A0A5K4EWY8_SCHMA Loading...

purine-nucleoside phosphorylase

AlphaFold DB (A0A3Q0KU65), UniProt , Accession A0A5K4EWY8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 214 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
1M89.8Confident95.6Very high146 Ų14672.5 Ų72.572%0.71935%0.349SS*.  0-70.90-159.5-178.2-67.200112.8D4 Y5 P43M1-D4 WeakPolarHBondContact CA-OD2 3.26Å; M1-D4 PolarHBondContact N-OD2 3.5Å; M1-D4 PolarHBondContact O-N 3.4Å; M1-Y5 PolarHBondContact O-N 3.21Å; M1-P43 HydrophobicContact CG-CB 3.83Å; M1-P43 HydrophobicContact CG-CG 4.24Å; M1-P43 HydrophobicContact SD-CB 3.81Å
2A96.3Very high95.6Very high8 Ų867.9 Ų67.97%0.06633%0.329CS..Hα-helixtrans-62.4-49.7-178.600000113.3D4 Y5 I6 I42 P43 F45 V91A2-D4 VanDerWaalsContact C-N 3.33Å; A2-D4 PolarHBondContact O-N 3.1Å; A2-Y5 WeakPolarHBondContact O-CB 3.32Å; A2-Y5 PolarHBondContact O-N 2.95Å; A2-I6 WeakPolarHBondContact O-CD1 3.37Å; A2-I6 WeakPolarHBondContact O-CG1 3.31Å; A2-I6 PolarHBondContact O-N 3.08Å; A2-I42 HydrophobicContact CB-CG2 3.97Å; A2-P43 WeakPolarHBondContact CB-O 3.27Å; A2-F45 HydrophobicContact CB-CD2 4.41Å; A2-F45 HydrophobicContact CB-CE2 4.2Å; A2-V91 HydrophobicContact CB-CG2 3.79Å
3A96.5Very high95.7Very high6 Ų671.3 Ų71.35%0.0535%0.349CS..Hα-helixtrans-60.3-40.2176.900000112.3I6 K7 V91 L94 L95A3-I6 PolarHBondContact O-N 2.76Å; A3-K7 WeakPolarHBondContact O-CB 3.18Å; A3-K7 VanDerWaalsContact O-CG 3.29Å; A3-K7 WeakPolarHBondContact O-CG 3.46Å; A3-K7 PolarHBondContact O-N 3.32Å; A3-V91 HydrophobicContact CB-CG1 4.4Å; A3-L94 HydrophobicContact CB-CB 3.83Å; A3-L94 HydrophobicContact CB-CD1 4.41Å; A3-L95 HydrophobicContact CB-CD2 4.35Å
4D96.1Very high95.9Very high89 Ų8966.2 Ų66.248%0.47632%0.324SS..Hα-helixtrans-66.9-38.9178.3-48-48.6000112M1 A2 R8M1-D4 WeakPolarHBondContact CA-OD2 3.26Å; M1-D4 PolarHBondContact N-OD2 3.5Å; M1-D4 PolarHBondContact O-N 3.4Å; A2-D4 VanDerWaalsContact C-N 3.33Å; A2-D4 PolarHBondContact O-N 3.1Å; D4-R8 WeakPolarHBondContact O-CB 3.46Å; D4-R8 PolarHBondContact O-N 2.95Å; D4-R8 VanDerWaalsContact O-N 3.12Å
5Y97.6Very high96Very high58 Ų5866.3 Ų66.323%0.22733%0.326CS..Hα-helixtrans-59.7-49.8171.9175.6-96.4000110.9M1 A2 R8 V9 I37 N41 I42 P43M1-Y5 PolarHBondContact O-N 3.21Å; A2-Y5 WeakPolarHBondContact O-CB 3.32Å; A2-Y5 PolarHBondContact O-N 2.95Å; Y5-R8 PolarHBondContact O-N 3.12Å; Y5-V9 HydrophobicContact CD1-CG2 4.48Å; Y5-V9 HydrophobicContact CD2-CG2 4.34Å; Y5-V9 HydrophobicContact CE1-CG2 4.1Å; Y5-V9 HydrophobicContact CE2-CG2 3.93Å; Y5-V9 VanDerWaalsContact O-CG2 3.31Å; Y5-V9 WeakPolarHBondContact O-CG2 3.49Å; Y5-V9 PolarHBondContact O-N 2.9Å; Y5-V9 VanDerWaalsContact O-N 3.08Å; Y5-I37 HydrophobicContact CE1-CG2 3.9Å; Y5-N41 WeakPolarHBondContact CE1-O 3.44Å; Y5-N41 PolarHBondContact OH-O 2.82Å; Y5-I42 HydrophobicContact CD1-CB 4.44Å; Y5-I42 HydrophobicContact CD1-CG1 4.3Å; Y5-I42 HydrophobicContact CD1-CG2 4.31Å; Y5-I42 HydrophobicContact CE1-CG1 4.15Å; Y5-P43 HydrophobicContact CG-CG 4.33Å
6I97.6Very high96.2Very high0 Ų063.8 Ų63.80%031%0.314CS..Hα-helixtrans-61.4-47.7179.8-65.9158.4000111A2 A3 R8 V9 S10 I37 I42 L57 L59 V91 L95A2-I6 WeakPolarHBondContact O-CD1 3.37Å; A2-I6 WeakPolarHBondContact O-CG1 3.31Å; A2-I6 PolarHBondContact O-N 3.08Å; A3-I6 PolarHBondContact O-N 2.76Å; I6-R8 VanDerWaalsContact C-N 3.3Å; I6-R8 PolarHBondContact O-N 3.14Å; I6-V9 PolarHBondContact O-N 3.27Å; I6-V9 VanDerWaalsContact O-N 3.1Å; I6-S10 PolarHBondContact O-N 3.4Å; I6-S10 PolarHBondContact O-OG 3.16Å; I6-S10 VanDerWaalsContact O-OG 3.04Å; I6-I37 HydrophobicContact CG1-CD1 4.44Å; I6-I37 HydrophobicContact CG2-CD1 4.09Å; I6-I42 HydrophobicContact CD1-CD1 4.25Å; I6-I42 HydrophobicContact CD1-CG2 3.99Å; I6-I42 HydrophobicContact CG1-CD1 4.26Å; I6-I42 HydrophobicContact CG1-CG1 4.48Å; I6-I42 HydrophobicContact CG1-CG2 4.14Å; I6-L57 HydrophobicContact CD1-CD2 3.53Å; I6-L57 HydrophobicContact CG1-CD2 4.15Å; I6-L57 HydrophobicContact CG2-CD2 4.42Å; I6-L59 HydrophobicContact CG2-CD1 4.02Å; I6-L59 HydrophobicContact CG2-CD2 3.71Å; I6-V91 HydrophobicContact CD1-CG1 3.48Å; I6-V91 VanDerWaalsContact CD1-CG1 3.48Å; I6-L95 HydrophobicContact CB-CD1 4.48Å; I6-L95 HydrophobicContact CB-CD2 4.12Å; I6-L95 HydrophobicContact CD1-CD1 4.18Å; I6-L95 HydrophobicContact CG2-CD1 3.87Å; I6-L95 HydrophobicContact CG2-CD2 3.86Å
7K96.9Very high96.3Very high78 Ų7860.1 Ų60.134%0.33930%0.296SS..Hα-helixtrans-55-44.7178.1-74.4173.8-174.3176.80111.9A3 V9 N11 L13 L94 L95A3-K7 WeakPolarHBondContact O-CB 3.18Å; A3-K7 VanDerWaalsContact O-CG 3.29Å; A3-K7 WeakPolarHBondContact O-CG 3.46Å; A3-K7 PolarHBondContact O-N 3.32Å; K7-V9 PolarHBondContact O-N 3.01Å; K7-N11 WeakPolarHBondContact O-CA 3.36Å; K7-N11 PolarHBondContact O-N 3.32Å; K7-L13 HydrophobicContact CD-CD2 4.38Å; K7-L13 HydrophobicContact CG-CD2 4.2Å; K7-L94 WeakPolarHBondContact CE-O 3.27Å; K7-L94 PolarHBondContact NZ-O 2.94Å; K7-L95 HydrophobicContact CD-CD2 4.45Å; K7-L95 HydrophobicContact CG-CD2 3.71Å
8R96Very high96.2Very high194 Ų19457.6 Ų57.673%0.73228%0.284SS*.Hα-helixtrans-67.8-32.6179.2178.7170.235.4-174.3-10.8113.2D4 Y5 I6D4-R8 WeakPolarHBondContact O-CB 3.46Å; D4-R8 PolarHBondContact O-N 2.95Å; D4-R8 VanDerWaalsContact O-N 3.12Å; Y5-R8 PolarHBondContact O-N 3.12Å; I6-R8 VanDerWaalsContact C-N 3.3Å; I6-R8 PolarHBondContact O-N 3.14Å
9V96.6Very high96.1Very high45 Ų4554.6 Ų54.627%0.27327%0.269SS..Hα-helixtrans-86.6-33.3-176.8172.90000112.7Y5 I6 K7 K35 I37Y5-V9 HydrophobicContact CD1-CG2 4.48Å; Y5-V9 HydrophobicContact CD2-CG2 4.34Å; Y5-V9 HydrophobicContact CE1-CG2 4.1Å; Y5-V9 HydrophobicContact CE2-CG2 3.93Å; Y5-V9 VanDerWaalsContact O-CG2 3.31Å; Y5-V9 WeakPolarHBondContact O-CG2 3.49Å; Y5-V9 PolarHBondContact O-N 2.9Å; Y5-V9 VanDerWaalsContact O-N 3.08Å; I6-V9 PolarHBondContact O-N 3.27Å; I6-V9 VanDerWaalsContact O-N 3.1Å; K7-V9 PolarHBondContact O-N 3.01Å; V9-K35 VanDerWaalsContact CG1-CE 3.46Å; V9-K35 HydrophobicContact CG1-CG 4.34Å; V9-K35 VanDerWaalsContact O-CE 3.32Å; V9-K35 WeakPolarHBondContact O-CE 3.35Å; V9-I37 HydrophobicContact CB-CD1 4.13Å; V9-I37 HydrophobicContact CG1-CD1 3.82Å; V9-I37 HydrophobicContact CG1-CG1 4.03Å
10S95Very high95.5Very high17 Ų1752.4 Ų52.412%0.11926%0.259CS..Hα-helixtrans-99.3-32.4-175.970.30000114.3I6 V12I6-S10 PolarHBondContact O-N 3.4Å; I6-S10 PolarHBondContact O-OG 3.16Å; I6-S10 VanDerWaalsContact O-OG 3.04Å; S10-V12 PolarHBondContact O-N 3Å; S10-V12 VanDerWaalsContact O-N 3.14Å; S10-V12 PolarHBondContact OG-N 3.32Å; S10-V12 VanDerWaalsContact OG-N 3.08Å
11N93.2Very high94.6Very high156 Ų15650.1 Ų50.183%0.83425%0.249SC*.  trans53.421.5-165-155.740.6000114K7K7-N11 WeakPolarHBondContact O-CA 3.36Å; K7-N11 PolarHBondContact O-N 3.32Å
12V95.5Very high93.7Very high18 Ų1846.2 Ų46.211%0.10924%0.236CC..  trans-108.8128.2178.4177.80000109.3S10 P14 L59 K66S10-V12 PolarHBondContact O-N 3Å; S10-V12 VanDerWaalsContact O-N 3.14Å; S10-V12 PolarHBondContact OG-N 3.32Å; S10-V12 VanDerWaalsContact OG-N 3.08Å; V12-P14 WeakPolarHBondContact O-CD 3.49Å; V12-L59 HydrophobicContact CB-CB 4.14Å; V12-L59 HydrophobicContact CB-CD2 4.27Å; V12-L59 HydrophobicContact CG1-CB 4.25Å; V12-L59 HydrophobicContact CG2-CB 4.44Å; V12-K66 HydrophobicContact CG1-CB 4.17Å; V12-K66 HydrophobicContact CG1-CD 4.3Å
13L97.2Very high92.4Very high112 Ų11249.9 Ų49.959%0.58627%0.274SS*.  trans-104.898.5169.3-63.6178.3000108.5K7 K66K7-L13 HydrophobicContact CD-CD2 4.38Å; K7-L13 HydrophobicContact CG-CD2 4.2Å; L13-K66 WeakPolarHBondContact O-CB 3.47Å
14P98.2Very high91.2Very high0 Ų053.1 Ų53.10%029%0.291CS..  trans-79.2139.8-176.232.9-36.5000112.1V12 L59 K66 V68 L95 G96 V97V12-P14 WeakPolarHBondContact O-CD 3.49Å; P14-L59 HydrophobicContact CG-CD2 4.46Å; P14-K66 WeakPolarHBondContact CA-O 3.46Å; P14-V68 HydrophobicContact CB-CB 3.91Å; P14-V68 HydrophobicContact CB-CG1 3.79Å; P14-V68 HydrophobicContact CG-CB 3.83Å; P14-V68 HydrophobicContact CG-CG1 3.61Å; P14-L95 HydrophobicContact CG-CB 3.95Å; P14-G96 CarbonylContact O-C 3.54Å; P14-V97 HydrophobicContact CB-CG2 4.26Å; P14-V97 HydrophobicContact CG-CG2 4Å; P14-V97 PolarHBondContact O-N 3.12Å
15D97.9Very high90.4Very high68 Ų6850.2 Ų50.236%0.36428%0.282SS..SBendtrans-94-22.1172-62.4-59.1000112.1K66 R98 V99D15-K66 PolarHBondContact N-O 3.38Å; D15-R98 PolarHBondContact O-N 2.88Å; D15-V99 PolarHBondContact O-N 2.84Å
16I98.4Very high89.8Confident26 Ų2655 Ų5513%0.13330%0.304CS..EExtended strand (participates in β ladder)trans-125.3129.5-174-55.8172.6000109.9I18 R65 K66 V67 V68 V99 L101I16-I18 HydrophobicContact CG2-CG1 4.21Å; I16-R65 HydrophobicContact CD1-CB 4.28Å; I16-K66 PolarHBondContact N-O 3.35Å; I16-V67 HydrophobicContact CB-CG1 4.2Å; I16-V67 CarbonylContact O-C 3.48Å; I16-V67 VanDerWaalsContact O-CA 3.28Å; I16-V67 WeakPolarHBondContact O-CA 3.4Å; I16-V68 PolarHBondContact O-N 3.22Å; I16-V99 CarbonylContact C-O 3.46Å; I16-V99 WeakPolarHBondContact CA-O 3.35Å; I16-V99 HydrophobicContact CG1-CB 4.46Å; I16-L101 HydrophobicContact CG2-CD1 4.03Å; I16-L101 HydrophobicContact CG2-CG 4.09Å
17G97.9Very high89.3Confident0 Ų058.5 Ų58.50%032%0.322CS..EExtended strand (participates in β ladder)trans-96.5143.6169.100000110.7V68 V97 V99 L100 L101G17-V68 CarbonylContact C-O 3.47Å; G17-V68 VanDerWaalsContact CA-O 3.29Å; G17-V68 WeakPolarHBondContact CA-O 3.4Å; G17-V97 VanDerWaalsContact N-CG1 3.29Å; G17-V99 PolarHBondContact N-O 2.62Å; G17-L100 WeakPolarHBondContact O-CA 3.29Å; G17-L101 PolarHBondContact O-N 3.04Å
18I95.7Very high89Confident15 Ų1554.9 Ų54.98%0.07731%0.307CS..EExtended strand (participates in β ladder)trans-131.5131.5178.2-53.3177.4000109.9I16 L27 V67 V68 A69 M70 L101I16-I18 HydrophobicContact CG2-CG1 4.21Å; I18-L27 HydrophobicContact CD1-CD2 4.17Å; I18-L27 HydrophobicContact CG2-CD2 4.39Å; I18-V67 HydrophobicContact CD1-CB 4.26Å; I18-V67 HydrophobicContact CD1-CG1 4.31Å; I18-V68 PolarHBondContact N-O 3.31Å; I18-A69 HydrophobicContact CB-CB 4.2Å; I18-A69 VanDerWaalsContact O-CA 3.27Å; I18-A69 WeakPolarHBondContact O-CA 3.21Å; I18-M70 PolarHBondContact O-N 3.16Å; I18-L101 CarbonylContact C-O 3.58Å; I18-L101 WeakPolarHBondContact CA-O 3.22Å
19I92.7Very high88.7Confident1 Ų150.6 Ų50.61%0.00530%0.295CS..EExtended strand (participates in β ladder)trans-126.1104.7174.6-57.1176.9000108.7M70 R73 I89 L100 L101 I102 T103 F209 Y213I19-M70 HydrophobicContact CD1-SD 4.07Å; I19-M70 HydrophobicContact CG1-CB 4.37Å; I19-M70 HydrophobicContact CG1-CG 4.41Å; I19-M70 HydrophobicContact CG1-SD 4.16Å; I19-R73 HydrophobicContact CG2-CG 3.87Å; I19-R73 PolarHBondContact O-NH2 3.05Å; I19-I89 HydrophobicContact CD1-CD1 3.56Å; I19-L100 HydrophobicContact CD1-CD1 4Å; I19-L100 HydrophobicContact CD1-CD2 4.3Å; I19-L100 HydrophobicContact CG1-CD1 4.08Å; I19-L101 PolarHBondContact N-O 3.3Å; I19-I102 HydrophobicContact CB-CG1 4.49Å; I19-I102 HydrophobicContact CB-CG2 4.43Å; I19-T103 PolarHBondContact O-N 3.01Å; I19-T103 VanDerWaalsContact O-N 3.1Å; I19-F209 HydrophobicContact CG2-CE1 4.15Å; I19-F209 HydrophobicContact CG2-CZ 3.98Å; I19-Y213 HydrophobicContact CD1-CD2 4.39Å; I19-Y213 HydrophobicContact CD1-CE2 3.65Å
20C85.3Confident88.5Confident11 Ų1153.4 Ų53.47%0.07431%0.308CS..PPolyproline II helixtrans-91.5136.2-171.6-70.40000113.9L24 I28 R73 T103C20-L24 VanDerWaalsContact CB-O 3.32Å; C20-L24 WeakPolarHBondContact CB-O 3.46Å; C20-L24 PolarHBondContact SG-O 3.41Å; C20-L24 VanDerWaalsContact SG-O 3.4Å; C20-I28 HydrophobicContact CB-CD1 4.15Å; C20-R73 PolarHBondContact O-NE 3.44Å; C20-R73 PolarHBondContact O-NH2 3.35Å; C20-T103 WeakPolarHBondContact CA-OG1 3.2Å
21G75.9Confident88.5Confident5 Ų553 Ų535%0.05231%0.305CS..PPolyproline II helixtrans-51.6159.9175.600000114.1G23 L24 R73 T103G21-G23 PolarHBondContact O-N 3Å; G21-L24 PolarHBondContact O-N 2.73Å; G21-R73 VanDerWaalsContact CA-NH2 3.27Å; G21-R73 VanDerWaalsContact N-CZ 3.33Å; G21-T103 PolarHBondContact N-OG1 2.94Å
22S70.7Confident88.7Confident64 Ų6451 Ų5145%0.44829%0.29SS..THydrogen-bonded Turntrans-51.8124.6158.8-54.50000108.6L24 L105S22-L24 VanDerWaalsContact C-N 3.27Å; S22-L24 PolarHBondContact O-N 3.08Å; S22-L105 WeakPolarHBondContact O-CD1 3.43Å
23G70.1Confident88.7Confident84 Ų8457.7 Ų57.787%0.86632%0.32SS*.THydrogen-bonded Turntrans80-8.8-176.300000116.2G21G21-G23 PolarHBondContact O-N 3Å
24L70.7Confident88.6Confident74 Ų7457.4 Ų57.439%0.38731%0.311SS..  trans-102.717.3-178.3-56.7178.4000113C20 G21 S22 K26 T103C20-L24 VanDerWaalsContact CB-O 3.32Å; C20-L24 WeakPolarHBondContact CB-O 3.46Å; C20-L24 PolarHBondContact SG-O 3.41Å; C20-L24 VanDerWaalsContact SG-O 3.4Å; G21-L24 PolarHBondContact O-N 2.73Å; S22-L24 VanDerWaalsContact C-N 3.27Å; S22-L24 PolarHBondContact O-N 3.08Å; L24-K26 VanDerWaalsContact C-N 3.34Å; L24-K26 PolarHBondContact O-N 2.92Å; L24-T103 HydrophobicContact CD1-CG2 4.37Å; L24-T103 WeakPolarHBondContact CD1-OG1 3.42Å
25G78.7Confident88.5Confident28 Ų2861.8 Ų61.829%0.28933%0.33SS..THydrogen-bonded Turntrans-79.3-8.7-176.100000115.2L27 I28G25-L27 PolarHBondContact O-N 3.46Å; G25-I28 VanDerWaalsContact O-CB 3.28Å; G25-I28 WeakPolarHBondContact O-CB 3.22Å; G25-I28 PolarHBondContact O-N 3.38Å
26K86Confident88.5Confident159 Ų15961.2 Ų61.269%0.69133%0.329SS*.Hα-helixtrans-57.3-35.3-176.4-171.1177.7177.7-175.80112.6L24 I28 E29 D30L24-K26 VanDerWaalsContact C-N 3.34Å; L24-K26 PolarHBondContact O-N 2.92Å; K26-I28 PolarHBondContact O-N 2.81Å; K26-I28 VanDerWaalsContact O-N 3.12Å; K26-E29 WeakPolarHBondContact O-CA 3.4Å; K26-E29 VanDerWaalsContact O-CB 3.27Å; K26-E29 WeakPolarHBondContact O-CB 3.49Å; K26-E29 PolarHBondContact O-N 3.05Å; K26-D30 PolarHBondContact O-N 2.93Å
27L86.3Confident88.4Confident73 Ų7360.1 Ų60.138%0.38232%0.324SS..Hα-helixtrans-55.2-31.7174.5-179.964000113.1I18 G25 E29 D30I18-L27 HydrophobicContact CD1-CD2 4.17Å; I18-L27 HydrophobicContact CG2-CD2 4.39Å; G25-L27 PolarHBondContact O-N 3.46Å; L27-E29 VanDerWaalsContact C-N 3.28Å; L27-D30 PolarHBondContact O-N 2.9Å
28I90.2Very high88.2Confident3 Ų362.3 Ų62.32%0.01534%0.338CS..Hα-helixtrans-71.9-27.5179-54.3179.7000111C20 G25 K26 D30 I31 R34 V58 A69 Q71C20-I28 HydrophobicContact CB-CD1 4.15Å; G25-I28 VanDerWaalsContact O-CB 3.28Å; G25-I28 WeakPolarHBondContact O-CB 3.22Å; G25-I28 PolarHBondContact O-N 3.38Å; K26-I28 PolarHBondContact O-N 2.81Å; K26-I28 VanDerWaalsContact O-N 3.12Å; I28-D30 VanDerWaalsContact C-N 3.3Å; I28-I31 HydrophobicContact CB-CD1 4.44Å; I28-I31 HydrophobicContact CG2-CD1 4.11Å; I28-R34 PolarHBondContact O-NH1 2.92Å; I28-V58 HydrophobicContact CG2-CB 3.76Å; I28-V58 HydrophobicContact CG2-CG1 3.98Å; I28-V58 HydrophobicContact CG2-CG2 3.59Å; I28-A69 HydrophobicContact CD1-CB 4.01Å; I28-A69 HydrophobicContact CG1-CB 3.9Å; I28-A69 HydrophobicContact CG2-CB 4.36Å; I28-Q71 HydrophobicContact CD1-CB 3.93Å; I28-Q71 HydrophobicContact CD1-CG 4.14Å; I28-Q71 HydrophobicContact CG2-CB 4.17Å; I28-Q71 HydrophobicContact CG2-CG 4.25Å
29E90.4Very high88.2Confident104 Ų10461.8 Ų61.849%0.48634%0.335SS..Hα-helixtrans-66.8-35.2174-64-74.117800111.9K26 L27 I31 R34K26-E29 WeakPolarHBondContact O-CA 3.4Å; K26-E29 VanDerWaalsContact O-CB 3.27Å; K26-E29 WeakPolarHBondContact O-CB 3.49Å; K26-E29 PolarHBondContact O-N 3.05Å; L27-E29 VanDerWaalsContact C-N 3.28Å; E29-I31 VanDerWaalsContact C-N 3.34Å; E29-I31 PolarHBondContact O-N 2.84Å; E29-R34 PolarHBondContact O-NH1 2.84Å; E29-R34 IonicContact OE2-CZ 3.22Å; E29-R34 IonicContact OE2-NH1 2.67Å; E29-R34 PolarHBondContact OE2-NH1 3.49Å; E29-R34 IonicContact OE2-NH2 3.82Å; E29-R34 PolarHBondContact OE2-NH2 2.89Å
30D92.8Very high88.3Confident103 Ų10367.3 Ų67.355%0.55136%0.364SS*.THydrogen-bonded Turntrans-88.15.7-174.9-58.6-35.1000113.7K26 L27 I28 E32K26-D30 PolarHBondContact O-N 2.93Å; L27-D30 PolarHBondContact O-N 2.9Å; I28-D30 VanDerWaalsContact C-N 3.3Å; D30-E32 PolarHBondContact O-N 3.09Å
31I95.6Very high88.7Confident9 Ų971 Ų715%0.04638%0.382CS..  trans-66.8123.3176-63.7176.1000109.8I28 E29 R34 V58 V62 V67 A69I28-I31 HydrophobicContact CB-CD1 4.44Å; I28-I31 HydrophobicContact CG2-CD1 4.11Å; E29-I31 VanDerWaalsContact C-N 3.34Å; E29-I31 PolarHBondContact O-N 2.84Å; I31-R34 HydrophobicContact CB-CB 4.14Å; I31-R34 HydrophobicContact CG2-CB 3.85Å; I31-R34 WeakPolarHBondContact O-CB 3.44Å; I31-V58 HydrophobicContact CD1-CB 4.32Å; I31-V58 HydrophobicContact CD1-CG1 3.86Å; I31-V62 HydrophobicContact CB-CG2 4.5Å; I31-V62 HydrophobicContact CG1-CG2 3.89Å; I31-V67 HydrophobicContact CD1-CG2 4.11Å; I31-V67 HydrophobicContact CG1-CG2 4.38Å; I31-V67 HydrophobicContact CG2-CG2 4.32Å; I31-A69 HydrophobicContact CD1-CB 3.93Å
32E96.5Very high89.7Confident115 Ų11571 Ų7154%0.53738%0.381SS..EExtended strand (participates in β ladder)trans-76.5148.2179.5-61.6169.6-17000111.6D30 R34 G60 S61D30-E32 PolarHBondContact O-N 3.09Å; E32-R34 PolarHBondContact O-N 3.13Å; E32-R34 VanDerWaalsContact O-N 3.09Å; E32-G60 WeakPolarHBondContact O-CA 3.38Å; E32-S61 WeakPolarHBondContact CB-O 3.37Å; E32-S61 PolarHBondContact N-O 2.89Å; E32-S61 PolarHBondContact O-N 2.72Å
33E95.2Very high90.8Very high158 Ų15869.8 Ų69.874%0.73837%0.372SS*.EExtended strand (participates in β ladder)trans50.534.3-179.8-55.5-179.2115.500112.8K66E33-K66 IonicContact OE2-NZ 2.95Å
34R94.8Very high91.9Very high105 Ų10571.2 Ų71.240%0.39636%0.36SS..EExtended strand (participates in β ladder)trans-68.4137.7-166.269.4-179.3-176.1178.1-4.4113.6I28 E29 I31 E32 V36 V58 L59I28-R34 PolarHBondContact O-NH1 2.92Å; E29-R34 PolarHBondContact O-NH1 2.84Å; E29-R34 IonicContact OE2-CZ 3.22Å; E29-R34 IonicContact OE2-NH1 2.67Å; E29-R34 PolarHBondContact OE2-NH1 3.49Å; E29-R34 IonicContact OE2-NH2 3.82Å; E29-R34 PolarHBondContact OE2-NH2 2.89Å; I31-R34 HydrophobicContact CB-CB 4.14Å; I31-R34 HydrophobicContact CG2-CB 3.85Å; I31-R34 WeakPolarHBondContact O-CB 3.44Å; E32-R34 PolarHBondContact O-N 3.13Å; E32-R34 VanDerWaalsContact O-N 3.09Å; R34-V36 HydrophobicContact CG-CG2 4.43Å; R34-V58 HydrophobicContact CB-CG1 3.98Å; R34-L59 CarbonylContact C-O 3.59Å; R34-L59 VanDerWaalsContact CA-O 3.22Å; R34-L59 WeakPolarHBondContact CA-O 3.29Å
35K97.4Very high93Very high92 Ų9268.6 Ų68.640%0.435%0.345SS..EExtended strand (participates in β ladder)trans-105.9116.1162.5-169.971.1177.1-1780109.7V9 I37 V58 L59V9-K35 VanDerWaalsContact CG1-CE 3.46Å; V9-K35 HydrophobicContact CG1-CG 4.34Å; V9-K35 VanDerWaalsContact O-CE 3.32Å; V9-K35 WeakPolarHBondContact O-CE 3.35Å; K35-I37 HydrophobicContact CG-CD1 4.36Å; K35-I37 HydrophobicContact CG-CG1 4Å; K35-V58 WeakPolarHBondContact O-CA 3.38Å; K35-L59 PolarHBondContact N-O 3.21Å; K35-L59 PolarHBondContact O-N 3.36Å
36V96.6Very high93.5Very high56 Ų5667.7 Ų67.734%0.33933%0.334SS..EExtended strand (participates in β ladder)trans-93.5124.1174.1-175.60000108.9R34 N56 V58R34-V36 HydrophobicContact CG-CG2 4.43Å; V36-N56 HydrophobicContact CG1-CB 3.71Å; V36-V58 HydrophobicContact CG1-CG2 4.36Å; V36-V58 HydrophobicContact CG2-CG1 4.29Å; V36-V58 HydrophobicContact CG2-CG2 4.28Å
37I96.7Very high93.3Very high4 Ų466.9 Ų66.92%0.02133%0.331CS..EExtended strand (participates in β ladder)trans-123.8107.3-179.8-50179.3000108.6Y5 I6 V9 K35 Y39 I42 L57 L59Y5-I37 HydrophobicContact CE1-CG2 3.9Å; I6-I37 HydrophobicContact CG1-CD1 4.44Å; I6-I37 HydrophobicContact CG2-CD1 4.09Å; V9-I37 HydrophobicContact CB-CD1 4.13Å; V9-I37 HydrophobicContact CG1-CD1 3.82Å; V9-I37 HydrophobicContact CG1-CG1 4.03Å; K35-I37 HydrophobicContact CG-CD1 4.36Å; K35-I37 HydrophobicContact CG-CG1 4Å; I37-Y39 PolarHBondContact O-N 3.3Å; I37-I42 HydrophobicContact CB-CD1 4.35Å; I37-I42 HydrophobicContact CG2-CD1 3.86Å; I37-I42 HydrophobicContact CG2-CG1 3.56Å; I37-L57 PolarHBondContact N-O 3.15Å; I37-L57 PolarHBondContact O-N 2.9Å; I37-L59 HydrophobicContact CD1-CD1 3.87Å; I37-L59 HydrophobicContact CG1-CD1 4.4Å
38P94.7Very high92.8Very high46 Ų4664.9 Ų64.930%0.29932%0.322SS..EExtended strand (participates in β ladder)trans-57.6137.3175.9-25.935.1000112.1I40 N41 N56P38-I40 HydrophobicContact CB-CG2 4.03Å; P38-I40 PolarHBondContact O-N 2.96Å; P38-N41 WeakPolarHBondContact O-CB 3.31Å; P38-N41 PolarHBondContact O-N 3.01Å; P38-N56 VanDerWaalsContact CA-OD1 3.26Å; P38-N56 WeakPolarHBondContact CA-OD1 3.37Å
39Y94.8Very high92Very high4 Ų469.7 Ų69.72%0.01635%0.351CS..G310 helixtrans-56.1-37.9-179.8-67.7-16000112.2I37 N41 I42 F45 T48 G55 N56 L57 M70 G72I37-Y39 PolarHBondContact O-N 3.3Å; Y39-N41 PolarHBondContact O-N 2.95Å; Y39-N41 VanDerWaalsContact O-N 3.12Å; Y39-I42 HydrophobicContact CD1-CD1 4.35Å; Y39-I42 PolarHBondContact O-N 2.95Å; Y39-F45 AromaticContact CD1-CD1 3.67Å; Y39-F45 HydrophobicContact CD1-CD1 3.67Å; Y39-F45 HydrophobicContact CD1-CE1 4.02Å; Y39-F45 HydrophobicContact CE1-CD1 4.23Å; Y39-F45 HydrophobicContact CE1-CE1 4.17Å; Y39-F45 AromaticContact CG-CD1 3.98Å; Y39-F45 HydrophobicContact CG-CD1 3.98Å; Y39-F45 WeakPolarHBondContact O-CB 3.28Å; Y39-T48 HydrophobicContact CD2-CG2 3.85Å; Y39-T48 HydrophobicContact CE2-CG2 3.71Å; Y39-G55 WeakPolarHBondContact CB-O 3.46Å; Y39-G55 VanDerWaalsContact CD2-C 3.49Å; Y39-G55 VanDerWaalsContact CD2-CA 3.45Å; Y39-G55 VanDerWaalsContact CE2-CA 3.5Å; Y39-G55 PolarHBondContact N-O 2.85Å; Y39-N56 WeakPolarHBondContact CE1-O 3.13Å; Y39-N56 VanDerWaalsContact CZ-O 3.28Å; Y39-N56 PolarHBondContact OH-O 2.97Å; Y39-L57 HydrophobicContact CD1-CB 4.33Å; Y39-L57 HydrophobicContact CE1-CB 3.95Å; Y39-L57 HydrophobicContact CE1-CD1 4.35Å; Y39-L57 VanDerWaalsContact CE1-N 3.25Å; Y39-M70 WeakPolarHBondContact OH-CA 3.36Å; Y39-M70 WeakPolarHBondContact OH-CB 3.4Å; Y39-G72 WeakPolarHBondContact CE2-O 3.49Å; Y39-G72 PolarHBondContact OH-O 2.98Å
40I94.1Very high91.1Very high117 Ų11766.9 Ų66.960%0.634%0.341SS*.G310 helixtrans-60.3-23177.9-164.7167.1000113.6P38P38-I40 HydrophobicContact CB-CG2 4.03Å; P38-I40 PolarHBondContact O-N 2.96Å
41N95Very high90Very high87 Ų8766.6 Ų66.647%0.46535%0.353SS..G310 helixtrans-89.9-11.5177.7-65-17.1000112.6Y5 P38 Y39Y5-N41 WeakPolarHBondContact CE1-O 3.44Å; Y5-N41 PolarHBondContact OH-O 2.82Å; P38-N41 WeakPolarHBondContact O-CB 3.31Å; P38-N41 PolarHBondContact O-N 3.01Å; Y39-N41 PolarHBondContact O-N 2.95Å; Y39-N41 VanDerWaalsContact O-N 3.12Å
42I96.5Very high88.7Confident5 Ų569.9 Ų69.93%0.02639%0.389CS..SBendtrans-91.6122.4-179.2-52.3173.7000108.5A2 Y5 I6 I37 Y39 N44 F45 L57A2-I42 HydrophobicContact CB-CG2 3.97Å; Y5-I42 HydrophobicContact CD1-CB 4.44Å; Y5-I42 HydrophobicContact CD1-CG1 4.3Å; Y5-I42 HydrophobicContact CD1-CG2 4.31Å; Y5-I42 HydrophobicContact CE1-CG1 4.15Å; I6-I42 HydrophobicContact CD1-CD1 4.25Å; I6-I42 HydrophobicContact CD1-CG2 3.99Å; I6-I42 HydrophobicContact CG1-CD1 4.26Å; I6-I42 HydrophobicContact CG1-CG1 4.48Å; I6-I42 HydrophobicContact CG1-CG2 4.14Å; I37-I42 HydrophobicContact CB-CD1 4.35Å; I37-I42 HydrophobicContact CG2-CD1 3.86Å; I37-I42 HydrophobicContact CG2-CG1 3.56Å; Y39-I42 HydrophobicContact CD1-CD1 4.35Å; Y39-I42 PolarHBondContact O-N 2.95Å; I42-N44 PolarHBondContact O-N 3.17Å; I42-F45 HydrophobicContact CB-CB 4Å; I42-F45 HydrophobicContact CB-CD1 4.38Å; I42-F45 HydrophobicContact CB-CD2 3.78Å; I42-F45 HydrophobicContact CB-CE2 4.35Å; I42-F45 HydrophobicContact CB-CG 3.79Å; I42-F45 HydrophobicContact CD1-CD1 4Å; I42-F45 HydrophobicContact CD1-CE1 3.97Å; I42-F45 HydrophobicContact CD1-CE2 4.48Å; I42-F45 HydrophobicContact CD1-CG 4.28Å; I42-F45 HydrophobicContact CD1-CZ 4.22Å; I42-F45 HydrophobicContact CG2-CB 4.43Å; I42-F45 HydrophobicContact CG2-CD2 3.28Å; I42-F45 HydrophobicContact CG2-CE2 3.54Å; I42-F45 HydrophobicContact CG2-CG 3.85Å; I42-F45 HydrophobicContact CG2-CZ 4.3Å; I42-F45 PolarHBondContact O-N 3.08Å; I42-F45 VanDerWaalsContact O-N 3.16Å; I42-L57 HydrophobicContact CD1-CB 3.83Å; I42-L57 HydrophobicContact CD1-CD2 4.03Å
43P94.5Very high87.5Confident39 Ų3965.5 Ų65.525%0.25337%0.368SS..THydrogen-bonded Turntrans-53.5132.6178.9-27.634.9000112.4M1 A2 Y5 F45M1-P43 HydrophobicContact CG-CB 3.83Å; M1-P43 HydrophobicContact CG-CG 4.24Å; M1-P43 HydrophobicContact SD-CB 3.81Å; A2-P43 WeakPolarHBondContact CB-O 3.27Å; Y5-P43 HydrophobicContact CG-CG 4.33Å; P43-F45 PolarHBondContact O-N 2.91Å
44N92.5Very high86.8Confident115 Ų11562.5 Ų62.562%0.61536%0.361SS*.THydrogen-bonded Turntrans65.64.1179.2-49.6-32.9000116.3I42 L87I42-N44 PolarHBondContact O-N 3.17Å; N44-L87 HydrophobicContact CB-CD1 4.06Å; N44-L87 WeakPolarHBondContact O-CD2 3.39Å
45F93.5Very high86.4Confident19 Ų1957.8 Ų57.88%0.08334%0.344CS..PPolyproline II helixtrans-71.8139.2175.2-97.9-125.4000111.3A2 Y39 I42 P43 L57 L87 P88 V91A2-F45 HydrophobicContact CB-CD2 4.41Å; A2-F45 HydrophobicContact CB-CE2 4.2Å; Y39-F45 AromaticContact CD1-CD1 3.67Å; Y39-F45 HydrophobicContact CD1-CD1 3.67Å; Y39-F45 HydrophobicContact CD1-CE1 4.02Å; Y39-F45 HydrophobicContact CE1-CD1 4.23Å; Y39-F45 HydrophobicContact CE1-CE1 4.17Å; Y39-F45 AromaticContact CG-CD1 3.98Å; Y39-F45 HydrophobicContact CG-CD1 3.98Å; Y39-F45 WeakPolarHBondContact O-CB 3.28Å; I42-F45 HydrophobicContact CB-CB 4Å; I42-F45 HydrophobicContact CB-CD1 4.38Å; I42-F45 HydrophobicContact CB-CD2 3.78Å; I42-F45 HydrophobicContact CB-CE2 4.35Å; I42-F45 HydrophobicContact CB-CG 3.79Å; I42-F45 HydrophobicContact CD1-CD1 4Å; I42-F45 HydrophobicContact CD1-CE1 3.97Å; I42-F45 HydrophobicContact CD1-CE2 4.48Å; I42-F45 HydrophobicContact CD1-CG 4.28Å; I42-F45 HydrophobicContact CD1-CZ 4.22Å; I42-F45 HydrophobicContact CG2-CB 4.43Å; I42-F45 HydrophobicContact CG2-CD2 3.28Å; I42-F45 HydrophobicContact CG2-CE2 3.54Å; I42-F45 HydrophobicContact CG2-CG 3.85Å; I42-F45 HydrophobicContact CG2-CZ 4.3Å; I42-F45 PolarHBondContact O-N 3.08Å; I42-F45 VanDerWaalsContact O-N 3.16Å; P43-F45 PolarHBondContact O-N 2.91Å; F45-L57 HydrophobicContact CZ-CD2 4.42Å; F45-L87 HydrophobicContact CD2-CD2 3.45Å; F45-L87 VanDerWaalsContact CD2-CD2 3.45Å; F45-L87 HydrophobicContact CE2-CD2 3.74Å; F45-L87 HydrophobicContact CG-CD2 4.15Å; F45-P88 HydrophobicContact CE1-CB 4.06Å; F45-P88 HydrophobicContact CE1-CG 4.11Å; F45-P88 HydrophobicContact CZ-CB 4.09Å; F45-P88 HydrophobicContact CZ-CG 4.37Å; F45-V91 HydrophobicContact CE2-CB 4.21Å; F45-V91 HydrophobicContact CE2-CG1 4.11Å; F45-V91 HydrophobicContact CE2-CG2 4.02Å; F45-V91 HydrophobicContact CZ-CB 4.35Å; F45-V91 HydrophobicContact CZ-CG1 4.19Å
46P89.3Confident86.2Confident9 Ų954.3 Ų54.36%0.05833%0.33CS..PPolyproline II helixtrans-69.4150.9171.130.2-34.4000110.7L74 Y80 E84P46-L74 HydrophobicContact CB-CD1 4.35Å; P46-L74 HydrophobicContact CB-CD2 4.24Å; P46-L74 HydrophobicContact CG-CD1 3.27Å; P46-L74 HydrophobicContact CG-CD2 3.85Å; P46-L74 HydrophobicContact CG-CG 4.18Å; P46-Y80 HydrophobicContact CB-CD1 4.25Å; P46-Y80 HydrophobicContact CB-CE1 4.22Å; P46-E84 HydrophobicContact CB-CB 4.06Å; P46-E84 HydrophobicContact CB-CG 4.17Å; P46-E84 HydrophobicContact CG-CB 4.22Å
47K81.8Confident86.1Confident141 Ų14151.7 Ų51.761%0.61331%0.314SS*.PPolyproline II helixtrans-78.4151.7171.3-64.1-179.8179.9177.70109.1Y80K47-Y80 VanDerWaalsContact O-CE1 3.24Å; K47-Y80 WeakPolarHBondContact O-CE1 3.46Å; K47-Y80 PolarHBondContact O-OH 2.85Å
48T75Confident86.1Confident32 Ų3251.5 Ų51.520%0.19631%0.313CS..PPolyproline II helixtrans-88144.7167.746.90000110.2Y39 H53 G55 L74 Y80Y39-T48 HydrophobicContact CD2-CG2 3.85Å; Y39-T48 HydrophobicContact CE2-CG2 3.71Å; T48-H53 HydrophobicContact CG2-CB 4.22Å; T48-H53 PolarHBondContact OG1-O 3.32Å; T48-G55 WeakPolarHBondContact OG1-CA 3.49Å; T48-L74 HydrophobicContact CG2-CD2 3.99Å; T48-Y80 WeakPolarHBondContact CA-OH 3.39Å
49T74.4Confident86.3Confident104 Ų10449.3 Ų49.364%0.63830%0.299SS*.  trans-120.9-18.2177.572.20000114.5E78 Y80T49-E78 PolarHBondContact N-OE1 3.38Å; T49-E78 PolarHBondContact OG1-OE1 3.43Å; T49-Y80 PolarHBondContact N-OH 2.87Å
50V72.3Confident86.4Confident44 Ų4449.1 Ų49.127%0.26730%0.298SS..SBendtrans-69.3135.6177-164.20000112.2G52 H53 E78V50-G52 PolarHBondContact O-N 3.46Å; V50-H53 HydrophobicContact CB-CB 4.29Å; V50-H53 WeakPolarHBondContact O-CB 3.24Å; V50-H53 PolarHBondContact O-N 2.9Å; V50-H53 VanDerWaalsContact O-N 3.08Å; V50-E78 HydrophobicContact CG2-CG 3.78Å; V50-E78 VanDerWaalsContact CG2-OE1 3.25Å; V50-E78 WeakPolarHBondContact CG2-OE1 3.42Å; V50-E78 WeakPolarHBondContact CG2-OE2 3.4Å; V50-E78 PolarHBondContact N-OE1 3.33Å
51A68Low86.6Confident98 Ų9843.8 Ų43.881%0.8127%0.271SS*.THydrogen-bonded Turntrans-55.3135.1168.200000111.4H53A51-H53 VanDerWaalsContact C-N 3.29Å; A51-H53 PolarHBondContact O-N 3.46Å
52G68.3Low86.6Confident77 Ų7741.8 Ų41.879%0.79426%0.263SS*.THydrogen-bonded Turntrans84.7-9.8-175.800000114.9V50 V54V50-G52 PolarHBondContact O-N 3.46Å; G52-V54 PolarHBondContact O-N 3.24Å
53H71.4Confident86.5Confident23 Ų2345 Ų4511%0.10630%0.296CS..  trans-92.689.6173.5-74.3-128.9000110.1T48 V50 A51 G55 G72 R73 H75T48-H53 HydrophobicContact CG2-CB 4.22Å; T48-H53 PolarHBondContact OG1-O 3.32Å; V50-H53 HydrophobicContact CB-CB 4.29Å; V50-H53 WeakPolarHBondContact O-CB 3.24Å; V50-H53 PolarHBondContact O-N 2.9Å; V50-H53 VanDerWaalsContact O-N 3.08Å; A51-H53 VanDerWaalsContact C-N 3.29Å; A51-H53 PolarHBondContact O-N 3.46Å; H53-G55 PolarHBondContact O-N 3.21Å; H53-G72 WeakPolarHBondContact ND1-CA 3.45Å; H53-R73 PolarHBondContact CE1-N 3.18Å; H53-R73 VanDerWaalsContact CE1-N 3.29Å; H53-R73 PolarHBondContact ND1-N 2.79Å; H53-R73 PolarHBondContact ND1-O 2.92Å; H53-H75 AromaticContact CE1-CE1 3.19Å; H53-H75 PolarHBondContact CE1-CE1 2.97Å; H53-H75 AromaticContact ND1-CE1 3.94Å; H53-H75 AromaticContact NE2-CE1 3.71Å
54V80.4Confident86.6Confident96 Ų9646.2 Ų46.258%0.58232%0.316SS*.  trans-56.3-34.2-175.1-171.50000112.6G52 N56G52-V54 PolarHBondContact O-N 3.24Å; V54-N56 WeakPolarHBondContact CG1-ND2 3.34Å
55G87.6Confident86.8Confident5 Ų546.9 Ų46.95%0.05231%0.31CS..  trans82.251.617500000113Y39 T48 H53 Q71Y39-G55 WeakPolarHBondContact CB-O 3.46Å; Y39-G55 VanDerWaalsContact CD2-C 3.49Å; Y39-G55 VanDerWaalsContact CD2-CA 3.45Å; Y39-G55 VanDerWaalsContact CE2-CA 3.5Å; Y39-G55 PolarHBondContact N-O 2.85Å; T48-G55 WeakPolarHBondContact OG1-CA 3.49Å; H53-G55 PolarHBondContact O-N 3.21Å; G55-Q71 WeakPolarHBondContact CA-O 3.31Å; G55-Q71 PolarHBondContact N-O 2.93Å
56N92.4Very high87Confident19 Ų1949.5 Ų49.510%0.10232%0.322CS..EExtended strand (participates in β ladder)trans-121.7149.3175.8-59.8-50000112.6V36 P38 Y39 V54 V58 Q71V36-N56 HydrophobicContact CG1-CB 3.71Å; P38-N56 VanDerWaalsContact CA-OD1 3.26Å; P38-N56 WeakPolarHBondContact CA-OD1 3.37Å; Y39-N56 WeakPolarHBondContact CE1-O 3.13Å; Y39-N56 VanDerWaalsContact CZ-O 3.28Å; Y39-N56 PolarHBondContact OH-O 2.97Å; V54-N56 WeakPolarHBondContact CG1-ND2 3.34Å; N56-V58 HydrophobicContact CB-CG2 4.21Å; N56-Q71 HydrophobicContact CB-CB 4.16Å; N56-Q71 PolarHBondContact N-O 2.91Å; N56-Q71 PolarHBondContact ND2-OE1 2.81Å; N56-Q71 PolarHBondContact O-N 2.76Å
57L95.1Very high87.5Confident1 Ų149.3 Ų49.31%0.00532%0.32CS..EExtended strand (participates in β ladder)trans-98.7121.3162.6-158.571000107.8I6 I37 Y39 I42 F45 L59 V68 M70 M92I6-L57 HydrophobicContact CD1-CD2 3.53Å; I6-L57 HydrophobicContact CG1-CD2 4.15Å; I6-L57 HydrophobicContact CG2-CD2 4.42Å; I37-L57 PolarHBondContact N-O 3.15Å; I37-L57 PolarHBondContact O-N 2.9Å; Y39-L57 HydrophobicContact CD1-CB 4.33Å; Y39-L57 HydrophobicContact CE1-CB 3.95Å; Y39-L57 HydrophobicContact CE1-CD1 4.35Å; Y39-L57 VanDerWaalsContact CE1-N 3.25Å; I42-L57 HydrophobicContact CD1-CB 3.83Å; I42-L57 HydrophobicContact CD1-CD2 4.03Å; F45-L57 HydrophobicContact CZ-CD2 4.42Å; L57-L59 HydrophobicContact CD2-CD1 4.18Å; L57-L59 HydrophobicContact CG-CD1 4.15Å; L57-V68 HydrophobicContact CD1-CG2 3.69Å; L57-V68 HydrophobicContact CD2-CG2 3.97Å; L57-V68 HydrophobicContact CG-CG2 3.63Å; L57-M70 HydrophobicContact CD1-CG 3.96Å; L57-M92 HydrophobicContact CD1-CE 4.38Å
58V96.5Very high88.2Confident0 Ų042.6 Ų42.60%029%0.291CS..EExtended strand (participates in β ladder)trans-114.4119.9-175.6-173.40000109I28 I31 R34 K35 V36 N56 V68 A69 Q71I28-V58 HydrophobicContact CG2-CB 3.76Å; I28-V58 HydrophobicContact CG2-CG1 3.98Å; I28-V58 HydrophobicContact CG2-CG2 3.59Å; I31-V58 HydrophobicContact CD1-CB 4.32Å; I31-V58 HydrophobicContact CD1-CG1 3.86Å; R34-V58 HydrophobicContact CB-CG1 3.98Å; K35-V58 WeakPolarHBondContact O-CA 3.38Å; V36-V58 HydrophobicContact CG1-CG2 4.36Å; V36-V58 HydrophobicContact CG2-CG1 4.29Å; V36-V58 HydrophobicContact CG2-CG2 4.28Å; N56-V58 HydrophobicContact CB-CG2 4.21Å; V58-V68 CarbonylContact O-C 3.29Å; V58-V68 WeakPolarHBondContact O-CA 3.32Å; V58-A69 PolarHBondContact N-O 2.95Å; V58-A69 PolarHBondContact O-N 2.87Å; V58-Q71 HydrophobicContact CG2-CB 4.1Å
59L98.1Very high89.2Confident0 Ų041.1 Ų41.10%028%0.282CS..EExtended strand (participates in β ladder)trans-114.7143.9179.7-63.589.6000109.8I6 V12 P14 R34 K35 I37 L57 V67 V68I6-L59 HydrophobicContact CG2-CD1 4.02Å; I6-L59 HydrophobicContact CG2-CD2 3.71Å; V12-L59 HydrophobicContact CB-CB 4.14Å; V12-L59 HydrophobicContact CB-CD2 4.27Å; V12-L59 HydrophobicContact CG1-CB 4.25Å; V12-L59 HydrophobicContact CG2-CB 4.44Å; P14-L59 HydrophobicContact CG-CD2 4.46Å; R34-L59 CarbonylContact C-O 3.59Å; R34-L59 VanDerWaalsContact CA-O 3.22Å; R34-L59 WeakPolarHBondContact CA-O 3.29Å; K35-L59 PolarHBondContact N-O 3.21Å; K35-L59 PolarHBondContact O-N 3.36Å; I37-L59 HydrophobicContact CD1-CD1 3.87Å; I37-L59 HydrophobicContact CG1-CD1 4.4Å; L57-L59 HydrophobicContact CD2-CD1 4.18Å; L57-L59 HydrophobicContact CG-CD1 4.15Å; L59-V67 WeakPolarHBondContact CA-O 3.27Å; L59-V68 HydrophobicContact CD1-CG2 4.27Å; L59-V68 HydrophobicContact CD2-CB 4.37Å; L59-V68 HydrophobicContact CD2-CG2 4.32Å; L59-V68 HydrophobicContact CG-CB 4.07Å; L59-V68 HydrophobicContact CG-CG2 3.86Å
60G97.6Very high90.2Very high0 Ų036.4 Ų36.40%025%0.253CS..EExtended strand (participates in β ladder)trans172-146.9176.800000112.1E32 K66 V67E32-G60 WeakPolarHBondContact O-CA 3.38Å; G60-K66 WeakPolarHBondContact O-CA 3.38Å; G60-V67 PolarHBondContact N-O 3.25Å; G60-V67 VanDerWaalsContact N-O 3.13Å; G60-V67 PolarHBondContact O-N 3.25Å
61S97.4Very high90.9Very high5 Ų535.9 Ų35.94%0.03525%0.247CC..EExtended strand (participates in β ladder)trans-120.2142.2-179.8-450000112.1E32 R65 K66E32-S61 WeakPolarHBondContact CB-O 3.37Å; E32-S61 PolarHBondContact N-O 2.89Å; E32-S61 PolarHBondContact O-N 2.72Å; S61-R65 CarbonylContact C-O 3.56Å; S61-R65 VanDerWaalsContact CA-O 3.25Å; S61-R65 WeakPolarHBondContact CA-O 3.25Å; S61-K66 PolarHBondContact OG-NZ 2.87Å
62V96.5Very high91.6Very high46 Ų4631.8 Ų31.828%0.27922%0.215SC..EExtended strand (participates in β ladder)trans-135.7120.5168.11770000107.7I31 G64 R65 V67I31-V62 HydrophobicContact CB-CG2 4.5Å; I31-V62 HydrophobicContact CG1-CG2 3.89Å; V62-G64 PolarHBondContact O-N 3.37Å; V62-R65 PolarHBondContact N-O 2.77Å; V62-R65 WeakPolarHBondContact O-CB 3.28Å; V62-R65 PolarHBondContact O-N 3.17Å; V62-V67 HydrophobicContact CB-CG1 4.24Å; V62-V67 HydrophobicContact CG2-CG1 4.38Å; V62-V67 HydrophobicContact CG2-CG2 3.82Å
63G94.4Very high92.3Very high71 Ų7128.4 Ų28.473%0.73218%0.178SC*.THydrogen-bonded Turntrans55.938.3-178.100000113.2R65G63-R65 PolarHBondContact O-N 3.02Å
64G95.4Very high93.1Very high65 Ų6527.8 Ų27.867%0.6718%0.175SC*.THydrogen-bonded Turntrans73.41.2-175.900000115.6V62V62-G64 PolarHBondContact O-N 3.37Å
65R97.6Very high93.4Very high129 Ų12923.5 Ų23.549%0.48715%0.149SC..EExtended strand (participates in β ladder)trans-98.9137.1179.3-52.6-55.6-60.1-77-3.6110.8I16 S61 V62 G63I16-R65 HydrophobicContact CD1-CB 4.28Å; S61-R65 CarbonylContact C-O 3.56Å; S61-R65 VanDerWaalsContact CA-O 3.25Å; S61-R65 WeakPolarHBondContact CA-O 3.25Å; V62-R65 PolarHBondContact N-O 2.77Å; V62-R65 WeakPolarHBondContact O-CB 3.28Å; V62-R65 PolarHBondContact O-N 3.17Å; G63-R65 PolarHBondContact O-N 3.02Å
66K98.3Very high93.5Very high75 Ų7525.9 Ų25.933%0.32616%0.16SC..EExtended strand (participates in β ladder)trans-78.4124.3176.8-59.8-57.3-177.6-176.20110.3V12 L13 P14 D15 I16 E33 G60 S61V12-K66 HydrophobicContact CG1-CB 4.17Å; V12-K66 HydrophobicContact CG1-CD 4.3Å; L13-K66 WeakPolarHBondContact O-CB 3.47Å; P14-K66 WeakPolarHBondContact CA-O 3.46Å; D15-K66 PolarHBondContact N-O 3.38Å; I16-K66 PolarHBondContact N-O 3.35Å; E33-K66 IonicContact OE2-NZ 2.95Å; G60-K66 WeakPolarHBondContact O-CA 3.38Å; S61-K66 PolarHBondContact OG-NZ 2.87Å
67V98.2Very high93.4Very high4 Ų429 Ų292%0.02417%0.171CC..EExtended strand (participates in β ladder)trans-126.4156.7-174.3-53.40000112.2I16 I18 I31 L59 G60 V62I16-V67 HydrophobicContact CB-CG1 4.2Å; I16-V67 CarbonylContact O-C 3.48Å; I16-V67 VanDerWaalsContact O-CA 3.28Å; I16-V67 WeakPolarHBondContact O-CA 3.4Å; I18-V67 HydrophobicContact CD1-CB 4.26Å; I18-V67 HydrophobicContact CD1-CG1 4.31Å; I31-V67 HydrophobicContact CD1-CG2 4.11Å; I31-V67 HydrophobicContact CG1-CG2 4.38Å; I31-V67 HydrophobicContact CG2-CG2 4.32Å; L59-V67 WeakPolarHBondContact CA-O 3.27Å; G60-V67 PolarHBondContact N-O 3.25Å; G60-V67 VanDerWaalsContact N-O 3.13Å; G60-V67 PolarHBondContact O-N 3.25Å; V62-V67 HydrophobicContact CB-CG1 4.24Å; V62-V67 HydrophobicContact CG2-CG1 4.38Å; V62-V67 HydrophobicContact CG2-CG2 3.82Å
68V98.1Very high93.2Very high0 Ų031 Ų310%018%0.18CC..EExtended strand (participates in β ladder)trans-128.4128.9165.156.90000109.8P14 I16 G17 I18 L57 V58 L59 M92 V97P14-V68 HydrophobicContact CB-CB 3.91Å; P14-V68 HydrophobicContact CB-CG1 3.79Å; P14-V68 HydrophobicContact CG-CB 3.83Å; P14-V68 HydrophobicContact CG-CG1 3.61Å; I16-V68 PolarHBondContact O-N 3.22Å; G17-V68 CarbonylContact C-O 3.47Å; G17-V68 VanDerWaalsContact CA-O 3.29Å; G17-V68 WeakPolarHBondContact CA-O 3.4Å; I18-V68 PolarHBondContact N-O 3.31Å; L57-V68 HydrophobicContact CD1-CG2 3.69Å; L57-V68 HydrophobicContact CD2-CG2 3.97Å; L57-V68 HydrophobicContact CG-CG2 3.63Å; V58-V68 CarbonylContact O-C 3.29Å; V58-V68 WeakPolarHBondContact O-CA 3.32Å; L59-V68 HydrophobicContact CD1-CG2 4.27Å; L59-V68 HydrophobicContact CD2-CB 4.37Å; L59-V68 HydrophobicContact CD2-CG2 4.32Å; L59-V68 HydrophobicContact CG-CB 4.07Å; L59-V68 HydrophobicContact CG-CG2 3.86Å; V68-M92 HydrophobicContact CG1-CE 4.27Å; V68-M92 HydrophobicContact CG1-CG 3.89Å; V68-M92 HydrophobicContact CG1-SD 4.28Å; V68-M92 HydrophobicContact CG2-CE 4.38Å; V68-V97 HydrophobicContact CG1-CG2 3.56Å
69A96.2Very high93Very high1 Ų134.1 Ų34.11%0.00821%0.212CC..EExtended strand (participates in β ladder)trans-120.3139.5-177.500000112I18 I28 I31 V58I18-A69 HydrophobicContact CB-CB 4.2Å; I18-A69 VanDerWaalsContact O-CA 3.27Å; I18-A69 WeakPolarHBondContact O-CA 3.21Å; I28-A69 HydrophobicContact CD1-CB 4.01Å; I28-A69 HydrophobicContact CG1-CB 3.9Å; I28-A69 HydrophobicContact CG2-CB 4.36Å; I31-A69 HydrophobicContact CD1-CB 3.93Å; V58-A69 PolarHBondContact N-O 2.95Å; V58-A69 PolarHBondContact O-N 2.87Å
70M93.7Very high92.7Very high6 Ų635.1 Ų35.13%0.0322%0.216CC..EExtended strand (participates in β ladder)trans-88.9105.6168.3-70.4-176.275.500110I18 I19 Y39 L57 G72 L74 P88 M92I18-M70 PolarHBondContact O-N 3.16Å; I19-M70 HydrophobicContact CD1-SD 4.07Å; I19-M70 HydrophobicContact CG1-CB 4.37Å; I19-M70 HydrophobicContact CG1-CG 4.41Å; I19-M70 HydrophobicContact CG1-SD 4.16Å; Y39-M70 WeakPolarHBondContact OH-CA 3.36Å; Y39-M70 WeakPolarHBondContact OH-CB 3.4Å; L57-M70 HydrophobicContact CD1-CG 3.96Å; M70-G72 PolarHBondContact O-N 3.24Å; M70-L74 HydrophobicContact CE-CD1 4.4Å; M70-L74 HydrophobicContact CE-CG 4.49Å; M70-P88 HydrophobicContact CE-CB 3.67Å; M70-P88 HydrophobicContact CE-CG 3.89Å; M70-P88 HydrophobicContact SD-CB 3.8Å; M70-M92 HydrophobicContact CG-CE 3.52Å; M70-M92 HydrophobicContact SD-CE 3.94Å
71Q88.5Confident92.5Very high32 Ų3237.7 Ų37.715%0.1523%0.234CC..EExtended strand (participates in β ladder)trans-87.184.5172.9-164.6-175.140.900109.6I28 G55 N56 V58I28-Q71 HydrophobicContact CD1-CB 3.93Å; I28-Q71 HydrophobicContact CD1-CG 4.14Å; I28-Q71 HydrophobicContact CG2-CB 4.17Å; I28-Q71 HydrophobicContact CG2-CG 4.25Å; G55-Q71 WeakPolarHBondContact CA-O 3.31Å; G55-Q71 PolarHBondContact N-O 2.93Å; N56-Q71 HydrophobicContact CB-CB 4.16Å; N56-Q71 PolarHBondContact N-O 2.91Å; N56-Q71 PolarHBondContact ND2-OE1 2.81Å; N56-Q71 PolarHBondContact O-N 2.76Å; V58-Q71 HydrophobicContact CG2-CB 4.1Å
72G81.8Confident92.3Very high13 Ų1338.9 Ų38.913%0.13424%0.24CC..SBendtrans111.3109.2-171.400000110.4Y39 H53 M70Y39-G72 WeakPolarHBondContact CE2-O 3.49Å; Y39-G72 PolarHBondContact OH-O 2.98Å; H53-G72 WeakPolarHBondContact ND1-CA 3.45Å; M70-G72 PolarHBondContact O-N 3.24Å
73R83.8Confident92.1Very high6 Ų640.7 Ų40.72%0.02325%0.245CC..  trans-78.6164.3176-46.9161-170.3-117.2-68.3111.7I19 C20 G21 H53 T103 F209I19-R73 HydrophobicContact CG2-CG 3.87Å; I19-R73 PolarHBondContact O-NH2 3.05Å; C20-R73 PolarHBondContact O-NE 3.44Å; C20-R73 PolarHBondContact O-NH2 3.35Å; G21-R73 VanDerWaalsContact CA-NH2 3.27Å; G21-R73 VanDerWaalsContact N-CZ 3.33Å; H53-R73 PolarHBondContact CE1-N 3.18Å; H53-R73 VanDerWaalsContact CE1-N 3.29Å; H53-R73 PolarHBondContact ND1-N 2.79Å; H53-R73 PolarHBondContact ND1-O 2.92Å; R73-T103 PolarHBondContact NH1-O 3.37Å; R73-T103 PolarHBondContact NH2-O 3.43Å; R73-F209 HydrophobicContact CB-CE2 4.12Å; R73-F209 HydrophobicContact CB-CZ 4.16Å; R73-F209 HydrophobicContact CG-CE1 4.42Å; R73-F209 HydrophobicContact CG-CE2 4.49Å; R73-F209 HydrophobicContact CG-CZ 4.09Å
74L86.6Confident92.1Very high9 Ų940.8 Ų40.85%0.04723%0.227CC..  trans-105126.7167.1-52.2166.3000107.9P46 T48 M70 Y80 I85 P88P46-L74 HydrophobicContact CB-CD1 4.35Å; P46-L74 HydrophobicContact CB-CD2 4.24Å; P46-L74 HydrophobicContact CG-CD1 3.27Å; P46-L74 HydrophobicContact CG-CD2 3.85Å; P46-L74 HydrophobicContact CG-CG 4.18Å; T48-L74 HydrophobicContact CG2-CD2 3.99Å; M70-L74 HydrophobicContact CE-CD1 4.4Å; M70-L74 HydrophobicContact CE-CG 4.49Å; L74-Y80 HydrophobicContact CB-CD2 3.77Å; L74-Y80 HydrophobicContact CB-CE2 3.87Å; L74-Y80 HydrophobicContact CD2-CD2 4.37Å; L74-Y80 HydrophobicContact CD2-CE1 4.34Å; L74-Y80 HydrophobicContact CD2-CE2 3.85Å; L74-Y80 HydrophobicContact CG-CE2 4.49Å; L74-I85 HydrophobicContact CB-CD1 3.63Å; L74-P88 HydrophobicContact CD1-CG 3.85Å
75H87.4Confident92Very high6 Ų638.3 Ų38.33%0.02820%0.198CC..  trans-112.4139.2177.9-52.296.7000111.5H53 Y77 E78 Y80 F209H53-H75 AromaticContact CE1-CE1 3.19Å; H53-H75 PolarHBondContact CE1-CE1 2.97Å; H53-H75 AromaticContact ND1-CE1 3.94Å; H53-H75 AromaticContact NE2-CE1 3.71Å; H75-Y77 HydrophobicContact CB-CD1 3.68Å; H75-Y77 HydrophobicContact CB-CD2 4.17Å; H75-Y77 HydrophobicContact CB-CE1 3.3Å; H75-Y77 HydrophobicContact CB-CE2 3.82Å; H75-Y77 HydrophobicContact CB-CG 4.09Å; H75-Y77 AromaticContact CD2-CE1 3.7Å; H75-Y77 AromaticContact CD2-CZ 3.88Å; H75-Y77 PolarHBondContact CE1-OH 3.06Å; H75-Y77 VanDerWaalsContact CE1-OH 3.26Å; H75-Y77 AromaticContact CG-CE1 3.54Å; H75-Y77 AromaticContact CG-CZ 3.42Å; H75-Y77 VanDerWaalsContact CG-CZ 3.42Å; H75-Y77 VanDerWaalsContact CG-OH 3.27Å; H75-Y77 AromaticContact ND1-CZ 3.68Å; H75-Y77 PolarHBondContact ND1-OH 2.93Å; H75-Y77 VanDerWaalsContact ND1-OH 3.14Å; H75-Y77 PolarHBondContact O-N 3.15Å; H75-E78 HydrophobicContact CB-CG 4.37Å; H75-E78 IonicContact CG-OE2 3.82Å; H75-E78 PolarHBondContact N-OE2 3.46Å; H75-E78 VanDerWaalsContact N-OE2 3.1Å; H75-E78 IonicContact ND1-OE2 3.22Å; H75-E78 PolarHBondContact ND1-OE2 3.23Å; H75-E78 VanDerWaalsContact O-CB 3.3Å; H75-E78 WeakPolarHBondContact O-CB 3.4Å; H75-E78 PolarHBondContact O-N 3.24Å; H75-Y80 VanDerWaalsContact O-CD2 3.27Å; H75-Y80 WeakPolarHBondContact O-CD2 3.3Å; H75-F209 AromaticContact CD2-CD2 3.54Å; H75-F209 AromaticContact CD2-CG 3.98Å
76M91Very high91.8Very high56 Ų5632.9 Ų32.928%0.27618%0.181SC..G310 helixtrans-66.3-25-179-72.2-169.37200114.1E78 G79 I85 K211M76-E78 PolarHBondContact O-N 3.36Å; M76-G79 PolarHBondContact O-N 3.19Å; M76-I85 HydrophobicContact CG-CD1 4.04Å; M76-I85 HydrophobicContact CG-CG1 3.75Å; M76-I85 HydrophobicContact SD-CG1 4.46Å; M76-K211 HydrophobicContact SD-CD 3.79Å; M76-K211 WeakPolarHBondContact SD-CE 3.45Å; M76-K211 PolarHBondContact SD-NZ 3.14Å
77Y90.4Very high91.6Very high85 Ų8531.4 Ų31.433%0.33318%0.176SC..G310 helixtrans-65.8-14172.562.9-111.4000113H75 G79 P187 N208H75-Y77 HydrophobicContact CB-CD1 3.68Å; H75-Y77 HydrophobicContact CB-CD2 4.17Å; H75-Y77 HydrophobicContact CB-CE1 3.3Å; H75-Y77 HydrophobicContact CB-CE2 3.82Å; H75-Y77 HydrophobicContact CB-CG 4.09Å; H75-Y77 AromaticContact CD2-CE1 3.7Å; H75-Y77 AromaticContact CD2-CZ 3.88Å; H75-Y77 PolarHBondContact CE1-OH 3.06Å; H75-Y77 VanDerWaalsContact CE1-OH 3.26Å; H75-Y77 AromaticContact CG-CE1 3.54Å; H75-Y77 AromaticContact CG-CZ 3.42Å; H75-Y77 VanDerWaalsContact CG-CZ 3.42Å; H75-Y77 VanDerWaalsContact CG-OH 3.27Å; H75-Y77 AromaticContact ND1-CZ 3.68Å; H75-Y77 PolarHBondContact ND1-OH 2.93Å; H75-Y77 VanDerWaalsContact ND1-OH 3.14Å; H75-Y77 PolarHBondContact O-N 3.15Å; Y77-G79 PolarHBondContact O-N 3.39Å; Y77-P187 HydrophobicContact CD2-CB 4.27Å; Y77-P187 HydrophobicContact CG-CB 4.22Å; Y77-N208 HydrophobicContact CD1-CB 4.24Å; Y77-N208 HydrophobicContact CE1-CB 4.24Å
78E89.5Confident91.5Very high43 Ų4331.3 Ų31.320%0.20118%0.176CC..G310 helixtrans-78.5-4.9170.3-64.51767500112.4T49 V50 H75 M76 Y80T49-E78 PolarHBondContact N-OE1 3.38Å; T49-E78 PolarHBondContact OG1-OE1 3.43Å; V50-E78 HydrophobicContact CG2-CG 3.78Å; V50-E78 VanDerWaalsContact CG2-OE1 3.25Å; V50-E78 WeakPolarHBondContact CG2-OE1 3.42Å; V50-E78 WeakPolarHBondContact CG2-OE2 3.4Å; V50-E78 PolarHBondContact N-OE1 3.33Å; H75-E78 HydrophobicContact CB-CG 4.37Å; H75-E78 IonicContact CG-OE2 3.82Å; H75-E78 PolarHBondContact N-OE2 3.46Å; H75-E78 VanDerWaalsContact N-OE2 3.1Å; H75-E78 IonicContact ND1-OE2 3.22Å; H75-E78 PolarHBondContact ND1-OE2 3.23Å; H75-E78 VanDerWaalsContact O-CB 3.3Å; H75-E78 WeakPolarHBondContact O-CB 3.4Å; H75-E78 PolarHBondContact O-N 3.24Å; M76-E78 PolarHBondContact O-N 3.36Å; E78-Y80 HydrophobicContact CB-CD2 3.97Å; E78-Y80 HydrophobicContact CB-CE2 3.64Å; E78-Y80 VanDerWaalsContact CD-CE2 3.43Å; E78-Y80 HydrophobicContact CG-CE2 4.13Å; E78-Y80 PolarHBondContact OE1-OH 2.91Å; E78-Y80 WeakPolarHBondContact OE2-CE2 3.39Å
79G91.7Very high91.4Very high65 Ų6532.7 Ų32.767%0.6718%0.183SC*.THydrogen-bonded Turntrans90.17.2-179.900000114.9M76 Y77 S81M76-G79 PolarHBondContact O-N 3.19Å; Y77-G79 PolarHBondContact O-N 3.39Å; G79-S81 PolarHBondContact O-N 3.29Å
80Y92.6Very high91.4Very high21 Ų2134.9 Ų34.98%0.08219%0.191CC..  trans-60.7135.5173.9-61.5-61.3000111.2P46 K47 T48 T49 L74 H75 E78 E84 I85P46-Y80 HydrophobicContact CB-CD1 4.25Å; P46-Y80 HydrophobicContact CB-CE1 4.22Å; K47-Y80 VanDerWaalsContact O-CE1 3.24Å; K47-Y80 WeakPolarHBondContact O-CE1 3.46Å; K47-Y80 PolarHBondContact O-OH 2.85Å; T48-Y80 WeakPolarHBondContact CA-OH 3.39Å; T49-Y80 PolarHBondContact N-OH 2.87Å; L74-Y80 HydrophobicContact CB-CD2 3.77Å; L74-Y80 HydrophobicContact CB-CE2 3.87Å; L74-Y80 HydrophobicContact CD2-CD2 4.37Å; L74-Y80 HydrophobicContact CD2-CE1 4.34Å; L74-Y80 HydrophobicContact CD2-CE2 3.85Å; L74-Y80 HydrophobicContact CG-CE2 4.49Å; H75-Y80 VanDerWaalsContact O-CD2 3.27Å; H75-Y80 WeakPolarHBondContact O-CD2 3.3Å; E78-Y80 HydrophobicContact CB-CD2 3.97Å; E78-Y80 HydrophobicContact CB-CE2 3.64Å; E78-Y80 VanDerWaalsContact CD-CE2 3.43Å; E78-Y80 HydrophobicContact CG-CE2 4.13Å; E78-Y80 PolarHBondContact OE1-OH 2.91Å; E78-Y80 WeakPolarHBondContact OE2-CE2 3.39Å; Y80-E84 HydrophobicContact CD1-CB 4.37Å; Y80-I85 HydrophobicContact CD2-CD1 4.15Å; Y80-I85 HydrophobicContact CG-CD1 4.35Å
81S93.1Very high91.6Very high54 Ų5435.1 Ų35.138%0.37819%0.192SC..  trans-68.2163.2173.867.50000112.2G79 Q83 E84 I85G79-S81 PolarHBondContact O-N 3.29Å; S81-Q83 PolarHBondContact O-N 3.19Å; S81-E84 WeakPolarHBondContact CB-OE2 3.45Å; S81-E84 PolarHBondContact N-OE2 2.59Å; S81-E84 PolarHBondContact O-N 3.22Å; S81-E84 WeakPolarHBondContact OG-CG 3.4Å; S81-E84 PolarHBondContact OG-N 3.1Å; S81-E84 PolarHBondContact OG-OE2 3.43Å; S81-I85 WeakPolarHBondContact O-CG1 3.11Å; S81-I85 PolarHBondContact O-N 3.4Å; S81-I85 VanDerWaalsContact O-N 3.11Å
82N93.2Very high92Very high29 Ų2933.8 Ų33.816%0.15519%0.186CC..Hα-helixtrans-52.1-38.3173-76.3-5.4000113.1A86 N134 V135 V137N82-A86 VanDerWaalsContact O-CB 3.3Å; N82-A86 WeakPolarHBondContact O-CB 3.37Å; N82-A86 PolarHBondContact O-N 3.49Å; N82-N134 PolarHBondContact ND2-O 2.81Å; N82-V135 VanDerWaalsContact CB-O 3.3Å; N82-V135 WeakPolarHBondContact CB-O 3.48Å; N82-V135 VanDerWaalsContact CG-O 3.32Å; N82-V135 PolarHBondContact ND2-O 3.13Å; N82-V137 PolarHBondContact ND2-O 3.48Å
83Q93.1Very high92.8Very high85 Ų8539.7 Ų39.740%0.39721%0.208SC..Hα-helixtrans-72-39.4-178.5-60.9-58.4-26.300112S81 I85 A86 L87S81-Q83 PolarHBondContact O-N 3.19Å; Q83-I85 VanDerWaalsContact C-N 3.35Å; Q83-A86 PolarHBondContact O-N 3.12Å; Q83-L87 VanDerWaalsContact O-CB 3.31Å; Q83-L87 WeakPolarHBondContact O-CB 3.49Å; Q83-L87 PolarHBondContact O-N 2.91Å
84E93.5Very high93.4Very high73 Ų7343.9 Ų43.934%0.34123%0.23SC..Hα-helixtrans-64.1-40.6176.2-72166.4114.900111.5P46 Y80 S81 P88P46-E84 HydrophobicContact CB-CB 4.06Å; P46-E84 HydrophobicContact CB-CG 4.17Å; P46-E84 HydrophobicContact CG-CB 4.22Å; Y80-E84 HydrophobicContact CD1-CB 4.37Å; S81-E84 WeakPolarHBondContact CB-OE2 3.45Å; S81-E84 PolarHBondContact N-OE2 2.59Å; S81-E84 PolarHBondContact O-N 3.22Å; S81-E84 WeakPolarHBondContact OG-CG 3.4Å; S81-E84 PolarHBondContact OG-N 3.1Å; S81-E84 PolarHBondContact OG-OE2 3.43Å; E84-P88 WeakPolarHBondContact O-CD 3.3Å
85I93.3Very high94Very high12 Ų1243.6 Ų43.66%0.06223%0.229CC..Hα-helixtrans-67.4-41.7175.8-62.5-60.7000111.9L74 M76 Y80 S81 Q83 V135L74-I85 HydrophobicContact CB-CD1 3.63Å; M76-I85 HydrophobicContact CG-CD1 4.04Å; M76-I85 HydrophobicContact CG-CG1 3.75Å; M76-I85 HydrophobicContact SD-CG1 4.46Å; Y80-I85 HydrophobicContact CD2-CD1 4.15Å; Y80-I85 HydrophobicContact CG-CD1 4.35Å; S81-I85 WeakPolarHBondContact O-CG1 3.11Å; S81-I85 PolarHBondContact O-N 3.4Å; S81-I85 VanDerWaalsContact O-N 3.11Å; Q83-I85 VanDerWaalsContact C-N 3.35Å; I85-V135 HydrophobicContact CB-CG2 4.26Å; I85-V135 HydrophobicContact CG2-CG2 3.97Å
86A94.3Very high94.5Very high16 Ų1644.9 Ų44.913%0.13224%0.244CC..Hα-helixtrans-74.5-30-175.700000113.4N82 Q83 I89 R90N82-A86 VanDerWaalsContact O-CB 3.3Å; N82-A86 WeakPolarHBondContact O-CB 3.37Å; N82-A86 PolarHBondContact O-N 3.49Å; Q83-A86 PolarHBondContact O-N 3.12Å; A86-I89 PolarHBondContact O-N 2.82Å; A86-R90 WeakPolarHBondContact O-CG 3.25Å; A86-R90 PolarHBondContact O-N 2.95Å
87L94.6Very high94.8Very high44 Ų4442.9 Ų42.923%0.2323%0.234CC..Hα-helixtrans-59.7-48.6-170.3179128.3000113.9N44 F45 Q83 I89 R90 V91N44-L87 HydrophobicContact CB-CD1 4.06Å; N44-L87 WeakPolarHBondContact O-CD2 3.39Å; F45-L87 HydrophobicContact CD2-CD2 3.45Å; F45-L87 VanDerWaalsContact CD2-CD2 3.45Å; F45-L87 HydrophobicContact CE2-CD2 3.74Å; F45-L87 HydrophobicContact CG-CD2 4.15Å; Q83-L87 VanDerWaalsContact O-CB 3.31Å; Q83-L87 WeakPolarHBondContact O-CB 3.49Å; Q83-L87 PolarHBondContact O-N 2.91Å; L87-I89 PolarHBondContact O-N 2.85Å; L87-R90 PolarHBondContact O-N 3.02Å; L87-V91 HydrophobicContact CG-CG2 4.43Å; L87-V91 WeakPolarHBondContact O-CB 3.47Å; L87-V91 VanDerWaalsContact O-CG2 3.3Å; L87-V91 WeakPolarHBondContact O-CG2 3.32Å; L87-V91 PolarHBondContact O-N 3.19Å
88P95.2Very high95.2Very high2 Ų249.5 Ų49.51%0.01326%0.259CS..Hα-helixtrans-57.9-35.9178.7-27.135.6000113.7F45 M70 L74 E84 V91 M92F45-P88 HydrophobicContact CE1-CB 4.06Å; F45-P88 HydrophobicContact CE1-CG 4.11Å; F45-P88 HydrophobicContact CZ-CB 4.09Å; F45-P88 HydrophobicContact CZ-CG 4.37Å; M70-P88 HydrophobicContact CE-CB 3.67Å; M70-P88 HydrophobicContact CE-CG 3.89Å; M70-P88 HydrophobicContact SD-CB 3.8Å; L74-P88 HydrophobicContact CD1-CG 3.85Å; E84-P88 WeakPolarHBondContact O-CD 3.3Å; P88-V91 WeakPolarHBondContact O-CB 3.48Å; P88-V91 PolarHBondContact O-N 3.11Å; P88-M92 WeakPolarHBondContact O-CG 3.39Å; P88-M92 PolarHBondContact O-N 3.26Å
89I96.2Very high95.6Very high29 Ų2949.7 Ų49.715%0.14926%0.263CS..Hα-helixtrans-75.1-43.7-177.3-50.8-70000110.5I19 A86 L87 V91 M92 K93 L100 Y213I19-I89 HydrophobicContact CD1-CD1 3.56Å; A86-I89 PolarHBondContact O-N 2.82Å; L87-I89 PolarHBondContact O-N 2.85Å; I89-V91 PolarHBondContact O-N 3.01Å; I89-M92 WeakPolarHBondContact O-CB 3.3Å; I89-M92 PolarHBondContact O-N 2.72Å; I89-M92 VanDerWaalsContact O-N 3.16Å; I89-K93 PolarHBondContact O-N 3.29Å; I89-L100 HydrophobicContact CD1-CD2 4.2Å; I89-Y213 HydrophobicContact CB-CD1 4.23Å; I89-Y213 HydrophobicContact CD1-CD1 3.44Å; I89-Y213 VanDerWaalsContact CD1-CD1 3.44Å; I89-Y213 HydrophobicContact CD1-CD2 4.32Å; I89-Y213 HydrophobicContact CD1-CE1 3.35Å; I89-Y213 HydrophobicContact CD1-CE2 4.28Å; I89-Y213 HydrophobicContact CD1-CG 3.88Å; I89-Y213 HydrophobicContact CG1-CD1 3.3Å; I89-Y213 HydrophobicContact CG1-CE1 3.38Å; I89-Y213 HydrophobicContact CG1-CG 4.12Å; I89-Y213 HydrophobicContact CG2-CD1 4.17Å; I89-Y213 HydrophobicContact CG2-CG 4.38Å
90R97Very high95.9Very high47 Ų4748.9 Ų48.918%0.17724%0.243CC..Hα-helixtrans-58.8-38.1170.3-74.3178.9177.4158.81.3111.2A86 L87 K93 L94 F144A86-R90 WeakPolarHBondContact O-CG 3.25Å; A86-R90 PolarHBondContact O-N 2.95Å; L87-R90 PolarHBondContact O-N 3.02Å; R90-K93 WeakPolarHBondContact O-CB 3.27Å; R90-K93 PolarHBondContact O-N 3.38Å; R90-L94 WeakPolarHBondContact O-CG 3.35Å; R90-L94 PolarHBondContact O-N 2.85Å; R90-F144 HydrophobicContact CB-CD1 4.05Å; R90-F144 HydrophobicContact CB-CE1 3.47Å; R90-F144 VanDerWaalsContact CB-CE1 3.47Å; R90-F144 HydrophobicContact CB-CE2 4.34Å; R90-F144 HydrophobicContact CB-CZ 3.65Å; R90-F144 HydrophobicContact CG-CD1 3.7Å; R90-F144 HydrophobicContact CG-CD2 4.19Å; R90-F144 HydrophobicContact CG-CE1 3.65Å; R90-F144 HydrophobicContact CG-CE2 4.14Å; R90-F144 HydrophobicContact CG-CG 3.98Å; R90-F144 HydrophobicContact CG-CZ 3.87Å
91V97Very high96.1Very high10 Ų1051.8 Ų51.86%0.06126%0.259CS..Hα-helixtrans-67-42.8174.4168.60000111.6A2 A3 I6 F45 L87 P88 I89 K93 L94 L95A2-V91 HydrophobicContact CB-CG2 3.79Å; A3-V91 HydrophobicContact CB-CG1 4.4Å; I6-V91 HydrophobicContact CD1-CG1 3.48Å; I6-V91 VanDerWaalsContact CD1-CG1 3.48Å; F45-V91 HydrophobicContact CE2-CB 4.21Å; F45-V91 HydrophobicContact CE2-CG1 4.11Å; F45-V91 HydrophobicContact CE2-CG2 4.02Å; F45-V91 HydrophobicContact CZ-CB 4.35Å; F45-V91 HydrophobicContact CZ-CG1 4.19Å; L87-V91 HydrophobicContact CG-CG2 4.43Å; L87-V91 WeakPolarHBondContact O-CB 3.47Å; L87-V91 VanDerWaalsContact O-CG2 3.3Å; L87-V91 WeakPolarHBondContact O-CG2 3.32Å; L87-V91 PolarHBondContact O-N 3.19Å; P88-V91 WeakPolarHBondContact O-CB 3.48Å; P88-V91 PolarHBondContact O-N 3.11Å; I89-V91 PolarHBondContact O-N 3.01Å; V91-K93 VanDerWaalsContact C-N 3.3Å; V91-K93 PolarHBondContact O-N 3.2Å; V91-L94 PolarHBondContact O-N 3.14Å; V91-L94 VanDerWaalsContact O-N 3.14Å; V91-L95 HydrophobicContact CG1-CD1 4.12Å; V91-L95 HydrophobicContact CG1-CG 4.43Å; V91-L95 VanDerWaalsContact O-CG 3.31Å; V91-L95 WeakPolarHBondContact O-CG 3.33Å; V91-L95 PolarHBondContact O-N 3.49Å
92M97.9Very high96.2Very high4 Ų451.9 Ų51.92%0.0226%0.255CS..Hα-helixtrans-56-44.2171.6-74.3-177.3-179.500111.7L57 V68 M70 P88 I89 L94 L95 G96 V97 L100L57-M92 HydrophobicContact CD1-CE 4.38Å; V68-M92 HydrophobicContact CG1-CE 4.27Å; V68-M92 HydrophobicContact CG1-CG 3.89Å; V68-M92 HydrophobicContact CG1-SD 4.28Å; V68-M92 HydrophobicContact CG2-CE 4.38Å; M70-M92 HydrophobicContact CG-CE 3.52Å; M70-M92 HydrophobicContact SD-CE 3.94Å; P88-M92 WeakPolarHBondContact O-CG 3.39Å; P88-M92 PolarHBondContact O-N 3.26Å; I89-M92 WeakPolarHBondContact O-CB 3.3Å; I89-M92 PolarHBondContact O-N 2.72Å; I89-M92 VanDerWaalsContact O-N 3.16Å; M92-L94 PolarHBondContact O-N 3.34Å; M92-L95 WeakPolarHBondContact O-CB 3.35Å; M92-L95 PolarHBondContact O-N 2.98Å; M92-L95 VanDerWaalsContact O-N 3.15Å; M92-G96 PolarHBondContact O-N 2.96Å; M92-V97 HydrophobicContact CB-CB 4.05Å; M92-V97 HydrophobicContact CB-CG2 3.85Å; M92-V97 HydrophobicContact CG-CG2 4.39Å; M92-V97 WeakPolarHBondContact O-CB 3.45Å; M92-V97 WeakPolarHBondContact O-CG2 3.48Å; M92-V97 PolarHBondContact O-N 3.09Å; M92-L100 HydrophobicContact SD-CD1 3.98Å
93K97.7Very high96.2Very high138 Ų13853.4 Ų53.460%0.627%0.266SS*.Hα-helixtrans-57-46.7174.2177.567.5174.2-1560112I89 R90 V91 L95 G96I89-K93 PolarHBondContact O-N 3.29Å; R90-K93 WeakPolarHBondContact O-CB 3.27Å; R90-K93 PolarHBondContact O-N 3.38Å; V91-K93 VanDerWaalsContact C-N 3.3Å; V91-K93 PolarHBondContact O-N 3.2Å; K93-L95 VanDerWaalsContact C-N 3.26Å; K93-L95 PolarHBondContact O-N 3.2Å; K93-G96 PolarHBondContact O-N 3.26Å; K93-G96 VanDerWaalsContact O-N 3.15Å
94L97.3Very high96.1Very high93 Ų9351 Ų5149%0.48726%0.256SS..Hα-helixtrans-69.8-19.1178.7-66.5177.4000114.2A3 K7 R90 V91 M92 F144A3-L94 HydrophobicContact CB-CB 3.83Å; A3-L94 HydrophobicContact CB-CD1 4.41Å; K7-L94 WeakPolarHBondContact CE-O 3.27Å; K7-L94 PolarHBondContact NZ-O 2.94Å; R90-L94 WeakPolarHBondContact O-CG 3.35Å; R90-L94 PolarHBondContact O-N 2.85Å; V91-L94 PolarHBondContact O-N 3.14Å; V91-L94 VanDerWaalsContact O-N 3.14Å; M92-L94 PolarHBondContact O-N 3.34Å; L94-F144 HydrophobicContact CD1-CE1 4.49Å; L94-F144 HydrophobicContact CD1-CZ 4.24Å; L94-F144 HydrophobicContact CD2-CE1 4.39Å; L94-F144 HydrophobicContact CG-CE1 4.2Å; L94-F144 HydrophobicContact CG-CZ 4.43Å
95L97.9Very high96Very high4 Ų453.2 Ų53.22%0.02127%0.269CS..Hα-helixtrans-81.1-18.5172.6-71.5172000112.9A3 I6 K7 P14 V91 M92 K93A3-L95 HydrophobicContact CB-CD2 4.35Å; I6-L95 HydrophobicContact CB-CD1 4.48Å; I6-L95 HydrophobicContact CB-CD2 4.12Å; I6-L95 HydrophobicContact CD1-CD1 4.18Å; I6-L95 HydrophobicContact CG2-CD1 3.87Å; I6-L95 HydrophobicContact CG2-CD2 3.86Å; K7-L95 HydrophobicContact CD-CD2 4.45Å; K7-L95 HydrophobicContact CG-CD2 3.71Å; P14-L95 HydrophobicContact CG-CB 3.95Å; V91-L95 HydrophobicContact CG1-CD1 4.12Å; V91-L95 HydrophobicContact CG1-CG 4.43Å; V91-L95 VanDerWaalsContact O-CG 3.31Å; V91-L95 WeakPolarHBondContact O-CG 3.33Å; V91-L95 PolarHBondContact O-N 3.49Å; M92-L95 WeakPolarHBondContact O-CB 3.35Å; M92-L95 PolarHBondContact O-N 2.98Å; M92-L95 VanDerWaalsContact O-N 3.15Å; K93-L95 VanDerWaalsContact C-N 3.26Å; K93-L95 PolarHBondContact O-N 3.2Å
96G97.8Very high96Very high32 Ų3255 Ų5533%0.3329%0.285SS..THydrogen-bonded Turntrans119.60.217800000115P14 M92 K93 R98P14-G96 CarbonylContact O-C 3.54Å; M92-G96 PolarHBondContact O-N 2.96Å; K93-G96 PolarHBondContact O-N 3.26Å; K93-G96 VanDerWaalsContact O-N 3.15Å; G96-R98 WeakPolarHBondContact O-CG 3.3Å; G96-R98 PolarHBondContact O-N 3.25Å
97V98.6Very high96.1Very high14 Ų1455.4 Ų55.49%0.08529%0.291CS..  trans-60.8130.5-176.5174.20000111.3P14 G17 V68 M92 V99P14-V97 HydrophobicContact CB-CG2 4.26Å; P14-V97 HydrophobicContact CG-CG2 4Å; P14-V97 PolarHBondContact O-N 3.12Å; G17-V97 VanDerWaalsContact N-CG1 3.29Å; V68-V97 HydrophobicContact CG1-CG2 3.56Å; M92-V97 HydrophobicContact CB-CB 4.05Å; M92-V97 HydrophobicContact CB-CG2 3.85Å; M92-V97 HydrophobicContact CG-CG2 4.39Å; M92-V97 WeakPolarHBondContact O-CB 3.45Å; M92-V97 WeakPolarHBondContact O-CG2 3.48Å; M92-V97 PolarHBondContact O-N 3.09Å; V97-V99 VanDerWaalsContact CG1-O 3.27Å; V97-V99 WeakPolarHBondContact CG1-O 3.49Å
98R98.1Very high96.3Very high224 Ų22455.9 Ų55.985%0.84531%0.307SS*.  trans-115.3-22.3177.8-58.1-170.5179.1-147.6-0.7113.4D15 G96D15-R98 PolarHBondContact O-N 2.88Å; G96-R98 WeakPolarHBondContact O-CG 3.3Å; G96-R98 PolarHBondContact O-N 3.25Å
99V98.4Very high96.4Very high47 Ų4756.6 Ų56.629%0.28531%0.31SS..EExtended strand (participates in β ladder)trans-127.8130.9178.9177.80000108.9D15 I16 G17 V97 L101 L159D15-V99 PolarHBondContact O-N 2.84Å; I16-V99 CarbonylContact C-O 3.46Å; I16-V99 WeakPolarHBondContact CA-O 3.35Å; I16-V99 HydrophobicContact CG1-CB 4.46Å; G17-V99 PolarHBondContact N-O 2.62Å; V97-V99 VanDerWaalsContact CG1-O 3.27Å; V97-V99 WeakPolarHBondContact CG1-O 3.49Å; V99-L101 HydrophobicContact CG1-CD2 3.79Å; V99-L101 HydrophobicContact CG1-CG 4.25Å; V99-L159 HydrophobicContact CG1-CD1 3.82Å
100L97.9Very high96.5Very high49 Ų4957.4 Ų57.426%0.25732%0.315SS..EExtended strand (participates in β ladder)trans-114119174.9-17663.2000109.4G17 I19 I89 M92 I102 Y213G17-L100 WeakPolarHBondContact O-CA 3.29Å; I19-L100 HydrophobicContact CD1-CD1 4Å; I19-L100 HydrophobicContact CD1-CD2 4.3Å; I19-L100 HydrophobicContact CG1-CD1 4.08Å; I89-L100 HydrophobicContact CD1-CD2 4.2Å; M92-L100 HydrophobicContact SD-CD1 3.98Å; L100-I102 HydrophobicContact CD2-CD1 3.95Å; L100-I102 HydrophobicContact CD2-CG1 4.22Å; L100-I102 HydrophobicContact CG-CD1 4.12Å; L100-I102 HydrophobicContact CG-CG1 3.91Å; L100-Y213 HydrophobicContact CD2-CD2 3.6Å; L100-Y213 HydrophobicContact CD2-CE2 4.36Å; L100-Y213 HydrophobicContact CD2-CG 3.82Å
101L96.5Very high96.6Very high81 Ų8165.2 Ų65.242%0.42435%0.345SS..EExtended strand (participates in β ladder)trans-102.4128.7176.5-55.7-178.8000109.5I16 G17 I18 I19 V99I16-L101 HydrophobicContact CG2-CD1 4.03Å; I16-L101 HydrophobicContact CG2-CG 4.09Å; G17-L101 PolarHBondContact O-N 3.04Å; I18-L101 CarbonylContact C-O 3.58Å; I18-L101 WeakPolarHBondContact CA-O 3.22Å; I19-L101 PolarHBondContact N-O 3.3Å; V99-L101 HydrophobicContact CG1-CD2 3.79Å; V99-L101 HydrophobicContact CG1-CG 4.25Å
102I94.8Very high96.6Very high56 Ų5671.9 Ų71.929%0.28737%0.373SS..EExtended strand (participates in β ladder)trans-132.4132.5-173.1-50.9162.9000108.5I19 L100 F209 T210 Y213I19-I102 HydrophobicContact CB-CG1 4.49Å; I19-I102 HydrophobicContact CB-CG2 4.43Å; L100-I102 HydrophobicContact CD2-CD1 3.95Å; L100-I102 HydrophobicContact CD2-CG1 4.22Å; L100-I102 HydrophobicContact CG-CD1 4.12Å; L100-I102 HydrophobicContact CG-CG1 3.91Å; I102-F209 HydrophobicContact CG2-CE1 4.18Å; I102-T210 HydrophobicContact CG2-CG2 4.41Å; I102-Y213 HydrophobicContact CD1-CD2 3.45Å; I102-Y213 VanDerWaalsContact CD1-CD2 3.45Å; I102-Y213 HydrophobicContact CD1-CE2 3.77Å; I102-Y213 HydrophobicContact CG1-CD2 4.46Å; I102-Y213 HydrophobicContact CG1-CE2 4.46Å
103T92.3Very high96.6Very high61 Ų6173.3 Ų73.337%0.37438%0.38SS..  trans-116.3155.8168.961.20000109.7I19 C20 G21 L24 R73I19-T103 PolarHBondContact O-N 3.01Å; I19-T103 VanDerWaalsContact O-N 3.1Å; C20-T103 WeakPolarHBondContact CA-OG1 3.2Å; G21-T103 PolarHBondContact N-OG1 2.94Å; L24-T103 HydrophobicContact CD1-CG2 4.37Å; L24-T103 WeakPolarHBondContact CD1-OG1 3.42Å; R73-T103 PolarHBondContact NH1-O 3.37Å; R73-T103 PolarHBondContact NH2-O 3.43Å
104N91.6Very high96.6Very high35 Ų3573.7 Ų73.719%0.18738%0.382CS..  trans-153.9166.417273.781.8000109.4Y181 F209 T210N104-Y181 WeakPolarHBondContact OD1-CE2 3.27Å; N104-F209 HydrophobicContact CB-CD1 4.37Å; N104-F209 WeakPolarHBondContact CB-O 3.35Å; N104-T210 PolarHBondContact ND2-OG1 2.74Å
105L90.8Very high96.6Very high120 Ų12075.6 Ų75.663%0.62840%0.403SS*.  trans-97.9138.3165.1-67.5175.1000108.3S22S22-L105 WeakPolarHBondContact O-CD1 3.43Å
106A94.5Very high96.5Very high48 Ų4878.1 Ų78.140%0.39743%0.43SS..  trans-140.7153.5-17700000110.7Y181 V205 V206A106-Y181 HydrophobicContact CB-CE2 4.09Å; A106-V205 HydrophobicContact CB-CB 4.03Å; A106-V206 CarbonylContact C-O 3.49Å; A106-V206 VanDerWaalsContact CA-O 3.25Å; A106-V206 WeakPolarHBondContact CA-O 3.42Å; A106-V206 VanDerWaalsContact CB-O 3.27Å; A106-V206 WeakPolarHBondContact CB-O 3.3Å
107G96.3Very high96.5Very high25 Ų2578.1 Ų78.126%0.25842%0.422SS..EExtended strand (participates in β ladder)trans-77.8139.5166.800000110.8V205 V206G107-V205 CarbonylContact O-C 3.21Å; G107-V205 VanDerWaalsContact O-CA 3.25Å; G107-V205 WeakPolarHBondContact O-CA 3.4Å; G107-V206 PolarHBondContact N-O 2.95Å; G107-V206 PolarHBondContact O-N 3.1Å
108G98Very high96.4Very high55 Ų5582.9 Ų82.957%0.56744%0.442SS*.EExtended strand (participates in β ladder)trans-82.7120.5175.500000111.6
109I98.7Very high96.4Very high16 Ų1673.9 Ų73.98%0.08241%0.412CS..  trans-97.6-39.6173.4-58.6-59.9000110.3R111 L198 L199 C203 D204 V206I109-R111 PolarHBondContact O-N 3.04Å; I109-L198 HydrophobicContact CD1-CB 4.31Å; I109-L198 HydrophobicContact CD1-CD1 4.29Å; I109-L198 HydrophobicContact CG1-CB 4.3Å; I109-L198 HydrophobicContact CG2-CB 4.26Å; I109-L199 VanDerWaalsContact CG2-CA 3.47Å; I109-L199 HydrophobicContact CG2-CB 3.67Å; I109-L199 HydrophobicContact CG2-CD1 4.11Å; I109-L199 HydrophobicContact CG2-CG 4.5Å; I109-C203 VanDerWaalsContact CG2-O 3.3Å; I109-C203 WeakPolarHBondContact CG2-O 3.3Å; I109-D204 WeakPolarHBondContact CA-O 3.3Å; I109-D204 WeakPolarHBondContact CB-O 3.47Å; I109-D204 PolarHBondContact N-O 2.89Å; I109-V206 HydrophobicContact CD1-CB 4.39Å; I109-V206 HydrophobicContact CD1-CG1 3.76Å; I109-V206 HydrophobicContact CG1-CB 4.18Å; I109-V206 HydrophobicContact CG1-CG1 3.95Å
110N98.2Very high96.4Very high47 Ų4773.7 Ų73.725%0.25141%0.409SS..SBendtrans-67.8127176.9-173.1-36.5000110.6K112 L113 D204N110-K112 PolarHBondContact O-N 2.97Å; N110-K112 WeakPolarHBondContact OD1-CB 3.36Å; N110-K112 PolarHBondContact OD1-N 3.19Å; N110-L113 HydrophobicContact CB-CD1 3.99Å; N110-L113 HydrophobicContact CB-CG 4.1Å; N110-L113 WeakPolarHBondContact O-CB 3.08Å; N110-L113 PolarHBondContact O-N 3.03Å; N110-D204 HydrophobicContact CB-CB 4.09Å; N110-D204 PolarHBondContact N-O 3.34Å; N110-D204 PolarHBondContact ND2-OD1 2.74Å
111R97.6Very high96.5Very high210 Ų21072.6 Ų72.679%0.79240%0.403SS*.THydrogen-bonded Turntrans-60.6-14.3-177.3-63.2179.5-180-92.8-3114.8I109I109-R111 PolarHBondContact O-N 3.04Å
112K98.1Very high96.5Very high151 Ų15173.3 Ų73.366%0.65740%0.403SS*.THydrogen-bonded Turntrans-80.9-24.7177-65.3-179.3-179.5179.30113N110 K114N110-K112 PolarHBondContact O-N 2.97Å; N110-K112 WeakPolarHBondContact OD1-CB 3.36Å; N110-K112 PolarHBondContact OD1-N 3.19Å; K112-K114 PolarHBondContact O-NZ 3.4Å
113L98.4Very high96.7Very high33 Ų3371.6 Ų71.617%0.17340%0.399CS..  trans-74.8141.6-175.6-60.9174.6000111.4N110 D117 V119 H177 D204 V205N110-L113 HydrophobicContact CB-CD1 3.99Å; N110-L113 HydrophobicContact CB-CG 4.1Å; N110-L113 WeakPolarHBondContact O-CB 3.08Å; N110-L113 PolarHBondContact O-N 3.03Å; L113-D117 WeakPolarHBondContact CA-OD2 3.35Å; L113-D117 HydrophobicContact CD2-CB 4.4Å; L113-V119 HydrophobicContact CD1-CG2 4.05Å; L113-V119 HydrophobicContact CD2-CG2 3.7Å; L113-H177 HydrophobicContact CD2-CB 3.94Å; L113-D204 VanDerWaalsContact CD1-O 3.3Å; L113-D204 WeakPolarHBondContact CD1-O 3.4Å; L113-V205 HydrophobicContact CD1-CG1 3.54Å
114K97.9Very high97Very high147 Ų14770.8 Ų70.864%0.63939%0.391SS*.  trans-122.5159.5174.9-74.2172.1-78.9-60.20109.4K112 G116 D117K112-K114 PolarHBondContact O-NZ 3.4Å; K114-G116 PolarHBondContact O-N 2.94Å; K114-D117 PolarHBondContact N-OD2 2.94Å; K114-D117 WeakPolarHBondContact O-CB 3.44Å; K114-D117 PolarHBondContact O-N 3.08Å; K114-D117 VanDerWaalsContact O-N 3.15Å
115S96.3Very high97.3Very high133 Ų13371.2 Ų71.293%0.9339%0.392SS*.THydrogen-bonded Turntrans-61.3125.8173.2179.30000109.8
116G95Very high97.7Very high56 Ų5666.4 Ų66.458%0.57737%0.367SS*.THydrogen-bonded Turntrans102.8-11.6-176.600000114.3K114K114-G116 PolarHBondContact O-N 2.94Å
117D98.1Very high97.8Very high32 Ų3267.2 Ų67.217%0.17136%0.362CS..  trans-69151.7175-67.1-1.6000111.5L113 K114 H177L113-D117 WeakPolarHBondContact CA-OD2 3.35Å; L113-D117 HydrophobicContact CD2-CB 4.4Å; K114-D117 PolarHBondContact N-OD2 2.94Å; K114-D117 WeakPolarHBondContact O-CB 3.44Å; K114-D117 PolarHBondContact O-N 3.08Å; K114-D117 VanDerWaalsContact O-N 3.15Å; D117-H177 IonicContact OD2-CD2 3.62Å; D117-H177 IonicContact OD2-NE2 3.66Å; D117-H177 PolarHBondContact OD2-NE2 3.13Å
118F97.7Very high97.8Very high114 Ų11467.1 Ų67.150%0.536%0.357SS..EExtended strand (participates in β ladder)trans-104.2139.3173-59.5-76.1000110.5L175 V176 H177F118-L175 HydrophobicContact CD2-CB 4.23Å; F118-L175 PolarHBondContact N-O 3.45Å; F118-V176 HydrophobicContact CB-CG2 4.45Å; F118-H177 PolarHBondContact O-N 3.05Å
119V98.3Very high97.8Very high36 Ų3665.4 Ų65.422%0.21834%0.339CS..EExtended strand (participates in β ladder)trans-121.9115.5175.4-172.70000110L113 I121 H177 V205L113-V119 HydrophobicContact CD1-CG2 4.05Å; L113-V119 HydrophobicContact CD2-CG2 3.7Å; V119-I121 HydrophobicContact CB-CD1 4.39Å; V119-I121 HydrophobicContact CG1-CD1 4.05Å; V119-I121 PolarHBondContact O-N 2.75Å; V119-H177 CarbonylContact C-O 3.56Å; V119-H177 WeakPolarHBondContact CA-O 3.45Å; V119-H177 HydrophobicContact CG2-CB 4.36Å; V119-V205 HydrophobicContact CB-CG1 4.21Å; V119-V205 HydrophobicContact CG1-CG1 4.33Å; V119-V205 HydrophobicContact CG2-CG1 3.7Å
120L98.4Very high97.8Very high42 Ų4271.3 Ų71.322%0.2237%0.37CS..EExtended strand (participates in β ladder)trans-71.8113.1166.9-57.5-177.7000108.3K122 Q160 A163 L164 V176 H177 E178 G179L120-K122 PolarHBondContact O-N 3.27Å; L120-Q160 HydrophobicContact CB-CG 4.47Å; L120-Q160 HydrophobicContact CD1-CB 4.45Å; L120-Q160 WeakPolarHBondContact CD1-O 3.37Å; L120-A163 HydrophobicContact CD1-CB 4.28Å; L120-A163 HydrophobicContact CD2-CB 3.88Å; L120-L164 HydrophobicContact CD1-CB 4.19Å; L120-V176 HydrophobicContact CD1-CG1 4.01Å; L120-V176 HydrophobicContact CG-CG1 3.96Å; L120-H177 PolarHBondContact N-O 3.33Å; L120-E178 VanDerWaalsContact O-CA 3.3Å; L120-E178 WeakPolarHBondContact O-CA 3.36Å; L120-G179 PolarHBondContact O-N 3.37Å
121I98.3Very high97.8Very high26 Ų2671.4 Ų71.413%0.13338%0.382CS..EExtended strand (participates in β ladder)trans-73.9118.8-177.6-53.9-48.9000109.4V119 G123 Y155 G179 Y181 V205V119-I121 HydrophobicContact CB-CD1 4.39Å; V119-I121 HydrophobicContact CG1-CD1 4.05Å; V119-I121 PolarHBondContact O-N 2.75Å; I121-G123 VanDerWaalsContact CG2-O 3.23Å; I121-G123 WeakPolarHBondContact CG2-O 3.42Å; I121-Y155 HydrophobicContact CB-CD1 4.21Å; I121-Y155 HydrophobicContact CB-CE1 4.04Å; I121-Y155 HydrophobicContact CG2-CD1 4.06Å; I121-Y155 HydrophobicContact CG2-CD2 4.35Å; I121-Y155 HydrophobicContact CG2-CE1 3.6Å; I121-Y155 HydrophobicContact CG2-CE2 3.89Å; I121-Y155 HydrophobicContact CG2-CG 4.41Å; I121-Y155 VanDerWaalsContact CG2-CZ 3.48Å; I121-Y155 VanDerWaalsContact O-CB 3.31Å; I121-Y155 WeakPolarHBondContact O-CB 3.43Å; I121-G179 WeakPolarHBondContact CA-O 3.35Å; I121-Y181 HydrophobicContact CD1-CD2 4Å; I121-Y181 HydrophobicContact CG1-CD2 4.49Å; I121-V205 HydrophobicContact CD1-CG2 3.91Å
122K98.3Very high97.8Very high97 Ų9768.1 Ų68.142%0.42238%0.38SS..EExtended strand (participates in β ladder)trans-102.4-10.2178.265.8176.2172.3-1740113.9L120 E178 G179L120-K122 PolarHBondContact O-N 3.27Å; K122-E178 HydrophobicContact CD-CB 4.37Å; K122-E178 IonicContact NZ-OE1 3.3Å; K122-E178 PolarHBondContact NZ-OE1 2.95Å; K122-G179 PolarHBondContact N-O 3.23Å
123G98.3Very high97.7Very high19 Ų1966 Ų6620%0.19638%0.376CS..EExtended strand (participates in β ladder)trans-176.5171.3-17600000111I121 V180 Y181I121-G123 VanDerWaalsContact CG2-O 3.23Å; I121-G123 WeakPolarHBondContact CG2-O 3.42Å; G123-V180 WeakPolarHBondContact O-CA 3.49Å; G123-Y181 PolarHBondContact O-N 2.7Å
124H98.5Very high97.6Very high44 Ų4466.5 Ų66.520%0.20438%0.379CS..EExtended strand (participates in β ladder)trans-144.7155.4178.463.7-110.6000112.8Y155 Y181H124-Y155 HydrophobicContact CB-CE2 4.33Å; H124-Y155 AromaticContact ND1-CE2 3.37Å; H124-Y155 WeakPolarHBondContact ND1-CE2 3.25Å; H124-Y155 AromaticContact ND1-CZ 3.57Å; H124-Y155 PolarHBondContact ND1-OH 3.48Å; H124-Y181 CarbonylContact C-O 3.52Å; H124-Y181 WeakPolarHBondContact CA-O 3.35Å; H124-Y181 WeakPolarHBondContact CB-O 3.48Å
125I98.5Very high97.5Very high44 Ų4460.3 Ų60.323%0.22635%0.353CS..EExtended strand (participates in β ladder)trans-108113.1162.6-57.4-168.4000107.9F127 V180 Y181 F183 L201I125-F127 HydrophobicContact CB-CE2 4.19Å; I125-F127 HydrophobicContact CG2-CD1 4.42Å; I125-F127 HydrophobicContact CG2-CD2 4.06Å; I125-F127 HydrophobicContact CG2-CE1 4.08Å; I125-F127 HydrophobicContact CG2-CE2 3.67Å; I125-F127 HydrophobicContact CG2-CG 4.41Å; I125-F127 HydrophobicContact CG2-CZ 3.69Å; I125-F127 PolarHBondContact O-N 3.08Å; I125-V180 HydrophobicContact CG1-CG1 4.07Å; I125-Y181 PolarHBondContact N-O 2.81Å; I125-F183 PolarHBondContact O-N 2.87Å; I125-L201 HydrophobicContact CD1-CB 4.42Å
126N97.9Very high97.6Very high19 Ų1956.7 Ų56.710%0.10232%0.323CS..EExtended strand (participates in β ladder)trans-97.280-174.9-177.66000110.9G129 L130N126-G129 WeakPolarHBondContact O-CA 3.3Å; N126-G129 PolarHBondContact O-N 2.95Å; N126-G129 PolarHBondContact OD1-N 3.3Å; N126-L130 PolarHBondContact O-N 2.84Å
127F97.7Very high97.7Very high66 Ų6657.3 Ų57.329%0.28932%0.315SS..Hα-helixtrans-57.1-46.2-178.3-67.5-82.1000113.2I125 G129 L130 G131 A182 L198 L201I125-F127 HydrophobicContact CB-CE2 4.19Å; I125-F127 HydrophobicContact CG2-CD1 4.42Å; I125-F127 HydrophobicContact CG2-CD2 4.06Å; I125-F127 HydrophobicContact CG2-CE1 4.08Å; I125-F127 HydrophobicContact CG2-CE2 3.67Å; I125-F127 HydrophobicContact CG2-CG 4.41Å; I125-F127 HydrophobicContact CG2-CZ 3.69Å; I125-F127 PolarHBondContact O-N 3.08Å; F127-G129 VanDerWaalsContact C-N 3.26Å; F127-G129 PolarHBondContact O-N 3.41Å; F127-L130 PolarHBondContact O-N 3.4Å; F127-G131 PolarHBondContact O-N 3.27Å; F127-A182 HydrophobicContact CE2-CB 4.08Å; F127-L198 HydrophobicContact CE2-CD2 3.43Å; F127-L198 VanDerWaalsContact CE2-CD2 3.43Å; F127-L198 HydrophobicContact CZ-CD2 3.48Å; F127-L198 VanDerWaalsContact CZ-CD2 3.48Å; F127-L201 HydrophobicContact CE1-CD1 4.09Å; F127-L201 HydrophobicContact CZ-CD1 3.85Å
128P96.5Very high97.6Very high22 Ų2257.1 Ų57.114%0.14332%0.321CS..Hα-helixtrans-58.5-37.6172.7-30.641.1000112.9L130 G131 L132 N133 F183P128-L130 PolarHBondContact O-N 2.82Å; P128-G131 CarbonylContact O-C 3.55Å; P128-G131 PolarHBondContact O-N 3.26Å; P128-G131 VanDerWaalsContact O-N 3.17Å; P128-L132 PolarHBondContact O-N 3.44Å; P128-N133 HydrophobicContact CB-CB 4Å; P128-N133 CarbonylContact O-C 3.59Å; P128-N133 VanDerWaalsContact O-C 3.29Å; P128-N133 VanDerWaalsContact O-CA 3.25Å; P128-N133 WeakPolarHBondContact O-CA 3.32Å; P128-N133 WeakPolarHBondContact O-CB 3.25Å; P128-N133 PolarHBondContact O-N 2.78Å; P128-F183 HydrophobicContact CB-CD1 4.35Å; P128-F183 HydrophobicContact CB-CE1 3.97Å; P128-F183 WeakPolarHBondContact CD-O 3.38Å; P128-F183 HydrophobicContact CG-CD1 3.69Å; P128-F183 HydrophobicContact CG-CE1 3.45Å; P128-F183 VanDerWaalsContact CG-CE1 3.45Å; P128-F183 HydrophobicContact CG-CZ 4.24Å
129G97.3Very high97.6Very high19 Ų1956.5 Ų56.520%0.19633%0.329CS..Hα-helixtrans-60.4-43175.400000113.5N126 F127 G131N126-G129 WeakPolarHBondContact O-CA 3.3Å; N126-G129 PolarHBondContact O-N 2.95Å; N126-G129 PolarHBondContact OD1-N 3.3Å; F127-G129 VanDerWaalsContact C-N 3.26Å; F127-G129 PolarHBondContact O-N 3.41Å; G129-G131 VanDerWaalsContact C-N 3.3Å
130L98.3Very high97.6Very high140 Ų14056.6 Ų56.673%0.73333%0.328SS*.Hα-helixtrans-65-34.7174.2-63.1174.7000111.8N126 F127 P128 L132N126-L130 PolarHBondContact O-N 2.84Å; F127-L130 PolarHBondContact O-N 3.4Å; P128-L130 PolarHBondContact O-N 2.82Å; L130-L132 VanDerWaalsContact C-N 3.33Å; L130-L132 PolarHBondContact O-N 3.29Å
131G97.9Very high97.5Very high49 Ų4958.2 Ų58.251%0.50533%0.334SS..THydrogen-bonded Turntrans-87.629.8178.600000115.8F127 P128 G129 N133F127-G131 PolarHBondContact O-N 3.27Å; P128-G131 CarbonylContact O-C 3.55Å; P128-G131 PolarHBondContact O-N 3.26Å; P128-G131 VanDerWaalsContact O-N 3.17Å; G129-G131 VanDerWaalsContact C-N 3.3Å; G131-N133 PolarHBondContact O-N 3.19Å; G131-N133 VanDerWaalsContact O-N 3.13Å
132L97.4Very high97.5Very high142 Ų14263 Ų6374%0.74336%0.36SS*.THydrogen-bonded Turntrans58.818.7-179-70.5176.9000116.2P128 L130P128-L132 PolarHBondContact O-N 3.44Å; L130-L132 VanDerWaalsContact C-N 3.33Å; L130-L132 PolarHBondContact O-N 3.29Å
133N96.1Very high97.4Very high107 Ų10766 Ų6657%0.57238%0.376SS*.  trans-110.733.5172.8-73.6-39.3000111.9P128 G131 K211P128-N133 HydrophobicContact CB-CB 4Å; P128-N133 CarbonylContact O-C 3.59Å; P128-N133 VanDerWaalsContact O-C 3.29Å; P128-N133 VanDerWaalsContact O-CA 3.25Å; P128-N133 WeakPolarHBondContact O-CA 3.32Å; P128-N133 WeakPolarHBondContact O-CB 3.25Å; P128-N133 PolarHBondContact O-N 2.78Å; G131-N133 PolarHBondContact O-N 3.19Å; G131-N133 VanDerWaalsContact O-N 3.13Å; N133-K211 PolarHBondContact O-NZ 2.71Å
134N97.2Very high97.4Very high43 Ų4368.6 Ų68.623%0.2338%0.382CS..  trans-63144.1170.3-165.9-59.1000109.7N82 L136 V137N82-N134 PolarHBondContact ND2-O 2.81Å; N134-L136 PolarHBondContact O-N 3.24Å; N134-L136 PolarHBondContact OD1-N 3.28Å; N134-V137 HydrophobicContact CB-CG2 3.93Å; N134-V137 WeakPolarHBondContact O-CB 3.31Å; N134-V137 WeakPolarHBondContact O-CG2 3.49Å; N134-V137 PolarHBondContact O-N 3.15Å
135V95.9Very high97.3Very high17 Ų1767.9 Ų67.910%0.10339%0.386CS..THydrogen-bonded Turntrans-64.5-20.517972.80000112.8N82 I85 K211N82-V135 VanDerWaalsContact CB-O 3.3Å; N82-V135 WeakPolarHBondContact CB-O 3.48Å; N82-V135 VanDerWaalsContact CG-O 3.32Å; N82-V135 PolarHBondContact ND2-O 3.13Å; I85-V135 HydrophobicContact CB-CG2 4.26Å; I85-V135 HydrophobicContact CG2-CG2 3.97Å; V135-K211 HydrophobicContact CB-CD 4.02Å
136L97.3Very high97.3Very high57 Ų5770 Ų7030%0.29840%0.403SS..THydrogen-bonded Turntrans-936.1176-62.2177.3000113.6N134 G138 P149N134-L136 PolarHBondContact O-N 3.24Å; N134-L136 PolarHBondContact OD1-N 3.28Å; L136-G138 PolarHBondContact O-N 3.17Å; L136-P149 HydrophobicContact CD1-CG 3.68Å
137V97.7Very high97.3Very high68 Ų6874.7 Ų74.741%0.41242%0.419SS..  trans-64.4127.1169.6174.60000109.3N82 N134N82-V137 PolarHBondContact ND2-O 3.48Å; N134-V137 HydrophobicContact CB-CG2 3.93Å; N134-V137 WeakPolarHBondContact O-CB 3.31Å; N134-V137 WeakPolarHBondContact O-CG2 3.49Å; N134-V137 PolarHBondContact O-N 3.15Å
138G97.1Very high97.3Very high29 Ų2980.1 Ų80.130%0.29944%0.443SS..SBendtrans130.3-173.5-174.100000111.8L136 R147L136-G138 PolarHBondContact O-N 3.17Å; G138-R147 PolarHBondContact O-NH1 2.8Å; G138-R147 PolarHBondContact O-NH2 2.8Å
139P97.6Very high97.4Very high101 Ų10181.3 Ų81.366%0.65645%0.45SS*.SBendtrans-60.8142.9171.6-21.433.5000111.4
140N98Very high97.4Very high38 Ų3886.3 Ų86.320%0.20347%0.473CS..  trans-68.9154.3171.6-161.347.7000109.8D142 G145N140-D142 PolarHBondContact ND2-OD1 3.04Å; N140-G145 PolarHBondContact ND2-O 3.08Å
141Q96.7Very high97.4Very high76 Ų7682.2 Ų82.236%0.35545%0.451SS..  trans-114.992.4167.8-59.8-68.6-75.900106.1E143 F144Q141-E143 PolarHBondContact O-N 3.14Å; Q141-E143 VanDerWaalsContact O-N 3.09Å; Q141-F144 HydrophobicContact CB-CD2 3.78Å; Q141-F144 PolarHBondContact O-N 3.26Å
142D97.5Very high97.4Very high125 Ų12583.7 Ų83.767%0.66845%0.454SS*.THydrogen-bonded Turntrans-61.1-22.9-166.6-65.1-40.8000112.7N140 F144N140-D142 PolarHBondContact ND2-OD1 3.04Å; D142-F144 PolarHBondContact O-N 3.22Å
143E96.9Very high97.3Very high161 Ų16182 Ų8275%0.75245%0.445SS*.THydrogen-bonded Turntrans-68.4-18176.1-54.577.1-166.400113.3Q141Q141-E143 PolarHBondContact O-N 3.14Å; Q141-E143 VanDerWaalsContact O-N 3.09Å
144F96.9Very high97.4Very high74 Ų7479.3 Ų79.333%0.32544%0.438SS..THydrogen-bonded Turntrans-102-28.5-179-70.4-75.5000113.9R90 L94 Q141 D142R90-F144 HydrophobicContact CB-CD1 4.05Å; R90-F144 HydrophobicContact CB-CE1 3.47Å; R90-F144 VanDerWaalsContact CB-CE1 3.47Å; R90-F144 HydrophobicContact CB-CE2 4.34Å; R90-F144 HydrophobicContact CB-CZ 3.65Å; R90-F144 HydrophobicContact CG-CD1 3.7Å; R90-F144 HydrophobicContact CG-CD2 4.19Å; R90-F144 HydrophobicContact CG-CE1 3.65Å; R90-F144 HydrophobicContact CG-CE2 4.14Å; R90-F144 HydrophobicContact CG-CG 3.98Å; R90-F144 HydrophobicContact CG-CZ 3.87Å; L94-F144 HydrophobicContact CD1-CE1 4.49Å; L94-F144 HydrophobicContact CD1-CZ 4.24Å; L94-F144 HydrophobicContact CD2-CE1 4.39Å; L94-F144 HydrophobicContact CG-CE1 4.2Å; L94-F144 HydrophobicContact CG-CZ 4.43Å; Q141-F144 HydrophobicContact CB-CD2 3.78Å; Q141-F144 PolarHBondContact O-N 3.26Å; D142-F144 PolarHBondContact O-N 3.22Å
145G97Very high97.5Very high29 Ų2979.5 Ų79.530%0.29944%0.436SS..  trans170.3177.1-17600000114.7N140N140-G145 PolarHBondContact ND2-O 3.08Å
146P98Very high97.6Very high88 Ų8882.4 Ų82.457%0.57145%0.451SS*.  trans-72.2158.1-176.632.5-36.7000111.9F148 P149P146-F148 PolarHBondContact O-N 3.4Å; P146-P149 HydrophobicContact CG-CB 4.4Å
147R97.8Very high97.6Very high118 Ų11887.9 Ų87.945%0.44547%0.468SS..SBendtrans-60.2-31.8175.6178.563-158-177.55.4113.9G138G138-R147 PolarHBondContact O-NH1 2.8Å; G138-R147 PolarHBondContact O-NH2 2.8Å
148F97.9Very high97.7Very high179 Ų17990.5 Ų90.579%0.78548%0.479SS*.SBendtrans-130.182.6-175.4-55.7-71.2000109.9P146P146-F148 PolarHBondContact O-N 3.4Å
149P97.9Very high97.7Very high47 Ų4792.5 Ų92.531%0.30548%0.482SS..  trans-71.5138.9179.628-33.1000111.8L136 P146L136-P149 HydrophobicContact CD1-CG 3.68Å; P146-P149 HydrophobicContact CG-CB 4.4Å
150D98Very high97.8Very high125 Ų12589.3 Ų89.367%0.66846%0.459SS*.  trans-81.4130.7165.9179.417000109.8S152D150-S152 VanDerWaalsContact CG-OG 3.23Å; D150-S152 VanDerWaalsContact OD1-CB 3.27Å; D150-S152 WeakPolarHBondContact OD1-CB 3.27Å; D150-S152 PolarHBondContact OD1-N 3.45Å; D150-S152 PolarHBondContact OD1-OG 3.44Å; D150-S152 WeakPolarHBondContact OD2-CB 3.41Å; D150-S152 PolarHBondContact OD2-OG 3.22Å
151L97.9Very high97.8Very high54 Ų5493.3 Ų93.328%0.28348%0.476SS..  trans-103.63.5-179.2-58.3179.8000113.1N153 A154L151-N153 PolarHBondContact O-N 3.35Å; L151-N153 VanDerWaalsContact O-N 3.13Å; L151-A154 HydrophobicContact CB-CB 4.26Å; L151-A154 HydrophobicContact CD2-CB 4.34Å; L151-A154 VanDerWaalsContact O-CB 3.3Å; L151-A154 WeakPolarHBondContact O-CB 3.46Å; L151-A154 PolarHBondContact O-N 3.18Å
152S97.5Very high97.9Very high80 Ų8094.1 Ų94.156%0.55948%0.482SS*.THydrogen-bonded Turntrans-56-29-178.967.50000114D150D150-S152 VanDerWaalsContact CG-OG 3.23Å; D150-S152 VanDerWaalsContact OD1-CB 3.27Å; D150-S152 WeakPolarHBondContact OD1-CB 3.27Å; D150-S152 PolarHBondContact OD1-N 3.45Å; D150-S152 PolarHBondContact OD1-OG 3.44Å; D150-S152 WeakPolarHBondContact OD2-CB 3.41Å; D150-S152 PolarHBondContact OD2-OG 3.22Å
153N97.2Very high97.9Very high105 Ų10590 Ų9056%0.56147%0.466SS*.THydrogen-bonded Turntrans-119.424.4177.9-62.2-78.7000112.4L151 Y155L151-N153 PolarHBondContact O-N 3.35Å; L151-N153 VanDerWaalsContact O-N 3.13Å; N153-Y155 PolarHBondContact O-N 3.29Å
154A97.8Very high98Very high51 Ų5185.3 Ų85.342%0.42145%0.445SS..SBendtrans-62.7-26.1-179.600000113.1L151L151-A154 HydrophobicContact CB-CB 4.26Å; L151-A154 HydrophobicContact CD2-CB 4.34Å; L151-A154 VanDerWaalsContact O-CB 3.3Å; L151-A154 WeakPolarHBondContact O-CB 3.46Å; L151-A154 PolarHBondContact O-N 3.18Å
155Y98.1Very high98.1Very high48 Ų4887 Ų8719%0.18845%0.453CS..SBendtrans-108.3107174.8-57-76.5000109.2I121 H124 N153 R157 Q160I121-Y155 HydrophobicContact CB-CD1 4.21Å; I121-Y155 HydrophobicContact CB-CE1 4.04Å; I121-Y155 HydrophobicContact CG2-CD1 4.06Å; I121-Y155 HydrophobicContact CG2-CD2 4.35Å; I121-Y155 HydrophobicContact CG2-CE1 3.6Å; I121-Y155 HydrophobicContact CG2-CE2 3.89Å; I121-Y155 HydrophobicContact CG2-CG 4.41Å; I121-Y155 VanDerWaalsContact CG2-CZ 3.48Å; I121-Y155 VanDerWaalsContact O-CB 3.31Å; I121-Y155 WeakPolarHBondContact O-CB 3.43Å; H124-Y155 HydrophobicContact CB-CE2 4.33Å; H124-Y155 AromaticContact ND1-CE2 3.37Å; H124-Y155 WeakPolarHBondContact ND1-CE2 3.25Å; H124-Y155 AromaticContact ND1-CZ 3.57Å; H124-Y155 PolarHBondContact ND1-OH 3.48Å; N153-Y155 PolarHBondContact O-N 3.29Å; Y155-R157 PolarHBondContact O-N 3.1Å; Y155-Q160 PolarHBondContact O-NE2 2.99Å; Y155-Q160 VanDerWaalsContact O-NE2 3.09Å
156D98.4Very high98.1Very high77 Ų7789.3 Ų89.341%0.41246%0.457SS..  trans-64.6128.3-172.7-176.1-88.7000111.9L158 L159 Q160D156-L158 WeakPolarHBondContact OD1-CA 3.46Å; D156-L158 WeakPolarHBondContact OD1-CB 3.32Å; D156-L158 PolarHBondContact OD1-N 3.35Å; D156-L159 HydrophobicContact CB-CB 4.15Å; D156-L159 HydrophobicContact CB-CD1 3.97Å; D156-L159 HydrophobicContact CB-CG 3.98Å; D156-L159 PolarHBondContact OD1-N 2.78Å; D156-Q160 WeakPolarHBondContact O-CG 3.31Å; D156-Q160 PolarHBondContact O-N 2.99Å; D156-Q160 PolarHBondContact O-NE2 3.4Å
157R98.1Very high98.2Very high173 Ų17385.1 Ų85.165%0.65343%0.43SS*.Hα-helixtrans-71.6-32.9-176.6-74.3-176.1-80.3173.8-6.1112.6Y155 Q160 Q161Y155-R157 PolarHBondContact O-N 3.1Å; R157-Q160 PolarHBondContact O-N 3.37Å; R157-Q161 VanDerWaalsContact O-CG 3.27Å; R157-Q161 WeakPolarHBondContact O-CG 3.37Å; R157-Q161 PolarHBondContact O-N 3.17Å
158L98.5Very high98.2Very high123 Ų12384.4 Ų84.464%0.64443%0.432SS*.Hα-helixtrans-72.4-37.1179.1-62.6175.8000110.9D156 Q161 L162D156-L158 WeakPolarHBondContact OD1-CA 3.46Å; D156-L158 WeakPolarHBondContact OD1-CB 3.32Å; D156-L158 PolarHBondContact OD1-N 3.35Å; L158-Q161 PolarHBondContact O-N 3.38Å; L158-L162 WeakPolarHBondContact O-CB 3.33Å; L158-L162 PolarHBondContact O-N 3.47Å
159L98.5Very high98.2Very high71 Ų7181.3 Ų81.337%0.37242%0.42SS..Hα-helixtrans-64.9-39.8173.2-66.9-176.8000112.1V99 D156 L162 A163V99-L159 HydrophobicContact CG1-CD1 3.82Å; D156-L159 HydrophobicContact CB-CB 4.15Å; D156-L159 HydrophobicContact CB-CD1 3.97Å; D156-L159 HydrophobicContact CB-CG 3.98Å; D156-L159 PolarHBondContact OD1-N 2.78Å; L159-L162 PolarHBondContact O-N 3.11Å; L159-A163 WeakPolarHBondContact O-CB 3.14Å; L159-A163 PolarHBondContact O-N 2.92Å
160Q98.5Very high98.3Very high34 Ų3484.1 Ų84.116%0.15943%0.432CS..Hα-helixtrans-62.4-46.5173.7-72.1168.473.500111.5L120 Y155 D156 R157 L162 A163 L164L120-Q160 HydrophobicContact CB-CG 4.47Å; L120-Q160 HydrophobicContact CD1-CB 4.45Å; L120-Q160 WeakPolarHBondContact CD1-O 3.37Å; Y155-Q160 PolarHBondContact O-NE2 2.99Å; Y155-Q160 VanDerWaalsContact O-NE2 3.09Å; D156-Q160 WeakPolarHBondContact O-CG 3.31Å; D156-Q160 PolarHBondContact O-N 2.99Å; D156-Q160 PolarHBondContact O-NE2 3.4Å; R157-Q160 PolarHBondContact O-N 3.37Å; Q160-L162 VanDerWaalsContact C-N 3.34Å; Q160-L162 PolarHBondContact O-N 3.2Å; Q160-A163 PolarHBondContact O-N 2.67Å; Q160-L164 PolarHBondContact O-N 2.87Å
161Q98.5Very high98.3Very high121 Ų12184.7 Ų84.757%0.56544%0.436SS*.Hα-helixtrans-61.3-41.7176.4-72.9170.73.200112R157 L158 L164 K165R157-Q161 VanDerWaalsContact O-CG 3.27Å; R157-Q161 WeakPolarHBondContact O-CG 3.37Å; R157-Q161 PolarHBondContact O-N 3.17Å; L158-Q161 PolarHBondContact O-N 3.38Å; Q161-L164 PolarHBondContact O-N 2.99Å; Q161-K165 WeakPolarHBondContact O-CB 3.49Å; Q161-K165 PolarHBondContact O-N 3.45Å
162L98.6Very high98.3Very high93 Ų9385.6 Ų85.649%0.48744%0.437SS..Hα-helixtrans-62.5-45.2176.2178.561.6000111.6L158 L159 Q160 K165 I166L158-L162 WeakPolarHBondContact O-CB 3.33Å; L158-L162 PolarHBondContact O-N 3.47Å; L159-L162 PolarHBondContact O-N 3.11Å; Q160-L162 VanDerWaalsContact C-N 3.34Å; Q160-L162 PolarHBondContact O-N 3.2Å; L162-K165 PolarHBondContact O-N 3Å; L162-I166 HydrophobicContact CD1-CD1 4.18Å; L162-I166 HydrophobicContact CD1-CG1 4.44Å; L162-I166 HydrophobicContact CG-CD1 4.12Å; L162-I166 WeakPolarHBondContact O-CG1 3.4Å; L162-I166 PolarHBondContact O-N 2.88Å
163A98.4Very high98.3Very high39 Ų3985.3 Ų85.332%0.32243%0.427SS..Hα-helixtrans-61.5-44.9177.800000111.8L120 L159 Q160 I166 A167L120-A163 HydrophobicContact CD1-CB 4.28Å; L120-A163 HydrophobicContact CD2-CB 3.88Å; L159-A163 WeakPolarHBondContact O-CB 3.14Å; L159-A163 PolarHBondContact O-N 2.92Å; Q160-A163 PolarHBondContact O-N 2.67Å; A163-I166 PolarHBondContact O-N 3.41Å; A163-A167 PolarHBondContact O-N 2.98Å; A163-A167 VanDerWaalsContact O-N 3.11Å
164L98.5Very high98.4Very high62 Ų6285.6 Ų85.633%0.32543%0.429SS..Hα-helixtrans-63.8-40.8175.8-179.461.4000112L120 Q160 Q161 I166 A167 Q168 V176L120-L164 HydrophobicContact CD1-CB 4.19Å; Q160-L164 PolarHBondContact O-N 2.87Å; Q161-L164 PolarHBondContact O-N 2.99Å; L164-I166 VanDerWaalsContact C-N 3.34Å; L164-I166 PolarHBondContact O-N 2.87Å; L164-A167 WeakPolarHBondContact O-CB 3.37Å; L164-A167 PolarHBondContact O-N 3.01Å; L164-Q168 WeakPolarHBondContact O-CG 3.23Å; L164-Q168 PolarHBondContact O-N 2.78Å; L164-V176 HydrophobicContact CD1-CB 4.34Å; L164-V176 HydrophobicContact CD1-CG1 4.09Å
165K98.7Very high98.4Very high111 Ų11186.2 Ų86.248%0.48342%0.424SS..Hα-helixtrans-59.9-44.7176.4-169.2-173-173.9-110.80111.5Q161 L162 A167 Q168 E169Q161-K165 WeakPolarHBondContact O-CB 3.49Å; Q161-K165 PolarHBondContact O-N 3.45Å; L162-K165 PolarHBondContact O-N 3Å; K165-A167 VanDerWaalsContact C-N 3.28Å; K165-A167 PolarHBondContact O-N 2.97Å; K165-Q168 WeakPolarHBondContact O-CB 3.46Å; K165-Q168 PolarHBondContact O-N 3.17Å; K165-E169 VanDerWaalsContact CE-OE1 3.31Å; K165-E169 WeakPolarHBondContact CE-OE1 3.31Å; K165-E169 IonicContact NZ-OE1 2.71Å; K165-E169 PolarHBondContact NZ-OE1 3.03Å; K165-E169 WeakPolarHBondContact O-CG 3.34Å; K165-E169 PolarHBondContact O-N 3.46Å
166I98.5Very high98.4Very high76 Ų7685 Ų8539%0.3942%0.422SS..Hα-helixtrans-62-38176.8-68.5166000110.8L162 A163 L164 E169 N170L162-I166 HydrophobicContact CD1-CD1 4.18Å; L162-I166 HydrophobicContact CD1-CG1 4.44Å; L162-I166 HydrophobicContact CG-CD1 4.12Å; L162-I166 WeakPolarHBondContact O-CG1 3.4Å; L162-I166 PolarHBondContact O-N 2.88Å; A163-I166 PolarHBondContact O-N 3.41Å; L164-I166 VanDerWaalsContact C-N 3.34Å; L164-I166 PolarHBondContact O-N 2.87Å; I166-E169 PolarHBondContact O-N 3.31Å; I166-N170 PolarHBondContact O-N 3.41Å; I166-N170 PolarHBondContact O-ND2 3.01Å
167A98.6Very high98.4Very high1 Ų183.7 Ų83.71%0.00841%0.413CS..Hα-helixtrans-64.2-40.3175.300000113A163 L164 K165 N170 D171 F172 Q173 V176A163-A167 PolarHBondContact O-N 2.98Å; A163-A167 VanDerWaalsContact O-N 3.11Å; L164-A167 WeakPolarHBondContact O-CB 3.37Å; L164-A167 PolarHBondContact O-N 3.01Å; K165-A167 VanDerWaalsContact C-N 3.28Å; K165-A167 PolarHBondContact O-N 2.97Å; A167-N170 CarbonylContact O-C 3.4Å; A167-N170 PolarHBondContact O-N 3.49Å; A167-D171 PolarHBondContact O-N 3Å; A167-F172 VanDerWaalsContact CA-CZ 3.46Å; A167-F172 HydrophobicContact CB-CD1 4.47Å; A167-F172 HydrophobicContact CB-CD2 3.82Å; A167-F172 HydrophobicContact CB-CE1 4.18Å; A167-F172 HydrophobicContact CB-CE2 3.44Å; A167-F172 VanDerWaalsContact CB-CE2 3.44Å; A167-F172 HydrophobicContact CB-CG 4.31Å; A167-F172 HydrophobicContact CB-CZ 3.64Å; A167-F172 PolarHBondContact O-N 3.21Å; A167-Q173 HydrophobicContact CB-CB 4.44Å; A167-Q173 PolarHBondContact O-N 3.46Å; A167-Q173 PolarHBondContact O-OE1 3.17Å; A167-V176 HydrophobicContact CB-CB 4.49Å; A167-V176 HydrophobicContact CB-CG2 3.66Å
168Q98.5Very high98.4Very high102 Ų10281 Ų8148%0.47741%0.408SS..Hα-helixtrans-65.7-40.6174.7-68.6168.2-10.500112.2L164 K165 N170 D171 Q173L164-Q168 WeakPolarHBondContact O-CG 3.23Å; L164-Q168 PolarHBondContact O-N 2.78Å; K165-Q168 WeakPolarHBondContact O-CB 3.46Å; K165-Q168 PolarHBondContact O-N 3.17Å; Q168-N170 PolarHBondContact O-N 3.03Å; Q168-D171 PolarHBondContact O-N 3.09Å; Q168-Q173 HydrophobicContact CG-CB 3.74Å; Q168-Q173 HydrophobicContact CG-CG 4.14Å
169E98.6Very high98.4Very high115 Ų11575.2 Ų75.254%0.53738%0.378SS..Hα-helixtrans-66.1-16.5178-72.8170.7173.900113.4K165 I166K165-E169 VanDerWaalsContact CE-OE1 3.31Å; K165-E169 WeakPolarHBondContact CE-OE1 3.31Å; K165-E169 IonicContact NZ-OE1 2.71Å; K165-E169 PolarHBondContact NZ-OE1 3.03Å; K165-E169 WeakPolarHBondContact O-CG 3.34Å; K165-E169 PolarHBondContact O-N 3.46Å; I166-E169 PolarHBondContact O-N 3.31Å
170N98.5Very high98.4Very high105 Ų10573.4 Ų73.456%0.56137%0.37SS*.THydrogen-bonded Turntrans-119.816.6-177.7-70.1-91.5000112.7I166 A167 Q168 F172I166-N170 PolarHBondContact O-N 3.41Å; I166-N170 PolarHBondContact O-ND2 3.01Å; A167-N170 CarbonylContact O-C 3.4Å; A167-N170 PolarHBondContact O-N 3.49Å; Q168-N170 PolarHBondContact O-N 3.03Å; N170-F172 VanDerWaalsContact C-N 3.32Å; N170-F172 HydrophobicContact CB-CD1 3.57Å; N170-F172 HydrophobicContact CB-CE1 3.58Å; N170-F172 PolarHBondContact O-N 3.39Å
171D98.1Very high98.4Very high138 Ų13871.9 Ų71.974%0.73836%0.362SS*.THydrogen-bonded Turntrans53.539.5176.1-73-34.3000114.9A167 Q168A167-D171 PolarHBondContact O-N 3Å; Q168-D171 PolarHBondContact O-N 3.09Å
172F98.3Very high98.4Very high73 Ų7366.1 Ų66.132%0.3234%0.335SS..  trans-127.315.717373.4-93.6000114A167 N170 D174 L175 V176A167-F172 VanDerWaalsContact CA-CZ 3.46Å; A167-F172 HydrophobicContact CB-CD1 4.47Å; A167-F172 HydrophobicContact CB-CD2 3.82Å; A167-F172 HydrophobicContact CB-CE1 4.18Å; A167-F172 HydrophobicContact CB-CE2 3.44Å; A167-F172 VanDerWaalsContact CB-CE2 3.44Å; A167-F172 HydrophobicContact CB-CG 4.31Å; A167-F172 HydrophobicContact CB-CZ 3.64Å; A167-F172 PolarHBondContact O-N 3.21Å; N170-F172 VanDerWaalsContact C-N 3.32Å; N170-F172 HydrophobicContact CB-CD1 3.57Å; N170-F172 HydrophobicContact CB-CE1 3.58Å; N170-F172 PolarHBondContact O-N 3.39Å; F172-D174 WeakPolarHBondContact CA-OD1 3.27Å; F172-D174 PolarHBondContact O-N 3.03Å; F172-D174 VanDerWaalsContact O-N 3.14Å; F172-L175 HydrophobicContact CB-CD1 4.47Å; F172-L175 WeakPolarHBondContact O-CB 3.38Å; F172-L175 PolarHBondContact O-N 3.47Å; F172-L175 VanDerWaalsContact O-N 3.08Å; F172-V176 HydrophobicContact CD2-CG2 4Å; F172-V176 HydrophobicContact CE2-CG2 3.97Å
173Q98.2Very high98.4Very high74 Ų7462.2 Ų62.235%0.34632%0.315SS..G310 helixtrans-59.3-22.4178.668.9-72.9-2100114.2A167 Q168 L175 V176A167-Q173 HydrophobicContact CB-CB 4.44Å; A167-Q173 PolarHBondContact O-N 3.46Å; A167-Q173 PolarHBondContact O-OE1 3.17Å; Q168-Q173 HydrophobicContact CG-CB 3.74Å; Q168-Q173 HydrophobicContact CG-CG 4.14Å; Q173-L175 PolarHBondContact O-N 2.87Å; Q173-V176 PolarHBondContact O-N 3.35Å; Q173-V176 VanDerWaalsContact O-N 3.1Å
174D97.9Very high98.3Very high111 Ų11162.1 Ų62.159%0.59431%0.309SS*.G310 helixtrans-65.6-21.3176.462.3-58.2000112.9F172F172-D174 WeakPolarHBondContact CA-OD1 3.27Å; F172-D174 PolarHBondContact O-N 3.03Å; F172-D174 VanDerWaalsContact O-N 3.14Å
175L98.1Very high98.1Very high63 Ų6360.6 Ų60.633%0.3331%0.308SS..G310 helixtrans-89.5-5173.9-55.2-179.9000113.1F118 F172 Q173F118-L175 HydrophobicContact CD2-CB 4.23Å; F118-L175 PolarHBondContact N-O 3.45Å; F172-L175 HydrophobicContact CB-CD1 4.47Å; F172-L175 WeakPolarHBondContact O-CB 3.38Å; F172-L175 PolarHBondContact O-N 3.47Å; F172-L175 VanDerWaalsContact O-N 3.08Å; Q173-L175 PolarHBondContact O-N 2.87Å
176V98.5Very high97.8Very high22 Ų2256.5 Ų56.513%0.13330%0.297CS..EExtended strand (participates in β ladder)trans-108.2121.9-170.7-175.50000111.4F118 L120 L164 A167 F172 Q173F118-V176 HydrophobicContact CB-CG2 4.45Å; L120-V176 HydrophobicContact CD1-CG1 4.01Å; L120-V176 HydrophobicContact CG-CG1 3.96Å; L164-V176 HydrophobicContact CD1-CB 4.34Å; L164-V176 HydrophobicContact CD1-CG1 4.09Å; A167-V176 HydrophobicContact CB-CB 4.49Å; A167-V176 HydrophobicContact CB-CG2 3.66Å; F172-V176 HydrophobicContact CD2-CG2 4Å; F172-V176 HydrophobicContact CE2-CG2 3.97Å; Q173-V176 PolarHBondContact O-N 3.35Å; Q173-V176 VanDerWaalsContact O-N 3.1Å
177H98.6Very high97.5Very high51 Ų5157.3 Ų57.324%0.23631%0.308CS..EExtended strand (participates in β ladder)trans-118.3169.9177.2-56.5-88.8000111.2L113 D117 F118 V119 L120L113-H177 HydrophobicContact CD2-CB 3.94Å; D117-H177 IonicContact OD2-CD2 3.62Å; D117-H177 IonicContact OD2-NE2 3.66Å; D117-H177 PolarHBondContact OD2-NE2 3.13Å; F118-H177 PolarHBondContact O-N 3.05Å; V119-H177 CarbonylContact C-O 3.56Å; V119-H177 WeakPolarHBondContact CA-O 3.45Å; V119-H177 HydrophobicContact CG2-CB 4.36Å; L120-H177 PolarHBondContact N-O 3.33Å
178E98.4Very high97.4Very high117 Ų11762.1 Ų62.155%0.54734%0.337SS..EExtended strand (participates in β ladder)trans-117.6147.7165.555163.9-122.100109.9L120 K122L120-E178 VanDerWaalsContact O-CA 3.3Å; L120-E178 WeakPolarHBondContact O-CA 3.36Å; K122-E178 HydrophobicContact CD-CB 4.37Å; K122-E178 IonicContact NZ-OE1 3.3Å; K122-E178 PolarHBondContact NZ-OE1 2.95Å
179G98.4Very high97.2Very high0 Ų066.6 Ų66.60%035%0.351CS..EExtended strand (participates in β ladder)trans-170167.8-176.600000117L120 I121 K122 D204L120-G179 PolarHBondContact O-N 3.37Å; I121-G179 WeakPolarHBondContact CA-O 3.35Å; K122-G179 PolarHBondContact N-O 3.23Å; G179-D204 WeakPolarHBondContact CA-OD2 3.27Å
180V98.6Very high97.2Very high34 Ų3463.2 Ų63.221%0.20634%0.335CS..EExtended strand (participates in β ladder)trans-91.1127.4175.7179.90000110.2G123 I125 D204 V205G123-V180 WeakPolarHBondContact O-CA 3.49Å; I125-V180 HydrophobicContact CG1-CG1 4.07Å; V180-D204 PolarHBondContact N-OD2 2.9Å; V180-D204 PolarHBondContact O-N 2.63Å; V180-V205 PolarHBondContact O-N 3.01Å
181Y98.5Very high97.1Very high1 Ų160.3 Ų60.30%0.00432%0.323CS..EExtended strand (participates in β ladder)trans-91.6119.1179-169.8-85.6000112.1N104 A106 I121 G123 H124 I125 F183 V205 G207 F209N104-Y181 WeakPolarHBondContact OD1-CE2 3.27Å; A106-Y181 HydrophobicContact CB-CE2 4.09Å; I121-Y181 HydrophobicContact CD1-CD2 4Å; I121-Y181 HydrophobicContact CG1-CD2 4.49Å; G123-Y181 PolarHBondContact O-N 2.7Å; H124-Y181 CarbonylContact C-O 3.52Å; H124-Y181 WeakPolarHBondContact CA-O 3.35Å; H124-Y181 WeakPolarHBondContact CB-O 3.48Å; I125-Y181 PolarHBondContact N-O 2.81Å; Y181-F183 HydrophobicContact CD1-CB 4.39Å; Y181-F183 HydrophobicContact CE1-CB 4.24Å; Y181-F183 HydrophobicContact CE1-CD2 4.49Å; Y181-V205 HydrophobicContact CD2-CG2 3.61Å; Y181-V205 HydrophobicContact CE2-CG2 4.42Å; Y181-V205 HydrophobicContact CG-CG2 4.28Å; Y181-G207 WeakPolarHBondContact OH-CA 3.18Å; Y181-G207 PolarHBondContact OH-N 3.23Å; Y181-G207 PolarHBondContact OH-O 2.77Å; Y181-F209 PolarHBondContact OH-N 3.47Å; Y181-F209 PolarHBondContact OH-O 3.04Å
182A98.5Very high97.1Very high0 Ų058.4 Ų58.40%032%0.318CS..EExtended strand (participates in β ladder)trans-82.7121167.500000110.2F127 N184 L198 C203 V205 V206 G207F127-A182 HydrophobicContact CE2-CB 4.08Å; A182-N184 PolarHBondContact O-N 2.93Å; A182-L198 HydrophobicContact CB-CD1 4.11Å; A182-L198 HydrophobicContact CB-CD2 3.87Å; A182-C203 HydrophobicContact CB-CB 3.97Å; A182-V205 PolarHBondContact N-O 3.04Å; A182-V206 HydrophobicContact CB-CB 4.04Å; A182-V206 HydrophobicContact CB-CG2 3.98Å; A182-V206 WeakPolarHBondContact O-CA 3.49Å; A182-G207 PolarHBondContact O-N 3.32Å; A182-G207 VanDerWaalsContact O-N 3.1Å
183F97.8Very high97.2Very high12 Ų1260.9 Ų60.95%0.05334%0.335CS..EExtended strand (participates in β ladder)trans-89.5103.6175.3179.6-136.6000110.9I125 P128 Y181 K211I125-F183 PolarHBondContact O-N 2.87Å; P128-F183 HydrophobicContact CB-CD1 4.35Å; P128-F183 HydrophobicContact CB-CE1 3.97Å; P128-F183 WeakPolarHBondContact CD-O 3.38Å; P128-F183 HydrophobicContact CG-CD1 3.69Å; P128-F183 HydrophobicContact CG-CE1 3.45Å; P128-F183 VanDerWaalsContact CG-CE1 3.45Å; P128-F183 HydrophobicContact CG-CZ 4.24Å; Y181-F183 HydrophobicContact CD1-CB 4.39Å; Y181-F183 HydrophobicContact CE1-CB 4.24Å; Y181-F183 HydrophobicContact CE1-CD2 4.49Å; F183-K211 HydrophobicContact CD1-CG 4.05Å; F183-K211 HydrophobicContact CE1-CD 3.96Å; F183-K211 HydrophobicContact CE1-CG 3.63Å; F183-K211 HydrophobicContact CE2-CG 4.48Å; F183-K211 HydrophobicContact CZ-CD 4.25Å; F183-K211 HydrophobicContact CZ-CG 3.86Å
184N96.7Very high97.2Very high36 Ų3661.5 Ų61.519%0.19334%0.337CS..  trans-84.3135.8168.8176.110.7000108.9A182 G186 T188 V206 G207 N208A182-N184 PolarHBondContact O-N 2.93Å; N184-G186 VanDerWaalsContact C-N 3.25Å; N184-G186 PolarHBondContact O-N 3.22Å; N184-G186 PolarHBondContact OD1-N 3.1Å; N184-G186 VanDerWaalsContact OD1-N 3.08Å; N184-T188 PolarHBondContact ND2-O 3.33Å; N184-T188 VanDerWaalsContact ND2-O 3.17Å; N184-V206 HydrophobicContact CB-CG2 3.9Å; N184-G207 PolarHBondContact N-O 3.46Å; N184-N208 VanDerWaalsContact CB-OD1 3.31Å; N184-N208 WeakPolarHBondContact CB-OD1 3.44Å; N184-N208 VanDerWaalsContact CG-OD1 3.3Å; N184-N208 PolarHBondContact ND2-OD1 3.22Å; N184-N208 VanDerWaalsContact O-CA 3.3Å; N184-N208 WeakPolarHBondContact O-CA 3.42Å; N184-N208 PolarHBondContact O-OD1 3.25Å
185G94Very high97.2Very high31 Ų3157.7 Ų57.732%0.3232%0.319SS..  trans-66.6-27.7178.300000113.4
186G92.9Very high97.2Very high24 Ų2458.6 Ų58.625%0.24733%0.325CS..  trans68.1-168.5-173.400000113.4N184N184-G186 VanDerWaalsContact C-N 3.25Å; N184-G186 PolarHBondContact O-N 3.22Å; N184-G186 PolarHBondContact OD1-N 3.1Å; N184-G186 VanDerWaalsContact OD1-N 3.08Å
187P92.1Very high97.2Very high94 Ų9461.8 Ų61.861%0.6134%0.339SS*.SBendcis-81.7-10.43.233.8-36.2000113.8Y77Y77-P187 HydrophobicContact CD2-CB 4.27Å; Y77-P187 HydrophobicContact CG-CB 4.22Å
188T95.9Very high97.3Very high101 Ų10159.8 Ų59.862%0.6233%0.33SS*.SBendtrans-64.9141.4176.5530000110.2N184N184-T188 PolarHBondContact ND2-O 3.33Å; N184-T188 VanDerWaalsContact ND2-O 3.17Å
189Y95.4Very high97.3Very high197 Ų19757.1 Ų57.177%0.77332%0.32SS*.PPolyproline II helixtrans-59.9159.8163.5-65.3-70.8000109.9S191Y189-S191 PolarHBondContact O-N 2.81Å
190E97.1Very high97.3Very high44 Ų4465.8 Ų65.821%0.20636%0.357CS..PPolyproline II helixtrans-59.6134.1171.368.4-77.1-170.900110.7E194 S195 V206E190-E194 HydrophobicContact CB-CB 4.28Å; E190-S195 WeakPolarHBondContact CG-OG 3.4Å; E190-V206 HydrophobicContact CG-CG1 3.9Å; E190-V206 VanDerWaalsContact OE1-CG1 3.29Å; E190-V206 WeakPolarHBondContact OE1-CG1 3.19Å
191S98.3Very high97.3Very high44 Ų4468.4 Ų68.431%0.30837%0.369SS..PPolyproline II helixtrans-69.5158.5170.163.60000110.8Y189 D193 E194 S195Y189-S191 PolarHBondContact O-N 2.81Å; S191-D193 PolarHBondContact O-N 3.29Å; S191-D193 VanDerWaalsContact O-N 3.16Å; S191-E194 WeakPolarHBondContact CB-OE2 3.29Å; S191-E194 PolarHBondContact N-OE2 3.23Å; S191-E194 PolarHBondContact O-N 2.94Å; S191-E194 WeakPolarHBondContact OG-CB 3.25Å; S191-E194 WeakPolarHBondContact OG-CG 3.45Å; S191-E194 PolarHBondContact OG-N 2.97Å; S191-E194 PolarHBondContact OG-OE2 2.94Å; S191-S195 PolarHBondContact O-N 2.82Å; S191-S195 PolarHBondContact O-OG 3.05Å
192P98.1Very high97.3Very high98 Ų9870.5 Ų70.564%0.63639%0.391SS*.Hα-helixtrans-53.6-37176.4-28.136000113.8S195 N196P192-S195 PolarHBondContact O-N 2.77Å; P192-N196 PolarHBondContact O-N 3Å; P192-N196 VanDerWaalsContact O-N 3.08Å; P192-N196 PolarHBondContact O-ND2 3.03Å
193D98.7Very high97.3Very high125 Ų12570.6 Ų70.667%0.66839%0.392SS*.Hα-helixtrans-72.9-37.3178.2-65.6-61.4000112.5S191 N196 M197S191-D193 PolarHBondContact O-N 3.29Å; S191-D193 VanDerWaalsContact O-N 3.16Å; D193-N196 WeakPolarHBondContact O-CB 3.38Å; D193-N196 PolarHBondContact O-N 3.17Å; D193-M197 PolarHBondContact O-N 3.08Å
194E98.6Very high97.3Very high86 Ų8671.2 Ų71.240%0.40240%0.396SS..Hα-helixtrans-64.7-42.4171-72.9161.2158.700111E190 S191 N196 M197 L198E190-E194 HydrophobicContact CB-CB 4.28Å; S191-E194 WeakPolarHBondContact CB-OE2 3.29Å; S191-E194 PolarHBondContact N-OE2 3.23Å; S191-E194 PolarHBondContact O-N 2.94Å; S191-E194 WeakPolarHBondContact OG-CB 3.25Å; S191-E194 WeakPolarHBondContact OG-CG 3.45Å; S191-E194 PolarHBondContact OG-N 2.97Å; S191-E194 PolarHBondContact OG-OE2 2.94Å; E194-N196 VanDerWaalsContact C-N 3.3Å; E194-N196 PolarHBondContact O-N 3.16Å; E194-M197 WeakPolarHBondContact O-CB 3.49Å; E194-M197 PolarHBondContact O-N 3.49Å; E194-M197 VanDerWaalsContact O-N 3.11Å; E194-L198 VanDerWaalsContact O-CG 3.27Å; E194-L198 WeakPolarHBondContact O-CG 3.3Å; E194-L198 PolarHBondContact O-N 3.04Å
195S98.5Very high97.4Very high31 Ų3169.8 Ų69.822%0.21739%0.389CS..Hα-helixtrans-56.9-44173.4-51.90000111.6E190 S191 P192 M197 L198 L199E190-S195 WeakPolarHBondContact CG-OG 3.4Å; S191-S195 PolarHBondContact O-N 2.82Å; S191-S195 PolarHBondContact O-OG 3.05Å; P192-S195 PolarHBondContact O-N 2.77Å; S195-M197 VanDerWaalsContact C-N 3.33Å; S195-M197 PolarHBondContact O-N 2.87Å; S195-L198 PolarHBondContact O-N 3Å; S195-L199 PolarHBondContact O-N 3.11Å
196N98.5Very high97.6Very high83 Ų8368.4 Ų68.444%0.44437%0.374SS..Hα-helixtrans-63.2-38.3176.5-75.5-37.3000112.4P192 D193 E194 K200P192-N196 PolarHBondContact O-N 3Å; P192-N196 VanDerWaalsContact O-N 3.08Å; P192-N196 PolarHBondContact O-ND2 3.03Å; D193-N196 WeakPolarHBondContact O-CB 3.38Å; D193-N196 PolarHBondContact O-N 3.17Å; E194-N196 VanDerWaalsContact C-N 3.3Å; E194-N196 PolarHBondContact O-N 3.16Å; N196-K200 WeakPolarHBondContact O-CG 3.27Å; N196-K200 PolarHBondContact O-N 3.17Å
197M98.7Very high97.7Very high89 Ų8967.5 Ų67.544%0.43837%0.365SS..Hα-helixtrans-64.8-48.7174.1177.4-175.867.800111.1D193 E194 S195 L199 K200 L201D193-M197 PolarHBondContact O-N 3.08Å; E194-M197 WeakPolarHBondContact O-CB 3.49Å; E194-M197 PolarHBondContact O-N 3.49Å; E194-M197 VanDerWaalsContact O-N 3.11Å; S195-M197 VanDerWaalsContact C-N 3.33Å; S195-M197 PolarHBondContact O-N 2.87Å; M197-L199 VanDerWaalsContact C-N 3.28Å; M197-L199 PolarHBondContact O-N 2.96Å; M197-K200 WeakPolarHBondContact O-CB 3.48Å; M197-K200 PolarHBondContact O-N 3.06Å; M197-L201 HydrophobicContact CG-CD1 3.95Å; M197-L201 HydrophobicContact CG-CG 4.4Å; M197-L201 WeakPolarHBondContact O-CG 3.46Å; M197-L201 PolarHBondContact O-N 3.39Å
198L98.7Very high97.4Very high9 Ų964.5 Ų64.55%0.04734%0.344CS..Hα-helixtrans-60.6-37.6-179.1-67.7178.2000112.1I109 F127 A182 E194 S195 K200 L201 G202 C203 V206I109-L198 HydrophobicContact CD1-CB 4.31Å; I109-L198 HydrophobicContact CD1-CD1 4.29Å; I109-L198 HydrophobicContact CG1-CB 4.3Å; I109-L198 HydrophobicContact CG2-CB 4.26Å; F127-L198 HydrophobicContact CE2-CD2 3.43Å; F127-L198 VanDerWaalsContact CE2-CD2 3.43Å; F127-L198 HydrophobicContact CZ-CD2 3.48Å; F127-L198 VanDerWaalsContact CZ-CD2 3.48Å; A182-L198 HydrophobicContact CB-CD1 4.11Å; A182-L198 HydrophobicContact CB-CD2 3.87Å; E194-L198 VanDerWaalsContact O-CG 3.27Å; E194-L198 WeakPolarHBondContact O-CG 3.3Å; E194-L198 PolarHBondContact O-N 3.04Å; S195-L198 PolarHBondContact O-N 3Å; L198-K200 VanDerWaalsContact C-N 3.34Å; L198-K200 PolarHBondContact O-N 2.97Å; L198-L201 PolarHBondContact O-N 2.85Å; L198-G202 PolarHBondContact O-N 3.35Å; L198-C203 HydrophobicContact CB-CB 4.1Å; L198-C203 WeakPolarHBondContact O-CB 3.14Å; L198-C203 PolarHBondContact O-N 3.34Å; L198-V206 HydrophobicContact CD1-CB 3.81Å; L198-V206 HydrophobicContact CD1-CG1 4.32Å; L198-V206 HydrophobicContact CD1-CG2 3.58Å
199L98.6Very high96.3Very high61 Ų6160.7 Ų60.732%0.31932%0.319SS..Hα-helixtrans-60.2-43.5173.5-179.362.1000111.7I109 S195 M197 L201 G202I109-L199 VanDerWaalsContact CG2-CA 3.47Å; I109-L199 HydrophobicContact CG2-CB 3.67Å; I109-L199 HydrophobicContact CG2-CD1 4.11Å; I109-L199 HydrophobicContact CG2-CG 4.5Å; S195-L199 PolarHBondContact O-N 3.11Å; M197-L199 VanDerWaalsContact C-N 3.28Å; M197-L199 PolarHBondContact O-N 2.96Å; L199-L201 VanDerWaalsContact C-N 3.3Å; L199-L201 PolarHBondContact O-N 3.47Å; L199-G202 PolarHBondContact O-N 3.34Å
200K98.6Very high94.4Very high182 Ų18251.7 Ų51.779%0.79128%0.284SS*.Hα-helixtrans-68.3-28.6177.9-68.5170.1-177.2173.10112.8N196 M197 L198 G202N196-K200 WeakPolarHBondContact O-CG 3.27Å; N196-K200 PolarHBondContact O-N 3.17Å; M197-K200 WeakPolarHBondContact O-CB 3.48Å; M197-K200 PolarHBondContact O-N 3.06Å; L198-K200 VanDerWaalsContact C-N 3.34Å; L198-K200 PolarHBondContact O-N 2.97Å; K200-G202 PolarHBondContact O-N 3.03Å
201L98.6Very high91.9Very high88 Ų8850.5 Ų50.546%0.46128%0.278SS..THydrogen-bonded Turntrans-81.52176.3-65.9176.7000113.5I125 F127 M197 L198 L199I125-L201 HydrophobicContact CD1-CB 4.42Å; F127-L201 HydrophobicContact CE1-CD1 4.09Å; F127-L201 HydrophobicContact CZ-CD1 3.85Å; M197-L201 HydrophobicContact CG-CD1 3.95Å; M197-L201 HydrophobicContact CG-CG 4.4Å; M197-L201 WeakPolarHBondContact O-CG 3.46Å; M197-L201 PolarHBondContact O-N 3.39Å; L198-L201 PolarHBondContact O-N 2.85Å; L199-L201 VanDerWaalsContact C-N 3.3Å; L199-L201 PolarHBondContact O-N 3.47Å
202G98.5Very high89Confident45 Ų4549 Ų4946%0.46427%0.268SS..THydrogen-bonded Turntrans77.125.817800000114.1L198 L199 K200L198-G202 PolarHBondContact O-N 3.35Å; L199-G202 PolarHBondContact O-N 3.34Å; K200-G202 PolarHBondContact O-N 3.03Å
203C98.7Very high86.3Confident2 Ų247 Ų471%0.01425%0.248CC..  trans-82.7141.4172.4-56.30000110.3I109 A182 L198I109-C203 VanDerWaalsContact CG2-O 3.3Å; I109-C203 WeakPolarHBondContact CG2-O 3.3Å; A182-C203 HydrophobicContact CB-CB 3.97Å; L198-C203 HydrophobicContact CB-CB 4.1Å; L198-C203 WeakPolarHBondContact O-CB 3.14Å; L198-C203 PolarHBondContact O-N 3.34Å
204D98.7Very high83.2Confident25 Ų2545.5 Ų45.513%0.13425%0.247CC..SBendtrans-100.1-36.2177.7-64.8-72.7000112.3I109 N110 L113 G179 V180I109-D204 WeakPolarHBondContact CA-O 3.3Å; I109-D204 WeakPolarHBondContact CB-O 3.47Å; I109-D204 PolarHBondContact N-O 2.89Å; N110-D204 HydrophobicContact CB-CB 4.09Å; N110-D204 PolarHBondContact N-O 3.34Å; N110-D204 PolarHBondContact ND2-OD1 2.74Å; L113-D204 VanDerWaalsContact CD1-O 3.3Å; L113-D204 WeakPolarHBondContact CD1-O 3.4Å; G179-D204 WeakPolarHBondContact CA-OD2 3.27Å; V180-D204 PolarHBondContact N-OD2 2.9Å; V180-D204 PolarHBondContact O-N 2.63Å
205V98.5Very high82.4Confident7 Ų743.5 Ų43.54%0.04224%0.239CC..EExtended strand (participates in β ladder)trans-137.7154.7178.1-66.40000110.4A106 G107 L113 V119 I121 V180 Y181 A182A106-V205 HydrophobicContact CB-CB 4.03Å; G107-V205 CarbonylContact O-C 3.21Å; G107-V205 VanDerWaalsContact O-CA 3.25Å; G107-V205 WeakPolarHBondContact O-CA 3.4Å; L113-V205 HydrophobicContact CD1-CG1 3.54Å; V119-V205 HydrophobicContact CB-CG1 4.21Å; V119-V205 HydrophobicContact CG1-CG1 4.33Å; V119-V205 HydrophobicContact CG2-CG1 3.7Å; I121-V205 HydrophobicContact CD1-CG2 3.91Å; V180-V205 PolarHBondContact O-N 3.01Å; Y181-V205 HydrophobicContact CD2-CG2 3.61Å; Y181-V205 HydrophobicContact CE2-CG2 4.42Å; Y181-V205 HydrophobicContact CG-CG2 4.28Å; A182-V205 PolarHBondContact N-O 3.04Å
206V98.1Very high81.6Confident1 Ų144.1 Ų44.11%0.00624%0.24CC..EExtended strand (participates in β ladder)trans-130.1143.6175.761.60000110.4A106 G107 I109 A182 N184 E190 L198A106-V206 CarbonylContact C-O 3.49Å; A106-V206 VanDerWaalsContact CA-O 3.25Å; A106-V206 WeakPolarHBondContact CA-O 3.42Å; A106-V206 VanDerWaalsContact CB-O 3.27Å; A106-V206 WeakPolarHBondContact CB-O 3.3Å; G107-V206 PolarHBondContact N-O 2.95Å; G107-V206 PolarHBondContact O-N 3.1Å; I109-V206 HydrophobicContact CD1-CB 4.39Å; I109-V206 HydrophobicContact CD1-CG1 3.76Å; I109-V206 HydrophobicContact CG1-CB 4.18Å; I109-V206 HydrophobicContact CG1-CG1 3.95Å; A182-V206 HydrophobicContact CB-CB 4.04Å; A182-V206 HydrophobicContact CB-CG2 3.98Å; A182-V206 WeakPolarHBondContact O-CA 3.49Å; N184-V206 HydrophobicContact CB-CG2 3.9Å; E190-V206 HydrophobicContact CG-CG1 3.9Å; E190-V206 VanDerWaalsContact OE1-CG1 3.29Å; E190-V206 WeakPolarHBondContact OE1-CG1 3.19Å; L198-V206 HydrophobicContact CD1-CB 3.81Å; L198-V206 HydrophobicContact CD1-CG1 4.32Å; L198-V206 HydrophobicContact CD1-CG2 3.58Å
207G94.6Very high80.7Confident6 Ų641.9 Ų41.96%0.06223%0.229CC..EExtended strand (participates in β ladder)trans-167.4176.9166.800000113.5Y181 A182 N184 F209Y181-G207 WeakPolarHBondContact OH-CA 3.18Å; Y181-G207 PolarHBondContact OH-N 3.23Å; Y181-G207 PolarHBondContact OH-O 2.77Å; A182-G207 PolarHBondContact O-N 3.32Å; A182-G207 VanDerWaalsContact O-N 3.1Å; N184-G207 PolarHBondContact N-O 3.46Å; G207-F209 VanDerWaalsContact C-N 3.3Å
208N85.5Confident79.6Confident31 Ų3139.2 Ų39.217%0.16622%0.217CC..SBendtrans-94.47.3-172.1-59.4-14.1000112.6Y77 N184Y77-N208 HydrophobicContact CD1-CB 4.24Å; Y77-N208 HydrophobicContact CE1-CB 4.24Å; N184-N208 VanDerWaalsContact CB-OD1 3.31Å; N184-N208 WeakPolarHBondContact CB-OD1 3.44Å; N184-N208 VanDerWaalsContact CG-OD1 3.3Å; N184-N208 PolarHBondContact ND2-OD1 3.22Å; N184-N208 VanDerWaalsContact O-CA 3.3Å; N184-N208 WeakPolarHBondContact O-CA 3.42Å; N184-N208 PolarHBondContact O-OD1 3.25Å
209F72.6Confident78.4Confident21 Ų2141.1 Ų41.19%0.09223%0.227CC..  trans-160.1107.8179.8-174-89000111.3I19 R73 H75 I102 N104 Y181 G207 Y213I19-F209 HydrophobicContact CG2-CE1 4.15Å; I19-F209 HydrophobicContact CG2-CZ 3.98Å; R73-F209 HydrophobicContact CB-CE2 4.12Å; R73-F209 HydrophobicContact CB-CZ 4.16Å; R73-F209 HydrophobicContact CG-CE1 4.42Å; R73-F209 HydrophobicContact CG-CE2 4.49Å; R73-F209 HydrophobicContact CG-CZ 4.09Å; H75-F209 AromaticContact CD2-CD2 3.54Å; H75-F209 AromaticContact CD2-CG 3.98Å; I102-F209 HydrophobicContact CG2-CE1 4.18Å; N104-F209 HydrophobicContact CB-CD1 4.37Å; N104-F209 WeakPolarHBondContact CB-O 3.35Å; Y181-F209 PolarHBondContact OH-N 3.47Å; Y181-F209 PolarHBondContact OH-O 3.04Å; G207-F209 VanDerWaalsContact C-N 3.3Å; F209-Y213 HydrophobicContact CZ-CE2 4.46Å; F209-Y213 WeakPolarHBondContact CZ-OH 3.42Å
210T55.9Low77Confident8 Ų839.7 Ų39.75%0.04922%0.221CC..  trans-175.591.6138.5-69.10000104.1I102 N104I102-T210 HydrophobicContact CG2-CG2 4.41Å; N104-T210 PolarHBondContact ND2-OG1 2.74Å
211K45.5Very low75.5Confident18 Ų1829.6 Ų29.68%0.07818%0.181CC..  trans-82.6154.2172.9-84.4-163.6164-163.40109.7M76 N133 V135 F183 Y213M76-K211 HydrophobicContact SD-CD 3.79Å; M76-K211 WeakPolarHBondContact SD-CE 3.45Å; M76-K211 PolarHBondContact SD-NZ 3.14Å; N133-K211 PolarHBondContact O-NZ 2.71Å; V135-K211 HydrophobicContact CB-CD 4.02Å; F183-K211 HydrophobicContact CD1-CG 4.05Å; F183-K211 HydrophobicContact CE1-CD 3.96Å; F183-K211 HydrophobicContact CE1-CG 3.63Å; F183-K211 HydrophobicContact CE2-CG 4.48Å; F183-K211 HydrophobicContact CZ-CD 4.25Å; F183-K211 HydrophobicContact CZ-CG 3.86Å; K211-Y213 PolarHBondContact O-N 3.37Å
212S37Very low73.7Confident14 Ų1425.1 Ų25.110%0.09816%0.159CC..  trans-57.498.6161.626.20000109.8S214S212-S214 PolarHBondContact O-N 3.46Å; S212-S214 VanDerWaalsContact O-N 3.08Å
213Y40.2Very low71.7Confident56 Ų5623.4 Ų23.422%0.2213%0.134CC..  trans-76.669.9158.3-63.1-63.8000108.2I19 I89 L100 I102 F209 K211I19-Y213 HydrophobicContact CD1-CD2 4.39Å; I19-Y213 HydrophobicContact CD1-CE2 3.65Å; I89-Y213 HydrophobicContact CB-CD1 4.23Å; I89-Y213 HydrophobicContact CD1-CD1 3.44Å; I89-Y213 VanDerWaalsContact CD1-CD1 3.44Å; I89-Y213 HydrophobicContact CD1-CD2 4.32Å; I89-Y213 HydrophobicContact CD1-CE1 3.35Å; I89-Y213 HydrophobicContact CD1-CE2 4.28Å; I89-Y213 HydrophobicContact CD1-CG 3.88Å; I89-Y213 HydrophobicContact CG1-CD1 3.3Å; I89-Y213 HydrophobicContact CG1-CE1 3.38Å; I89-Y213 HydrophobicContact CG1-CG 4.12Å; I89-Y213 HydrophobicContact CG2-CD1 4.17Å; I89-Y213 HydrophobicContact CG2-CG 4.38Å; L100-Y213 HydrophobicContact CD2-CD2 3.6Å; L100-Y213 HydrophobicContact CD2-CE2 4.36Å; L100-Y213 HydrophobicContact CD2-CG 3.82Å; I102-Y213 HydrophobicContact CD1-CD2 3.45Å; I102-Y213 VanDerWaalsContact CD1-CD2 3.45Å; I102-Y213 HydrophobicContact CD1-CE2 3.77Å; I102-Y213 HydrophobicContact CG1-CD2 4.46Å; I102-Y213 HydrophobicContact CG1-CE2 4.46Å; F209-Y213 HydrophobicContact CZ-CE2 4.46Å; F209-Y213 WeakPolarHBondContact CZ-OH 3.42Å; K211-Y213 PolarHBondContact O-N 3.37Å
214S34.6Very low69.2Low92 Ų9225.4 Ų25.464%0.64315%0.145SC*.  trans-101.50170.658.90000109.4S212S212-S214 PolarHBondContact O-N 3.46Å; S212-S214 VanDerWaalsContact O-N 3.08Å

Retrieved 214 of 214 residues in 216.9 ms (Link to these results)

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