; F97-W99 AromaticContact CD2-CG 3.71Å; F97-W99 HydrophobicContact CD2-CG 3.71Å; F97-W99 HydrophobicContact CD2-CZ2 4.41Å; F97-W99 AromaticContact CD2-NE1 3.56Å; F97-W99 AromaticContact CE2-CD2 3.44Å; F97-W99 HydrophobicContact CE2-CD2 3.44Å; F97-W99 VanDerWaalsContact CE2-CD2 3.44Å; F97-W99 AromaticContact CE2-CE2 3.56Å; F97-W99 AromaticContact CE2-CE3 3.7Å; F97-W99 HydrophobicContact CE2-CE3 3.7Å; F97-W99 AromaticContact CE2-CG 3.92Å; F97-W99 HydrophobicContact CE2-CG 3.92Å; F97-W99 HydrophobicContact CE2-CH2 4.27Å; F97-W99 AromaticContact CE2-CZ2 3.99Å; F97-W99 HydrophobicContact CE2-CZ2 3.99Å; F97-W99 HydrophobicContact CE2-CZ3 4.12Å; F97-W99 AromaticContact CE2-NE1 3.96Å; F97-W99 HydrophobicContact CZ-CD2 4.41Å; F97-W99 HydrophobicContact CZ-CE3 4.47Å; F97-W99 HydrophobicContact CZ-CH2 4.36Å; F97-W99 HydrophobicContact CZ-CZ2 4.23Å; F97-W99 HydrophobicContact CZ-CZ3 4.45Å; W99-E103 WeakPolarHBondContact CA-OE2 3.33Å; W99-E103 HydrophobicContact CB-CB 3.8Å; W99-E103 HydrophobicContact CD2-CB 4.24Å; W99-E103 HydrophobicContact CG-CB 3.65Å; W99-F104 HydrophobicContact CB-CB 4.34Å; W99-F104 HydrophobicContact CE3-CB 4.15Å; W99-F104 HydrophobicContact CE3-CD2 4.05Å; W99-F104 HydrophobicContact CZ3-CD2 4.31Å; W99-W107 HydrophobicContact CH2-CB 3.5Å; W99-W107 AromaticContact CH2-CD1 3.8Å; W99-W107 AromaticContact CH2-CD2 3.94Å; W99-W107 HydrophobicContact CH2-CD2 3.94Å; W99-W107 AromaticContact CH2-CG 3.43Å; W99-W107 HydrophobicContact CH2-CG 3.43Å; W99-W107 VanDerWaalsContact CH2-CG 3.43Å; W99-W107 HydrophobicContact CZ2-CB 4.4Å; W99-W107 HydrophobicContact CZ3-CB 3.69Å; W99-W107 AromaticContact CZ3-CD2 3.75Å; W99-W107 HydrophobicContact CZ3-CD2 3.75Å; W99-W107 AromaticContact CZ3-CE3 3.91Å; W99-W107 HydrophobicContact CZ3-CE3 3.91Å; W99-W107 AromaticContact CZ3-CG 3.65Å; W99-W107 HydrophobicContact CZ3-CG 3.65Å; W99-Q140 PolarHBondContact O-NE2 3.07Å
100N98.6Very high98.3Very high42 Ų4263 Ų6323%0.22531%0.313CS..  trans-77.9174162.768.859.7000110.6S78 E79 S102 E103 F104S78-N100 PolarHBondContact OG-N 2.96Å; E79-N100 HydrophobicContact CG-CB 3.75Å; N100-S102 VanDerWaalsContact C-N 3.25Å; N100-S102 PolarHBondContact O-N 2.75Å; N100-S102 WeakPolarHBondContact OD1-CA 3.37Å; N100-S102 VanDerWaalsContact OD1-CB 3.24Å; N100-S102 WeakPolarHBondContact OD1-CB 3.37Å; N100-S102 PolarHBondContact OD1-N 3.31Å; N100-E103 VanDerWaalsContact CG-OE2 3.31Å; N100-E103 PolarHBondContact N-OE2 3.15Å; N100-E103 WeakPolarHBondContact ND2-CG 3.3Å; N100-E103 PolarHBondContact ND2-OE1 2.7Å; N100-E103 PolarHBondContact ND2-OE2 2.9Å; N100-E103 PolarHBondContact O-N 3.28Å; N100-E103 PolarHBondContact OD1-N 3.35Å; N100-F104 PolarHBondContact O-N 3.1Å; N100-F104 VanDerWaalsContact O-N 3.15Å
101R98.5Very high98.3Very high71 Ų7158.6 Ų58.627%0.26830%0.295SS..Hα-helixtrans-64.3-29.7-177.2-62.6178.1-69.4175.4-6.5112.9E79 R105 E133 S134 V135E79-R101 VanDerWaalsContact CD-NE 3.32Å; E79-R101 VanDerWaalsContact OE1-CB 3.23Å; E79-R101 WeakPolarHBondContact OE1-CB 3.5Å; E79-R101 WeakPolarHBondContact OE1-CG 3.32Å; E79-R101 PolarHBondContact OE1-N 3.29Å; E79-R101 IonicContact OE1-NE 2.7Å; E79-R101 PolarHBondContact OE1-NE 3.02Å; E79-R101 IonicContact OE2-CZ 3.39Å; E79-R101 IonicContact OE2-NE 3.61Å; E79-R101 PolarHBondContact OE2-NE 2.63Å; E79-R101 IonicContact OE2-NH2 2.81Å; E79-R101 PolarHBondContact OE2-NH2 2.76Å; R101-R105 VanDerWaalsContact O-CB 3.26Å; R101-R105 WeakPolarHBondContact O-CB 3.37Å; R101-R105 WeakPolarHBondContact O-CD 3.37Å; R101-R105 WeakPolarHBondContact O-CG 3.35Å; R101-R105 PolarHBondContact O-N 2.85Å; R101-E133 PolarHBondContact NH1-O 3.31Å; R101-E133 PolarHBondContact NH2-O 3.42Å; R101-S134 PolarHBondContact NH2-O 2.84Å; R101-S134 VanDerWaalsContact NH2-O 3.17Å; R101-V135 PolarHBondContact NE-O 3.09Å
102S98.6Very high98.3Very high78 Ų7856.2 Ų56.255%0.54529%0.287SS..Hα-helixtrans-74.7-40.3178-169.30000112N100 S106N100-S102 VanDerWaalsContact C-N 3.25Å; N100-S102 PolarHBondContact O-N 2.75Å; N100-S102 WeakPolarHBondContact OD1-CA 3.37Å; N100-S102 VanDerWaalsContact OD1-CB 3.24Å; N100-S102 WeakPolarHBondContact OD1-CB 3.37Å; N100-S102 PolarHBondContact OD1-N 3.31Å; S102-S106 WeakPolarHBondContact O-CB 3.15Å; S102-S106 PolarHBondContact O-N 2.8Å; S102-S106 PolarHBondContact O-OG 2.86Å
103E98.8Very high98.3Very high85 Ų8558.2 Ų58.240%0.39730%0.301SS..Hα-helixtrans-65.3-51.3178.9-72.3165.5157.100110.9W99 N100 R105 S106 W107W99-E103 WeakPolarHBondContact CA-OE2 3.33Å; W99-E103 HydrophobicContact CB-CB 3.8Å; W99-E103 HydrophobicContact CD2-CB 4.24Å; W99-E103 HydrophobicContact CG-CB 3.65Å; N100-E103 VanDerWaalsContact CG-OE2 3.31Å; N100-E103 PolarHBondContact N-OE2 3.15Å; N100-E103 WeakPolarHBondContact ND2-CG 3.3Å; N100-E103 PolarHBondContact ND2-OE1 2.7Å; N100-E103 PolarHBondContact ND2-OE2 2.9Å; N100-E103 PolarHBondContact O-N 3.28Å; N100-E103 PolarHBondContact OD1-N 3.35Å; E103-R105 PolarHBondContact O-N 2.97Å; E103-S106 PolarHBondContact O-N 2.89Å; E103-S106 VanDerWaalsContact O-N 3.11Å; E103-W107 PolarHBondContact O-N 2.91Å
104F98.8Very high98.3Very high1 Ų157 Ų570%0.00429%0.285CS..Hα-helixtrans-59.4-44.7177.7178.1-115.8000112.4I47 V73 T75 W99 N100 S106 W107 A108 F121 Q140I47-F104 HydrophobicContact CD1-CD2 4.26Å; I47-F104 HydrophobicContact CD1-CE2 4.1Å; V73-F104 HydrophobicContact CG1-CE2 4.44Å; T75-F104 HydrophobicContact CG2-CD2 3.71Å; T75-F104 HydrophobicContact CG2-CE2 3.94Å; T75-F104 HydrophobicContact CG2-CG 4.23Å; W99-F104 HydrophobicContact CB-CB 4.34Å; W99-F104 HydrophobicContact CE3-CB 4.15Å; W99-F104 HydrophobicContact CE3-CD2 4.05Å; W99-F104 HydrophobicContact CZ3-CD2 4.31Å; N100-F104 PolarHBondContact O-N 3.1Å; N100-F104 VanDerWaalsContact O-N 3.15Å; F104-S106 VanDerWaalsContact C-N 3.34Å; F104-S106 PolarHBondContact O-N 2.98Å; F104-W107 HydrophobicContact CD2-CE3 4.02Å; F104-W107 HydrophobicContact CD2-CZ3 4.24Å; F104-W107 AromaticContact CE2-CE3 3.98Å; F104-W107 HydrophobicContact CE2-CE3 3.98Å; F104-W107 AromaticContact CE2-CZ3 3.73Å; F104-W107 HydrophobicContact CE2-CZ3 3.73Å; F104-W107 PolarHBondContact O-N 3.3Å; F104-A108 VanDerWaalsContact O-CB 3.27Å; F104-A108 WeakPolarHBondContact O-CB 3.09Å; F104-A108 PolarHBondContact O-N 3.36Å; F104-F121 HydrophobicContact CD1-CD1 4.26Å; F104-F121 HydrophobicContact CD1-CE1 4.33Å; F104-F121 AromaticContact CE1-CD1 4Å; F104-F121 HydrophobicContact CE1-CD1 4Å; F104-F121 HydrophobicContact CE1-CE1 4.17Å; F104-Q140 HydrophobicContact CD1-CB 4.22Å; F104-Q140 HydrophobicContact CD1-CG 3.86Å; F104-Q140 HydrophobicContact CE1-CB 4.41Å; F104-Q140 HydrophobicContact CE1-CG 4.28Å; F104-Q140 HydrophobicContact CG-CG 4.16Å
105R98.8Very high98.2Very high122 Ų12257.5 Ų57.546%0.4628%0.282SS..Hα-helixtrans-62.2-38.8174.5-76.2174.6178.5-138.3-3.8112.7R101 E103 A108 L109 F121R101-R105 VanDerWaalsContact O-CB 3.26Å; R101-R105 WeakPolarHBondContact O-CB 3.37Å; R101-R105 WeakPolarHBondContact O-CD 3.37Å; R101-R105 WeakPolarHBondContact O-CG 3.35Å; R101-R105 PolarHBondContact O-N 2.85Å; E103-R105 PolarHBondContact O-N 2.97Å; R105-A108 PolarHBondContact O-N 2.89Å; R105-L109 VanDerWaalsContact O-CB 3.32Å; R105-L109 WeakPolarHBondContact O-CB 3.42Å; R105-L109 WeakPolarHBondContact O-CG 3.37Å; R105-L109 PolarHBondContact O-N 3.23Å; R105-F121 HydrophobicContact CB-CE1 4.26Å; R105-F121 HydrophobicContact CB-CZ 4.18Å; R105-F121 HydrophobicContact CG-CD1 3.75Å; R105-F121 HydrophobicContact CG-CD2 4.16Å; R105-F121 HydrophobicContact CG-CE1 3.68Å; R105-F121 HydrophobicContact CG-CE2 4.1Å; R105-F121 HydrophobicContact CG-CG 3.98Å; R105-F121 HydrophobicContact CG-CZ 3.86Å
106S98.8Very high98.1Very high73 Ų7357.9 Ų57.951%0.5129%0.292SS..Hα-helixtrans-66.1-45.6-179.8-59.70000111.3S102 E103 F104 Q110S102-S106 WeakPolarHBondContact O-CB 3.15Å; S102-S106 PolarHBondContact O-N 2.8Å; S102-S106 PolarHBondContact O-OG 2.86Å; E103-S106 PolarHBondContact O-N 2.89Å; E103-S106 VanDerWaalsContact O-N 3.11Å; F104-S106 VanDerWaalsContact C-N 3.34Å; F104-S106 PolarHBondContact O-N 2.98Å; S106-Q110 WeakPolarHBondContact O-CB 3.43Å; S106-Q110 PolarHBondContact O-N 2.9Å; S106-Q110 VanDerWaalsContact O-N 3.09Å
107W98.8Very high98.1Very high34 Ų3453.7 Ų53.713%0.12927%0.274CS..Hα-helixtrans-60.9-50173.4167.178.7000111.8I47 L55 F58 S59 V73 W99 E103 F104 L109 Q110 V111 F144I47-W107 HydrophobicContact CD1-CH2 4.41Å; I47-W107 HydrophobicContact CD1-CZ3 4.19Å; L55-W107 HydrophobicContact CD1-CZ2 4.22Å; F58-W107 HydrophobicContact CD1-CZ2 4.32Å; F58-W107 HydrophobicContact CE1-CH2 4.22Å; F58-W107 HydrophobicContact CE1-CZ2 4.01Å; S59-W107 PolarHBondContact OG-NE1 2.96Å; V73-W107 HydrophobicContact CG1-CH2 4.15Å; V73-W107 HydrophobicContact CG1-CZ3 4.28Å; V73-W107 HydrophobicContact CG2-CH2 4.25Å; W99-W107 HydrophobicContact CH2-CB 3.5Å; W99-W107 AromaticContact CH2-CD1 3.8Å; W99-W107 AromaticContact CH2-CD2 3.94Å; W99-W107 HydrophobicContact CH2-CD2 3.94Å; W99-W107 AromaticContact CH2-CG 3.43Å; W99-W107 HydrophobicContact CH2-CG 3.43Å; W99-W107 VanDerWaalsContact CH2-CG 3.43Å; W99-W107 HydrophobicContact CZ2-CB 4.4Å; W99-W107 HydrophobicContact CZ3-CB 3.69Å; W99-W107 AromaticContact CZ3-CD2 3.75Å; W99-W107 HydrophobicContact CZ3-CD2 3.75Å; W99-W107 AromaticContact CZ3-CE3 3.91Å; W99-W107 HydrophobicContact CZ3-CE3 3.91Å; W99-W107 AromaticContact CZ3-CG 3.65Å; W99-W107 HydrophobicContact CZ3-CG 3.65Å; E103-W107 PolarHBondContact O-N 2.91Å; F104-W107 HydrophobicContact CD2-CE3 4.02Å; F104-W107 HydrophobicContact CD2-CZ3 4.24Å; F104-W107 AromaticContact CE2-CE3 3.98Å; F104-W107 HydrophobicContact CE2-CE3 3.98Å; F104-W107 AromaticContact CE2-CZ3 3.73Å; F104-W107 HydrophobicContact CE2-CZ3 3.73Å; F104-W107 PolarHBondContact O-N 3.3Å; W107-L109 PolarHBondContact O-N 2.69Å; W107-Q110 WeakPolarHBondContact O-CB 3.37Å; W107-Q110 PolarHBondContact O-N 3.17Å; W107-Q110 VanDerWaalsContact O-N 3.11Å; W107-V111 HydrophobicContact CD2-CG2 4.3Å; W107-V111 HydrophobicContact CZ2-CG2 3.94Å; W107-V111 WeakPolarHBondContact O-CG2 3.08Å; W107-V111 PolarHBondContact O-N 2.82Å; W107-F144 HydrophobicContact CH2-CZ 4.31Å; W107-F144 AromaticContact CZ3-CZ 3.93Å; W107-F144 HydrophobicContact CZ3-CZ 3.93Å
108A98.8Very high98Very high0 Ų058.2 Ų58.20%030%0.295CS..Hα-helixtrans-61.1-41.5-178.300000112.6F104 R105 Q110 V111 C112 F121 F144F104-A108 VanDerWaalsContact O-CB 3.27Å; F104-A108 WeakPolarHBondContact O-CB 3.09Å; F104-A108 PolarHBondContact O-N 3.36Å; R105-A108 PolarHBondContact O-N 2.89Å; A108-Q110 VanDerWaalsContact C-N 3.34Å; A108-V111 PolarHBondContact O-N 2.99Å; A108-C112 PolarHBondContact O-N 3.1Å; A108-C112 PolarHBondContact O-SG 3Å; A108-F121 HydrophobicContact CB-CE1 3.55Å; A108-F121 HydrophobicContact CB-CZ 3.65Å; A108-F144 HydrophobicContact CB-CE1 3.77Å; A108-F144 HydrophobicContact CB-CZ 3.57Å
109L98.7Very high98Very high92 Ų9258.9 Ų58.948%0.48230%0.303SS..Hα-helixtrans-67.8-33.3175.9-70.6172.4000112.4R105 W107 C112 L113 F121R105-L109 VanDerWaalsContact O-CB 3.32Å; R105-L109 WeakPolarHBondContact O-CB 3.42Å; R105-L109 WeakPolarHBondContact O-CG 3.37Å; R105-L109 PolarHBondContact O-N 3.23Å; W107-L109 PolarHBondContact O-N 2.69Å; L109-C112 WeakPolarHBondContact O-CB 3.43Å; L109-C112 PolarHBondContact O-N 2.93Å; L109-L113 WeakPolarHBondContact O-CG 3.26Å; L109-L113 PolarHBondContact O-N 3.14Å; L109-L113 VanDerWaalsContact O-N 3.1Å; L109-F121 HydrophobicContact CD2-CE2 4.36Å; L109-F121 HydrophobicContact CG-CE2 4.47Å; L109-F121 HydrophobicContact CG-CZ 4.33Å
110Q98.5Very high98Very high97 Ų9764 Ų6445%0.45333%0.327SS..Hα-helixtrans-66.1-46.1173.3-172.957.550.900111.2S106 W107 A108 C112 L113 D114S106-Q110 WeakPolarHBondContact O-CB 3.43Å; S106-Q110 PolarHBondContact O-N 2.9Å; S106-Q110 VanDerWaalsContact O-N 3.09Å; W107-Q110 WeakPolarHBondContact O-CB 3.37Å; W107-Q110 PolarHBondContact O-N 3.17Å; W107-Q110 VanDerWaalsContact O-N 3.11Å; A108-Q110 VanDerWaalsContact C-N 3.34Å; Q110-C112 VanDerWaalsContact C-N 3.29Å; Q110-C112 PolarHBondContact O-N 3.05Å; Q110-L113 PolarHBondContact O-N 2.82Å; Q110-L113 VanDerWaalsContact O-N 3.12Å; Q110-D114 PolarHBondContact NE2-OD1 3.34Å; Q110-D114 PolarHBondContact NE2-OD2 3.11Å; Q110-D114 PolarHBondContact O-N 2.98Å
111V98.1Very high98.1Very high5 Ų564.3 Ų64.33%0.0333%0.327CS..Hα-helixtrans-56-42.7172.6169.70000111.6F63 W107 A108 L113 D114 Y115 F144F63-V111 HydrophobicContact CB-CG1 4.12Å; F63-V111 HydrophobicContact CD1-CG1 3.59Å; F63-V111 HydrophobicContact CD2-CG1 3.53Å; F63-V111 HydrophobicContact CE1-CG1 3.77Å; F63-V111 HydrophobicContact CE2-CG1 3.72Å; F63-V111 HydrophobicContact CG-CG1 3.46Å; F63-V111 VanDerWaalsContact CG-CG1 3.46Å; F63-V111 HydrophobicContact CZ-CG1 3.83Å; W107-V111 HydrophobicContact CD2-CG2 4.3Å; W107-V111 HydrophobicContact CZ2-CG2 3.94Å; W107-V111 WeakPolarHBondContact O-CG2 3.08Å; W107-V111 PolarHBondContact O-N 2.82Å; A108-V111 PolarHBondContact O-N 2.99Å; V111-L113 PolarHBondContact O-N 2.74Å; V111-D114 PolarHBondContact O-N 2.54Å; V111-Y115 HydrophobicContact CG1-CD2 4.01Å; V111-Y115 WeakPolarHBondContact O-CD2 2.99Å; V111-Y115 PolarHBondContact O-N 2.73Å; V111-F144 HydrophobicContact CB-CE1 4.5Å; V111-F144 HydrophobicContact CG1-CE1 4.25Å
112C97.9Very high98Very high13 Ų1363.9 Ų63.99%0.08833%0.333CS..Hα-helixtrans-58.3-45.8175-74.80000113A108 L109 Q110 G116 Y117 E118 A119A108-C112 PolarHBondContact O-N 3.1Å; A108-C112 PolarHBondContact O-SG 3Å; L109-C112 WeakPolarHBondContact O-CB 3.43Å; L109-C112 PolarHBondContact O-N 2.93Å; Q110-C112 VanDerWaalsContact C-N 3.29Å; Q110-C112 PolarHBondContact O-N 3.05Å; C112-G116 WeakPolarHBondContact O-CA 3.5Å; C112-G116 PolarHBondContact O-N 2.86Å; C112-Y117 WeakPolarHBondContact CA-O 3.3Å; C112-Y117 WeakPolarHBondContact CB-O 3.47Å; C112-Y117 PolarHBondContact O-N 3.41Å; C112-Y117 VanDerWaalsContact O-N 3.1Å; C112-E118 VanDerWaalsContact SG-C 3.59Å; C112-A119 VanDerWaalsContact SG-CB 3.58Å
113L96.9Very high98Very high139 Ų13960.6 Ų60.673%0.72831%0.311SS*.Hα-helixtrans-66.1-42.7178.7-69169.1000112.5L109 Q110 V111L109-L113 WeakPolarHBondContact O-CG 3.26Å; L109-L113 PolarHBondContact O-N 3.14Å; L109-L113 VanDerWaalsContact O-N 3.1Å; Q110-L113 PolarHBondContact O-N 2.82Å; Q110-L113 VanDerWaalsContact O-N 3.12Å; V111-L113 PolarHBondContact O-N 2.74Å
114D96.4Very high98Very high96 Ų9660.6 Ų60.651%0.51332%0.316SS..Hα-helixtrans-75.2-34.7-174.3-67.6-30.5000113Q110 V111Q110-D114 PolarHBondContact NE2-OD1 3.34Å; Q110-D114 PolarHBondContact NE2-OD2 3.11Å; Q110-D114 PolarHBondContact O-N 2.98Å; V111-D114 PolarHBondContact O-N 2.54Å
115Y95.4Very high98Very high80 Ų8062.6 Ų62.631%0.31434%0.338SS..Hα-helixtrans-113.3-2.5-172-57.9-71.9000114.8S60 F63 G64 V111S60-Y115 WeakPolarHBondContact CA-OH 3.42Å; F63-Y115 HydrophobicContact CB-CD1 4.27Å; F63-Y115 HydrophobicContact CB-CD2 3.67Å; F63-Y115 HydrophobicContact CB-CE2 4.42Å; F63-Y115 HydrophobicContact CB-CG 3.59Å; G64-Y115 VanDerWaalsContact CA-CD1 3.42Å; V111-Y115 HydrophobicContact CG1-CD2 4.01Å; V111-Y115 WeakPolarHBondContact O-CD2 2.99Å; V111-Y115 PolarHBondContact O-N 2.73Å
116G95.8Very high97.8Very high30 Ų3064 Ų6431%0.30935%0.349SS..THydrogen-bonded Turntrans77.743.7175.900000113.8C112 L147C112-G116 WeakPolarHBondContact O-CA 3.5Å; C112-G116 PolarHBondContact O-N 2.86Å; G116-L147 WeakPolarHBondContact O-CB 3.39Å; G116-L147 PolarHBondContact O-N 3.07Å
117Y97.8Very high97.7Very high7 Ų761 Ų613%0.02733%0.329CS..EExtended strand (participates in β ladder)trans-111163.8173.3-73.8-105.4000110.7F63 R67 P68 V71 C112 F144 Q145 R146F63-Y117 HydrophobicContact CB-CD2 4.45Å; F63-Y117 HydrophobicContact CB-CE2 4.09Å; F63-Y117 HydrophobicContact CD1-CD1 4.22Å; F63-Y117 AromaticContact CD1-CD2 3.91Å; F63-Y117 HydrophobicContact CD1-CD2 3.91Å; F63-Y117 HydrophobicContact CD1-CE1 4.23Å; F63-Y117 AromaticContact CD1-CE2 3.91Å; F63-Y117 HydrophobicContact CD1-CE2 3.91Å; F63-Y117 HydrophobicContact CD1-CG 4.09Å; R67-Y117 VanDerWaalsContact C-OH 3.25Å; R67-Y117 WeakPolarHBondContact CA-OH 3.35Å; P68-Y117 PolarHBondContact O-OH 3.09Å; V71-Y117 HydrophobicContact CG2-CE1 4.37Å; C112-Y117 WeakPolarHBondContact CA-O 3.3Å; C112-Y117 WeakPolarHBondContact CB-O 3.47Å; C112-Y117 PolarHBondContact O-N 3.41Å; C112-Y117 VanDerWaalsContact O-N 3.1Å; Y117-F144 HydrophobicContact CD1-CB 3.94Å; Y117-Q145 CarbonylContact C-O 3.6Å; Y117-Q145 VanDerWaalsContact CA-O 3.23Å; Y117-Q145 WeakPolarHBondContact CA-O 3.39Å; Y117-Q145 VanDerWaalsContact CD1-C 3.44Å; Y117-Q145 WeakPolarHBondContact CD1-O 3.48Å; Y117-R146 HydrophobicContact CD1-CB 3.99Å; Y117-R146 HydrophobicContact CE1-CB 3.54Å; Y117-R146 HydrophobicContact CE1-CG 4.08Å; Y117-R146 HydrophobicContact CE2-CG 4.18Å
118E98.2Very high97.5Very high114 Ų11463.1 Ų63.153%0.53335%0.347SS..EExtended strand (participates in β ladder)trans-114.1157.8158.162.4-176.8177.600109.5C112 F144 Q145 L147C112-E118 VanDerWaalsContact SG-C 3.59Å; E118-F144 CarbonylContact O-C 3.54Å; E118-F144 WeakPolarHBondContact O-CA 3.33Å; E118-Q145 HydrophobicContact CG-CB 3.97Å; E118-Q145 PolarHBondContact N-O 2.77Å; E118-Q145 PolarHBondContact O-N 3.44Å; E118-L147 HydrophobicContact CB-CD1 4.3Å; E118-L147 HydrophobicContact CB-CD2 3.97Å; E118-L147 HydrophobicContact CB-CG 4.21Å; E118-L147 HydrophobicContact CG-CD2 3.74Å; E118-L147 HydrophobicContact CG-CG 4.27Å
119A98.4Very high97.2Very high26 Ų2672.2 Ų72.222%0.21539%0.39CS..EExtended strand (participates in β ladder)trans-132.9130.2-178.200000112.7C112 F121 V143 F144C112-A119 VanDerWaalsContact SG-CB 3.58Å; A119-F121 HydrophobicContact CB-CE2 4.23Å; A119-F121 HydrophobicContact CB-CZ 4.03Å; A119-V143 WeakPolarHBondContact CA-O 3.48Å; A119-F144 HydrophobicContact CB-CD1 3.83Å; A119-F144 HydrophobicContact CB-CE1 3.97Å; A119-F144 HydrophobicContact CB-CG 4.35Å
120E98.6Very high96.9Very high138 Ų13876.9 Ų76.965%0.64541%0.409SS*.EExtended strand (participates in β ladder)trans-95.4142.5163.9-172.1178.6165.200110G142 V143E120-G142 WeakPolarHBondContact O-CA 3.34Å; E120-V143 PolarHBondContact N-O 3.4Å; E120-V143 PolarHBondContact O-N 2.82Å
121F98.7Very high96.7Very high49 Ų4975.5 Ų75.522%0.21540%0.403CS..EExtended strand (participates in β ladder)trans-115.2118.8-177.7-63.5-78.4000111.5F104 R105 A108 L109 A119 I141F104-F121 HydrophobicContact CD1-CD1 4.26Å; F104-F121 HydrophobicContact CD1-CE1 4.33Å; F104-F121 AromaticContact CE1-CD1 4Å; F104-F121 HydrophobicContact CE1-CD1 4Å; F104-F121 HydrophobicContact CE1-CE1 4.17Å; R105-F121 HydrophobicContact CB-CE1 4.26Å; R105-F121 HydrophobicContact CB-CZ 4.18Å; R105-F121 HydrophobicContact CG-CD1 3.75Å; R105-F121 HydrophobicContact CG-CD2 4.16Å; R105-F121 HydrophobicContact CG-CE1 3.68Å; R105-F121 HydrophobicContact CG-CE2 4.1Å; R105-F121 HydrophobicContact CG-CG 3.98Å; R105-F121 HydrophobicContact CG-CZ 3.86Å; A108-F121 HydrophobicContact CB-CE1 3.55Å; A108-F121 HydrophobicContact CB-CZ 3.65Å; L109-F121 HydrophobicContact CD2-CE2 4.36Å; L109-F121 HydrophobicContact CG-CE2 4.47Å; L109-F121 HydrophobicContact CG-CZ 4.33Å; A119-F121 HydrophobicContact CB-CE2 4.23Å; A119-F121 HydrophobicContact CB-CZ 4.03Å; F121-I141 WeakPolarHBondContact CA-O 3.43Å
122T98.3Very high96.5Very high63 Ų6377.4 Ų77.439%0.38741%0.411SS..EExtended strand (participates in β ladder)trans-136.7-161.8178.9-168.80000110.1I141 V143T122-I141 HydrophobicContact CG2-CB 3.88Å; T122-I141 HydrophobicContact CG2-CG2 4.04Å; T122-I141 PolarHBondContact N-O 2.95Å; T122-I141 PolarHBondContact O-N 3.2Å; T122-V143 HydrophobicContact CG2-CG2 4.46Å
123G98.3Very high96.3Very high9 Ų985.5 Ų85.59%0.09345%0.448CS..EExtended strand (participates in β ladder)trans-179.6-177.6175.500000113.6F137 S139G123-F137 VanDerWaalsContact C-CG 3.46Å; G123-F137 VanDerWaalsContact CA-CD2 3.48Å; G123-S139 CarbonylContact C-O 3.51Å; G123-S139 WeakPolarHBondContact CA-O 3.44Å
124V98.4Very high96.1Very high84 Ų8481.9 Ų81.951%0.50943%0.434SS..EExtended strand (participates in β ladder)trans-135152.7179.1-67.10000111.9C138 S139 I141V124-C138 WeakPolarHBondContact O-CB 3.27Å; V124-C138 PolarHBondContact O-N 3.13Å; V124-C138 VanDerWaalsContact O-N 3.09Å; V124-S139 PolarHBondContact N-O 2.8Å; V124-S139 PolarHBondContact O-N 3.18Å; V124-S139 VanDerWaalsContact O-N 3.09Å; V124-I141 HydrophobicContact CG1-CD1 4.01Å; V124-I141 HydrophobicContact CG2-CD1 4.41Å
125G97.6Very high96.1Very high44 Ų4477.3 Ų77.345%0.45441%0.41SS..SBendtrans76.389-172.700000111F137 C138G125-F137 CarbonylContact O-C 3.58Å; G125-F137 WeakPolarHBondContact O-CA 3.46Å; G125-C138 WeakPolarHBondContact O-CB 3.43Å; G125-C138 PolarHBondContact O-N 3.31Å
126E96.5Very high96.2Very high151 Ų15173.9 Ų73.971%0.70640%0.399SS*.PPolyproline II helixtrans-69.1145.6176.5-65.7-177.2169.200111.5F137E126-F137 HydrophobicContact CG-CD1 4.12Å; E126-F137 HydrophobicContact CG-CE1 3.77Å
127A95.4Very high96.3Very high9 Ų975 Ų757%0.07440%0.395CS..PPolyproline II helixtrans-78.8165168.200000110.4F80 L83 Q129 V135F80-A127 HydrophobicContact CD2-CB 4.3Å; F80-A127 HydrophobicContact CE2-CB 3.65Å; F80-A127 HydrophobicContact CZ-CB 4.39Å; L83-A127 HydrophobicContact CD1-CB 3.87Å; A127-Q129 PolarHBondContact O-N 3.29Å; A127-V135 HydrophobicContact CB-CG2 3.35Å
128P94Very high96.4Very high80 Ų8076 Ų7652%0.51940%0.403SS..PPolyproline II helixtrans-50.9138.8166.1-25.735.6000111.2E130 Q131 Q132P128-E130 PolarHBondContact O-N 3.2Å; P128-Q131 PolarHBondContact O-N 2.59Å; P128-Q132 PolarHBondContact O-N 3.44Å; P128-Q132 VanDerWaalsContact O-N 3.16Å
129Q92.6Very high96.4Very high190 Ų19071.3 Ų71.389%0.88838%0.383SS*.THydrogen-bonded Turntrans-52-38.1-167.1-169176.211.900114.2A127 Q131A127-Q129 PolarHBondContact O-N 3.29Å; Q129-Q131 PolarHBondContact O-N 3.19Å
130E93.9Very high96.4Very high191 Ų19170.6 Ų70.689%0.89338%0.375SS*.THydrogen-bonded Turntrans-63.4-19.6177.8-60.1178.7174.600114.1P128P128-E130 PolarHBondContact O-N 3.2Å
131Q93.2Very high96.4Very high68 Ų6865.4 Ų65.432%0.31835%0.351SS..THydrogen-bonded Turntrans-116.9-14-172.2-56.4-174.522.600112.9P128 Q129 E133 S134 V135P128-Q131 PolarHBondContact O-N 2.59Å; Q129-Q131 PolarHBondContact O-N 3.19Å; Q131-E133 VanDerWaalsContact C-N 3.34Å; Q131-E133 PolarHBondContact O-N 2.72Å; Q131-S134 WeakPolarHBondContact O-CA 3.45Å; Q131-S134 WeakPolarHBondContact O-CB 3.14Å; Q131-S134 PolarHBondContact O-N 3.32Å; Q131-S134 PolarHBondContact O-OG 2.81Å; Q131-V135 WeakPolarHBondContact O-CG2 3.4Å; Q131-V135 PolarHBondContact O-N 3.41Å; Q131-V135 VanDerWaalsContact O-N 3.07Å
132Q94.4Very high96.4Very high44 Ų4463 Ų6321%0.20634%0.341CS..Hα-helixtrans-51-43.6-174.4-179.364.7-4.800113.8P128 S134 G136P128-Q132 PolarHBondContact O-N 3.44Å; P128-Q132 VanDerWaalsContact O-N 3.16Å; Q132-S134 VanDerWaalsContact C-N 3.35Å; Q132-S134 PolarHBondContact O-N 2.69Å; Q132-G136 VanDerWaalsContact O-CA 3.27Å; Q132-G136 WeakPolarHBondContact O-CA 3.49Å; Q132-G136 PolarHBondContact O-N 2.73Å; Q132-G136 PolarHBondContact OE1-O 2.83Å
133E92.8Very high96.5Very high183 Ų18361.8 Ų61.886%0.85533%0.333SS*.Hα-helixtrans-65.2-40.1175.7-62.5-175.7173.100112R101 Q131 V135R101-E133 PolarHBondContact NH1-O 3.31Å; R101-E133 PolarHBondContact NH2-O 3.42Å; Q131-E133 VanDerWaalsContact C-N 3.34Å; Q131-E133 PolarHBondContact O-N 2.72Å; E133-V135 PolarHBondContact O-N 2.83Å
134S94.5Very high96.5Very high64 Ų6461.4 Ų61.445%0.44833%0.329SS..Hα-helixtrans-74.6-20.9-174.680.60000114.7R101 Q131 Q132R101-S134 PolarHBondContact NH2-O 2.84Å; R101-S134 VanDerWaalsContact NH2-O 3.17Å; Q131-S134 WeakPolarHBondContact O-CA 3.45Å; Q131-S134 WeakPolarHBondContact O-CB 3.14Å; Q131-S134 PolarHBondContact O-N 3.32Å; Q131-S134 PolarHBondContact O-OG 2.81Å; Q132-S134 VanDerWaalsContact C-N 3.35Å; Q132-S134 PolarHBondContact O-N 2.69Å
135V96.2Very high96.5Very high0 Ų061.2 Ų61.20%032%0.322CS..Hα-helixtrans-123.2-30.3179.5-60.70000114.2N77 E79 F80 K82 L83 R101 A127 Q131 E133N77-V135 PolarHBondContact ND2-O 2.99Å; E79-V135 WeakPolarHBondContact O-CG1 3.4Å; F80-V135 HydrophobicContact CD2-CG2 4.01Å; F80-V135 HydrophobicContact CE2-CG2 4.49Å; K82-V135 HydrophobicContact CD-CG1 4.48Å; L83-V135 HydrophobicContact CD1-CG1 4.48Å; L83-V135 HydrophobicContact CD1-CG2 3.94Å; R101-V135 PolarHBondContact NE-O 3.09Å; A127-V135 HydrophobicContact CB-CG2 3.35Å; Q131-V135 WeakPolarHBondContact O-CG2 3.4Å; Q131-V135 PolarHBondContact O-N 3.41Å; Q131-V135 VanDerWaalsContact O-N 3.07Å; E133-V135 PolarHBondContact O-N 2.83Å
136G97.2Very high96.4Very high8 Ų862.6 Ų62.68%0.08231%0.314CS..  trans71.4-154.8-16900000113.3F80 Q132F80-G136 WeakPolarHBondContact CD2-O 3.42Å; Q132-G136 VanDerWaalsContact O-CA 3.27Å; Q132-G136 WeakPolarHBondContact O-CA 3.49Å; Q132-G136 PolarHBondContact O-N 2.73Å; Q132-G136 PolarHBondContact OE1-O 2.83Å
137F98.3Very high96.2Very high54 Ų5459.7 Ų59.724%0.23730%0.303CS..  trans-76.8159.6-178.7-63.2-76.5000113.2N77 G123 G125 E126 S139N77-F137 WeakPolarHBondContact CB-O 3.42Å; N77-F137 PolarHBondContact ND2-O 3.3Å; G123-F137 VanDerWaalsContact C-CG 3.46Å; G123-F137 VanDerWaalsContact CA-CD2 3.48Å; G125-F137 CarbonylContact O-C 3.58Å; G125-F137 WeakPolarHBondContact O-CA 3.46Å; E126-F137 HydrophobicContact CG-CD1 4.12Å; E126-F137 HydrophobicContact CG-CE1 3.77Å; F137-S139 WeakPolarHBondContact CB-O 3.46Å
138C98.3Very high95.2Very high27 Ų2764.6 Ų64.618%0.18233%0.328CS..SBendtrans-66.2-48.1177.2-172.40000112.3N77 F80 R91 V124 G125N77-C138 PolarHBondContact N-O 2.81Å; N77-C138 VanDerWaalsContact N-O 3.13Å; F80-C138 HydrophobicContact CD1-CB 3.88Å; F80-C138 HydrophobicContact CD2-CB 4.04Å; F80-C138 HydrophobicContact CE1-CB 3.76Å; F80-C138 HydrophobicContact CE2-CB 3.88Å; F80-C138 HydrophobicContact CG-CB 4.04Å; F80-C138 HydrophobicContact CZ-CB 3.75Å; R91-C138 VanDerWaalsContact CZ-O 3.26Å; R91-C138 PolarHBondContact NH1-O 2.87Å; R91-C138 PolarHBondContact NH1-SG 3.22Å; R91-C138 VanDerWaalsContact NH1-SG 3.44Å; R91-C138 PolarHBondContact NH2-O 3.47Å; V124-C138 WeakPolarHBondContact O-CB 3.27Å; V124-C138 PolarHBondContact O-N 3.13Å; V124-C138 VanDerWaalsContact O-N 3.09Å; G125-C138 WeakPolarHBondContact O-CB 3.43Å; G125-C138 PolarHBondContact O-N 3.31Å
139S98.7Very high93.9Very high16 Ų1666.5 Ų66.511%0.11234%0.338CS..EExtended strand (participates in β ladder)trans-113.9137.2165.1-650000108.9E45 G123 V124 F137E45-S139 PolarHBondContact OE2-OG 2.58Å; G123-S139 CarbonylContact C-O 3.51Å; G123-S139 WeakPolarHBondContact CA-O 3.44Å; V124-S139 PolarHBondContact N-O 2.8Å; V124-S139 PolarHBondContact O-N 3.18Å; V124-S139 VanDerWaalsContact O-N 3.09Å; F137-S139 WeakPolarHBondContact CB-O 3.46Å
140Q98.8Very high92.4Very high11 Ų1162.5 Ų62.55%0.05132%0.322CS..EExtended strand (participates in β ladder)trans-100.1143.2-178.553-174.6-21.600109.8S74 T75 P76 N77 W99 F104S74-Q140 WeakPolarHBondContact CA-O 3.47Å; T75-Q140 HydrophobicContact CG2-CG 3.8Å; T75-Q140 PolarHBondContact N-O 2.87Å; T75-Q140 VanDerWaalsContact N-O 3.1Å; T75-Q140 VanDerWaalsContact O-CG 3.3Å; T75-Q140 WeakPolarHBondContact O-CG 3.34Å; T75-Q140 PolarHBondContact O-N 3.48Å; P76-Q140 PolarHBondContact O-NE2 2.71Å; N77-Q140 HydrophobicContact CB-CB 4.32Å; N77-Q140 HydrophobicContact CB-CG 4.11Å; W99-Q140 PolarHBondContact O-NE2 3.07Å; F104-Q140 HydrophobicContact CD1-CB 4.22Å; F104-Q140 HydrophobicContact CD1-CG 3.86Å; F104-Q140 HydrophobicContact CE1-CB 4.41Å; F104-Q140 HydrophobicContact CE1-CG 4.28Å; F104-Q140 HydrophobicContact CG-CG 4.16Å
141I98.9Very high90.9Very high28 Ų2858.4 Ų58.414%0.14431%0.311CS..EExtended strand (participates in β ladder)trans-129.1131.2-172.2-60.9173.2000109.2I72 V73 F121 T122 V124 V143I72-I141 HydrophobicContact CG2-CG2 3.87Å; V73-I141 WeakPolarHBondContact O-CA 3.39Å; F121-I141 WeakPolarHBondContact CA-O 3.43Å; T122-I141 HydrophobicContact CG2-CB 3.88Å; T122-I141 HydrophobicContact CG2-CG2 4.04Å; T122-I141 PolarHBondContact N-O 2.95Å; T122-I141 PolarHBondContact O-N 3.2Å; V124-I141 HydrophobicContact CG1-CD1 4.01Å; V124-I141 HydrophobicContact CG2-CD1 4.41Å; I141-V143 HydrophobicContact CG2-CG2 4.05Å
142G98.9Very high89.6Confident0 Ų060 Ų600%032%0.323CS..EExtended strand (participates in β ladder)trans-106.5121.5167.600000109.4V73 E120 F144V73-G142 PolarHBondContact N-O 3.09Å; V73-G142 PolarHBondContact O-N 3.09Å; E120-G142 WeakPolarHBondContact O-CA 3.34Å; G142-F144 WeakPolarHBondContact O-CD2 3.47Å
143V98.8Very high88.3Confident37 Ų3765.7 Ų65.722%0.22434%0.342CS..EExtended strand (participates in β ladder)trans-104.8108.9173.5-177.10000107.6I72 A119 E120 T122 I141I72-V143 HydrophobicContact CG1-CG1 4.5Å; A119-V143 WeakPolarHBondContact CA-O 3.48Å; E120-V143 PolarHBondContact N-O 3.4Å; E120-V143 PolarHBondContact O-N 2.82Å; T122-V143 HydrophobicContact CG2-CG2 4.46Å; I141-V143 HydrophobicContact CG2-CG2 4.05Å
144F98.8Very high87.1Confident0 Ų065.8 Ų65.80%035%0.348CS..EExtended strand (participates in β ladder)trans-99.9133.5-175-58.2-105.1000110.5F63 S70 V71 V73 W107 A108 V111 Y117 E118 A119 G142F63-F144 HydrophobicContact CE1-CB 3.85Å; F63-F144 AromaticContact CE1-CD1 3.68Å; F63-F144 HydrophobicContact CE1-CD1 3.68Å; F63-F144 HydrophobicContact CE1-CD2 4.07Å; F63-F144 HydrophobicContact CE1-CE1 4.19Å; F63-F144 AromaticContact CE1-CG 3.61Å; F63-F144 HydrophobicContact CE1-CG 3.61Å; F63-F144 HydrophobicContact CZ-CD1 4.11Å; F63-F144 HydrophobicContact CZ-CD2 4.03Å; F63-F144 HydrophobicContact CZ-CE1 4.21Å; F63-F144 HydrophobicContact CZ-CE2 4.15Å; F63-F144 HydrophobicContact CZ-CG 4.03Å; F63-F144 HydrophobicContact CZ-CZ 4.22Å; S70-F144 CarbonylContact C-O 3.54Å; S70-F144 VanDerWaalsContact CA-O 3.24Å; S70-F144 WeakPolarHBondContact CA-O 3.38Å; V71-F144 HydrophobicContact CB-CB 4.13Å; V71-F144 HydrophobicContact CB-CD2 4.33Å; V71-F144 PolarHBondContact N-O 2.93Å; V71-F144 PolarHBondContact O-N 3.4Å; V73-F144 HydrophobicContact CB-CE2 4.07Å; V73-F144 HydrophobicContact CG2-CD2 4.27Å; V73-F144 HydrophobicContact CG2-CE2 3.78Å; W107-F144 HydrophobicContact CH2-CZ 4.31Å; W107-F144 AromaticContact CZ3-CZ 3.93Å; W107-F144 HydrophobicContact CZ3-CZ 3.93Å; A108-F144 HydrophobicContact CB-CE1 3.77Å; A108-F144 HydrophobicContact CB-CZ 3.57Å; V111-F144 HydrophobicContact CB-CE1 4.5Å; V111-F144 HydrophobicContact CG1-CE1 4.25Å; Y117-F144 HydrophobicContact CD1-CB 3.94Å; E118-F144 CarbonylContact O-C 3.54Å; E118-F144 WeakPolarHBondContact O-CA 3.33Å; A119-F144 HydrophobicContact CB-CD1 3.83Å; A119-F144 HydrophobicContact CB-CE1 3.97Å; A119-F144 HydrophobicContact CB-CG 4.35Å; G142-F144 WeakPolarHBondContact O-CD2 3.47Å
145Q98.3Very high86.2Confident81 Ų8165.4 Ų65.438%0.37934%0.34SS..EExtended strand (participates in β ladder)trans-119.6133.7175.9-66.8-65-5.600110.7A69 S70 Y117 E118 L147A69-Q145 PolarHBondContact O-OE1 3.27Å; S70-Q145 VanDerWaalsContact OG-CD 3.28Å; S70-Q145 PolarHBondContact OG-NE2 2.88Å; S70-Q145 VanDerWaalsContact OG-NE2 3.15Å; S70-Q145 PolarHBondContact OG-OE1 3.04Å; Y117-Q145 CarbonylContact C-O 3.6Å; Y117-Q145 VanDerWaalsContact CA-O 3.23Å; Y117-Q145 WeakPolarHBondContact CA-O 3.39Å; Y117-Q145 VanDerWaalsContact CD1-C 3.44Å; Y117-Q145 WeakPolarHBondContact CD1-O 3.48Å; E118-Q145 HydrophobicContact CG-CB 3.97Å; E118-Q145 PolarHBondContact N-O 2.77Å; E118-Q145 PolarHBondContact O-N 3.44Å; Q145-L147 PolarHBondContact O-N 3.25Å
146R95.8Very high85.5Confident73 Ų7373.4 Ų73.428%0.27538%0.377SS..EExtended strand (participates in β ladder)trans-78.7114.9-176.5-168.9177.962.4177.5-0.9110.9R67 A69 Y117 N148R67-R146 PolarHBondContact O-NH1 3.04Å; A69-R146 WeakPolarHBondContact O-CB 3.4Å; A69-R146 PolarHBondContact O-N 2.88Å; Y117-R146 HydrophobicContact CD1-CB 3.99Å; Y117-R146 HydrophobicContact CE1-CB 3.54Å; Y117-R146 HydrophobicContact CE1-CG 4.08Å; Y117-R146 HydrophobicContact CE2-CG 4.18Å; R146-N148 PolarHBondContact O-N 2.96Å
147L92.4Very high85.1Confident89 Ų8978.8 Ų78.847%0.46640%0.4SS..  trans-72.1-29.6-172.4-70.2172.2000114.5G116 E118 Q145G116-L147 WeakPolarHBondContact O-CB 3.39Å; G116-L147 PolarHBondContact O-N 3.07Å; E118-L147 HydrophobicContact CB-CD1 4.3Å; E118-L147 HydrophobicContact CB-CD2 3.97Å; E118-L147 HydrophobicContact CB-CG 4.21Å; E118-L147 HydrophobicContact CG-CD2 3.74Å; E118-L147 HydrophobicContact CG-CG 4.27Å; Q145-L147 PolarHBondContact O-N 3.25Å
148N74.4Confident84.8Confident113 Ų11379.1 Ų79.160%0.60441%0.406SS*.  trans-139.4132.7-175.4-75.9-68000112.6R146 L150R146-N148 PolarHBondContact O-N 2.96Å; N148-L150 VanDerWaalsContact C-N 3.27Å; N148-L150 PolarHBondContact O-N 2.91Å; N148-L150 VanDerWaalsContact O-N 3.08Å
149V66Low84.6Confident120 Ų12083.4 Ų83.473%0.72742%0.422SS*.  trans-83.274.9166-169.50000108.8
150L62Low84.5Confident106 Ų10684.8 Ų84.856%0.55543%0.432SS*.PPolyproline II helixtrans-63141.1160.8-67.7177.1000108.3R67 N148R67-L150 PolarHBondContact NH2-O 3.02Å; N148-L150 VanDerWaalsContact C-N 3.27Å; N148-L150 PolarHBondContact O-N 2.91Å; N148-L150 VanDerWaalsContact O-N 3.08Å
151P62.9Low84.5Confident104 Ų10485.7 Ų85.768%0.67544%0.435SS*.PPolyproline II helixtrans-53.8156178.123.5-33.8000111R67R67-P151 PolarHBondContact NH1-O 3.31Å; R67-P151 VanDerWaalsContact NH1-O 3.12Å
152D64.8Low84.5Confident103 Ų10388.5 Ų88.555%0.55145%0.453SS*.PPolyproline II helixtrans-64.3145.2174.2-153.311.3000109.6R36 R67R36-D152 IonicContact NH1-OD2 3.67Å; R36-D152 PolarHBondContact NH1-OD2 3.37Å; R67-D152 IonicContact NH1-OD1 3.62Å
153R68.5Low84.4Confident163 Ų16392.3 Ų92.362%0.61547%0.473SS*.PPolyproline II helixtrans-90.4142.6176.9-65.2-179.4-168.3-118.45.9107.3E155R153-E155 HydrophobicContact CB-CG 3.93Å; R153-E155 PolarHBondContact O-N 3.32Å
154D67.1Low84.4Confident184 Ų18494.6 Ų94.698%0.98449%0.487SS*.  trans-6782.3167.4-73.4-41.8000108.7
155E75.8Confident84.3Confident57 Ų5798.4 Ų98.427%0.26650%0.502SS..  trans-100.4148.4174-68.1-165.5-142.900110.6R31 Y65 R153 E157R31-E155 IonicContact CZ-OE2 3.19Å; R31-E155 IonicContact NH1-OE2 2.69Å; R31-E155 PolarHBondContact NH1-OE2 3.47Å; R31-E155 IonicContact NH2-OE2 2.89Å; Y65-E155 HydrophobicContact CE2-CB 4.38Å; R153-E155 HydrophobicContact CB-CG 3.93Å; R153-E155 PolarHBondContact O-N 3.32Å; E155-E157 PolarHBondContact O-N 3.34Å
156E80.8Confident84.2Confident168 Ų16897.1 Ų97.179%0.78550%0.502SS*.  trans-64.5128.2-177.7-173.5171.3-162.900111.3V158E156-V158 PolarHBondContact O-N 3.16Å; E156-V158 VanDerWaalsContact O-N 3.1Å
157E87.9Confident84.2Confident121 Ų12194.7 Ų94.757%0.56550%0.495SS*.  trans-77.199.4-178.8-60.8-160.2143.700111.2A33 R36 E155 F159A33-E157 HydrophobicContact CB-CB 3.96Å; A33-E157 HydrophobicContact CB-CG 4.26Å; R36-E157 IonicContact NH2-OE1 3.23Å; R36-E157 PolarHBondContact NH2-OE1 2.69Å; E155-E157 PolarHBondContact O-N 3.34Å; E157-F159 HydrophobicContact CB-CE2 3.87Å; E157-F159 HydrophobicContact CB-CZ 4.12Å
158V92.3Very high84.3Confident60 Ų6094.7 Ų94.736%0.36450%0.496SS..  trans-98.1136.8174.2-173.80000109.6D32 A33 E156 S160D32-V158 CarbonylContact C-O 3.42Å; D32-V158 VanDerWaalsContact CA-O 3.31Å; D32-V158 WeakPolarHBondContact CA-O 3.49Å; A33-V158 PolarHBondContact N-O 3.21Å; E156-V158 PolarHBondContact O-N 3.16Å; E156-V158 VanDerWaalsContact O-N 3.1Å; V158-S160 WeakPolarHBondContact CG1-OG 3.33Å
159F95.6Very high85.3Confident118 Ų11891.5 Ų91.552%0.51848%0.475SS..BIsolated β-bridgetrans-119.780.4177.4-59.4-86.1000109.4D32 A33 R34 E157D32-F159 WeakPolarHBondContact OD2-CA 3.44Å; A33-F159 HydrophobicContact CB-CD1 4.35Å; A33-F159 HydrophobicContact CB-CE1 3.84Å; A33-F159 HydrophobicContact CB-CZ 3.96Å; R34-F159 HydrophobicContact CG-CD1 4.02Å; R34-F159 HydrophobicContact CG-CE1 3.97Å; E157-F159 HydrophobicContact CB-CE2 3.87Å; E157-F159 HydrophobicContact CB-CZ 4.12Å
160S96.4Very high86.7Confident45 Ų4586.4 Ų86.432%0.31545%0.445SS..  trans-80.6-24.6-174.5-54.50000113.5R31 D32 V158R31-S160 WeakPolarHBondContact O-CB 3.37Å; R31-S160 PolarHBondContact O-OG 3.05Å; D32-S160 PolarHBondContact OD2-N 2.82Å; V158-S160 WeakPolarHBondContact CG1-OG 3.33Å
161Y98.1Very high88.3Confident30 Ų3082 Ų8212%0.11842%0.423CS..PPolyproline II helixtrans-91.2144.3-169.3-72.622.1000112.5Y24 Q25 S27 Q30 D32 R34 L35Y24-Y161 HydrophobicContact CG-CD2 4.21Å; Q25-Y161 WeakPolarHBondContact O-CA 3.31Å; S27-Y161 VanDerWaalsContact C-OH 3.31Å; S27-Y161 WeakPolarHBondContact O-CE1 3.2Å; S27-Y161 PolarHBondContact O-OH 3.28Å; Q30-Y161 HydrophobicContact CB-CE1 4.26Å; D32-Y161 HydrophobicContact CB-CD1 4.05Å; D32-Y161 HydrophobicContact CB-CE1 4.34Å; D32-Y161 HydrophobicContact CB-CG 4.16Å; D32-Y161 WeakPolarHBondContact OD2-CB 3.45Å; D32-Y161 PolarHBondContact OD2-N 3.37Å; R34-Y161 PolarHBondContact NH2-O 2.92Å; L35-Y161 HydrophobicContact CD1-CD2 3.86Å; L35-Y161 HydrophobicContact CD1-CE2 3.34Å
162T98.3Very high89.8Confident87 Ų8777.9 Ų77.953%0.53440%0.395SS..EExtended strand (participates in β ladder)trans-92.3125.8172.3-60.10000109.6Y24 Q25 V164Y24-T162 CarbonylContact C-O 3.57Å; Y24-T162 WeakPolarHBondContact CA-O 3.26Å; Q25-T162 PolarHBondContact N-O 3.42Å; Q25-T162 PolarHBondContact O-N 3.4Å; T162-V164 PolarHBondContact O-N 3.33Å
163L97.8Very high91.1Very high79 Ų7981.2 Ų81.241%0.41440%0.4SS..EExtended strand (participates in β ladder)trans-72.2121.2171.5-178.364.7000109.2D22 Y24 Y165D22-L163 HydrophobicContact CB-CD1 3.9Å; Y24-L163 HydrophobicContact CD1-CB 4.15Å; Y24-L163 HydrophobicContact CD1-CD1 4.12Å; Y24-L163 HydrophobicContact CE1-CB 3.8Å; Y24-L163 HydrophobicContact CE1-CD1 3.63Å; Y24-L163 HydrophobicContact CE1-CG 4.29Å; Y24-L163 HydrophobicContact CE2-CD1 4.28Å; L163-Y165 WeakPolarHBondContact CD1-O 3.46Å
164V97.8Very high92.3Very high86 Ų8676.2 Ų76.252%0.52139%0.385SS..EExtended strand (participates in β ladder)trans-100-39.3-177.8179.40000111.2L23 Q25 T162L23-V164 HydrophobicContact CD2-CG1 4.44Å; L23-V164 HydrophobicContact CG-CB 4.48Å; L23-V164 PolarHBondContact O-N 3.25Å; Q25-V164 HydrophobicContact CB-CG2 3.66Å; T162-V164 PolarHBondContact O-N 3.33Å
165Y97.2Very high93.4Very high79 Ų7973.2 Ų73.231%0.3137%0.369SS..EExtended strand (participates in β ladder)trans-148.9144.8-179.4-179.8-99.5000109.6L4 A5 D22 L23 L163 V167L4-Y165 HydrophobicContact CB-CD1 3.96Å; L4-Y165 HydrophobicContact CB-CE1 3.56Å; L4-Y165 HydrophobicContact CD1-CD1 3.97Å; L4-Y165 HydrophobicContact CD1-CE1 4.43Å; A5-Y165 WeakPolarHBondContact CA-OH 3.28Å; A5-Y165 WeakPolarHBondContact CB-OH 3.49Å; D22-Y165 CarbonylContact C-O 3.55Å; D22-Y165 WeakPolarHBondContact CA-O 3.3Å; L23-Y165 PolarHBondContact N-O 3.39Å; L23-Y165 PolarHBondContact O-N 3.47Å; L163-Y165 WeakPolarHBondContact CD1-O 3.46Å; Y165-V167 HydrophobicContact CE1-CB 3.78Å; Y165-V167 HydrophobicContact CE1-CG1 3.55Å
166S96.8Very high94.2Very high55 Ų5575.7 Ų75.739%0.38538%0.384SS..EExtended strand (participates in β ladder)trans-146.9135.3177-172.90000109.1H20 I21 D22H20-S166 PolarHBondContact CE1-OG 2.89Å; I21-S166 CarbonylContact O-C 3.5Å; I21-S166 WeakPolarHBondContact O-CA 3.31Å; D22-S166 WeakPolarHBondContact OD1-CB 3.42Å; D22-S166 PolarHBondContact OD1-OG 3.3Å
167V96Very high94.8Very high22 Ų2268.5 Ų68.513%0.13335%0.352CS..EExtended strand (participates in β ladder)trans-147.5142.5178.269.40000112.1L4 P6 H20 I21 Y165 Y169L4-V167 WeakPolarHBondContact O-CG1 3.4Å; P6-V167 HydrophobicContact CG-CG2 4.14Å; H20-V167 WeakPolarHBondContact CA-O 3.4Å; H20-V167 PolarHBondContact ND1-O 3.37Å; I21-V167 HydrophobicContact CB-CG1 4Å; I21-V167 PolarHBondContact N-O 3.16Å; I21-V167 PolarHBondContact O-N 3.44Å; Y165-V167 HydrophobicContact CE1-CB 3.78Å; Y165-V167 HydrophobicContact CE1-CG1 3.55Å; V167-Y169 HydrophobicContact CG1-CD2 4.4Å; V167-Y169 HydrophobicContact CG1-CE2 4.08Å
168N94.2Very high95.1Very high88 Ų8863.9 Ų63.947%0.47133%0.331SS..EExtended strand (participates in β ladder)trans-102128.7167-70.4-71.1000108.5Q18 H20Q18-N168 PolarHBondContact NE2-OD1 2.88Å; H20-N168 PolarHBondContact ND1-OD1 2.87Å
169Y94.9Very high95.2Very high46 Ų4662.8 Ų62.818%0.1832%0.323CS..PPolyproline II helixtrans-73.5149.6172-84.7-115.7000110.5L4 P6 D10 L19 I21 V167 T171L4-Y169 PolarHBondContact O-OH 3.36Å; P6-Y169 HydrophobicContact CB-CD1 3.92Å; P6-Y169 HydrophobicContact CB-CE1 3.87Å; P6-Y169 HydrophobicContact CB-CG 4.37Å; P6-Y169 HydrophobicContact CG-CD1 3.87Å; P6-Y169 HydrophobicContact CG-CD2 3.86Å; P6-Y169 HydrophobicContact CG-CE1 3.95Å; P6-Y169 HydrophobicContact CG-CE2 3.91Å; P6-Y169 HydrophobicContact CG-CG 3.83Å; D10-Y169 HydrophobicContact CB-CD1 4.38Å; D10-Y169 WeakPolarHBondContact OD2-CE1 3.34Å; L19-Y169 HydrophobicContact CB-CD2 4.31Å; L19-Y169 HydrophobicContact CB-CG 4.11Å; L19-Y169 HydrophobicContact CD2-CD1 3.99Å; L19-Y169 HydrophobicContact CD2-CD2 3.84Å; L19-Y169 HydrophobicContact CD2-CE1 4.14Å; L19-Y169 HydrophobicContact CD2-CE2 4.02Å; L19-Y169 HydrophobicContact CD2-CG 3.85Å; L19-Y169 HydrophobicContact CG-CD2 3.85Å; L19-Y169 HydrophobicContact CG-CE2 4.34Å; L19-Y169 HydrophobicContact CG-CG 4.05Å; L19-Y169 PolarHBondContact O-N 2.73Å; I21-Y169 HydrophobicContact CD1-CD2 4.38Å; I21-Y169 HydrophobicContact CD1-CE2 3.49Å; I21-Y169 VanDerWaalsContact CD1-CE2 3.49Å; I21-Y169 HydrophobicContact CG1-CD2 4.42Å; I21-Y169 HydrophobicContact CG1-CE2 3.95Å; V167-Y169 HydrophobicContact CG1-CD2 4.4Å; V167-Y169 HydrophobicContact CG1-CE2 4.08Å; Y169-T171 PolarHBondContact O-N 3.08Å
170P94.9Very high95.1Very high13 Ų1363.9 Ų63.98%0.08432%0.323CS..PPolyproline II helixtrans-60136.2173.227.5-36000110.4D10 Y11 P14 T177D10-P170 VanDerWaalsContact C-CG 3.48Å; D10-P170 HydrophobicContact CB-CG 4.02Å; D10-P170 VanDerWaalsContact O-CG 3.23Å; D10-P170 WeakPolarHBondContact O-CG 3.33Å; Y11-P170 HydrophobicContact CD1-CB 3.67Å; Y11-P170 HydrophobicContact CD1-CG 3.68Å; Y11-P170 HydrophobicContact CD2-CG 4.5Å; Y11-P170 HydrophobicContact CE1-CB 3.96Å; Y11-P170 HydrophobicContact CE1-CG 3.92Å; Y11-P170 HydrophobicContact CG-CB 4.39Å; Y11-P170 HydrophobicContact CG-CG 4Å; P14-P170 HydrophobicContact CB-CB 4.09Å; P14-P170 HydrophobicContact CB-CG 4.35Å; P14-P170 VanDerWaalsContact CB-O 3.24Å; P14-P170 WeakPolarHBondContact CB-O 3.24Å; P170-T177 HydrophobicContact CB-CG2 3.85Å
171T95.5Very high95Very high14 Ų1462 Ų629%0.08631%0.31CS..BIsolated β-bridgetrans-136.1143.5-179.8178.10000111T15 D17 Y169 R173 D174 T177T15-T171 CarbonylContact O-C 3.59Å; T15-T171 VanDerWaalsContact O-CA 3.31Å; T15-T171 WeakPolarHBondContact O-CA 3.33Å; T15-T171 PolarHBondContact O-OG1 2.78Å; T15-T171 VanDerWaalsContact O-OG1 3.08Å; D17-T171 PolarHBondContact O-OG1 3.17Å; Y169-T171 PolarHBondContact O-N 3.08Å; T171-R173 HydrophobicContact CG2-CB 4.3Å; T171-R173 PolarHBondContact O-N 3.41Å; T171-R173 VanDerWaalsContact O-N 3.16Å; T171-R173 PolarHBondContact OG1-N 3.26Å; T171-D174 HydrophobicContact CG2-CB 4.36Å; T171-D174 PolarHBondContact O-N 3.04Å; T171-T177 WeakPolarHBondContact O-CB 3.28Å; T171-T177 WeakPolarHBondContact O-CG2 3.3Å
172L94.7Very high94.9Very high18 Ų1860.5 Ų60.59%0.09430%0.304CS..THydrogen-bonded Turntrans-67.2-8175.5-68.2175.7000113.6P14 T15 Y16 D174 L178 V181 L271P14-L172 HydrophobicContact CB-CG 4.47Å; P14-L172 HydrophobicContact CG-CD2 3.8Å; P14-L172 HydrophobicContact CG-CG 4.02Å; P14-L172 WeakPolarHBondContact O-CD1 3.38Å; P14-L172 WeakPolarHBondContact O-CG 3.23Å; T15-L172 PolarHBondContact O-N 3.25Å; Y16-L172 HydrophobicContact CD1-CB 3.61Å; Y16-L172 HydrophobicContact CD2-CD1 4.04Å; Y16-L172 HydrophobicContact CE1-CB 3.55Å; Y16-L172 HydrophobicContact CE1-CD1 4.17Å; Y16-L172 HydrophobicContact CE2-CB 4.48Å; Y16-L172 HydrophobicContact CE2-CD1 3.67Å; Y16-L172 HydrophobicContact CG-CB 4.12Å; Y16-L172 HydrophobicContact CG-CD1 4.44Å; L172-D174 VanDerWaalsContact C-N 3.33Å; L172-L178 HydrophobicContact CD2-CB 4.43Å; L172-V181 HydrophobicContact CD2-CB 4.47Å; L172-V181 HydrophobicContact CD2-CG2 4.41Å; L172-L271 HydrophobicContact CD1-CD2 3.91Å; L172-L271 HydrophobicContact CD2-CD2 3.67Å; L172-L271 HydrophobicContact CG-CD2 4.39Å
173R92.4Very high94.7Very high173 Ų17356.6 Ų56.665%0.65328%0.28SS*.THydrogen-bonded Turntrans-74.9-21.7168.4-63.1-171.4-166.5-17911.9113.2Y16 D17 T171Y16-R173 WeakPolarHBondContact O-CD 3.4Å; Y16-R173 WeakPolarHBondContact O-CG 3.35Å; Y16-R173 PolarHBondContact O-NE 2.94Å; Y16-R173 PolarHBondContact O-NH2 2.68Å; D17-R173 IonicContact OD1-NH2 3.89Å; D17-R173 PolarHBondContact OD1-NH2 2.91Å; T171-R173 HydrophobicContact CG2-CB 4.3Å; T171-R173 PolarHBondContact O-N 3.41Å; T171-R173 VanDerWaalsContact O-N 3.16Å; T171-R173 PolarHBondContact OG1-N 3.26Å
174D93Very high94.5Very high58 Ų5855.5 Ų55.531%0.3128%0.279SS..SBendtrans-81.7123.6171.3165.6-120.3000109.9T171 L172 N176 T177 L178T171-D174 HydrophobicContact CG2-CB 4.36Å; T171-D174 PolarHBondContact O-N 3.04Å; L172-D174 VanDerWaalsContact C-N 3.33Å; D174-N176 PolarHBondContact O-N 2.99Å; D174-N176 WeakPolarHBondContact OD1-CB 3.35Å; D174-N176 PolarHBondContact OD1-N 2.89Å; D174-N176 PolarHBondContact OD2-N 2.76Å; D174-N176 PolarHBondContact OD2-ND2 3.06Å; D174-T177 PolarHBondContact O-N 3.39Å; D174-T177 VanDerWaalsContact OD1-CB 3.28Å; D174-T177 WeakPolarHBondContact OD1-CB 3.46Å; D174-T177 PolarHBondContact OD1-N 3.43Å; D174-T177 PolarHBondContact OD1-OG1 2.8Å; D174-L178 WeakPolarHBondContact O-CB 3.25Å; D174-L178 PolarHBondContact O-N 2.77Å
175N91.8Very high94.4Very high120 Ų12053.2 Ų53.264%0.64226%0.262SS*.Hα-helixtrans-60.3-34-178.1-71.9-39.7000112.5L179N175-L179 VanDerWaalsContact O-CB 3.26Å; N175-L179 WeakPolarHBondContact O-CB 3.42Å; N175-L179 WeakPolarHBondContact O-CG 3.29Å; N175-L179 PolarHBondContact O-N 3.41Å
176N92Very high94.3Very high110 Ų11049.4 Ų49.459%0.58825%0.248SC*.Hα-helixtrans-71.5-42.3-179.5-56.7-64.4000111.1D174 L179 R180D174-N176 PolarHBondContact O-N 2.99Å; D174-N176 WeakPolarHBondContact OD1-CB 3.35Å; D174-N176 PolarHBondContact OD1-N 2.89Å; D174-N176 PolarHBondContact OD2-N 2.76Å; D174-N176 PolarHBondContact OD2-ND2 3.06Å; N176-L179 PolarHBondContact O-N 3.28Å; N176-R180 WeakPolarHBondContact O-CB 3.42Å; N176-R180 VanDerWaalsContact O-CG 3.31Å; N176-R180 WeakPolarHBondContact O-CG 3.45Å; N176-R180 PolarHBondContact O-N 3.42Å
177T93.6Very high94.2Very high16 Ų1649.3 Ų49.310%0.09824%0.243CC..Hα-helixtrans-62.7-49174.6-610000111P14 P170 T171 D174 L179 R180 V181P14-T177 HydrophobicContact CB-CG2 4.1Å; P14-T177 HydrophobicContact CG-CG2 3.71Å; P170-T177 HydrophobicContact CB-CG2 3.85Å; T171-T177 WeakPolarHBondContact O-CB 3.28Å; T171-T177 WeakPolarHBondContact O-CG2 3.3Å; D174-T177 PolarHBondContact O-N 3.39Å; D174-T177 VanDerWaalsContact OD1-CB 3.28Å; D174-T177 WeakPolarHBondContact OD1-CB 3.46Å; D174-T177 PolarHBondContact OD1-N 3.43Å; D174-T177 PolarHBondContact OD1-OG1 2.8Å; T177-L179 PolarHBondContact O-N 2.86Å; T177-R180 PolarHBondContact O-N 3.46Å; T177-V181 WeakPolarHBondContact O-CG2 3.36Å; T177-V181 PolarHBondContact O-N 3.39Å
178L94.4Very high94.1Very high25 Ų2554.4 Ų54.413%0.13126%0.26CS..Hα-helixtrans-57.2-47.4175.3-177.8154.7000111.6L172 D174 V181 L182 L271 L281L172-L178 HydrophobicContact CD2-CB 4.43Å; D174-L178 WeakPolarHBondContact O-CB 3.25Å; D174-L178 PolarHBondContact O-N 2.77Å; L178-V181 PolarHBondContact O-N 3.49Å; L178-L182 VanDerWaalsContact O-CB 3.28Å; L178-L182 WeakPolarHBondContact O-CB 3.25Å; L178-L182 PolarHBondContact O-N 2.88Å; L178-L271 HydrophobicContact CG-CD2 4.46Å; L178-L281 HydrophobicContact CD2-CD1 4.45Å
179L93.9Very high94.1Very high37 Ų3753.9 Ų53.919%0.19425%0.252CS..Hα-helixtrans-61.3-44.5178.1-80171.8000112.1N175 N176 T177 L182 V183 L281N175-L179 VanDerWaalsContact O-CB 3.26Å; N175-L179 WeakPolarHBondContact O-CB 3.42Å; N175-L179 WeakPolarHBondContact O-CG 3.29Å; N175-L179 PolarHBondContact O-N 3.41Å; N176-L179 PolarHBondContact O-N 3.28Å; T177-L179 PolarHBondContact O-N 2.86Å; L179-L182 PolarHBondContact O-N 2.94Å; L179-V183 WeakPolarHBondContact O-CB 3.31Å; L179-V183 VanDerWaalsContact O-CG2 3.29Å; L179-V183 WeakPolarHBondContact O-CG2 3.47Å; L179-V183 PolarHBondContact O-N 3.06Å; L179-L281 HydrophobicContact CD2-CB 3.78Å; L179-L281 HydrophobicContact CD2-CD2 3.66Å; L179-L281 HydrophobicContact CD2-CG 4.25Å
180R93.2Very high94.1Very high140 Ų14051.7 Ų51.753%0.52824%0.243SC..Hα-helixtrans-60.2-48.4177.1-75.7178.169-108.7-2.6111.6N176 T177 V183 S184N176-R180 WeakPolarHBondContact O-CB 3.42Å; N176-R180 VanDerWaalsContact O-CG 3.31Å; N176-R180 WeakPolarHBondContact O-CG 3.45Å; N176-R180 PolarHBondContact O-N 3.42Å; T177-R180 PolarHBondContact O-N 3.46Å; R180-V183 PolarHBondContact O-N 3.15Å; R180-S184 PolarHBondContact O-N 2.88Å; R180-S184 PolarHBondContact O-OG 3.36Å; R180-S184 VanDerWaalsContact O-OG 3.13Å
181V94.9Very high94Very high5 Ų554.3 Ų54.33%0.0325%0.254CS..Hα-helixtrans-62.3-46.2178177.60000110.7P14 L172 T177 L178 V183 S184 E185 L271P14-V181 HydrophobicContact CG-CG2 3.66Å; L172-V181 HydrophobicContact CD2-CB 4.47Å; L172-V181 HydrophobicContact CD2-CG2 4.41Å; T177-V181 WeakPolarHBondContact O-CG2 3.36Å; T177-V181 PolarHBondContact O-N 3.39Å; L178-V181 PolarHBondContact O-N 3.49Å; V181-V183 PolarHBondContact O-N 3.24Å; V181-S184 PolarHBondContact O-N 2.94Å; V181-E185 HydrophobicContact CG1-CG 4.42Å; V181-E185 WeakPolarHBondContact O-CG 3.36Å; V181-E185 PolarHBondContact O-N 3.12Å; V181-L271 HydrophobicContact CG1-CD1 3.81Å
182L95.2Very high93.8Very high0 Ų057.2 Ų57.20%027%0.267CS..Hα-helixtrans-60.3-44.8178.9177.962.3000112.2L178 L179 E185 V186 I268 L271 L278 L281L178-L182 VanDerWaalsContact O-CB 3.28Å; L178-L182 WeakPolarHBondContact O-CB 3.25Å; L178-L182 PolarHBondContact O-N 2.88Å; L179-L182 PolarHBondContact O-N 2.94Å; L182-E185 PolarHBondContact O-N 2.91Å; L182-V186 HydrophobicContact CD1-CG2 4.16Å; L182-V186 HydrophobicContact CG-CG2 4.49Å; L182-V186 WeakPolarHBondContact O-CB 3.38Å; L182-V186 VanDerWaalsContact O-CG2 3.24Å; L182-V186 WeakPolarHBondContact O-CG2 3.44Å; L182-V186 PolarHBondContact O-N 3.49Å; L182-I268 HydrophobicContact CD1-CG2 4.13Å; L182-L271 HydrophobicContact CB-CD1 4.38Å; L182-L271 HydrophobicContact CD1-CB 4.02Å; L182-L271 HydrophobicContact CD1-CD1 4.48Å; L182-L278 HydrophobicContact CD1-CD1 3.89Å; L182-L278 HydrophobicContact CD2-CD1 4.22Å; L182-L278 HydrophobicContact CG-CD1 4.35Å; L182-L281 HydrophobicContact CD2-CB 3.87Å; L182-L281 HydrophobicContact CD2-CD1 3.56Å; L182-L281 HydrophobicContact CD2-CG 4.35Å
183V94.9Very high93.6Very high5 Ų557.7 Ų57.73%0.0327%0.269CS..Hα-helixtrans-64.1-44176.9169.90000110.7L179 R180 V181 E185 V186 L187 L282 Q285 Q287 V288L179-V183 WeakPolarHBondContact O-CB 3.31Å; L179-V183 VanDerWaalsContact O-CG2 3.29Å; L179-V183 WeakPolarHBondContact O-CG2 3.47Å; L179-V183 PolarHBondContact O-N 3.06Å; R180-V183 PolarHBondContact O-N 3.15Å; V181-V183 PolarHBondContact O-N 3.24Å; V183-E185 PolarHBondContact O-N 3.34Å; V183-V186 PolarHBondContact O-N 2.82Å; V183-L187 HydrophobicContact CG1-CD1 3.69Å; V183-L187 HydrophobicContact CG1-CG 4.2Å; V183-L187 WeakPolarHBondContact O-CB 3.49Å; V183-L187 VanDerWaalsContact O-CG 3.27Å; V183-L187 WeakPolarHBondContact O-CG 3.43Å; V183-L187 PolarHBondContact O-N 3.28Å; V183-L282 HydrophobicContact CG2-CD2 4.07Å; V183-Q285 HydrophobicContact CG2-CB 4.1Å; V183-Q285 HydrophobicContact CG2-CG 3.71Å; V183-Q287 HydrophobicContact CG1-CB 4.4Å; V183-V288 HydrophobicContact CG1-CG2 3.93Å; V183-V288 HydrophobicContact CG2-CG2 4.29Å
184S93.6Very high93.5Very high56 Ų5650 Ų5039%0.39224%0.24SC..Hα-helixtrans-60.5-43.1176.1-64.90000112.8R180 V181 Y188R180-S184 PolarHBondContact O-N 2.88Å; R180-S184 PolarHBondContact O-OG 3.36Å; R180-S184 VanDerWaalsContact O-OG 3.13Å; V181-S184 PolarHBondContact O-N 2.94Å; S184-Y188 VanDerWaalsContact O-CB 3.24Å; S184-Y188 WeakPolarHBondContact O-CB 3.5Å; S184-Y188 PolarHBondContact O-N 2.88Å
185E95.1Very high93.3Very high37 Ų3749.4 Ų49.417%0.17324%0.237CC..Hα-helixtrans-64.1-46.6175-69.7-67.8151.400112V181 L182 V183 L187 Y188 W189 K267 I268V181-E185 HydrophobicContact CG1-CG 4.42Å; V181-E185 WeakPolarHBondContact O-CG 3.36Å; V181-E185 PolarHBondContact O-N 3.12Å; L182-E185 PolarHBondContact O-N 2.91Å; V183-E185 PolarHBondContact O-N 3.34Å; E185-L187 PolarHBondContact O-N 2.87Å; E185-Y188 PolarHBondContact O-N 3.2Å; E185-W189 WeakPolarHBondContact O-CB 3.5Å; E185-W189 VanDerWaalsContact O-CD1 3.27Å; E185-W189 PolarHBondContact O-N 2.64Å; E185-W189 PolarHBondContact OE2-NE1 3.35Å; E185-K267 HydrophobicContact CG-CD 3.93Å; E185-K267 HydrophobicContact CG-CG 4.2Å; E185-K267 WeakPolarHBondContact OE1-CD 3.45Å; E185-K267 VanDerWaalsContact OE1-CE 3.28Å; E185-K267 WeakPolarHBondContact OE1-CE 3.24Å; E185-K267 IonicContact OE1-NZ 3.55Å; E185-K267 PolarHBondContact OE1-NZ 3.35Å; E185-I268 HydrophobicContact CB-CD1 4.38Å; E185-I268 HydrophobicContact CB-CG1 3.89Å
186V95.6Very high93.1Very high0 Ų050.3 Ų50.30%023%0.231CC..Hα-helixtrans-59.2-46.5178.6163.70000111.5L182 V183 A190 L261 I268 L278 L282 L297L182-V186 HydrophobicContact CD1-CG2 4.16Å; L182-V186 HydrophobicContact CG-CG2 4.49Å; L182-V186 WeakPolarHBondContact O-CB 3.38Å; L182-V186 VanDerWaalsContact O-CG2 3.24Å; L182-V186 WeakPolarHBondContact O-CG2 3.44Å; L182-V186 PolarHBondContact O-N 3.49Å; V183-V186 PolarHBondContact O-N 2.82Å; V186-A190 VanDerWaalsContact O-CB 3.23Å; V186-A190 WeakPolarHBondContact O-CB 3.27Å; V186-A190 PolarHBondContact O-N 3.19Å; V186-L261 HydrophobicContact CG1-CD1 4.36Å; V186-I268 HydrophobicContact CB-CD1 4.49Å; V186-I268 HydrophobicContact CG2-CD1 3.89Å; V186-I268 HydrophobicContact CG2-CG1 4.32Å; V186-I268 HydrophobicContact CG2-CG2 4.13Å; V186-L278 HydrophobicContact CG2-CD1 4.03Å; V186-L282 HydrophobicContact CB-CD2 4.48Å; V186-L282 HydrophobicContact CG1-CD1 4.14Å; V186-L282 HydrophobicContact CG1-CD2 4.23Å; V186-L282 HydrophobicContact CG2-CD1 4.29Å; V186-L282 HydrophobicContact CG2-CD2 4.32Å; V186-L297 HydrophobicContact CG1-CD2 4.17Å
187L94.3Very high92.7Very high53 Ų5347.9 Ų47.928%0.27721%0.214SC..Hα-helixtrans-67.7-44.8179.2-67.7174.5000111.6V183 E185 A190 E191 Q287 L297V183-L187 HydrophobicContact CG1-CD1 3.69Å; V183-L187 HydrophobicContact CG1-CG 4.2Å; V183-L187 WeakPolarHBondContact O-CB 3.49Å; V183-L187 VanDerWaalsContact O-CG 3.27Å; V183-L187 WeakPolarHBondContact O-CG 3.43Å; V183-L187 PolarHBondContact O-N 3.28Å; E185-L187 PolarHBondContact O-N 2.87Å; L187-A190 PolarHBondContact O-N 3.1Å; L187-E191 WeakPolarHBondContact O-CB 3.33Å; L187-E191 PolarHBondContact O-N 3.46Å; L187-Q287 HydrophobicContact CD1-CB 3.92Å; L187-L297 HydrophobicContact CD2-CD2 4.27Å
188Y94.1Very high92.1Very high128 Ų12850.1 Ų50.150%0.50222%0.224SC..Hα-helixtrans-57.6-52.3176.9171.8-102000111.5S184 E185 A190 E191 Q192S184-Y188 VanDerWaalsContact O-CB 3.24Å; S184-Y188 WeakPolarHBondContact O-CB 3.5Å; S184-Y188 PolarHBondContact O-N 2.88Å; E185-Y188 PolarHBondContact O-N 3.2Å; Y188-A190 PolarHBondContact O-N 3.39Å; Y188-E191 WeakPolarHBondContact O-CB 3.19Å; Y188-E191 PolarHBondContact O-N 3Å; Y188-Q192 HydrophobicContact CD1-CG 4.37Å; Y188-Q192 HydrophobicContact CD2-CG 4.4Å; Y188-Q192 HydrophobicContact CE1-CG 3.91Å; Y188-Q192 HydrophobicContact CE2-CG 3.96Å; Y188-Q192 WeakPolarHBondContact O-CG 3.3Å; Y188-Q192 PolarHBondContact O-N 2.92Å
189W94.9Very high91.5Very high78 Ų7855.5 Ų55.530%0.29525%0.249SC..Hα-helixtrans-68.9-34.4-177.4-80.7105.1000113.3E185 E191 Q192 M193 L261 C265 I268E185-W189 WeakPolarHBondContact O-CB 3.5Å; E185-W189 VanDerWaalsContact O-CD1 3.27Å; E185-W189 PolarHBondContact O-N 2.64Å; E185-W189 PolarHBondContact OE2-NE1 3.35Å; W189-E191 VanDerWaalsContact C-N 3.34Å; W189-Q192 HydrophobicContact CE3-CB 4.49Å; W189-Q192 PolarHBondContact O-N 3.33Å; W189-M193 WeakPolarHBondContact O-CB 3.28Å; W189-M193 VanDerWaalsContact O-CG 3.3Å; W189-M193 WeakPolarHBondContact O-CG 3.31Å; W189-M193 PolarHBondContact O-N 3.25Å; W189-L261 HydrophobicContact CB-CD2 3.66Å; W189-C265 VanDerWaalsContact CB-SG 3.55Å; W189-C265 HydrophobicContact CD2-CB 4.19Å; W189-C265 HydrophobicContact CG-CB 4.02Å; W189-I268 HydrophobicContact CB-CD1 4.28Å; W189-I268 HydrophobicContact CG-CD1 4.45Å
190A94Very high90.9Very high0 Ų060 Ų600%027%0.268CS..Hα-helixtrans-66.7-37174.800000112.2V186 L187 Y188 M193 K194 V256 L261 L297 V299V186-A190 VanDerWaalsContact O-CB 3.23Å; V186-A190 WeakPolarHBondContact O-CB 3.27Å; V186-A190 PolarHBondContact O-N 3.19Å; L187-A190 PolarHBondContact O-N 3.1Å; Y188-A190 PolarHBondContact O-N 3.39Å; A190-M193 PolarHBondContact O-N 3.1Å; A190-K194 WeakPolarHBondContact O-CB 3.24Å; A190-K194 PolarHBondContact O-N 3.46Å; A190-V256 HydrophobicContact CB-CB 4.25Å; A190-V256 HydrophobicContact CB-CG1 4.18Å; A190-V256 HydrophobicContact CB-CG2 4.14Å; A190-L261 HydrophobicContact CB-CD1 4.23Å; A190-L261 HydrophobicContact CB-CD2 4.18Å; A190-L297 HydrophobicContact CB-CD2 3.38Å; A190-V299 HydrophobicContact CB-CG2 3.71Å
191E93.1Very high89.8Confident67 Ų6756.9 Ų56.931%0.31327%0.265SS..Hα-helixtrans-65.1-44.1172.6-171.961.7-160.600111.5L187 Y188 W189 M193 K194 N195 V299L187-E191 WeakPolarHBondContact O-CB 3.33Å; L187-E191 PolarHBondContact O-N 3.46Å; Y188-E191 WeakPolarHBondContact O-CB 3.19Å; Y188-E191 PolarHBondContact O-N 3Å; W189-E191 VanDerWaalsContact C-N 3.34Å; E191-M193 VanDerWaalsContact C-N 3.34Å; E191-M193 PolarHBondContact O-N 2.99Å; E191-K194 PolarHBondContact O-N 2.92Å; E191-K194 VanDerWaalsContact OE1-CE 3.24Å; E191-K194 WeakPolarHBondContact OE1-CE 3.38Å; E191-K194 IonicContact OE1-NZ 3.86Å; E191-K194 PolarHBondContact OE1-NZ 2.93Å; E191-K194 WeakPolarHBondContact OE2-CE 3.28Å; E191-K194 IonicContact OE2-NZ 2.75Å; E191-K194 PolarHBondContact OE2-NZ 3.28Å; E191-N195 WeakPolarHBondContact O-CB 3.4Å; E191-N195 PolarHBondContact O-N 3.2Å; E191-N195 PolarHBondContact O-ND2 3.39Å; E191-N195 PolarHBondContact O-OD1 3.09Å; E191-N195 PolarHBondContact OE1-ND2 3Å; E191-N195 PolarHBondContact OE1-OD1 2.69Å; E191-V299 VanDerWaalsContact OE2-CG1 3.3Å; E191-V299 WeakPolarHBondContact OE2-CG1 3.34Å
192Q91.2Very high88.4Confident75 Ų7562 Ų6235%0.3530%0.297SS..Hα-helixtrans-60.5-41174.3-67.9-60.7-54.800112.5Y188 W189 R196Y188-Q192 HydrophobicContact CD1-CG 4.37Å; Y188-Q192 HydrophobicContact CD2-CG 4.4Å; Y188-Q192 HydrophobicContact CE1-CG 3.91Å; Y188-Q192 HydrophobicContact CE2-CG 3.96Å; Y188-Q192 WeakPolarHBondContact O-CG 3.3Å; Y188-Q192 PolarHBondContact O-N 2.92Å; W189-Q192 HydrophobicContact CE3-CB 4.49Å; W189-Q192 PolarHBondContact O-N 3.33Å; Q192-R196 PolarHBondContact O-N 3.08Å; Q192-R196 VanDerWaalsContact O-N 3.17Å
193M91.1Very high86.2Confident29 Ų2964.7 Ų64.714%0.14333%0.325CS..Hα-helixtrans-67.4-41.8176.6-72.3-177.373.600112.1W189 A190 E191 W197 W240 V256 A260 L261 F264W189-M193 WeakPolarHBondContact O-CB 3.28Å; W189-M193 VanDerWaalsContact O-CG 3.3Å; W189-M193 WeakPolarHBondContact O-CG 3.31Å; W189-M193 PolarHBondContact O-N 3.25Å; A190-M193 PolarHBondContact O-N 3.1Å; E191-M193 VanDerWaalsContact C-N 3.34Å; E191-M193 PolarHBondContact O-N 2.99Å; M193-W197 PolarHBondContact O-N 3.43Å; M193-W240 HydrophobicContact CE-CH2 4.2Å; M193-V256 HydrophobicContact CB-CG1 4.36Å; M193-V256 HydrophobicContact CE-CG1 4.24Å; M193-V256 HydrophobicContact SD-CG1 3.82Å; M193-A260 HydrophobicContact CE-CB 3.94Å; M193-L261 HydrophobicContact SD-CD2 3.83Å; M193-L261 HydrophobicContact SD-CG 4.34Å; M193-F264 HydrophobicContact CE-CD2 4.39Å
194K90Very high83.7Confident12 Ų1267.6 Ų67.65%0.05236%0.355CS..Hα-helixtrans-57.8-50.1173.4-178.8-169.677.6-169.40111A190 E191 R196 W197 M198 A254 V299 K300A190-K194 WeakPolarHBondContact O-CB 3.24Å; A190-K194 PolarHBondContact O-N 3.46Å; E191-K194 PolarHBondContact O-N 2.92Å; E191-K194 VanDerWaalsContact OE1-CE 3.24Å; E191-K194 WeakPolarHBondContact OE1-CE 3.38Å; E191-K194 IonicContact OE1-NZ 3.86Å; E191-K194 PolarHBondContact OE1-NZ 2.93Å; E191-K194 WeakPolarHBondContact OE2-CE 3.28Å; E191-K194 IonicContact OE2-NZ 2.75Å; E191-K194 PolarHBondContact OE2-NZ 3.28Å; K194-R196 PolarHBondContact O-N 3.43Å; K194-W197 PolarHBondContact O-N 2.96Å; K194-M198 HydrophobicContact CD-CE 4.35Å; K194-M198 HydrophobicContact CG-CE 4.19Å; K194-M198 HydrophobicContact CG-CG 4.44Å; K194-M198 HydrophobicContact CG-SD 4.3Å; K194-M198 WeakPolarHBondContact O-CG 3.24Å; K194-M198 PolarHBondContact O-N 3.12Å; K194-A254 HydrophobicContact CB-CB 4.28Å; K194-A254 HydrophobicContact CD-CB 4.15Å; K194-A254 HydrophobicContact CG-CB 3.73Å; K194-V299 HydrophobicContact CD-CB 4.29Å; K194-V299 HydrophobicContact CD-CG1 3.8Å; K194-K300 PolarHBondContact NZ-O 3.39Å
195N88.6Confident81.3Confident45 Ų4570.6 Ų70.624%0.24137%0.372CS..Hα-helixtrans-66.1-42.7-172.7-66.5-11.3000111.8E191 W197 M198 E199E191-N195 WeakPolarHBondContact O-CB 3.4Å; E191-N195 PolarHBondContact O-N 3.2Å; E191-N195 PolarHBondContact O-ND2 3.39Å; E191-N195 PolarHBondContact O-OD1 3.09Å; E191-N195 PolarHBondContact OE1-ND2 3Å; E191-N195 PolarHBondContact OE1-OD1 2.69Å; N195-W197 VanDerWaalsContact C-N 3.34Å; N195-W197 PolarHBondContact O-N 3.08Å; N195-M198 PolarHBondContact O-N 2.97Å; N195-M198 VanDerWaalsContact OD1-CE 3.28Å; N195-M198 WeakPolarHBondContact OD1-CE 3.47Å; N195-E199 WeakPolarHBondContact O-CG 3.36Å; N195-E199 PolarHBondContact O-N 3.15Å
196R87.8Confident78.7Confident138 Ų13876.3 Ų76.352%0.52140%0.404SS..Hα-helixtrans-56.5-45.7172.2-174.1-175.9-56.9160.86112.5Q192 K194 E199 E200Q192-R196 PolarHBondContact O-N 3.08Å; Q192-R196 VanDerWaalsContact O-N 3.17Å; K194-R196 PolarHBondContact O-N 3.43Å; R196-E199 PolarHBondContact O-N 3.49Å; R196-E200 WeakPolarHBondContact CG-OE1 3.27Å; R196-E200 WeakPolarHBondContact O-CG 3.41Å; R196-E200 PolarHBondContact O-N 2.69Å
197W82.5Confident75.6Confident60 Ų6079.9 Ų79.923%0.22744%0.44CS..Hα-helixtrans-65.5-38.2178.5176.676000112.5M193 K194 N195 E200 T201 W240 T241M193-W197 PolarHBondContact O-N 3.43Å; K194-W197 PolarHBondContact O-N 2.96Å; N195-W197 VanDerWaalsContact C-N 3.34Å; N195-W197 PolarHBondContact O-N 3.08Å; W197-E200 PolarHBondContact O-N 3.16Å; W197-T201 HydrophobicContact CZ2-CG2 4.49Å; W197-T201 WeakPolarHBondContact O-CB 3.32Å; W197-T201 PolarHBondContact O-N 2.95Å; W197-T201 PolarHBondContact O-OG1 3.41Å; W197-W240 HydrophobicContact CZ2-CB 4.31Å; W197-T241 HydrophobicContact CH2-CG2 4.08Å
198M82Confident72.7Confident62 Ų6283.8 Ų83.831%0.30547%0.466SS..Hα-helixtrans-63.5-45.5175.2-69-167-54.800111.4K194 N195 E200 T201 T202K194-M198 HydrophobicContact CD-CE 4.35Å; K194-M198 HydrophobicContact CG-CE 4.19Å; K194-M198 HydrophobicContact CG-CG 4.44Å; K194-M198 HydrophobicContact CG-SD 4.3Å; K194-M198 WeakPolarHBondContact O-CG 3.24Å; K194-M198 PolarHBondContact O-N 3.12Å; N195-M198 PolarHBondContact O-N 2.97Å; N195-M198 VanDerWaalsContact OD1-CE 3.28Å; N195-M198 WeakPolarHBondContact OD1-CE 3.47Å; M198-E200 PolarHBondContact O-N 3.13Å; M198-T201 PolarHBondContact O-N 3.12Å; M198-T201 VanDerWaalsContact O-N 3.09Å; M198-T202 PolarHBondContact O-N 3.17Å; M198-T202 PolarHBondContact O-OG1 3.19Å
199E82.6Confident69.9Low138 Ų13885.5 Ų85.565%0.64548%0.483SS*.Hα-helixtrans-57.8-45175.4-71.2169.4-173.100112.4N195 R196 T201 G203N195-E199 WeakPolarHBondContact O-CG 3.36Å; N195-E199 PolarHBondContact O-N 3.15Å; R196-E199 PolarHBondContact O-N 3.49Å; E199-T201 VanDerWaalsContact C-N 3.26Å; E199-T201 PolarHBondContact O-N 3.34Å; E199-G203 PolarHBondContact O-N 2.81Å
200E80.6Confident66.9Low131 Ų13187.4 Ų87.461%0.61251%0.505SS*.Hα-helixtrans-62.3-32.8175.4-72.4170.7-17100112.2R196 W197 M198R196-E200 WeakPolarHBondContact CG-OE1 3.27Å; R196-E200 WeakPolarHBondContact O-CG 3.41Å; R196-E200 PolarHBondContact O-N 2.69Å; W197-E200 PolarHBondContact O-N 3.16Å; M198-E200 PolarHBondContact O-N 3.13Å
201T70.3Confident63.6Low75 Ų7596.4 Ų96.446%0.4655%0.547SS..Hα-helixtrans-85.3-37.1-176.1-52.40000113.2W197 M198 E199W197-T201 HydrophobicContact CZ2-CG2 4.49Å; W197-T201 WeakPolarHBondContact O-CB 3.32Å; W197-T201 PolarHBondContact O-N 2.95Å; W197-T201 PolarHBondContact O-OG1 3.41Å; M198-T201 PolarHBondContact O-N 3.12Å; M198-T201 VanDerWaalsContact O-N 3.09Å; E199-T201 VanDerWaalsContact C-N 3.26Å; E199-T201 PolarHBondContact O-N 3.34Å
202T64.2Low60.7Low112 Ų11297.6 Ų97.669%0.68756%0.563SS**Hα-helixtrans-81.6-28174.741.20000113.3M198 G204M198-T202 PolarHBondContact O-N 3.17Å; M198-T202 PolarHBondContact O-OG1 3.19Å; T202-G204 PolarHBondContact O-N 3.47Å
203G49.8Very low57.8Low58 Ų58103.1 Ų103.160%0.59859%0.588SS**G310 helixtrans-64.8-18176.400000114.8E199 T205E199-G203 PolarHBondContact O-N 2.81Å; G203-T205 VanDerWaalsContact C-N 3.3Å; G203-T205 PolarHBondContact O-N 2.95Å
204G43.4Very low54.8Low65 Ų65107.6 Ų107.667%0.6762%0.618SS**G310 helixtrans-69.9-13.6-17500000116.5T202T202-G204 PolarHBondContact O-N 3.47Å
205T41.8Very low51.8Low120 Ų120114.5 Ų114.574%0.73665%0.65SS**G310 helixtrans-101.95.4-166.7-41.30000114.9G203G203-T205 VanDerWaalsContact C-N 3.3Å; G203-T205 PolarHBondContact O-N 2.95Å
206N41.2Very low48.9Very low157 Ų157119.6 Ų119.684%0.8467%0.673SS**  trans-146.972173.4-94.6-42.2000113.2
207G30.4Very low46Very low74 Ų74120.4 Ų120.476%0.76368%0.682SS**  trans-114.670176.100000113.7L209G207-L209 PolarHBondContact O-N 3.45Å
208V32.3Very low43.4Very low136 Ų136124.8 Ų124.882%0.82471%0.705SS**  trans-72.6112.8167.5175.40000108.8P210V208-P210 WeakPolarHBondContact O-CD 3.46Å
209L36.5Very low40.8Very low164 Ų164129.5 Ų129.586%0.85973%0.727SS**  trans-61.8135.3172.3-73.8159.5000111.9G207G207-L209 PolarHBondContact O-N 3.45Å
210P31.6Very low38.1Very low118 Ų118128.2 Ų128.277%0.76673%0.733SS**  trans-107.7143.51481.320.3000111V208V208-P210 WeakPolarHBondContact O-CD 3.46Å
211H25.6Very low35.5Very low188 Ų188125.9 Ų125.987%0.8774%0.736SS**  trans-67.3132.1177.2-90.3-28.7000113.4
212S31.2Very low33.4Very low93 Ų93128 Ų12865%0.6575%0.752SS**  trans25.5125.4138.9640000120.1
213Q29.3Very low31.5Very low190 Ų190129.5 Ų129.589%0.88876%0.762SS**  -153.2138.8115.4-111.1159.662.900112.9
214T28.1Very low30.3Very low124 Ų124135.3 Ų135.376%0.76177%0.773SS**  trans-37.8153.9165.6-7.60000113.2
215E27.9Very low29.8Very low156 Ų156143.7 Ų143.773%0.72979%0.785SS**  cis-156.2153.541.2-64.5-17711600114.4
216Q27.9Very low29.2Very low153 Ų153145.8 Ų145.872%0.71579%0.79SS**  trans37.4137.3138-54.9174.937.500119.7
217Q26.9Very low28.4Very low154 Ų154145.9 Ų145.972%0.7279%0.791SS**  cis-165.6149.535.2-144.6164.612.900111.4
218E28Very low28.1Very low153 Ų153147.8 Ų147.872%0.71579%0.791SS**  trans25.6136150.7-67.3178-145.600120.9
219Q27.1Very low27.9Very low161 Ų161147.6 Ų147.675%0.75279%0.793SS**  cis-165.1173.822.6-126.4175.980.600107.7
220S26.5Very low27.4Very low110 Ų110143.2 Ų143.277%0.76979%0.787SS**  cis-154.2-143.211.1-160.70000111.3
221A26.1Very low27.1Very low82 Ų82147.2 Ų147.268%0.67880%0.796SS**  trans-103.4166.2-17600000113.4
222C24.6Very low27.2Very low120 Ų120141.9 Ų141.981%0.81179%0.792SS**  cis-134.2140.924.2-70.60000115.1
223T25.6Very low27.2Very low144 Ų144147.4 Ų147.488%0.88381%0.808SS**  trans-104.7103.1163.3-2.90000108.4
224E24.7Very low27.1Very low179 Ų179147 Ų14784%0.83681%0.806SS**  trans-96.4110.7169.8-72.4-160.6140.100110.4L226E224-L226 PolarHBondContact O-N 3.46Å
225R32.1Very low27.2Very low242 Ų242144.5 Ų144.591%0.91379%0.793SS**  trans-74.5106.3171.2-70.2178.6173.4-175.9-3.8109.1N227R225-N227 PolarHBondContact O-N 2.96Å
226L28.8Very low27.4Very low163 Ų163142.6 Ų142.685%0.85379%0.792SS**  trans-76.288.7168.4-79.2168.2000110.5E224E224-L226 PolarHBondContact O-N 3.46Å
227N25.5Very low27.7Very low159 Ų159143.1 Ų143.185%0.8580%0.795SS**  trans-85120.1158-113.314.6000108.4R225R225-N227 PolarHBondContact O-N 2.96Å
228C24.7Very low28Very low114 Ų114139.4 Ų139.477%0.7779%0.786SS**  trans-115.8141.5161-80.80000109.1
229P27.6Very low28.6Very low132 Ų132137.3 Ų137.386%0.85778%0.779SS**  trans-93.8138.2-165.234.7-34000114.1
230G24.7Very low29.6Very low72 Ų72132.2 Ų132.274%0.74275%0.753SS**  trans89.491.3154.600000116.7
231E27.3Very low30.5Very low202 Ų202129.2 Ų129.294%0.94473%0.73SS**SBend172.7134.792.7-88.7-176.4174.600109.8
232G25.7Very low31.5Very low77 Ų77133 Ų13379%0.79473%0.731SS**  trans84.3104.3170.800000116.6E234G232-E234 PolarHBondContact O-N 2.92Å
233E31.8Very low32.5Very low209 Ų209132.3 Ų132.398%0.97772%0.719SS**  trans-76.691.3158-71.2179.6143.800109.1
234E28.2Very low33.1Very low181 Ų181132.4 Ų132.485%0.84671%0.71SS**  trans-118.4142.4158.9-100.8-176.7165.300109.5G232 T236G232-E234 PolarHBondContact O-N 2.92Å; E234-T236 PolarHBondContact O-N 3.45Å
235S30.3Very low33.6Very low72 Ų72133 Ų13350%0.50371%0.713SS.*  trans-62.4123.6-16544.90000113.2E237 S238S235-E237 PolarHBondContact O-N 3.08Å; S235-S238 PolarHBondContact O-N 3.01Å; S235-S238 PolarHBondContact O-OG 2.83Å
236T31.1Very low33.7Very low116 Ų116129.6 Ų129.671%0.71271%0.707SS**G310 helixtrans-60.4-17.2177.346.20000114.7E234E234-T236 PolarHBondContact O-N 3.45Å
237E34.4Very low34Very low163 Ų163127.9 Ų127.976%0.76271%0.708SS**G310 helixtrans-70-28.8172.7-66.9-177.2140.500113.1S235 L239S235-E237 PolarHBondContact O-N 3.08Å; E237-L239 PolarHBondContact O-N 2.6Å
238S33.9Very low34.6Very low76 Ų76124 Ų12453%0.53171%0.707SS.*G310 helixtrans-79.1-2.7-175.167.60000114.2S235S235-S238 PolarHBondContact O-N 3.01Å; S235-S238 PolarHBondContact O-OG 2.83Å
239L40.8Very low35Very low109 Ų109123.9 Ų123.957%0.57170%0.702SS**G310 helixtrans-86.8-16-170.9-135.6117.4000114E237E237-L239 PolarHBondContact O-N 2.6Å
240W48.3Very low35.8Very low54 Ų54122.7 Ų122.721%0.20569%0.688CS.*SBendtrans-105.2-17.6-162.5-68.190.2000115.5M193 W197 A254 V255 V256M193-W240 HydrophobicContact CE-CH2 4.2Å; W197-W240 HydrophobicContact CZ2-CB 4.31Å; W240-A254 WeakPolarHBondContact O-CA 3.42Å; W240-V255 VanDerWaalsContact CZ3-O 3.29Å; W240-V255 WeakPolarHBondContact CZ3-O 3.24Å; W240-V255 PolarHBondContact O-N 2.89Å; W240-V256 HydrophobicContact CZ3-CG2 4.35Å
241T44.4Very low37.3Very low48 Ų48122.4 Ų122.429%0.29467%0.67SS.*BIsolated β-bridgetrans-124.1121178.250.30000111.1W197W197-T241 HydrophobicContact CH2-CG2 4.08Å
242K47.7Very low39.9Very low162 Ų162118.2 Ų118.270%0.70465%0.645SS**  trans-115.4109.7161.5-76.6-174.2175.91790108.4Q244K242-Q244 PolarHBondContact O-N 3.08Å
243D44.4Very low42.6Very low104 Ų104116 Ų11656%0.55661%0.614SS**  trans-68.6124.6169.7-60.4-44.6000108.6
244Q39.7Very low45.3Very low146 Ų146106.1 Ų106.168%0.68257%0.568SS**  trans-115.196.8177-140.6177.5-2.400108.4K242 E246K242-Q244 PolarHBondContact O-N 3.08Å; Q244-E246 PolarHBondContact O-N 3.43Å
245E34.2Very low48.2Very low192 Ų19298.3 Ų98.390%0.89753%0.532SS*.  trans-72.291.5177.8-73.9-169.4131.400111.4
246E34.1Very low51.2Low171 Ų17194.9 Ų94.980%0.79951%0.508SS*.  trans-116.3100.2155.6-74.8-166156.100109.9Q244Q244-E246 PolarHBondContact O-N 3.43Å
247S36.3Very low54.3Low126 Ų12690.9 Ų90.988%0.88148%0.484SS*.SBendtrans4475.4159.8-173.90000117.6
248G36.7Very low57.1Low79 Ų7983.2 Ų83.281%0.81445%0.449SS*.SBendtrans81.833.4149.700000117.3
249T34.1Very low60Low110 Ų11082.1 Ų82.168%0.67544%0.444SS*.  trans-157.9123.4150.7-9.90000108.3N251T249-N251 VanDerWaalsContact C-N 3.25Å; T249-N251 PolarHBondContact O-N 3.5Å
250L43.6Very low62.5Low108 Ų10877.8 Ų77.857%0.56542%0.424SS*.  trans-83.668.4-169-147.2150.9000110.6R252L250-R252 HydrophobicContact CD2-CG 3.82Å; L250-R252 PolarHBondContact O-N 3.48Å
251N56.3Low64.7Low65 Ų6575.2 Ų75.235%0.34842%0.415SS..  trans-61.893.8175.8-80.8-55.3000110T249 F253 K300T249-N251 VanDerWaalsContact C-N 3.25Å; T249-N251 PolarHBondContact O-N 3.5Å; N251-F253 HydrophobicContact CB-CD2 4.35Å; N251-F253 HydrophobicContact CB-CE2 3.71Å; N251-F253 HydrophobicContact CB-CZ 4.24Å; N251-F253 WeakPolarHBondContact O-CD2 3.27Å; N251-F253 PolarHBondContact O-N 3.12Å; N251-K300 WeakPolarHBondContact OD1-CE 3.36Å; N251-K300 PolarHBondContact OD1-NZ 2.87Å
252R81.3Confident67.1Low115 Ų11577.1 Ų77.143%0.43442%0.416SS..  trans-67.3123.2170.7-66178.467.8126.70.8108.9L250 C301L250-R252 HydrophobicContact CD2-CG 3.82Å; L250-R252 PolarHBondContact O-N 3.48Å; R252-C301 HydrophobicContact CB-CB 4.29Å; R252-C301 WeakPolarHBondContact O-CB 3.46Å; R252-C301 PolarHBondContact O-N 2.98Å
253F83.4Confident69.3Low30 Ų3073.6 Ų73.613%0.13241%0.412CS..EExtended strand (participates in β ladder)trans-106.8132.6172.2-70.7-87.9000110.2N251 K289 L298 V299 K300N251-F253 HydrophobicContact CB-CD2 4.35Å; N251-F253 HydrophobicContact CB-CE2 3.71Å; N251-F253 HydrophobicContact CB-CZ 4.24Å; N251-F253 WeakPolarHBondContact O-CD2 3.27Å; N251-F253 PolarHBondContact O-N 3.12Å; F253-K289 HydrophobicContact CE1-CD 4.43Å; F253-L298 HydrophobicContact CB-CB 4.48Å; F253-L298 HydrophobicContact CD1-CB 4.06Å; F253-L298 HydrophobicContact CG-CB 4.47Å; F253-V299 CarbonylContact C-O 3.53Å; F253-V299 VanDerWaalsContact CA-O 3.31Å; F253-V299 WeakPolarHBondContact CA-O 3.46Å; F253-K300 HydrophobicContact CD1-CB 4.22Å; F253-K300 HydrophobicContact CE1-CB 3.94Å
254A87.1Confident71.4Confident1 Ų175.3 Ų75.31%0.00842%0.415CS..EExtended strand (participates in β ladder)trans-80.9129164.300000109.7K194 W240 V299K194-A254 HydrophobicContact CB-CB 4.28Å; K194-A254 HydrophobicContact CD-CB 4.15Å; K194-A254 HydrophobicContact CG-CB 3.73Å; W240-A254 WeakPolarHBondContact O-CA 3.42Å; A254-V299 PolarHBondContact N-O 3.24Å; A254-V299 PolarHBondContact O-N 3Å
255V90.8Very high73.9Confident17 Ų1768.4 Ų68.410%0.10338%0.383CS..EExtended strand (participates in β ladder)trans-95.4103.9-179.3-1770000109.4W240 P257 A296 L298W240-V255 VanDerWaalsContact CZ3-O 3.29Å; W240-V255 WeakPolarHBondContact CZ3-O 3.24Å; W240-V255 PolarHBondContact O-N 2.89Å; V255-P257 WeakPolarHBondContact O-CD 3.5Å; V255-A296 HydrophobicContact CG1-CB 3.51Å; V255-L298 HydrophobicContact CG1-CD2 4.45Å; V255-L298 HydrophobicContact CG2-CD2 3.94Å
256V93.2Very high76.7Confident0 Ų064.2 Ų64.20%037%0.372CS..EExtended strand (participates in β ladder)trans-100.9110.8-178.3-173.50000110.2A190 M193 W240 L258 L261 A296 L297 V299A190-V256 HydrophobicContact CB-CB 4.25Å; A190-V256 HydrophobicContact CB-CG1 4.18Å; A190-V256 HydrophobicContact CB-CG2 4.14Å; M193-V256 HydrophobicContact CB-CG1 4.36Å; M193-V256 HydrophobicContact CE-CG1 4.24Å; M193-V256 HydrophobicContact SD-CG1 3.82Å; W240-V256 HydrophobicContact CZ3-CG2 4.35Å; V256-L258 PolarHBondContact O-N 3.13Å; V256-L261 HydrophobicContact CG1-CD1 3.88Å; V256-L261 HydrophobicContact CG1-CD2 4.07Å; V256-L261 HydrophobicContact CG1-CG 3.8Å; V256-A296 CarbonylContact O-C 3.56Å; V256-A296 WeakPolarHBondContact O-CA 3.42Å; V256-A296 WeakPolarHBondContact O-CB 3.42Å; V256-L297 HydrophobicContact CB-CB 4.48Å; V256-L297 PolarHBondContact N-O 3.47Å; V256-L297 PolarHBondContact O-N 3.45Å; V256-V299 HydrophobicContact CG2-CG2 3.92Å
257P94.9Very high79.5Confident32 Ų3258.8 Ų58.821%0.20835%0.346CS..EExtended strand (participates in β ladder)trans-63.1132.3-177.6-23.434.7000112.8V255 A259 A260 L261V255-P257 WeakPolarHBondContact O-CD 3.5Å; P257-A259 PolarHBondContact O-N 3.13Å; P257-A260 HydrophobicContact CB-CB 4.15Å; P257-A260 WeakPolarHBondContact O-CB 3.27Å; P257-A260 PolarHBondContact O-N 2.83Å; P257-L261 PolarHBondContact O-N 3.42Å; P257-L261 VanDerWaalsContact O-N 3.13Å
258L94.7Very high82.4Confident2 Ų252.8 Ų52.81%0.0130%0.304CS..Hα-helixtrans-61.7-31.1176.7-66.2-176.3000111.8V256 A260 L261 W262 L275 L278 R279 L282 L290 S295 L297V256-L258 PolarHBondContact O-N 3.13Å; L258-A260 VanDerWaalsContact C-N 3.3Å; L258-A260 PolarHBondContact O-N 2.55Å; L258-L261 HydrophobicContact CD2-CD1 4.21Å; L258-L261 PolarHBondContact O-N 3.35Å; L258-W262 VanDerWaalsContact O-CB 3.27Å; L258-W262 WeakPolarHBondContact O-CB 3.16Å; L258-W262 PolarHBondContact O-N 3.29Å; L258-L275 HydrophobicContact CB-CD1 3.73Å; L258-L278 HydrophobicContact CB-CD2 4.31Å; L258-R279 HydrophobicContact CD1-CB 4.19Å; L258-L282 HydrophobicContact CD1-CD1 4.36Å; L258-L282 HydrophobicContact CD2-CD1 3.79Å; L258-L290 HydrophobicContact CD1-CD2 4.15Å; L258-L290 HydrophobicContact CD2-CD2 4.25Å; L258-S295 WeakPolarHBondContact CB-O 3.13Å; L258-S295 WeakPolarHBondContact CG-O 3.47Å; L258-S295 PolarHBondContact N-O 2.9Å; L258-L297 HydrophobicContact CD2-CB 4.48Å
259A94.3Very high85.1Confident53 Ų5350.1 Ų50.144%0.43827%0.274SS..Hα-helixtrans-64.3-34.717400000112.4P257 S263 L275P257-A259 PolarHBondContact O-N 3.13Å; A259-S263 VanDerWaalsContact O-CB 3.27Å; A259-S263 WeakPolarHBondContact O-CB 3.2Å; A259-S263 PolarHBondContact O-N 3.42Å; A259-L275 HydrophobicContact CB-CD2 3.94Å
260A93.1Very high88Confident19 Ų1950.7 Ų50.716%0.15727%0.269CS..Hα-helixtrans-71.6-48.1175.900000110.6M193 P257 L258 W262 S263 F264M193-A260 HydrophobicContact CE-CB 3.94Å; P257-A260 HydrophobicContact CB-CB 4.15Å; P257-A260 WeakPolarHBondContact O-CB 3.27Å; P257-A260 PolarHBondContact O-N 2.83Å; L258-A260 VanDerWaalsContact C-N 3.3Å; L258-A260 PolarHBondContact O-N 2.55Å; A260-W262 VanDerWaalsContact C-N 3.31Å; A260-W262 PolarHBondContact O-N 3.11Å; A260-S263 PolarHBondContact O-N 2.87Å; A260-S263 VanDerWaalsContact O-N 3.08Å; A260-F264 HydrophobicContact CB-CD2 4.09Å; A260-F264 HydrophobicContact CB-CE2 4.22Å; A260-F264 WeakPolarHBondContact O-CB 3.48Å; A260-F264 WeakPolarHBondContact O-CD2 3.37Å; A260-F264 PolarHBondContact O-N 3.03Å
261L93.6Very high90.4Very high0 Ų046 Ų460%025%0.245CC..Hα-helixtrans-56-44.8174.2-71165.5000111.9V186 W189 A190 M193 V256 P257 L258 S263 C265 I268V186-L261 HydrophobicContact CG1-CD1 4.36Å; W189-L261 HydrophobicContact CB-CD2 3.66Å; A190-L261 HydrophobicContact CB-CD1 4.23Å; A190-L261 HydrophobicContact CB-CD2 4.18Å; M193-L261 HydrophobicContact SD-CD2 3.83Å; M193-L261 HydrophobicContact SD-CG 4.34Å; V256-L261 HydrophobicContact CG1-CD1 3.88Å; V256-L261 HydrophobicContact CG1-CD2 4.07Å; V256-L261 HydrophobicContact CG1-CG 3.8Å; P257-L261 PolarHBondContact O-N 3.42Å; P257-L261 VanDerWaalsContact O-N 3.13Å; L258-L261 HydrophobicContact CD2-CD1 4.21Å; L258-L261 PolarHBondContact O-N 3.35Å; L261-S263 VanDerWaalsContact C-N 3.34Å; L261-S263 PolarHBondContact O-N 2.81Å; L261-C265 WeakPolarHBondContact O-CB 3.4Å; L261-C265 PolarHBondContact O-N 3.2Å; L261-C265 VanDerWaalsContact O-N 3.13Å; L261-C265 PolarHBondContact O-SG 3.45Å; L261-I268 HydrophobicContact CB-CD1 4.27Å
262W95.3Very high92.2Very high88 Ų8843.1 Ų43.133%0.33323%0.229SC..Hα-helixtrans-65-35.4176.9-168.289.5000112.6L258 A260 A269 S272 L275 L278L258-W262 VanDerWaalsContact O-CB 3.27Å; L258-W262 WeakPolarHBondContact O-CB 3.16Å; L258-W262 PolarHBondContact O-N 3.29Å; A260-W262 VanDerWaalsContact C-N 3.31Å; A260-W262 PolarHBondContact O-N 3.11Å; W262-A269 HydrophobicContact CD2-CB 4.29Å; W262-A269 HydrophobicContact CZ2-CB 4.26Å; W262-S272 VanDerWaalsContact CD1-OG 3.22Å; W262-S272 PolarHBondContact NE1-OG 2.94Å; W262-L275 HydrophobicContact CB-CD1 4.31Å; W262-L278 HydrophobicContact CB-CD2 4.04Å; W262-L278 HydrophobicContact CG-CD2 4.47Å
263S93.5Very high92.9Very high87 Ų8740.1 Ų40.161%0.60823%0.234SC*.Hα-helixtrans-81.8-31.2-179.6-170.30000114.5A259 A260 L261A259-S263 VanDerWaalsContact O-CB 3.27Å; A259-S263 WeakPolarHBondContact O-CB 3.2Å; A259-S263 PolarHBondContact O-N 3.42Å; A260-S263 PolarHBondContact O-N 2.87Å; A260-S263 VanDerWaalsContact O-N 3.08Å; L261-S263 VanDerWaalsContact C-N 3.34Å; L261-S263 PolarHBondContact O-N 2.81Å
264F89.8Confident93.5Very high141 Ų14142.4 Ų42.462%0.61825%0.248SC*.Hα-helixtrans-94.8-15.2-176-72.2-65000113.6M193 A260 P266M193-F264 HydrophobicContact CE-CD2 4.39Å; A260-F264 HydrophobicContact CB-CD2 4.09Å; A260-F264 HydrophobicContact CB-CE2 4.22Å; A260-F264 WeakPolarHBondContact O-CB 3.48Å; A260-F264 WeakPolarHBondContact O-CD2 3.37Å; A260-F264 PolarHBondContact O-N 3.03Å; F264-P266 WeakPolarHBondContact O-CD 3.2Å
265C92.6Very high93.8Very high1 Ų145.7 Ų45.71%0.00727%0.265CS..  trans-122.793.3-171.8-46.50000110.5W189 L261 K267 I268 A269W189-C265 VanDerWaalsContact CB-SG 3.55Å; W189-C265 HydrophobicContact CD2-CB 4.19Å; W189-C265 HydrophobicContact CG-CB 4.02Å; L261-C265 WeakPolarHBondContact O-CB 3.4Å; L261-C265 PolarHBondContact O-N 3.2Å; L261-C265 VanDerWaalsContact O-N 3.13Å; L261-C265 PolarHBondContact O-SG 3.45Å; C265-K267 VanDerWaalsContact C-N 3.26Å; C265-K267 PolarHBondContact O-N 3.47Å; C265-K267 VanDerWaalsContact O-N 3.12Å; C265-I268 HydrophobicContact CB-CB 4.07Å; C265-I268 HydrophobicContact CB-CD1 3.63Å; C265-I268 HydrophobicContact CB-CG1 3.8Å; C265-I268 WeakPolarHBondContact O-CB 3.35Å; C265-I268 PolarHBondContact O-N 2.79Å; C265-A269 PolarHBondContact O-N 3.02Å; C265-A269 VanDerWaalsContact O-N 3.17Å
266P92.9Very high94Very high104 Ų10449.4 Ų49.468%0.67529%0.292SS*.Hα-helixtrans-54-37-173.8-29.535.8000114.6F264 I268 A269 E270F264-P266 WeakPolarHBondContact O-CD 3.2Å; P266-I268 PolarHBondContact O-N 3.45Å; P266-A269 WeakPolarHBondContact O-CB 3.48Å; P266-A269 PolarHBondContact O-N 3.29Å; P266-E270 WeakPolarHBondContact O-CB 3.34Å; P266-E270 PolarHBondContact O-N 2.96Å
267K92.9Very high94.1Very high56 Ų5651.3 Ų51.324%0.24330%0.302CS..Hα-helixtrans-66.4-34.6177.5-173.5170.9168.8-165.70112.8L12 E185 C265 L271L12-K267 PolarHBondContact O-NZ 2.91Å; L12-K267 VanDerWaalsContact O-NZ 3.15Å; E185-K267 HydrophobicContact CG-CD 3.93Å; E185-K267 HydrophobicContact CG-CG 4.2Å; E185-K267 WeakPolarHBondContact OE1-CD 3.45Å; E185-K267 VanDerWaalsContact OE1-CE 3.28Å; E185-K267 WeakPolarHBondContact OE1-CE 3.24Å; E185-K267 IonicContact OE1-NZ 3.55Å; E185-K267 PolarHBondContact OE1-NZ 3.35Å; C265-K267 VanDerWaalsContact C-N 3.26Å; C265-K267 PolarHBondContact O-N 3.47Å; C265-K267 VanDerWaalsContact O-N 3.12Å; K267-L271 HydrophobicContact CG-CD1 3.87Å; K267-L271 HydrophobicContact CG-CG 4.32Å; K267-L271 WeakPolarHBondContact O-CB 3.3Å; K267-L271 WeakPolarHBondContact O-CG 3.49Å; K267-L271 PolarHBondContact O-N 3.43Å
268I95.4Very high94.1Very high0 Ų049.8 Ų49.80%029%0.292CS..Hα-helixtrans-67.5-41.3172.5-60.5-179.7000109.7L182 E185 V186 W189 L261 C265 P266 S272 L278L182-I268 HydrophobicContact CD1-CG2 4.13Å; E185-I268 HydrophobicContact CB-CD1 4.38Å; E185-I268 HydrophobicContact CB-CG1 3.89Å; V186-I268 HydrophobicContact CB-CD1 4.49Å; V186-I268 HydrophobicContact CG2-CD1 3.89Å; V186-I268 HydrophobicContact CG2-CG1 4.32Å; V186-I268 HydrophobicContact CG2-CG2 4.13Å; W189-I268 HydrophobicContact CB-CD1 4.28Å; W189-I268 HydrophobicContact CG-CD1 4.45Å; L261-I268 HydrophobicContact CB-CD1 4.27Å; C265-I268 HydrophobicContact CB-CB 4.07Å; C265-I268 HydrophobicContact CB-CD1 3.63Å; C265-I268 HydrophobicContact CB-CG1 3.8Å; C265-I268 WeakPolarHBondContact O-CB 3.35Å; C265-I268 PolarHBondContact O-N 2.79Å; P266-I268 PolarHBondContact O-N 3.45Å; I268-S272 VanDerWaalsContact O-CB 3.31Å; I268-S272 WeakPolarHBondContact O-CB 3.23Å; I268-S272 PolarHBondContact O-N 3.43Å; I268-S272 VanDerWaalsContact O-N 3.09Å; I268-S272 PolarHBondContact O-OG 2.93Å; I268-L278 HydrophobicContact CG2-CD1 3.81Å; I268-L278 HydrophobicContact CG2-CD2 3.85Å; I268-L278 HydrophobicContact CG2-CG 4.5Å
269A94.9Very high94.1Very high24 Ų2454.7 Ų54.720%0.19831%0.311CS..Hα-helixtrans-62.4-44.3176.800000112.3W262 C265 P266 G273W262-A269 HydrophobicContact CD2-CB 4.29Å; W262-A269 HydrophobicContact CZ2-CB 4.26Å; C265-A269 PolarHBondContact O-N 3.02Å; C265-A269 VanDerWaalsContact O-N 3.17Å; P266-A269 WeakPolarHBondContact O-CB 3.48Å; P266-A269 PolarHBondContact O-N 3.29Å; A269-G273 VanDerWaalsContact O-CA 3.27Å; A269-G273 WeakPolarHBondContact O-CA 3.38Å; A269-G273 PolarHBondContact O-N 2.82Å
270E94.1Very high94.1Very high121 Ų12160.1 Ų60.157%0.56532%0.32SS*.Hα-helixtrans-62.6-56176.7-174.1-174.8164.300112P266 S272 G273P266-E270 WeakPolarHBondContact O-CB 3.34Å; P266-E270 PolarHBondContact O-N 2.96Å; E270-S272 VanDerWaalsContact C-N 3.28Å; E270-S272 PolarHBondContact O-N 2.85Å; E270-G273 PolarHBondContact O-N 3.31Å
271L94.3Very high94.1Very high11 Ų1160.5 Ų60.56%0.05832%0.319CS..Hα-helixtrans-63.5-31.3-176.1-69.8172.3000113.3L172 L178 V181 L182 K267L172-L271 HydrophobicContact CD1-CD2 3.91Å; L172-L271 HydrophobicContact CD2-CD2 3.67Å; L172-L271 HydrophobicContact CG-CD2 4.39Å; L178-L271 HydrophobicContact CG-CD2 4.46Å; V181-L271 HydrophobicContact CG1-CD1 3.81Å; L182-L271 HydrophobicContact CB-CD1 4.38Å; L182-L271 HydrophobicContact CD1-CB 4.02Å; L182-L271 HydrophobicContact CD1-CD1 4.48Å; K267-L271 HydrophobicContact CG-CD1 3.87Å; K267-L271 HydrophobicContact CG-CG 4.32Å; K267-L271 WeakPolarHBondContact O-CB 3.3Å; K267-L271 WeakPolarHBondContact O-CG 3.49Å; K267-L271 PolarHBondContact O-N 3.43Å
272S94.8Very high94.2Very high3 Ų360.5 Ų60.52%0.02132%0.319CS..Hα-helixtrans-94.1-25178.966.70000113.9W262 I268 E270 N274 N277W262-S272 VanDerWaalsContact CD1-OG 3.22Å; W262-S272 PolarHBondContact NE1-OG 2.94Å; I268-S272 VanDerWaalsContact O-CB 3.31Å; I268-S272 WeakPolarHBondContact O-CB 3.23Å; I268-S272 PolarHBondContact O-N 3.43Å; I268-S272 VanDerWaalsContact O-N 3.09Å; I268-S272 PolarHBondContact O-OG 2.93Å; E270-S272 VanDerWaalsContact C-N 3.28Å; E270-S272 PolarHBondContact O-N 2.85Å; S272-N274 PolarHBondContact O-N 2.93Å; S272-N277 WeakPolarHBondContact O-CB 3.45Å; S272-N277 PolarHBondContact O-ND2 3.48Å
273G95.3Very high93.8Very high52 Ų5260.1 Ų60.154%0.53633%0.326SS..SBendtrans68.9-36.2-174.900000115.4A269 E270A269-G273 VanDerWaalsContact O-CA 3.27Å; A269-G273 WeakPolarHBondContact O-CA 3.38Å; A269-G273 PolarHBondContact O-N 2.82Å; E270-G273 PolarHBondContact O-N 3.31Å
274N95.3Very high93.4Very high78 Ų7862.8 Ų62.842%0.41733%0.334SS..SBendtrans-159.6160.7174.863.977.3000112.3S272 S276 N277 L278S272-N274 PolarHBondContact O-N 2.93Å; N274-S276 PolarHBondContact O-N 2.94Å; N274-S276 WeakPolarHBondContact OD1-CB 3.35Å; N274-S276 PolarHBondContact OD1-N 3.41Å; N274-N277 PolarHBondContact O-N 3.17Å; N274-N277 VanDerWaalsContact O-N 3.15Å; N274-N277 WeakPolarHBondContact OD1-CB 3.49Å; N274-N277 PolarHBondContact OD1-N 2.9Å; N274-L278 PolarHBondContact O-N 3.48Å
275L94.5Very high93.4Very high70 Ų7058.4 Ų58.437%0.36632%0.315SS..Hα-helixtrans-60-37.2-176.3-17461.6000114.3L258 A259 W262 N277 L278 R279L258-L275 HydrophobicContact CB-CD1 3.73Å; A259-L275 HydrophobicContact CB-CD2 3.94Å; W262-L275 HydrophobicContact CB-CD1 4.31Å; L275-N277 VanDerWaalsContact C-N 3.33Å; L275-N277 PolarHBondContact O-N 3.35Å; L275-L278 HydrophobicContact CD1-CD2 4.19Å; L275-L278 PolarHBondContact O-N 3.05Å; L275-R279 PolarHBondContact O-N 2.69Å
276S94.4Very high93.2Very high95 Ų9564.5 Ų64.566%0.66435%0.354SS*.Hα-helixtrans-65-39177.3-56.40000111.6N274 R280N274-S276 PolarHBondContact O-N 2.94Å; N274-S276 WeakPolarHBondContact OD1-CB 3.35Å; N274-S276 PolarHBondContact OD1-N 3.41Å; S276-R280 WeakPolarHBondContact O-CB 3.47Å; S276-R280 PolarHBondContact O-N 2.83Å; S276-R280 VanDerWaalsContact O-N 3.1Å
277N94.6Very high93Very high40 Ų4066 Ų6621%0.21435%0.353CS..Hα-helixtrans-74.5-38.2175.9-16849.5000111.9S272 N274 L275 R279 R280 L281S272-N277 WeakPolarHBondContact O-CB 3.45Å; S272-N277 PolarHBondContact O-ND2 3.48Å; N274-N277 PolarHBondContact O-N 3.17Å; N274-N277 VanDerWaalsContact O-N 3.15Å; N274-N277 WeakPolarHBondContact OD1-CB 3.49Å; N274-N277 PolarHBondContact OD1-N 2.9Å; L275-N277 VanDerWaalsContact C-N 3.33Å; L275-N277 PolarHBondContact O-N 3.35Å; N277-R279 PolarHBondContact O-N 2.69Å; N277-R280 PolarHBondContact O-N 3.28Å; N277-R280 PolarHBondContact OD1-NE 2.94Å; N277-R280 PolarHBondContact OD1-NH2 3.2Å; N277-L281 WeakPolarHBondContact O-CB 3.29Å; N277-L281 VanDerWaalsContact O-CG 3.25Å; N277-L281 WeakPolarHBondContact O-CG 3.31Å; N277-L281 PolarHBondContact O-N 3.21Å
278L95.8Very high92.9Very high0 Ų064.1 Ų64.10%035%0.346CS..Hα-helixtrans-52.7-54.7171.1177.559.6000110.6L182 V186 L258 W262 I268 N274 L275 R280 L281 L282L182-L278 HydrophobicContact CD1-CD1 3.89Å; L182-L278 HydrophobicContact CD2-CD1 4.22Å; L182-L278 HydrophobicContact CG-CD1 4.35Å; V186-L278 HydrophobicContact CG2-CD1 4.03Å; L258-L278 HydrophobicContact CB-CD2 4.31Å; W262-L278 HydrophobicContact CB-CD2 4.04Å; W262-L278 HydrophobicContact CG-CD2 4.47Å; I268-L278 HydrophobicContact CG2-CD1 3.81Å; I268-L278 HydrophobicContact CG2-CD2 3.85Å; I268-L278 HydrophobicContact CG2-CG 4.5Å; N274-L278 PolarHBondContact O-N 3.48Å; L275-L278 HydrophobicContact CD1-CD2 4.19Å; L275-L278 PolarHBondContact O-N 3.05Å; L278-R280 VanDerWaalsContact C-N 3.35Å; L278-R280 PolarHBondContact O-N 3.22Å; L278-L281 PolarHBondContact O-N 3.4Å; L278-L282 HydrophobicContact CD1-CD1 3.76Å; L278-L282 HydrophobicContact CD1-CG 4.23Å; L278-L282 HydrophobicContact CG-CD1 3.95Å; L278-L282 VanDerWaalsContact O-CG 3.28Å; L278-L282 WeakPolarHBondContact O-CG 3.45Å; L278-L282 PolarHBondContact O-N 3.42Å
279R94.6Very high92.8Very high106 Ų10670.3 Ų70.340%0.437%0.372SS..Hα-helixtrans-54.6-49.8175.8176.8-176.2171.7152.47.2111.5L258 L275 N277 L281 L282 V283 D293 G294L258-R279 HydrophobicContact CD1-CB 4.19Å; L275-R279 PolarHBondContact O-N 2.69Å; N277-R279 PolarHBondContact O-N 2.69Å; R279-L281 VanDerWaalsContact C-N 3.3Å; R279-L281 PolarHBondContact O-N 3.5Å; R279-L282 PolarHBondContact O-N 3.41Å; R279-L282 VanDerWaalsContact O-N 3.1Å; R279-V283 HydrophobicContact CG-CG2 4.09Å; R279-V283 VanDerWaalsContact O-CG2 3.3Å; R279-V283 WeakPolarHBondContact O-CG2 3.37Å; R279-V283 PolarHBondContact O-N 2.89Å; R279-V283 VanDerWaalsContact O-N 3.08Å; R279-D293 PolarHBondContact NH1-O 3.4Å; R279-D293 PolarHBondContact NH2-O 3.01Å; R279-G294 VanDerWaalsContact CD-O 3.32Å; R279-G294 WeakPolarHBondContact CD-O 3.45Å
280R94.2Very high92.7Very high167 Ų16770.9 Ų70.963%0.6337%0.372SS*.Hα-helixtrans-58.4-39.2-179-173.9-175.769.996.5-0.7112.9S276 N277 L278 L282S276-R280 WeakPolarHBondContact O-CB 3.47Å; S276-R280 PolarHBondContact O-N 2.83Å; S276-R280 VanDerWaalsContact O-N 3.1Å; N277-R280 PolarHBondContact O-N 3.28Å; N277-R280 PolarHBondContact OD1-NE 2.94Å; N277-R280 PolarHBondContact OD1-NH2 3.2Å; L278-R280 VanDerWaalsContact C-N 3.35Å; L278-R280 PolarHBondContact O-N 3.22Å; R280-L282 VanDerWaalsContact C-N 3.29Å
281L94.1Very high92.7Very high26 Ų2666.1 Ų66.114%0.13635%0.352CS..Hα-helixtrans-71.9-24.7179.3-68.1168.4000112.5L178 L179 L182 N277 L278 R279 Q285L178-L281 HydrophobicContact CD2-CD1 4.45Å; L179-L281 HydrophobicContact CD2-CB 3.78Å; L179-L281 HydrophobicContact CD2-CD2 3.66Å; L179-L281 HydrophobicContact CD2-CG 4.25Å; L182-L281 HydrophobicContact CD2-CB 3.87Å; L182-L281 HydrophobicContact CD2-CD1 3.56Å; L182-L281 HydrophobicContact CD2-CG 4.35Å; N277-L281 WeakPolarHBondContact O-CB 3.29Å; N277-L281 VanDerWaalsContact O-CG 3.25Å; N277-L281 WeakPolarHBondContact O-CG 3.31Å; N277-L281 PolarHBondContact O-N 3.21Å; L278-L281 PolarHBondContact O-N 3.4Å; R279-L281 VanDerWaalsContact C-N 3.3Å; R279-L281 PolarHBondContact O-N 3.5Å; L281-Q285 VanDerWaalsContact O-CG 3.24Å; L281-Q285 WeakPolarHBondContact O-CG 3.18Å; L281-Q285 PolarHBondContact O-NE2 2.99Å
282L94.7Very high92.4Very high1 Ų175.6 Ų75.61%0.00540%0.396CS..Hα-helixtrans-92.2-22.4-177.5-69.7177.3000115V183 V186 L258 L278 R279 R280 D284 Q285 V288 L290V183-L282 HydrophobicContact CG2-CD2 4.07Å; V186-L282 HydrophobicContact CB-CD2 4.48Å; V186-L282 HydrophobicContact CG1-CD1 4.14Å; V186-L282 HydrophobicContact CG1-CD2 4.23Å; V186-L282 HydrophobicContact CG2-CD1 4.29Å; V186-L282 HydrophobicContact CG2-CD2 4.32Å; L258-L282 HydrophobicContact CD1-CD1 4.36Å; L258-L282 HydrophobicContact CD2-CD1 3.79Å; L278-L282 HydrophobicContact CD1-CD1 3.76Å; L278-L282 HydrophobicContact CD1-CG 4.23Å; L278-L282 HydrophobicContact CG-CD1 3.95Å; L278-L282 VanDerWaalsContact O-CG 3.28Å; L278-L282 WeakPolarHBondContact O-CG 3.45Å; L278-L282 PolarHBondContact O-N 3.42Å; R279-L282 PolarHBondContact O-N 3.41Å; R279-L282 VanDerWaalsContact O-N 3.1Å; R280-L282 VanDerWaalsContact C-N 3.29Å; L282-D284 VanDerWaalsContact C-N 3.26Å; L282-D284 PolarHBondContact O-N 2.83Å; L282-D284 VanDerWaalsContact O-N 3.12Å; L282-Q285 PolarHBondContact O-N 3.5Å; L282-Q285 VanDerWaalsContact O-N 3.16Å; L282-V288 HydrophobicContact CB-CG1 4.16Å; L282-V288 HydrophobicContact CD2-CG1 4.22Å; L282-V288 HydrophobicContact CD2-CG2 4.08Å; L282-L290 HydrophobicContact CB-CD1 4.18Å
283V87.8Confident92.2Very high79 Ų7979.8 Ų79.848%0.47942%0.418SS..THydrogen-bonded Turntrans-59.5-26.6-167.4152.30000115.4R279 L290R279-V283 HydrophobicContact CG-CG2 4.09Å; R279-V283 VanDerWaalsContact O-CG2 3.3Å; R279-V283 WeakPolarHBondContact O-CG2 3.37Å; R279-V283 PolarHBondContact O-N 2.89Å; R279-V283 VanDerWaalsContact O-N 3.08Å; V283-L290 HydrophobicContact CG2-CD1 3.84Å
284D83.9Confident91.9Very high144 Ų14477.5 Ų77.577%0.7740%0.395SS*.THydrogen-bonded Turntrans-11818.3-179.9-60.7-63.7000113.3L282L282-D284 VanDerWaalsContact C-N 3.26Å; L282-D284 PolarHBondContact O-N 2.83Å; L282-D284 VanDerWaalsContact O-N 3.12Å
285Q90.4Very high91.7Very high48 Ų4876.6 Ų76.622%0.22439%0.394CS..  trans-84.6120.1-177.6-60.5-59.8-27.300111.1V183 L281 L282 Q287 V288V183-Q285 HydrophobicContact CG2-CB 4.1Å; V183-Q285 HydrophobicContact CG2-CG 3.71Å; L281-Q285 VanDerWaalsContact O-CG 3.24Å; L281-Q285 WeakPolarHBondContact O-CG 3.18Å; L281-Q285 PolarHBondContact O-NE2 2.99Å; L282-Q285 PolarHBondContact O-N 3.5Å; L282-Q285 VanDerWaalsContact O-N 3.16Å; Q285-Q287 PolarHBondContact O-N 3.13Å; Q285-Q287 VanDerWaalsContact O-N 3.08Å; Q285-V288 HydrophobicContact CB-CB 3.89Å; Q285-V288 HydrophobicContact CB-CG2 3.61Å; Q285-V288 HydrophobicContact CG-CG2 4.5Å; Q285-V288 WeakPolarHBondContact O-CB 3.3Å; Q285-V288 PolarHBondContact O-N 3.03Å
286P88.9Confident91.6Very high129 Ų12973.4 Ų73.484%0.83838%0.379SS*.THydrogen-bonded Turntrans-67.2-18.4-169.826.1-35.6000114.5
287Q87.8Confident91.6Very high137 Ų13769 Ų6964%0.6435%0.348SS*.THydrogen-bonded Turntrans-87.9-6.3176.7-61.6177.7-900112.9V183 L187 Q285V183-Q287 HydrophobicContact CG1-CB 4.4Å; L187-Q287 HydrophobicContact CD1-CB 3.92Å; Q285-Q287 PolarHBondContact O-N 3.13Å; Q285-Q287 VanDerWaalsContact O-N 3.08Å
288V91.9Very high91.5Very high16 Ų1669 Ų6910%0.09735%0.347CS..  trans-115.2119.7-168.51770000108.6V183 L282 Q285 L290 L297V183-V288 HydrophobicContact CG1-CG2 3.93Å; V183-V288 HydrophobicContact CG2-CG2 4.29Å; L282-V288 HydrophobicContact CB-CG1 4.16Å; L282-V288 HydrophobicContact CD2-CG1 4.22Å; L282-V288 HydrophobicContact CD2-CG2 4.08Å; Q285-V288 HydrophobicContact CB-CB 3.89Å; Q285-V288 HydrophobicContact CB-CG2 3.61Å; Q285-V288 HydrophobicContact CG-CG2 4.5Å; Q285-V288 WeakPolarHBondContact O-CB 3.3Å; Q285-V288 PolarHBondContact O-N 3.03Å; V288-L290 HydrophobicContact CG1-CD2 3.9Å; V288-L290 HydrophobicContact CG1-CG 4.01Å; V288-L297 HydrophobicContact CB-CD1 4.29Å; V288-L297 HydrophobicContact CG1-CD1 3.34Å
289K92.9Very high91.2Very high129 Ų12969.9 Ų69.956%0.56135%0.352SS*.  trans-102.2115.4169.6-68.5-173.6177.9-175.40109F253 L297 L298F253-K289 HydrophobicContact CE1-CD 4.43Å; K289-L297 CarbonylContact O-C 3.6Å; K289-L297 WeakPolarHBondContact O-CD1 3.37Å; K289-L298 HydrophobicContact CB-CB 4.11Å; K289-L298 PolarHBondContact O-N 3.04Å
290L93.3Very high90.9Very high37 Ų3769.3 Ų69.319%0.19435%0.353CS..BIsolated β-bridgetrans-96.4156175-64.2179.5000111.2L258 L282 V283 V288 A296 L297L258-L290 HydrophobicContact CD1-CD2 4.15Å; L258-L290 HydrophobicContact CD2-CD2 4.25Å; L282-L290 HydrophobicContact CB-CD1 4.18Å; V283-L290 HydrophobicContact CG2-CD1 3.84Å; V288-L290 HydrophobicContact CG1-CD2 3.9Å; V288-L290 HydrophobicContact CG1-CG 4.01Å; L290-A296 CarbonylContact C-O 3.58Å; L290-A296 WeakPolarHBondContact CA-O 3.37Å; L290-L297 HydrophobicContact CD2-CD1 4.08Å
291S92.7Very high90.2Very high20 Ų2062.2 Ų62.214%0.1433%0.329CS..  trans-61.5158.9167.162.30000111.7D293 G294 S295 A296S291-D293 VanDerWaalsContact CB-OD1 3.24Å; S291-D293 WeakPolarHBondContact CB-OD1 3.28Å; S291-D293 PolarHBondContact O-N 3Å; S291-D293 PolarHBondContact OG-OD1 2.89Å; S291-G294 WeakPolarHBondContact O-CA 3.34Å; S291-G294 PolarHBondContact O-N 3.26Å; S291-G294 PolarHBondContact OG-N 2.71Å; S291-S295 PolarHBondContact OG-N 3.09Å; S291-S295 VanDerWaalsContact OG-N 3.12Å; S291-A296 PolarHBondContact N-O 3.2Å; S291-A296 PolarHBondContact OG-N 3.05Å; S291-A296 VanDerWaalsContact OG-N 3.11Å; S291-A296 PolarHBondContact OG-O 3.36Å
292Q88.9Confident89.1Confident210 Ų21068.8 Ų68.898%0.98136%0.359SS*.THydrogen-bonded Turntrans-57-35-178.5-172.4-177.32200113.4G294Q292-G294 VanDerWaalsContact C-N 3.33Å
293D89.4Confident87.4Confident91 Ų9175.1 Ų75.149%0.48739%0.388SS..THydrogen-bonded Turntrans-85.8-3.6175.771-34.3000113.2R279 S291 S295R279-D293 PolarHBondContact NH1-O 3.4Å; R279-D293 PolarHBondContact NH2-O 3.01Å; S291-D293 VanDerWaalsContact CB-OD1 3.24Å; S291-D293 WeakPolarHBondContact CB-OD1 3.28Å; S291-D293 PolarHBondContact O-N 3Å; S291-D293 PolarHBondContact OG-OD1 2.89Å; D293-S295 VanDerWaalsContact C-N 3.32Å; D293-S295 PolarHBondContact O-N 3.03Å; D293-S295 PolarHBondContact OD1-N 3.37Å; D293-S295 PolarHBondContact OD1-OG 2.94Å; D293-S295 VanDerWaalsContact OD1-OG 3.08Å; D293-S295 WeakPolarHBondContact OD2-CB 3.24Å; D293-S295 PolarHBondContact OD2-OG 3.47Å
294G89.1Confident85.4Confident5 Ų580.2 Ų80.25%0.05241%0.407CS..SBendtrans65.623.5178.600000115.4R279 S291 Q292R279-G294 VanDerWaalsContact CD-O 3.32Å; R279-G294 WeakPolarHBondContact CD-O 3.45Å; S291-G294 WeakPolarHBondContact O-CA 3.34Å; S291-G294 PolarHBondContact O-N 3.26Å; S291-G294 PolarHBondContact OG-N 2.71Å; Q292-G294 VanDerWaalsContact C-N 3.33Å
295S91.8Very high83.2Confident58 Ų5881.9 Ų81.941%0.40641%0.41SS..SBendtrans-94.1-19.5-178.7660000114.2L258 S291 D293L258-S295 WeakPolarHBondContact CB-O 3.13Å; L258-S295 WeakPolarHBondContact CG-O 3.47Å; L258-S295 PolarHBondContact N-O 2.9Å; S291-S295 PolarHBondContact OG-N 3.09Å; S291-S295 VanDerWaalsContact OG-N 3.12Å; D293-S295 VanDerWaalsContact C-N 3.32Å; D293-S295 PolarHBondContact O-N 3.03Å; D293-S295 PolarHBondContact OD1-N 3.37Å; D293-S295 PolarHBondContact OD1-OG 2.94Å; D293-S295 VanDerWaalsContact OD1-OG 3.08Å; D293-S295 WeakPolarHBondContact OD2-CB 3.24Å; D293-S295 PolarHBondContact OD2-OG 3.47Å
296A92.8Very high80.6Confident4 Ų485 Ų853%0.03344%0.435CS..EExtended strand (participates in β ladder)trans-137.6156.1-176.600000112.6V255 V256 L290 S291V255-A296 HydrophobicContact CG1-CB 3.51Å; V256-A296 CarbonylContact O-C 3.56Å; V256-A296 WeakPolarHBondContact O-CA 3.42Å; V256-A296 WeakPolarHBondContact O-CB 3.42Å; L290-A296 CarbonylContact C-O 3.58Å; L290-A296 WeakPolarHBondContact CA-O 3.37Å; S291-A296 PolarHBondContact N-O 3.2Å; S291-A296 PolarHBondContact OG-N 3.05Å; S291-A296 VanDerWaalsContact OG-N 3.11Å; S291-A296 PolarHBondContact OG-O 3.36Å
297L93.8Very high78.3Confident3 Ų387.7 Ų87.72%0.01644%0.436CS..EExtended strand (participates in β ladder)trans-89.5141.8168.4-167.477.5000109.9V186 L187 A190 V256 L258 V288 K289 L290 V299V186-L297 HydrophobicContact CG1-CD2 4.17Å; L187-L297 HydrophobicContact CD2-CD2 4.27Å; A190-L297 HydrophobicContact CB-CD2 3.38Å; V256-L297 HydrophobicContact CB-CB 4.48Å; V256-L297 PolarHBondContact N-O 3.47Å; V256-L297 PolarHBondContact O-N 3.45Å; L258-L297 HydrophobicContact CD2-CB 4.48Å; V288-L297 HydrophobicContact CB-CD1 4.29Å; V288-L297 HydrophobicContact CG1-CD1 3.34Å; K289-L297 CarbonylContact O-C 3.6Å; K289-L297 WeakPolarHBondContact O-CD1 3.37Å; L290-L297 HydrophobicContact CD2-CD1 4.08Å; L297-V299 HydrophobicContact CD2-CG2 3.85Å; L297-V299 HydrophobicContact CG-CG2 4.31Å
298L92.5Very high75.8Confident38 Ų3889.3 Ų89.320%0.19944%0.443CS..EExtended strand (participates in β ladder)trans-105101.9176.3-55.7179.3000109.1F253 V255 K289F253-L298 HydrophobicContact CB-CB 4.48Å; F253-L298 HydrophobicContact CD1-CB 4.06Å; F253-L298 HydrophobicContact CG-CB 4.47Å; V255-L298 HydrophobicContact CG1-CD2 4.45Å; V255-L298 HydrophobicContact CG2-CD2 3.94Å; K289-L298 HydrophobicContact CB-CB 4.11Å; K289-L298 PolarHBondContact O-N 3.04Å
299V90.3Very high73.1Confident19 Ų1994.8 Ų94.812%0.11548%0.477CS..EExtended strand (participates in β ladder)trans-96.2128.4179.3-170.10000108.9A190 E191 K194 F253 A254 V256 L297 C301A190-V299 HydrophobicContact CB-CG2 3.71Å; E191-V299 VanDerWaalsContact OE2-CG1 3.3Å; E191-V299 WeakPolarHBondContact OE2-CG1 3.34Å; K194-V299 HydrophobicContact CD-CB 4.29Å; K194-V299 HydrophobicContact CD-CG1 3.8Å; F253-V299 CarbonylContact C-O 3.53Å; F253-V299 VanDerWaalsContact CA-O 3.31Å; F253-V299 WeakPolarHBondContact CA-O 3.46Å; A254-V299 PolarHBondContact N-O 3.24Å; A254-V299 PolarHBondContact O-N 3Å; V256-V299 HydrophobicContact CG2-CG2 3.92Å; L297-V299 HydrophobicContact CD2-CG2 3.85Å; L297-V299 HydrophobicContact CG-CG2 4.31Å; V299-C301 PolarHBondContact O-N 3.21Å
300K87.8Confident70.2Confident95 Ų9595.5 Ų95.541%0.41349%0.487SS..EExtended strand (participates in β ladder)trans-69.6132177.5178.8171.6166.4166.50110K194 N251 F253K194-K300 PolarHBondContact NZ-O 3.39Å; N251-K300 WeakPolarHBondContact OD1-CE 3.36Å; N251-K300 PolarHBondContact OD1-NZ 2.87Å; F253-K300 HydrophobicContact CD1-CB 4.22Å; F253-K300 HydrophobicContact CE1-CB 3.94Å
301C80.1Confident67.4Low18 Ų1898.7 Ų98.712%0.12251%0.513CS..PPolyproline II helixtrans-83.9120.8159.4-57.30000107.1R252 V299R252-C301 HydrophobicContact CB-CB 4.29Å; R252-C301 WeakPolarHBondContact O-CB 3.46Å; R252-C301 PolarHBondContact O-N 2.98Å; V299-C301 PolarHBondContact O-N 3.21Å
302E70.4Confident64.8Low163 Ų163105.4 Ų105.476%0.76255%0.547SS*.PPolyproline II helixtrans-78.8126.8166.5-64.8-171.5151.100107.4Q304E302-Q304 PolarHBondContact O-N 3.01Å
303E58.2Low62.3Low134 Ų134104.4 Ų104.463%0.62654%0.542SS*.PPolyproline II helixtrans-70.9128.2169.3-63.1-175.9147.200106.9E305E303-E305 PolarHBondContact O-N 2.96Å; E303-E305 VanDerWaalsContact O-N 3.13Å
304Q45.9Very low59.9Low186 Ų186109 Ų10987%0.86956%0.561SS**PPolyproline II helixtrans-60.6116.3164.6-72.5174.6-19.700106.6E302E302-Q304 PolarHBondContact O-N 3.01Å
305E38.2Very low57.2Low179 Ų179118.3 Ų118.384%0.83660%0.603SS**PPolyproline II helixtrans-57.1127.8164.5-70.4-165.2156.900106.9E303 E307E303-E305 PolarHBondContact O-N 2.96Å; E303-E305 VanDerWaalsContact O-N 3.13Å; E305-E307 PolarHBondContact O-N 2.86Å
306P36.7Very low54.3Low115 Ų115122.8 Ų122.875%0.74762%0.623SS**PPolyproline II helixtrans-61.6127.1-179.725-32.7000108.3Q308P306-Q308 PolarHBondContact O-N 3.06Å
307E39Very low51.5Low184 Ų184132 Ų13286%0.8667%0.665SS**PPolyproline II helixtrans-49.5116.7172.8-68.3-177.1159.700108.2E305 T309E305-E307 PolarHBondContact O-N 2.86Å; E307-T309 PolarHBondContact O-N 3.22Å
308Q35.2Very low48.7Very low171 Ų171141.2 Ų141.280%0.79971%0.708SS**  trans-66.7105.8172.1-70-175.210.400106.3P306 D310P306-Q308 PolarHBondContact O-N 3.06Å; Q308-D310 PolarHBondContact O-N 3.1Å
309T35.6Very low45.8Very low132 Ų132147.3 Ų147.381%0.8174%0.741SS**  trans-66.787.1165.552.40000107.2E307 S311E307-T309 PolarHBondContact O-N 3.22Å; T309-S311 PolarHBondContact O-N 3.27Å
310D32.1Very low43.1Very low143 Ų143150.6 Ų150.677%0.76577%0.769SS**  trans-57.4112.7165.2-82.7-32.2000107.1Q308Q308-D310 PolarHBondContact O-N 3.1Å
311S35Very low40.4Very low104 Ų104152.2 Ų152.273%0.72779%0.793SS**  trans-73.7124.1175.650.40000109T309 E313T309-S311 PolarHBondContact O-N 3.27Å; S311-E313 PolarHBondContact O-N 3.28Å; S311-E313 VanDerWaalsContact O-N 3.1Å
312D38.8Very low38Very low161 Ų161156 Ų15686%0.86183%0.825SS**  trans-55.2112.8171.9-56.7-63.1000110.8
313E35Very low36.1Very low189 Ų189155.3 Ų155.388%0.88383%0.832SS**  trans-124.7103.1153-73-166.316100107.8S311S311-E313 PolarHBondContact O-N 3.28Å; S311-E313 VanDerWaalsContact O-N 3.1Å
314E39.1Very low34.7Very low187 Ų187157.5 Ų157.587%0.87484%0.842SS**  trans-66.3136.6168-59.5176.6147.800109.5
315E32.6Very low33.8Very low201 Ų201154.7 Ų154.794%0.93984%0.842SS**  trans-153.1131.7145.4-118.5173.2-150.200110.6
316D32.1Very low33.4Very low153 Ų153151.4 Ų151.482%0.81884%0.838SS**  trans-80.6157.4-173.1-68.3-66000113.6
317E33.4Very low33Very low198 Ų198153.7 Ų153.793%0.92584%0.839SS**  153.8156.9117.7-80.8-158.8155.100114
318E35.4Very low32.5Very low196 Ų196154.3 Ų154.392%0.91684%0.842SS**  trans-72.7150.2-174.6-53.7171.7116.800113.6
319D29.9Very low32.4Very low166 Ų166152.8 Ų152.889%0.88884%0.838SS**  -158.8154.6118.8-153.6-3000111.8
320A34.3Very low32.4Very low87 Ų87154.7 Ų154.772%0.71984%0.837SS**  trans-107.6142.8-176.900000112.6
321S30.4Very low32.9Very low130 Ų130153 Ų15391%0.90983%0.834SS**  trans-152.5141.8148.560.80000112.4
322A30.8Very low33Very low97 Ų97157.4 Ų157.480%0.80284%0.843SS**  trans-106.5146.9-174.100000112.2
323V30Very low32.9Very low149 Ų149157.5 Ų157.590%0.90384%0.838SS**  trans-141.1133.9153.2176.90000109.6
324Q29.6Very low32.8Very low180 Ų180155.8 Ų155.884%0.84184%0.836SS**  trans-90.4148.9178.2-60.2168.4-72.800112.6
325C25.6Very low33Very low126 Ų126157.3 Ų157.385%0.85183%0.833SS**  trans160.4148135.9-91.30000109.5
326S30.2Very low33.6Very low110 Ų110156.5 Ų156.577%0.76983%0.83SS**  cis-163.9154.6-944.90000108.7
327H29.6Very low33.9Very low163 Ų163153.1 Ų153.176%0.75582%0.823SS**  trans-53.9147.7-179.5-75.6-85000115.2
328Q28.2Very low34.2Very low197 Ų197151.2 Ų151.292%0.92182%0.819SS**  -151141.4118.5-107.7166.16.400110.2
329I32.6Very low34.5Very low139 Ų139153.4 Ų153.471%0.71383%0.834SS**  trans-132.8154.6-177.3-61.4173.5000107.1
330E35.3Very low34.7Very low173 Ų173152.8 Ų152.881%0.80883%0.832SS**  trans116.9148158.5-69-165-165.400115.8
331P43.8Very low34.7Very low107 Ų107156.2 Ų156.270%0.69584%0.838SS**  cis-135.1172.7-34.735.6-19.1000113.6
332E35.6Very low34.9Very low197 Ų197157.7 Ų157.792%0.92183%0.834SS**PPolyproline II helixtrans-80.2141.4167.1-65176.8134.700110.4
333E37.8Very low35.2Very low162 Ų162161.2 Ų161.276%0.75784%0.835SS**PPolyproline II helixtrans-95.9125177-73.2-172.814900111.9
334D33Very low35.5Very low154 Ų154162 Ų16282%0.82483%0.831SS**PPolyproline II helixtrans-85.8135179.4-173.211.5000111
335W42.8Very low35.9Very low219 Ų219160.8 Ų160.883%0.8383%0.831SS**  trans-121.147.4-168.8-78.798.2000114.3
336E44.9Very low36.6Very low184 Ų184163.3 Ų163.386%0.8683%0.829SS**  trans-135.389.3164.7-72.6-162.4167.900113.6
337A38.1Very low37.1Very low81 Ų81167.4 Ų167.467%0.66983%0.834SS**  trans-162.7118.2157.200000115
338N39.9Very low37.8Very low159 Ų159167.8 Ų167.885%0.8584%0.84SS**  trans71.4141.7166.5-40-65000115.7
339I41.3Very low38.6Very low241 Ų241165.1 Ų165.1100%1.23683%0.833SS**  cis-131.5023.1-67.8169000110.9

Retrieved 339 of 339 residues in 80.7 ms (Link to these results)

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