A0A077YZF5_TRITR Loading...

DNA-directed RNA polymerase

AlphaFold DB , UniProt , Accession A0A077YZF5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 359 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
1M44.4Very low83.4Confident242 Ų24287.1 Ų87.1100%1.19248%0.479SS*.  0105.10-81.5178-175.800106.4C3M1-C3 PolarHBondContact O-N 3Å; M1-C3 VanDerWaalsContact O-N 3.13Å
2D61.4Low84.5Confident171 Ų17180.1 Ų80.191%0.91444%0.441SS*.  trans-67.1112.2170.2-76-34.7000107.8N4D2-N4 PolarHBondContact O-N 3.43Å
3C66.6Low85.4Confident100 Ų10073.9 Ų73.968%0.67641%0.407SS*.  trans-68104179-172.20000108M1 I5M1-C3 PolarHBondContact O-N 3Å; M1-C3 VanDerWaalsContact O-N 3.13Å; C3-I5 VanDerWaalsContact C-N 3.26Å; C3-I5 HydrophobicContact CB-CG1 4.37Å; C3-I5 PolarHBondContact O-N 3.33Å
4N84.4Confident86.2Confident91 Ų9169.8 Ų69.849%0.48738%0.384SS..  trans-78.381.6173.6-172.5-8.4000109.5D2 A6 A7D2-N4 PolarHBondContact O-N 3.43Å; N4-A6 PolarHBondContact O-N 2.89Å; N4-A6 PolarHBondContact OD1-N 3.15Å; N4-A7 HydrophobicContact CB-CB 4.03Å; N4-A7 WeakPolarHBondContact O-CB 3.42Å; N4-A7 PolarHBondContact O-N 2.96Å; N4-A7 PolarHBondContact OD1-N 3.49Å; N4-A7 VanDerWaalsContact OD1-N 3.14Å
5I89.4Confident86.7Confident133 Ų13371.4 Ų71.468%0.68239%0.392SS*.THydrogen-bonded Turntrans-61.4-27.8-178.2-58.3169.1000111.2C3 A7 P8C3-I5 VanDerWaalsContact C-N 3.26Å; C3-I5 HydrophobicContact CB-CG1 4.37Å; C3-I5 PolarHBondContact O-N 3.33Å; I5-A7 VanDerWaalsContact C-N 3.33Å; I5-P8 WeakPolarHBondContact O-CD 3.46Å
6A93.1Very high87.2Confident10 Ų1067.3 Ų67.38%0.08337%0.369CS..THydrogen-bonded Turntrans-81.9-6.9177.300000113.7N4 H9 L10 F134N4-A6 PolarHBondContact O-N 2.89Å; N4-A6 PolarHBondContact OD1-N 3.15Å; A6-H9 WeakPolarHBondContact O-CB 3.43Å; A6-H9 PolarHBondContact O-N 2.92Å; A6-H9 VanDerWaalsContact O-N 3.08Å; A6-L10 HydrophobicContact CB-CD1 4.1Å; A6-L10 HydrophobicContact CB-CG 4.36Å; A6-L10 PolarHBondContact O-N 3.12Å; A6-F134 HydrophobicContact CB-CB 4.31Å
7A93.9Very high87.6Confident21 Ų2164.6 Ų64.617%0.17435%0.354CS..Hα-helixtrans-55.5-43-175.900000113.9N4 I5 H9 L10 N11N4-A7 HydrophobicContact CB-CB 4.03Å; N4-A7 WeakPolarHBondContact O-CB 3.42Å; N4-A7 PolarHBondContact O-N 2.96Å; N4-A7 PolarHBondContact OD1-N 3.49Å; N4-A7 VanDerWaalsContact OD1-N 3.14Å; I5-A7 VanDerWaalsContact C-N 3.33Å; A7-H9 VanDerWaalsContact C-N 3.29Å; A7-H9 PolarHBondContact O-N 3.1Å; A7-L10 PolarHBondContact O-N 3.12Å; A7-N11 WeakPolarHBondContact O-CB 3.32Å; A7-N11 PolarHBondContact O-N 3.43Å; A7-N11 PolarHBondContact O-ND2 3.46Å
8P95Very high87.8Confident54 Ų5466.7 Ų66.735%0.35136%0.361SS..Hα-helixtrans-59.7-39.5177.1-24.135.6000112.6I5 S12 L344I5-P8 WeakPolarHBondContact O-CD 3.46Å; P8-S12 WeakPolarHBondContact O-CB 3.43Å; P8-S12 PolarHBondContact O-N 2.88Å; P8-S12 VanDerWaalsContact O-N 3.11Å; P8-S12 PolarHBondContact O-OG 2.93Å; P8-S12 VanDerWaalsContact O-OG 3.04Å; P8-L344 HydrophobicContact CB-CD2 4.17Å
9H97Very high88Confident25 Ų2563.7 Ų63.712%0.11635%0.347CS..Hα-helixtrans-67.9-54.2177.6-66.763.9000111A6 A7 S12 F13 M108 G136 V147A6-H9 WeakPolarHBondContact O-CB 3.43Å; A6-H9 PolarHBondContact O-N 2.92Å; A6-H9 VanDerWaalsContact O-N 3.08Å; A7-H9 VanDerWaalsContact C-N 3.29Å; A7-H9 PolarHBondContact O-N 3.1Å; H9-S12 PolarHBondContact O-N 3.3Å; H9-S12 PolarHBondContact O-OG 2.74Å; H9-F13 WeakPolarHBondContact O-CB 3.27Å; H9-F13 PolarHBondContact O-N 3.36Å; H9-M108 HydrophobicContact CB-CE 4.12Å; H9-M108 HydrophobicContact CB-SD 4.03Å; H9-G136 PolarHBondContact CD2-O 3.03Å; H9-V147 PolarHBondContact NE2-O 2.88Å
10L96.4Very high88.2Confident18 Ų1860.8 Ų60.89%0.09433%0.331CS..Hα-helixtrans-61.9-48.5-177.4-69.6173.5000112.2A6 A7 S12 F13 N14 M108 V109 R110A6-L10 HydrophobicContact CB-CD1 4.1Å; A6-L10 HydrophobicContact CB-CG 4.36Å; A6-L10 PolarHBondContact O-N 3.12Å; A7-L10 PolarHBondContact O-N 3.12Å; L10-S12 VanDerWaalsContact C-N 3.34Å; L10-S12 PolarHBondContact O-N 2.97Å; L10-F13 PolarHBondContact O-N 3.32Å; L10-N14 WeakPolarHBondContact O-CB 3.23Å; L10-N14 VanDerWaalsContact O-CG 3.23Å; L10-N14 PolarHBondContact O-N 3.38Å; L10-N14 PolarHBondContact O-ND2 3.26Å; L10-M108 HydrophobicContact CD2-CG 4.33Å; L10-M108 HydrophobicContact CD2-SD 4.12Å; L10-V109 WeakPolarHBondContact CD2-O 3.27Å; L10-R110 HydrophobicContact CD2-CB 4.07Å
11N96.1Very high88.3Confident93 Ų9361 Ų6150%0.49734%0.335SS..Hα-helixtrans-63.3-43.6179.5-66.8-17.1000110.5A7 F13 N14 N15A7-N11 WeakPolarHBondContact O-CB 3.32Å; A7-N11 PolarHBondContact O-N 3.43Å; A7-N11 PolarHBondContact O-ND2 3.46Å; N11-F13 VanDerWaalsContact C-N 3.35Å; N11-F13 PolarHBondContact O-N 2.84Å; N11-N14 PolarHBondContact O-N 3.02Å; N11-N15 VanDerWaalsContact O-CG 3.23Å; N11-N15 PolarHBondContact O-N 3.22Å; N11-N15 PolarHBondContact O-OD1 3.5Å
12S95.8Very high90.3Very high3 Ų354.3 Ų54.32%0.02130%0.3CS..Hα-helixtrans-63.2-40.8177.275.60000112.3P8 H9 L10 N15 F16 L344 P345 G346P8-S12 WeakPolarHBondContact O-CB 3.43Å; P8-S12 PolarHBondContact O-N 2.88Å; P8-S12 VanDerWaalsContact O-N 3.11Å; P8-S12 PolarHBondContact O-OG 2.93Å; P8-S12 VanDerWaalsContact O-OG 3.04Å; H9-S12 PolarHBondContact O-N 3.3Å; H9-S12 PolarHBondContact O-OG 2.74Å; L10-S12 VanDerWaalsContact C-N 3.34Å; L10-S12 PolarHBondContact O-N 2.97Å; S12-N15 PolarHBondContact O-N 2.71Å; S12-F16 PolarHBondContact O-N 2.75Å; S12-L344 VanDerWaalsContact CB-CB 3.43Å; S12-P345 WeakPolarHBondContact OG-CD 3.48Å; S12-G346 WeakPolarHBondContact O-CA 3.44Å; S12-G346 PolarHBondContact OG-N 2.93Å
13F97Very high91.5Very high0 Ų046.1 Ų46.10%026%0.256CS..Hα-helixtrans-69-36.9179.1-171-91.8000112H9 L10 N11 F16 L17 I107 M108 S111 F138 L349H9-F13 WeakPolarHBondContact O-CB 3.27Å; H9-F13 PolarHBondContact O-N 3.36Å; L10-F13 PolarHBondContact O-N 3.32Å; N11-F13 VanDerWaalsContact C-N 3.35Å; N11-F13 PolarHBondContact O-N 2.84Å; F13-F16 AromaticContact CD2-CD1 3.94Å; F13-F16 HydrophobicContact CD2-CD1 3.94Å; F13-F16 AromaticContact CE2-CD1 3.76Å; F13-F16 HydrophobicContact CE2-CD1 3.76Å; F13-F16 AromaticContact CE2-CE1 3.89Å; F13-F16 HydrophobicContact CE2-CE1 3.89Å; F13-F16 HydrophobicContact CG-CD1 4.42Å; F13-F16 HydrophobicContact CZ-CD1 4.12Å; F13-F16 HydrophobicContact CZ-CE1 4.11Å; F13-F16 VanDerWaalsContact O-CB 3.29Å; F13-F16 WeakPolarHBondContact O-CB 3.32Å; F13-F16 PolarHBondContact O-N 3.03Å; F13-L17 HydrophobicContact CD1-CD1 3.85Å; F13-L17 HydrophobicContact CD1-CG 4.11Å; F13-L17 HydrophobicContact CE1-CD1 3.67Å; F13-L17 HydrophobicContact CE1-CD2 4.05Å; F13-L17 HydrophobicContact CE1-CG 3.85Å; F13-L17 HydrophobicContact CZ-CD2 4.36Å; F13-L17 WeakPolarHBondContact O-CG 3.32Å; F13-L17 PolarHBondContact O-N 3.29Å; F13-I107 HydrophobicContact CZ-CD1 4.43Å; F13-M108 HydrophobicContact CB-CB 4.19Å; F13-M108 HydrophobicContact CB-CE 3.86Å; F13-M108 HydrophobicContact CB-SD 3.56Å; F13-M108 VanDerWaalsContact CB-SD 3.56Å; F13-M108 HydrophobicContact CD1-CB 3.67Å; F13-M108 HydrophobicContact CD2-CB 3.8Å; F13-M108 HydrophobicContact CD2-CE 4.1Å; F13-M108 HydrophobicContact CD2-SD 4.5Å; F13-M108 HydrophobicContact CE1-CB 3.91Å; F13-M108 HydrophobicContact CE2-CB 4.06Å; F13-M108 HydrophobicContact CG-CB 3.59Å; F13-M108 HydrophobicContact CG-CE 4.2Å; F13-M108 HydrophobicContact CG-CG 4.43Å; F13-M108 HydrophobicContact CG-SD 4.04Å; F13-M108 HydrophobicContact CZ-CB 4.1Å; F13-S111 VanDerWaalsContact CD1-CB 3.42Å; F13-S111 WeakPolarHBondContact CD1-OG 3.07Å; F13-S111 WeakPolarHBondContact CE1-OG 3.28Å; F13-F138 HydrophobicContact CD2-CE1 4.03Å; F13-F138 AromaticContact CD2-CZ 3.7Å; F13-F138 HydrophobicContact CD2-CZ 3.7Å; F13-F138 AromaticContact CE2-CE1 3.52Å; F13-F138 HydrophobicContact CE2-CE1 3.52Å; F13-F138 AromaticContact CE2-CZ 3.64Å; F13-F138 HydrophobicContact CE2-CZ 3.64Å; F13-F138 HydrophobicContact CZ-CE1 4.15Å; F13-L349 HydrophobicContact CD2-CD1 3.75Å; F13-L349 HydrophobicContact CE2-CD1 3.76Å
14N96.4Very high92.5Very high16 Ų1641.6 Ų41.69%0.08623%0.225CC..Hα-helixtrans-63.8-42.6172.7-69.7-24000111.2L10 N11 F16 L17 E18 R112L10-N14 WeakPolarHBondContact O-CB 3.23Å; L10-N14 VanDerWaalsContact O-CG 3.23Å; L10-N14 PolarHBondContact O-N 3.38Å; L10-N14 PolarHBondContact O-ND2 3.26Å; N11-N14 PolarHBondContact O-N 3.02Å; N14-F16 VanDerWaalsContact C-N 3.29Å; N14-F16 PolarHBondContact O-N 2.74Å; N14-L17 WeakPolarHBondContact O-CB 3.32Å; N14-L17 PolarHBondContact O-N 3.34Å; N14-E18 WeakPolarHBondContact O-CG 3.4Å; N14-E18 PolarHBondContact O-N 2.82Å; N14-E18 VanDerWaalsContact O-N 3.08Å; N14-R112 HydrophobicContact CB-CG 4.46Å; N14-R112 WeakPolarHBondContact OD1-CB 3.09Å; N14-R112 WeakPolarHBondContact OD1-CG 3.33Å; N14-R112 PolarHBondContact OD1-N 2.78Å
15N94.3Very high92.5Very high94 Ų9441.4 Ų41.450%0.50323%0.231SC..Hα-helixtrans-63.7-35.1173.1-67.2-2.8000112N11 S12 E18 G19N11-N15 VanDerWaalsContact O-CG 3.23Å; N11-N15 PolarHBondContact O-N 3.22Å; N11-N15 PolarHBondContact O-OD1 3.5Å; S12-N15 PolarHBondContact O-N 2.71Å; N15-E18 PolarHBondContact O-N 2.88Å; N15-G19 PolarHBondContact O-N 3.1Å
16F94.2Very high92.1Very high5 Ų538.9 Ų38.92%0.02222%0.216CC..Hα-helixtrans-58.6-50.6171.7155.8-104.9000111.1S12 F13 N14 E18 G19 I20 V105 G346 L349 L350 L353S12-F16 PolarHBondContact O-N 2.75Å; F13-F16 AromaticContact CD2-CD1 3.94Å; F13-F16 HydrophobicContact CD2-CD1 3.94Å; F13-F16 AromaticContact CE2-CD1 3.76Å; F13-F16 HydrophobicContact CE2-CD1 3.76Å; F13-F16 AromaticContact CE2-CE1 3.89Å; F13-F16 HydrophobicContact CE2-CE1 3.89Å; F13-F16 HydrophobicContact CG-CD1 4.42Å; F13-F16 HydrophobicContact CZ-CD1 4.12Å; F13-F16 HydrophobicContact CZ-CE1 4.11Å; F13-F16 VanDerWaalsContact O-CB 3.29Å; F13-F16 WeakPolarHBondContact O-CB 3.32Å; F13-F16 PolarHBondContact O-N 3.03Å; N14-F16 VanDerWaalsContact C-N 3.29Å; N14-F16 PolarHBondContact O-N 2.74Å; F16-E18 VanDerWaalsContact C-N 3.29Å; F16-E18 PolarHBondContact O-N 2.67Å; F16-G19 WeakPolarHBondContact O-CA 3.37Å; F16-G19 PolarHBondContact O-N 3.25Å; F16-I20 HydrophobicContact CD2-CG1 4.48Å; F16-I20 HydrophobicContact CE1-CD1 4.15Å; F16-I20 HydrophobicContact CE2-CD1 4.26Å; F16-I20 HydrophobicContact CE2-CG1 4.14Å; F16-I20 HydrophobicContact CZ-CD1 3.88Å; F16-I20 HydrophobicContact CZ-CG1 4.27Å; F16-I20 WeakPolarHBondContact O-CG1 3.41Å; F16-I20 PolarHBondContact O-N 2.94Å; F16-I20 VanDerWaalsContact O-N 3.14Å; F16-V105 HydrophobicContact CE1-CG1 4Å; F16-V105 HydrophobicContact CZ-CG1 4.05Å; F16-G346 WeakPolarHBondContact CB-O 3.48Å; F16-L349 HydrophobicContact CD2-CB 3.84Å; F16-L349 HydrophobicContact CE2-CB 3.83Å; F16-L349 HydrophobicContact CG-CB 4.24Å; F16-L349 HydrophobicContact CZ-CB 4.22Å; F16-L350 HydrophobicContact CD2-CB 3.89Å; F16-L350 HydrophobicContact CD2-CD1 3.97Å; F16-L350 HydrophobicContact CE2-CD1 4.32Å; F16-L353 HydrophobicContact CE2-CB 4.34Å; F16-L353 HydrophobicContact CE2-CD2 3.86Å; F16-L353 HydrophobicContact CZ-CD2 4.14Å
17L94.3Very high91.7Very high23 Ų2339.8 Ų39.812%0.1222%0.22CC..Hα-helixtrans-58.9-40.6179.3-68.1168.5000112.1F13 N14 G19 I20 V49 R112 R113F13-L17 HydrophobicContact CD1-CD1 3.85Å; F13-L17 HydrophobicContact CD1-CG 4.11Å; F13-L17 HydrophobicContact CE1-CD1 3.67Å; F13-L17 HydrophobicContact CE1-CD2 4.05Å; F13-L17 HydrophobicContact CE1-CG 3.85Å; F13-L17 HydrophobicContact CZ-CD2 4.36Å; F13-L17 WeakPolarHBondContact O-CG 3.32Å; F13-L17 PolarHBondContact O-N 3.29Å; N14-L17 WeakPolarHBondContact O-CB 3.32Å; N14-L17 PolarHBondContact O-N 3.34Å; L17-G19 VanDerWaalsContact C-N 3.32Å; L17-I20 HydrophobicContact CD2-CD1 4.46Å; L17-V49 HydrophobicContact CD2-CB 4.2Å; L17-V49 HydrophobicContact CD2-CG1 4.04Å; L17-V49 HydrophobicContact CD2-CG2 4.23Å; L17-R112 HydrophobicContact CD1-CB 4.26Å; L17-R113 HydrophobicContact CD1-CB 4.13Å; L17-R113 HydrophobicContact CD1-CG 3.57Å; L17-R113 HydrophobicContact CD2-CG 3.91Å; L17-R113 HydrophobicContact CG-CG 4.34Å
18E91.6Very high91.2Very high102 Ų10243.9 Ų43.948%0.47723%0.231SC..Hα-helixtrans-71.4-26.4175-68.3177.9178.400113.2N14 N15 F16 P21 R112N14-E18 WeakPolarHBondContact O-CG 3.4Å; N14-E18 PolarHBondContact O-N 2.82Å; N14-E18 VanDerWaalsContact O-N 3.08Å; N15-E18 PolarHBondContact O-N 2.88Å; F16-E18 VanDerWaalsContact C-N 3.29Å; F16-E18 PolarHBondContact O-N 2.67Å; E18-P21 WeakPolarHBondContact O-CD 3.38Å; E18-R112 IonicContact OE1-CZ 3.57Å; E18-R112 VanDerWaalsContact OE1-CZ 3.32Å; E18-R112 IonicContact OE1-NH1 3.39Å; E18-R112 PolarHBondContact OE1-NH1 3.33Å; E18-R112 IonicContact OE1-NH2 2.83Å
19G90.4Very high90.8Very high10 Ų1044.1 Ų44.110%0.10323%0.233CC..Hα-helixtrans-81.7-17.5-179.700000114.5N15 F16 L17 K22 A23N15-G19 PolarHBondContact O-N 3.1Å; F16-G19 WeakPolarHBondContact O-CA 3.37Å; F16-G19 PolarHBondContact O-N 3.25Å; L17-G19 VanDerWaalsContact C-N 3.32Å; G19-K22 WeakPolarHBondContact O-CB 3.39Å; G19-K22 PolarHBondContact O-N 2.99Å; G19-K22 VanDerWaalsContact O-N 3.09Å; G19-A23 PolarHBondContact O-N 2.99Å
20I92Very high90.2Very high4 Ų450 Ų502%0.02125%0.254CS..Hα-helixtrans-56.2-45.7-178.3-58.2176.2000112.4F16 L17 K22 A23 V24 P47 V49 L82 L350 L353 F357F16-I20 HydrophobicContact CD2-CG1 4.48Å; F16-I20 HydrophobicContact CE1-CD1 4.15Å; F16-I20 HydrophobicContact CE2-CD1 4.26Å; F16-I20 HydrophobicContact CE2-CG1 4.14Å; F16-I20 HydrophobicContact CZ-CD1 3.88Å; F16-I20 HydrophobicContact CZ-CG1 4.27Å; F16-I20 WeakPolarHBondContact O-CG1 3.41Å; F16-I20 PolarHBondContact O-N 2.94Å; F16-I20 VanDerWaalsContact O-N 3.14Å; L17-I20 HydrophobicContact CD2-CD1 4.46Å; I20-K22 VanDerWaalsContact C-N 3.32Å; I20-K22 PolarHBondContact O-N 3.28Å; I20-A23 PolarHBondContact O-N 2.99Å; I20-V24 HydrophobicContact CG2-CG2 4.44Å; I20-V24 PolarHBondContact O-N 3.28Å; I20-P47 HydrophobicContact CG2-CB 3.57Å; I20-P47 HydrophobicContact CG2-CG 3.77Å; I20-V49 HydrophobicContact CD1-CG2 3.38Å; I20-L82 HydrophobicContact CG2-CD1 4.09Å; I20-L350 HydrophobicContact CG1-CD1 4.49Å; I20-L353 HydrophobicContact CB-CD2 4.38Å; I20-L353 HydrophobicContact CD1-CD2 4.04Å; I20-L353 HydrophobicContact CG1-CD2 3.78Å; I20-L353 HydrophobicContact CG2-CD2 3.87Å; I20-F357 HydrophobicContact CG2-CE2 4.34Å; I20-F357 HydrophobicContact CG2-CZ 4.08Å
21P90.5Very high89.7Confident65 Ų6552 Ų5242%0.42227%0.267SS..Hα-helixtrans-56-42.8174.8-26.235.7000113.6E18 V24 S25 P47E18-P21 WeakPolarHBondContact O-CD 3.38Å; P21-V24 PolarHBondContact O-N 3.48Å; P21-S25 PolarHBondContact O-N 2.74Å; P21-S25 PolarHBondContact O-OG 3.43Å; P21-P47 HydrophobicContact CB-CG 4.24Å; P21-P47 HydrophobicContact CG-CG 4.15Å
22K86Confident89.3Confident102 Ų10252.8 Ų52.844%0.44327%0.27SS..Hα-helixtrans-65.4-40.8176.8-67.2-171.1173.5-167.90111.8G19 I20 V24 S25 H26 D185G19-K22 WeakPolarHBondContact O-CB 3.39Å; G19-K22 PolarHBondContact O-N 2.99Å; G19-K22 VanDerWaalsContact O-N 3.09Å; I20-K22 VanDerWaalsContact C-N 3.32Å; I20-K22 PolarHBondContact O-N 3.28Å; K22-V24 PolarHBondContact O-N 3.46Å; K22-S25 WeakPolarHBondContact CA-OG 3.42Å; K22-S25 PolarHBondContact O-N 2.95Å; K22-S25 PolarHBondContact O-OG 3.33Å; K22-H26 PolarHBondContact O-N 2.96Å; K22-H26 PolarHBondContact O-ND1 3.43Å; K22-D185 IonicContact NZ-OD2 3.28Å; K22-D185 PolarHBondContact NZ-OD2 3.02Å
23A86.2Confident88.8Confident0 Ų056 Ų560%029%0.285CS..Hα-helixtrans-62.6-42.6176.800000111.6G19 I20 H26 L350G19-A23 PolarHBondContact O-N 2.99Å; I20-A23 PolarHBondContact O-N 2.99Å; A23-H26 PolarHBondContact O-N 3.22Å; A23-L350 HydrophobicContact CB-CD1 3.75Å; A23-L350 HydrophobicContact CB-CG 4.36Å
24V88.3Confident88.3Confident5 Ų561 Ų613%0.0331%0.31CS..Hα-helixtrans-65.8-39176.5173.10000111.8I20 P21 K22 H26 V27 I44 P47 F357I20-V24 HydrophobicContact CG2-CG2 4.44Å; I20-V24 PolarHBondContact O-N 3.28Å; P21-V24 PolarHBondContact O-N 3.48Å; K22-V24 PolarHBondContact O-N 3.46Å; V24-H26 PolarHBondContact O-N 3.34Å; V24-V27 WeakPolarHBondContact O-CB 3.35Å; V24-V27 PolarHBondContact O-N 3.44Å; V24-I44 HydrophobicContact CG1-CB 4.36Å; V24-I44 HydrophobicContact CG1-CG2 4.05Å; V24-I44 WeakPolarHBondContact CG1-O 3.5Å; V24-P47 HydrophobicContact CB-CG 4.02Å; V24-P47 HydrophobicContact CG2-CB 3.9Å; V24-P47 HydrophobicContact CG2-CG 3.67Å; V24-F357 HydrophobicContact CG2-CD1 4.43Å; V24-F357 HydrophobicContact CG2-CD2 3.97Å; V24-F357 HydrophobicContact CG2-CE1 3.88Å; V24-F357 HydrophobicContact CG2-CE2 3.37Å; V24-F357 HydrophobicContact CG2-CG 4.48Å; V24-F357 HydrophobicContact CG2-CZ 3.31Å
25S85.5Confident87.9Confident86 Ų8663.1 Ų63.160%0.60133%0.326SS*.Hα-helixtrans-64.5-22.6177.955.70000113.9P21 K22P21-S25 PolarHBondContact O-N 2.74Å; P21-S25 PolarHBondContact O-OG 3.43Å; K22-S25 WeakPolarHBondContact CA-OG 3.42Å; K22-S25 PolarHBondContact O-N 2.95Å; K22-S25 PolarHBondContact O-OG 3.33Å
26H80.8Confident87.4Confident80 Ų8066 Ų6637%0.3734%0.342SS..THydrogen-bonded Turntrans-87.9-4.2174.7-62.3157.6000113.7K22 A23 V24 R28 D186K22-H26 PolarHBondContact O-N 2.96Å; K22-H26 PolarHBondContact O-ND1 3.43Å; A23-H26 PolarHBondContact O-N 3.22Å; V24-H26 PolarHBondContact O-N 3.34Å; H26-R28 PolarHBondContact O-N 2.98Å; H26-D186 IonicContact CE1-OD2 2.87Å; H26-D186 IonicContact CG-OD2 3.43Å; H26-D186 VanDerWaalsContact ND1-CG 3.27Å; H26-D186 IonicContact ND1-OD2 3.62Å; H26-D186 PolarHBondContact ND1-OD2 2.93Å
27V84Confident87Confident29 Ų2972.4 Ų72.418%0.17638%0.376CS..SBendtrans-76.2112.6173.3-179.20000107.7V24 F357V24-V27 WeakPolarHBondContact O-CB 3.35Å; V24-V27 PolarHBondContact O-N 3.44Å; V27-F357 HydrophobicContact CG2-CB 3.66Å; V27-F357 HydrophobicContact CG2-CD2 4.35Å; V27-F357 HydrophobicContact CG2-CG 4.32Å
28R82.9Confident86.8Confident108 Ų10873.8 Ų73.841%0.40838%0.383SS..  trans-63.8138.2178.1-71.8-171.5-177.8-169.22.7110.3H26 R30 D298H26-R28 PolarHBondContact O-N 2.98Å; R28-R30 PolarHBondContact O-N 3.43Å; R28-D298 IonicContact CZ-OD1 3.54Å; R28-D298 IonicContact CZ-OD2 2.65Å; R28-D298 VanDerWaalsContact CZ-OD2 3.28Å; R28-D298 IonicContact NE-OD1 2.72Å; R28-D298 IonicContact NH1-OD2 3.32Å; R28-D298 IonicContact NH2-OD1 2.57Å; R28-D298 PolarHBondContact NH2-OD1 3.38Å; R28-D298 IonicContact NH2-OD2 3.74Å; R28-D298 PolarHBondContact NH2-OD2 2.97Å
29P86.7Confident86.7Confident59 Ų5972.8 Ų72.838%0.38338%0.377SS..  trans-55.7141172.3-24.133.8000111.4V31 E41 L42 Q43P29-V31 PolarHBondContact O-N 3.34Å; P29-E41 HydrophobicContact CB-CG 3.55Å; P29-E41 WeakPolarHBondContact CB-OE1 3.42Å; P29-E41 VanDerWaalsContact CG-OE1 3.25Å; P29-E41 WeakPolarHBondContact CG-OE1 3.4Å; P29-L42 WeakPolarHBondContact CA-O 3.29Å; P29-Q43 HydrophobicContact CB-CG 3.94Å; P29-Q43 HydrophobicContact CG-CG 4Å
30R85.6Confident86.8Confident149 Ų14973.5 Ų73.556%0.56238%0.381SS*.EExtended strand (participates in β ladder)trans-86.5110.9173.4-72.1-65.8-171.8170.63.1108.4R28 E41 L42 S358R28-R30 PolarHBondContact O-N 3.43Å; R30-E41 WeakPolarHBondContact O-CA 3.43Å; R30-L42 HydrophobicContact CB-CB 4.47Å; R30-L42 PolarHBondContact N-O 2.93Å; R30-L42 VanDerWaalsContact N-O 3.1Å; R30-L42 PolarHBondContact O-N 2.77Å; R30-S358 PolarHBondContact NH2-O 3.41Å
31V85.7Confident86.8Confident60 Ų6075.5 Ų75.536%0.36439%0.39SS..EExtended strand (participates in β ladder)trans-99.9127.8176.2-174.50000109.2P29 C40 E41 F285P29-V31 PolarHBondContact O-N 3.34Å; V31-C40 CarbonylContact C-O 3.6Å; V31-C40 WeakPolarHBondContact CA-O 3.42Å; V31-E41 HydrophobicContact CG2-CB 4.26Å; V31-E41 HydrophobicContact CG2-CG 3.99Å; V31-F285 HydrophobicContact CG1-CZ 4.24Å
32I86.9Confident86.9Confident109 Ų10975.9 Ų75.956%0.55939%0.388SS*.EExtended strand (participates in β ladder)trans-125126.8176.1-56.2172.3000107.4I34 C40I32-I34 PolarHBondContact O-N 3.38Å; I32-C40 PolarHBondContact N-O 3.4Å; I32-C40 PolarHBondContact O-N 2.85Å
33Q84.9Confident87.2Confident71 Ų7173.5 Ų73.533%0.33238%0.379SS..EExtended strand (participates in β ladder)trans-80.9115168.8-164.680.732.600108S35 D36Q33-S35 WeakPolarHBondContact CG-O 3.4Å; Q33-S35 PolarHBondContact NE2-O 2.89Å; Q33-D36 PolarHBondContact NE2-O 2.9Å
34I87.6Confident87.5Confident104 Ų10475.5 Ų75.553%0.53339%0.389SS..EExtended strand (participates in β ladder)trans-85.4-42.3178.4-61.9178.8000110.1I32 L38 C40I32-I34 PolarHBondContact O-N 3.38Å; I34-L38 HydrophobicContact CB-CB 4.38Å; I34-L38 HydrophobicContact CB-CD2 4.06Å; I34-L38 HydrophobicContact CB-CG 4.28Å; I34-L38 HydrophobicContact CD1-CD2 4.07Å; I34-L38 HydrophobicContact CD1-CG 4.44Å; I34-L38 HydrophobicContact CG2-CD2 4.09Å; I34-L38 PolarHBondContact N-O 2.97Å; I34-C40 HydrophobicContact CD1-CB 3.55Å; I34-C40 HydrophobicContact CG1-CB 4.01Å
35S87.5Confident87.7Confident61 Ų6176.4 Ų76.443%0.42740%0.396SS..EExtended strand (participates in β ladder)trans-149.4172.5173.663.80000108.9Q33 D37 L38Q33-S35 WeakPolarHBondContact CG-O 3.4Å; Q33-S35 PolarHBondContact NE2-O 2.89Å; S35-D37 PolarHBondContact O-N 3.19Å; S35-L38 PolarHBondContact N-O 3.04Å; S35-L38 PolarHBondContact O-N 3.35Å; S35-L38 VanDerWaalsContact OG-CB 3.32Å; S35-L38 WeakPolarHBondContact OG-CB 3.42Å
36D83.6Confident88Confident154 Ų15477.6 Ų77.682%0.82440%0.395SS*.THydrogen-bonded Turntrans-50.4-37.3-176.9-65.9-29.5000113.6Q33Q33-D36 PolarHBondContact NE2-O 2.9Å
37D86.6Confident88.7Confident140 Ų14074.7 Ų74.775%0.74938%0.383SS*.THydrogen-bonded Turntrans-101.20.5-177.9-58.4-43.8000114.5S35 N91S35-D37 PolarHBondContact O-N 3.19Å; D37-N91 PolarHBondContact O-ND2 2.9Å; D37-N91 PolarHBondContact O-OD1 3.13Å
38L89.1Confident89.1Confident51 Ų5178.2 Ų78.227%0.26740%0.4SS..EExtended strand (participates in β ladder)trans-126.1107.9-174.2-169.165.5000112.3I34 S35 L90I34-L38 HydrophobicContact CB-CB 4.38Å; I34-L38 HydrophobicContact CB-CD2 4.06Å; I34-L38 HydrophobicContact CB-CG 4.28Å; I34-L38 HydrophobicContact CD1-CD2 4.07Å; I34-L38 HydrophobicContact CD1-CG 4.44Å; I34-L38 HydrophobicContact CG2-CD2 4.09Å; I34-L38 PolarHBondContact N-O 2.97Å; S35-L38 PolarHBondContact N-O 3.04Å; S35-L38 PolarHBondContact O-N 3.35Å; S35-L38 VanDerWaalsContact OG-CB 3.32Å; S35-L38 WeakPolarHBondContact OG-CB 3.42Å; L38-L90 HydrophobicContact CD1-CB 4.21Å; L38-L90 HydrophobicContact CD1-CD2 4.24Å
39K89.9Confident89.7Confident81 Ų8173.5 Ų73.535%0.35238%0.383SS..EExtended strand (participates in β ladder)trans-100.3123.8169.9-72.6177.7-179.2-179.80109.8L90 N91K39-L90 WeakPolarHBondContact O-CA 3.16Å; K39-N91 PolarHBondContact N-OD1 3.24Å; K39-N91 PolarHBondContact O-N 3.22Å
40C93Very high90Very high26 Ų2671.9 Ų71.918%0.17638%0.378CS..EExtended strand (participates in β ladder)trans-102.6130.1169.8-178.60000109.3V31 I32 I34 L89 L90V31-C40 CarbonylContact C-O 3.6Å; V31-C40 WeakPolarHBondContact CA-O 3.42Å; I32-C40 PolarHBondContact N-O 3.4Å; I32-C40 PolarHBondContact O-N 2.85Å; I34-C40 HydrophobicContact CD1-CB 3.55Å; I34-C40 HydrophobicContact CG1-CB 4.01Å; C40-L89 CarbonylContact C-O 3.5Å; C40-L89 WeakPolarHBondContact CA-O 3.45Å; C40-L90 HydrophobicContact CB-CD2 3.87Å
41E92.7Very high90.5Very high45 Ų4568.7 Ų68.721%0.2137%0.366CS..EExtended strand (participates in β ladder)trans-124.7127177.2179.2-177.2160.300110.1P29 R30 V31 Q43 L89P29-E41 HydrophobicContact CB-CG 3.55Å; P29-E41 WeakPolarHBondContact CB-OE1 3.42Å; P29-E41 VanDerWaalsContact CG-OE1 3.25Å; P29-E41 WeakPolarHBondContact CG-OE1 3.4Å; R30-E41 WeakPolarHBondContact O-CA 3.43Å; V31-E41 HydrophobicContact CG2-CB 4.26Å; V31-E41 HydrophobicContact CG2-CG 3.99Å; E41-Q43 HydrophobicContact CG-CG 4.17Å; E41-Q43 WeakPolarHBondContact OE1-CG 3.49Å; E41-Q43 PolarHBondContact OE1-NE2 2.81Å; E41-L89 HydrophobicContact CB-CB 4.22Å; E41-L89 PolarHBondContact N-O 3.1Å; E41-L89 PolarHBondContact O-N 3.48Å
42L91.9Very high91Very high73 Ų7365.8 Ų65.838%0.38235%0.349SS..EExtended strand (participates in β ladder)trans-103123.7174.2-177.468.9000109.8P29 R30 F86 V88P29-L42 WeakPolarHBondContact CA-O 3.29Å; R30-L42 HydrophobicContact CB-CB 4.47Å; R30-L42 PolarHBondContact N-O 2.93Å; R30-L42 VanDerWaalsContact N-O 3.1Å; R30-L42 PolarHBondContact O-N 2.77Å; L42-F86 HydrophobicContact CD1-CD1 4.49Å; L42-V88 HydrophobicContact CD1-CG2 4.02Å
43Q92.7Very high91.3Very high53 Ų5363.3 Ų63.325%0.24834%0.339CS..EExtended strand (participates in β ladder)trans-119.6144.6177.5-64.1-179.4-900111.4P29 E41 F86 R87 L89P29-Q43 HydrophobicContact CB-CG 3.94Å; P29-Q43 HydrophobicContact CG-CG 4Å; E41-Q43 HydrophobicContact CG-CG 4.17Å; E41-Q43 WeakPolarHBondContact OE1-CG 3.49Å; E41-Q43 PolarHBondContact OE1-NE2 2.81Å; Q43-F86 WeakPolarHBondContact O-CA 3.45Å; Q43-R87 HydrophobicContact CB-CB 4.32Å; Q43-R87 PolarHBondContact N-O 3.05Å; Q43-R87 PolarHBondContact O-N 3.16Å; Q43-L89 HydrophobicContact CB-CD1 4.38Å; Q43-L89 HydrophobicContact CG-CD1 3.88Å
44I91.9Very high91.4Very high41 Ų4162.3 Ų62.321%0.2134%0.335CS..EExtended strand (participates in β ladder)trans-117.4136.6173.6-53.4177.7000108V24 C84 A85 F86V24-I44 HydrophobicContact CG1-CB 4.36Å; V24-I44 HydrophobicContact CG1-CG2 4.05Å; V24-I44 WeakPolarHBondContact CG1-O 3.5Å; I44-C84 HydrophobicContact CG2-CB 3.44Å; I44-C84 VanDerWaalsContact CG2-CB 3.44Å; I44-A85 CarbonylContact C-O 3.54Å; I44-A85 WeakPolarHBondContact CA-O 3.44Å; I44-F86 HydrophobicContact CD1-CE1 4Å; I44-F86 HydrophobicContact CG1-CD1 4.07Å; I44-F86 HydrophobicContact CG1-CE1 3.94Å
45S92.5Very high91Very high25 Ų2561.4 Ų61.418%0.17534%0.336CS..EExtended strand (participates in β ladder)trans-150.9171.8-17958.40000111.7A85S45-A85 PolarHBondContact N-O 3Å; S45-A85 PolarHBondContact O-N 3.21Å; S45-A85 PolarHBondContact OG-O 3.11Å
46N92.5Very high90.1Very high110 Ų11063.6 Ų63.659%0.58834%0.338SS*.EExtended strand (participates in β ladder)trans4958.7172.7-59.7-17.4000114.6A85N46-A85 HydrophobicContact CB-CB 4.28Å
47P93.9Very high89Confident19 Ų1964 Ų6412%0.12334%0.34CS..EExtended strand (participates in β ladder)trans-67.5135.7176.328.8-34.1000111.5I20 P21 V24 L82 S83I20-P47 HydrophobicContact CG2-CB 3.57Å; I20-P47 HydrophobicContact CG2-CG 3.77Å; P21-P47 HydrophobicContact CB-CG 4.24Å; P21-P47 HydrophobicContact CG-CG 4.15Å; V24-P47 HydrophobicContact CB-CG 4.02Å; V24-P47 HydrophobicContact CG2-CB 3.9Å; V24-P47 HydrophobicContact CG2-CG 3.67Å; P47-L82 HydrophobicContact CB-CD1 3.95Å; P47-S83 CarbonylContact C-O 3.47Å; P47-S83 WeakPolarHBondContact CA-O 3.45Å
48I93.1Very high87.3Confident104 Ų10461.4 Ų61.453%0.53335%0.346SS..EExtended strand (participates in β ladder)trans-132.4121.3178.6-59.6169.7000109.1L82 S83I48-L82 WeakPolarHBondContact O-CA 3.49Å; I48-S83 PolarHBondContact N-O 3.04Å; I48-S83 PolarHBondContact O-N 2.71Å
49V94.9Very high85.3Confident8 Ų862.7 Ų62.75%0.04836%0.357CS..EExtended strand (participates in β ladder)trans-95119.2167.4-1780000108.7L17 I20 L82 I107 R113L17-V49 HydrophobicContact CD2-CB 4.2Å; L17-V49 HydrophobicContact CD2-CG1 4.04Å; L17-V49 HydrophobicContact CD2-CG2 4.23Å; I20-V49 HydrophobicContact CD1-CG2 3.38Å; V49-L82 HydrophobicContact CG2-CB 4.38Å; V49-L82 HydrophobicContact CG2-CD1 3.64Å; V49-I107 HydrophobicContact CG1-CD1 3.88Å; V49-R113 HydrophobicContact CG1-CG 4.28Å; V49-R113 PolarHBondContact O-NE 3.46Å
50G93.1Very high83.5Confident26 Ų2668 Ų6827%0.26839%0.388SS..  trans-76.3-171.1175.800000113.4S80 K81G50-S80 VanDerWaalsContact CA-OG 3.31Å; G50-S80 WeakPolarHBondContact CA-OG 3.4Å; G50-S80 WeakPolarHBondContact O-CB 3.37Å; G50-S80 PolarHBondContact O-OG 2.96Å; G50-K81 PolarHBondContact N-O 3.4Å; G50-K81 VanDerWaalsContact N-O 3.17Å
51Y95.6Very high81.6Confident81 Ų8172.3 Ų72.332%0.31841%0.408SS..  trans-89.4156.5162.2-77.7-97.7000110.4T53 S80 R112 R113 Y115Y51-T53 PolarHBondContact O-N 3.16Å; Y51-S80 PolarHBondContact N-OG 3.26Å; Y51-S80 PolarHBondContact O-OG 3.11Å; Y51-R112 PolarHBondContact OH-O 3.22Å; Y51-R113 WeakPolarHBondContact CD1-O 3.32Å; Y51-Y115 VanDerWaalsContact CB-CZ 3.49Å; Y51-Y115 VanDerWaalsContact CB-OH 3.23Å; Y51-Y115 WeakPolarHBondContact CB-OH 3.37Å; Y51-Y115 AromaticContact CD1-CD1 3.79Å; Y51-Y115 HydrophobicContact CD1-CD1 3.79Å; Y51-Y115 HydrophobicContact CD1-CD2 4.41Å; Y51-Y115 AromaticContact CD1-CE1 3.58Å; Y51-Y115 HydrophobicContact CD1-CE1 3.58Å; Y51-Y115 HydrophobicContact CD1-CE2 4.24Å; Y51-Y115 HydrophobicContact CD1-CG 4.2Å; Y51-Y115 AromaticContact CD1-CZ 3.83Å; Y51-Y115 HydrophobicContact CE1-CD1 4.14Å; Y51-Y115 HydrophobicContact CE1-CE1 4.22Å; Y51-Y115 AromaticContact CG-CE1 3.88Å; Y51-Y115 HydrophobicContact CG-CE1 3.88Å; Y51-Y115 AromaticContact CG-CZ 3.88Å
52P96.6Very high80.2Confident0 Ų079 Ų790%044%0.439CS..  trans-61.2122.9172.3-30.241.9000111.4L66 Y78 K79 I107 R113 Y115P52-L66 HydrophobicContact CB-CB 4.1Å; P52-L66 HydrophobicContact CB-CD2 4.37Å; P52-L66 PolarHBondContact O-N 3.5Å; P52-Y78 HydrophobicContact CB-CD2 3.87Å; P52-Y78 HydrophobicContact CB-CE2 3.49Å; P52-Y78 VanDerWaalsContact CB-CE2 3.49Å; P52-Y78 HydrophobicContact CG-CD1 4.32Å; P52-Y78 HydrophobicContact CG-CD2 4.03Å; P52-Y78 HydrophobicContact CG-CE1 3.89Å; P52-Y78 HydrophobicContact CG-CE2 3.58Å; P52-Y78 HydrophobicContact CG-CG 4.39Å; P52-Y78 VanDerWaalsContact CG-CZ 3.49Å; P52-K79 WeakPolarHBondContact CA-O 3.28Å; P52-K79 VanDerWaalsContact CB-O 3.3Å; P52-K79 WeakPolarHBondContact CB-O 3.39Å; P52-I107 HydrophobicContact CG-CB 3.94Å; P52-I107 HydrophobicContact CG-CG1 3.59Å; P52-I107 HydrophobicContact CG-CG2 4.35Å; P52-R113 VanDerWaalsContact CD-O 3.29Å; P52-R113 WeakPolarHBondContact CD-O 3.41Å; P52-Y115 VanDerWaalsContact O-CE2 3.32Å; P52-Y115 WeakPolarHBondContact O-CE2 3.27Å
53T93.7Very high79.3Confident57 Ų5776.4 Ų76.435%0.3543%0.43SS..EExtended strand (participates in β ladder)trans-135.2152.3-179.154.70000111.3Y51 L64Y51-T53 PolarHBondContact O-N 3.16Å; T53-L64 CarbonylContact C-O 3.49Å; T53-L64 WeakPolarHBondContact CA-O 3.42Å; T53-L64 WeakPolarHBondContact CB-O 3.3Å
54I87.6Confident79.1Confident49 Ų4978.2 Ų78.225%0.25144%0.441SS..EExtended strand (participates in β ladder)trans-85.4118.5168-55.6173.7000106.8K56 G63 L64 L66I54-K56 PolarHBondContact O-N 3.33Å; I54-G63 WeakPolarHBondContact O-CA 3.44Å; I54-L64 HydrophobicContact CB-CB 4.34Å; I54-L64 PolarHBondContact N-O 3.01Å; I54-L64 PolarHBondContact O-N 3.39Å; I54-L66 HydrophobicContact CD1-CD1 4.03Å; I54-L66 HydrophobicContact CG1-CB 4.14Å; I54-L66 HydrophobicContact CG1-CD1 3.8Å; I54-L66 HydrophobicContact CG1-CG 4.46Å
55P78.2Confident79.2Confident86 Ų8682.8 Ų82.856%0.55846%0.459SS*.PPolyproline II helixtrans-57.4130.3173.5-18.329.5000109.6
56K69.7Low79.4Confident106 Ų10682.1 Ų82.146%0.46145%0.454SS..PPolyproline II helixtrans-91.4122.6161.4-81.1-179.1167.6173.60107I54 G58I54-K56 PolarHBondContact O-N 3.33Å; K56-G58 PolarHBondContact O-N 2.87Å
57D59.5Low79.6Confident162 Ų16278.1 Ų78.187%0.86643%0.432SS*.THydrogen-bonded Turntrans-56.6130.8178.7-69.3-34.5000110.7T59D57-T59 PolarHBondContact O-N 2.79Å
58G52.3Low79.8Confident86 Ų8677.2 Ų77.289%0.88743%0.426SS*.THydrogen-bonded Turntrans79.77.5163.200000118.7K56K56-G58 PolarHBondContact O-N 2.87Å
59T46.3Very low80Confident79 Ų7975.8 Ų75.849%0.48542%0.415SS..  trans-132.7143.4178.249.30000113.6D57 I61D57-T59 PolarHBondContact O-N 2.79Å; T59-I61 PolarHBondContact O-N 3.37Å
60L51.4Low80.1Confident192 Ų19278.4 Ų78.4100%1.00543%0.427SS*.  trans-70.211177.6-72.9161.8000114
61I53.1Low80.3Confident117 Ų11777.2 Ų77.260%0.641%0.414SS*.SBendtrans-85.3141.5-174.5-53168.7000108.7T59 G63T59-I61 PolarHBondContact O-N 3.37Å; I61-G63 PolarHBondContact O-N 3.25Å
62E63.3Low80.5Confident184 Ų18476.1 Ų76.186%0.8641%0.409SS*.PPolyproline II helixtrans-48.9124173.3-67.6-172.7157.600110.3
63G73.8Confident80.5Confident19 Ų1980.1 Ų80.120%0.19644%0.436CS..PPolyproline II helixtrans-58.6160.1-17900000112.1I54 I61I54-G63 WeakPolarHBondContact O-CA 3.44Å; I61-G63 PolarHBondContact O-N 3.25Å
64L88.9Confident80.6Confident91 Ų9184.1 Ų84.148%0.47645%0.445SS..EExtended strand (participates in β ladder)trans-62.6143177.2-67.4168000109.8T53 I54 L66T53-L64 CarbonylContact C-O 3.49Å; T53-L64 WeakPolarHBondContact CA-O 3.42Å; T53-L64 WeakPolarHBondContact CB-O 3.3Å; I54-L64 HydrophobicContact CB-CB 4.34Å; I54-L64 PolarHBondContact N-O 3.01Å; I54-L64 PolarHBondContact O-N 3.39Å; L64-L66 PolarHBondContact O-N 2.97Å
65K94.1Very high81.1Confident138 Ų13883.7 Ų83.760%0.645%0.453SS*.EExtended strand (participates in β ladder)trans-57.2124.4175-59.7-174.5179.6175.70108.8Y115K65-Y115 HydrophobicContact CB-CD2 4.26Å; K65-Y115 HydrophobicContact CB-CE1 4.49Å; K65-Y115 HydrophobicContact CB-CE2 3.72Å; K65-Y115 HydrophobicContact CD-CD1 4.14Å; K65-Y115 HydrophobicContact CD-CE1 3.85Å; K65-Y115 HydrophobicContact CG-CE1 3.94Å; K65-Y115 HydrophobicContact CG-CE2 4.04Å
66L95.4Very high82Confident10 Ų1082.1 Ų82.15%0.05244%0.439CS..PPolyproline II helixtrans-92.9128.4168.5-176.563.5000107.5P52 I54 L64 E70 C71 I76 Y78 Y115P52-L66 HydrophobicContact CB-CB 4.1Å; P52-L66 HydrophobicContact CB-CD2 4.37Å; P52-L66 PolarHBondContact O-N 3.5Å; I54-L66 HydrophobicContact CD1-CD1 4.03Å; I54-L66 HydrophobicContact CG1-CB 4.14Å; I54-L66 HydrophobicContact CG1-CD1 3.8Å; I54-L66 HydrophobicContact CG1-CG 4.46Å; L64-L66 PolarHBondContact O-N 2.97Å; L66-E70 HydrophobicContact CD1-CB 4.28Å; L66-C71 VanDerWaalsContact CD2-SG 3.56Å; L66-I76 HydrophobicContact CD1-CD1 4.23Å; L66-I76 HydrophobicContact CD2-CD1 4.38Å; L66-Y78 WeakPolarHBondContact O-CE2 3.49Å; L66-Y115 WeakPolarHBondContact O-CD2 3.45Å
67L97.2Very high83.4Confident27 Ų2777.9 Ų77.914%0.14142%0.422CS..PPolyproline II helixtrans-103.1152.5179.2-64.7175.9000111.7Y69 E70 C71 Y115 L127L67-Y69 PolarHBondContact O-N 2.91Å; L67-E70 HydrophobicContact CB-CG 4.24Å; L67-E70 PolarHBondContact N-OE2 2.85Å; L67-E70 WeakPolarHBondContact O-CB 3.34Å; L67-E70 PolarHBondContact O-N 3.46Å; L67-C71 PolarHBondContact O-N 3.03Å; L67-Y115 HydrophobicContact CD2-CD2 4.19Å; L67-Y115 HydrophobicContact CD2-CG 4.39Å; L67-L127 HydrophobicContact CD1-CD1 4.34Å; L67-L127 HydrophobicContact CD1-CD2 3.95Å; L67-L127 HydrophobicContact CD2-CD1 4.45Å
68P98.2Very high85.2Confident0 Ų070.2 Ų70.20%038%0.381CS..Hα-helixtrans-56-47178.7-2737.4000113.5E70 C71 R72 Y78 V109 L116 E129 I139P68-E70 VanDerWaalsContact C-N 3.28Å; P68-E70 PolarHBondContact O-N 3.23Å; P68-C71 WeakPolarHBondContact O-CB 3.2Å; P68-C71 PolarHBondContact O-N 3.15Å; P68-R72 PolarHBondContact O-N 2.93Å; P68-R72 VanDerWaalsContact O-N 3.13Å; P68-Y78 HydrophobicContact CG-CD1 4.41Å; P68-Y78 HydrophobicContact CG-CD2 4.4Å; P68-Y78 HydrophobicContact CG-CE1 3.98Å; P68-Y78 HydrophobicContact CG-CE2 3.95Å; P68-V109 HydrophobicContact CB-CG2 4.26Å; P68-V109 HydrophobicContact CG-CG2 4.42Å; P68-L116 HydrophobicContact CB-CD1 4.39Å; P68-L116 HydrophobicContact CG-CD1 3.75Å; P68-L116 HydrophobicContact CG-CG 4.05Å; P68-E129 WeakPolarHBondContact CB-OE1 3.25Å; P68-I139 HydrophobicContact CB-CD1 3.56Å; P68-I139 WeakPolarHBondContact O-CD1 3.37Å
69Y97.7Very high87.3Confident73 Ų7369.7 Ų69.729%0.28635%0.354SS..Hα-helixtrans-50.4-44.9174.2175.3-91.3000113.1L67 C71 R72 C73 R128 E129L67-Y69 PolarHBondContact O-N 2.91Å; Y69-C71 VanDerWaalsContact C-N 3.32Å; Y69-C71 PolarHBondContact O-N 3.09Å; Y69-R72 WeakPolarHBondContact O-CB 3.5Å; Y69-R72 PolarHBondContact O-N 2.69Å; Y69-C73 VanDerWaalsContact CE1-SG 3.51Å; Y69-C73 PolarHBondContact O-N 2.94Å; Y69-C73 PolarHBondContact O-SG 2.8Å; Y69-R128 HydrophobicContact CD1-CB 4.24Å; Y69-R128 HydrophobicContact CD2-CB 3.72Å; Y69-R128 WeakPolarHBondContact CD2-O 3.48Å; Y69-R128 HydrophobicContact CE1-CB 4.32Å; Y69-R128 HydrophobicContact CE2-CB 3.78Å; Y69-R128 HydrophobicContact CG-CB 3.97Å; Y69-R128 PolarHBondContact OH-NH1 3.18Å; Y69-E129 WeakPolarHBondContact CB-OE1 3.2Å; Y69-E129 PolarHBondContact N-OE1 3.12Å
70E96.9Very high89.7Confident64 Ų6466.3 Ų66.330%0.29933%0.334SS..Hα-helixtrans-63.9-38.1179.2-62.9177.2174.600111.9L66 L67 P68 R72 C73 R74L66-E70 HydrophobicContact CD1-CB 4.28Å; L67-E70 HydrophobicContact CB-CG 4.24Å; L67-E70 PolarHBondContact N-OE2 2.85Å; L67-E70 WeakPolarHBondContact O-CB 3.34Å; L67-E70 PolarHBondContact O-N 3.46Å; P68-E70 VanDerWaalsContact C-N 3.28Å; P68-E70 PolarHBondContact O-N 3.23Å; E70-R72 VanDerWaalsContact C-N 3.34Å; E70-C73 PolarHBondContact O-N 3.05Å; E70-R74 VanDerWaalsContact O-CB 3.27Å; E70-R74 WeakPolarHBondContact O-CB 3.2Å; E70-R74 VanDerWaalsContact O-CG 3.27Å; E70-R74 WeakPolarHBondContact O-CG 3.45Å; E70-R74 PolarHBondContact O-N 2.75Å
71C97.9Very high91.7Very high0 Ų062.2 Ų62.20%031%0.308CS..Hα-helixtrans-63.7-39.3176.2-69.50000112.3L66 L67 P68 Y69 G75 I76 I139L66-C71 VanDerWaalsContact CD2-SG 3.56Å; L67-C71 PolarHBondContact O-N 3.03Å; P68-C71 WeakPolarHBondContact O-CB 3.2Å; P68-C71 PolarHBondContact O-N 3.15Å; Y69-C71 VanDerWaalsContact C-N 3.32Å; Y69-C71 PolarHBondContact O-N 3.09Å; C71-G75 PolarHBondContact O-N 2.81Å; C71-G75 VanDerWaalsContact O-N 3.11Å; C71-I76 HydrophobicContact CB-CG1 4.06Å; C71-I76 PolarHBondContact O-N 3.38Å; C71-I139 HydrophobicContact CB-CG2 3.92Å
72R98Very high93.6Very high58 Ų5856.6 Ų56.622%0.21928%0.279CS..Hα-helixtrans-61.2-52.6174.2-59.1-175.5-170.298.4-9.9110.6P68 Y69 E70 R74 G75 E129 E133 Y137 I139 E144P68-R72 PolarHBondContact O-N 2.93Å; P68-R72 VanDerWaalsContact O-N 3.13Å; Y69-R72 WeakPolarHBondContact O-CB 3.5Å; Y69-R72 PolarHBondContact O-N 2.69Å; E70-R72 VanDerWaalsContact C-N 3.34Å; R72-R74 VanDerWaalsContact C-N 3.34Å; R72-R74 PolarHBondContact O-N 3.46Å; R72-G75 PolarHBondContact O-N 2.85Å; R72-E129 IonicContact CZ-OE2 2.76Å; R72-E129 IonicContact NH1-OE1 2.64Å; R72-E129 PolarHBondContact NH1-OE1 3.2Å; R72-E129 IonicContact NH1-OE2 3.22Å; R72-E129 PolarHBondContact NH1-OE2 3.39Å; R72-E129 IonicContact NH2-OE2 2.75Å; R72-E129 PolarHBondContact NH2-OE2 2.83Å; R72-E133 IonicContact NH2-OE2 3.48Å; R72-Y137 PolarHBondContact NH2-OH 3.04Å; R72-I139 HydrophobicContact CG-CD1 3.87Å; R72-I139 HydrophobicContact CG-CG1 4.4Å; R72-I139 HydrophobicContact CG-CG2 4.37Å; R72-E144 IonicContact CZ-OE1 3.58Å; R72-E144 IonicContact NE-OE1 3.26Å; R72-E144 PolarHBondContact NE-OE1 2.86Å; R72-E144 IonicContact NH2-OE1 3.29Å; R72-E144 PolarHBondContact NH2-OE1 2.78Å
73C97.4Very high95.1Very high84 Ų8449.2 Ų49.257%0.56825%0.248SC*.Hα-helixtrans-63.2-37.4-178.4-66.10000113.3Y69 E70Y69-C73 VanDerWaalsContact CE1-SG 3.51Å; Y69-C73 PolarHBondContact O-N 2.94Å; Y69-C73 PolarHBondContact O-SG 2.8Å; E70-C73 PolarHBondContact O-N 3.05Å
74R96.8Very high96.1Very high142 Ų14248.3 Ų48.354%0.53624%0.239SC..Hα-helixtrans-84.5-8.7-177.7-68.7173.464.5-176.31.1113.8E70 R72 I76E70-R74 VanDerWaalsContact O-CB 3.27Å; E70-R74 WeakPolarHBondContact O-CB 3.2Å; E70-R74 VanDerWaalsContact O-CG 3.27Å; E70-R74 WeakPolarHBondContact O-CG 3.45Å; E70-R74 PolarHBondContact O-N 2.75Å; R72-R74 VanDerWaalsContact C-N 3.34Å; R72-R74 PolarHBondContact O-N 3.46Å; R74-I76 VanDerWaalsContact C-N 3.31Å; R74-I76 HydrophobicContact CB-CD1 4.25Å; R74-I76 HydrophobicContact CB-CG1 4.01Å; R74-I76 HydrophobicContact CB-CG2 4.22Å; R74-I76 PolarHBondContact O-N 3.06Å
75G97.3Very high96.3Very high40 Ų4044.3 Ų44.341%0.41222%0.219SC..THydrogen-bonded Turntrans69.426.8-175.100000113.7C71 R72 N141C71-G75 PolarHBondContact O-N 2.81Å; C71-G75 VanDerWaalsContact O-N 3.11Å; R72-G75 PolarHBondContact O-N 2.85Å; G75-N141 VanDerWaalsContact C-C 3.43Å; G75-N141 CarbonylContact O-C 3.57Å; G75-N141 VanDerWaalsContact O-C 3.24Å; G75-N141 WeakPolarHBondContact O-CA 3.31Å
76I97.3Very high96.2Very high52 Ų5239.7 Ų39.727%0.26720%0.199SC..  trans-112167.3-17765.5174.7000111.9L66 C71 R74 G142L66-I76 HydrophobicContact CD1-CD1 4.23Å; L66-I76 HydrophobicContact CD2-CD1 4.38Å; C71-I76 HydrophobicContact CB-CG1 4.06Å; C71-I76 PolarHBondContact O-N 3.38Å; R74-I76 VanDerWaalsContact C-N 3.31Å; R74-I76 HydrophobicContact CB-CD1 4.25Å; R74-I76 HydrophobicContact CB-CG1 4.01Å; R74-I76 HydrophobicContact CB-CG2 4.22Å; R74-I76 PolarHBondContact O-N 3.06Å; I76-G142 PolarHBondContact O-N 3.39Å
77T97.9Very high96.2Very high18 Ų1844 Ų4411%0.1121%0.214CC..  trans-85.2134.7178.5-64.80000111.2K79 I139 I140 N141T77-K79 HydrophobicContact CG2-CB 4.02Å; T77-K79 HydrophobicContact CG2-CD 3.97Å; T77-K79 HydrophobicContact CG2-CG 4.17Å; T77-K79 PolarHBondContact O-N 3.33Å; T77-I139 CarbonylContact C-O 3.56Å; T77-I139 VanDerWaalsContact CA-O 3.32Å; T77-I139 WeakPolarHBondContact CA-O 3.36Å; T77-I139 WeakPolarHBondContact CG2-O 3.41Å; T77-I140 HydrophobicContact CG2-CD1 3.81Å; T77-N141 PolarHBondContact OG1-N 2.96Å; T77-N141 PolarHBondContact OG1-OD1 3.14Å
78Y98.3Very high96.1Very high0 Ų044.4 Ų44.40%022%0.218CC..  trans-81.197.2171.3-171.6-117.1000109.8P52 L66 P68 P106 I107 C114 Y115 I139P52-Y78 HydrophobicContact CB-CD2 3.87Å; P52-Y78 HydrophobicContact CB-CE2 3.49Å; P52-Y78 VanDerWaalsContact CB-CE2 3.49Å; P52-Y78 HydrophobicContact CG-CD1 4.32Å; P52-Y78 HydrophobicContact CG-CD2 4.03Å; P52-Y78 HydrophobicContact CG-CE1 3.89Å; P52-Y78 HydrophobicContact CG-CE2 3.58Å; P52-Y78 HydrophobicContact CG-CG 4.39Å; P52-Y78 VanDerWaalsContact CG-CZ 3.49Å; L66-Y78 WeakPolarHBondContact O-CE2 3.49Å; P68-Y78 HydrophobicContact CG-CD1 4.41Å; P68-Y78 HydrophobicContact CG-CD2 4.4Å; P68-Y78 HydrophobicContact CG-CE1 3.98Å; P68-Y78 HydrophobicContact CG-CE2 3.95Å; Y78-P106 WeakPolarHBondContact O-CA 2.95Å; Y78-I107 HydrophobicContact CD1-CB 3.91Å; Y78-I107 HydrophobicContact CD1-CG2 4.27Å; Y78-I107 WeakPolarHBondContact CD1-O 3.44Å; Y78-I107 HydrophobicContact CE1-CB 3.85Å; Y78-I107 HydrophobicContact CE1-CG2 3.75Å; Y78-I107 PolarHBondContact O-N 2.92Å; Y78-C114 HydrophobicContact CE1-CB 4.21Å; Y78-C114 PolarHBondContact OH-SG 3.42Å; Y78-Y115 PolarHBondContact OH-N 3.48Å; Y78-I139 PolarHBondContact N-O 2.64Å
79K97Very high95.9Very high75 Ų7545 Ų4533%0.32622%0.221SC..EExtended strand (participates in β ladder)trans-140.7158.2-171.659.1-172.6178.8173.30112.2P52 T77 E104 V105P52-K79 WeakPolarHBondContact CA-O 3.28Å; P52-K79 VanDerWaalsContact CB-O 3.3Å; P52-K79 WeakPolarHBondContact CB-O 3.39Å; T77-K79 HydrophobicContact CG2-CB 4.02Å; T77-K79 HydrophobicContact CG2-CD 3.97Å; T77-K79 HydrophobicContact CG2-CG 4.17Å; T77-K79 PolarHBondContact O-N 3.33Å; K79-E104 HydrophobicContact CD-CB 4.01Å; K79-E104 WeakPolarHBondContact CD-OE2 3.44Å; K79-E104 WeakPolarHBondContact CE-OE2 3.34Å; K79-E104 IonicContact NZ-OE1 3.87Å; K79-E104 IonicContact NZ-OE2 3.78Å; K79-E104 PolarHBondContact NZ-OE2 3.39Å; K79-V105 CarbonylContact C-O 3.59Å; K79-V105 VanDerWaalsContact CA-O 3.29Å; K79-V105 WeakPolarHBondContact CA-O 3.39Å; K79-V105 WeakPolarHBondContact CB-O 3.36Å
80S95.4Very high95.7Very high9 Ų944.2 Ų44.26%0.06322%0.222CC..EExtended strand (participates in β ladder)trans-127.9162171.3-167.20000111.6G50 Y51 E104 V105G50-S80 VanDerWaalsContact CA-OG 3.31Å; G50-S80 WeakPolarHBondContact CA-OG 3.4Å; G50-S80 WeakPolarHBondContact O-CB 3.37Å; G50-S80 PolarHBondContact O-OG 2.96Å; Y51-S80 PolarHBondContact N-OG 3.26Å; Y51-S80 PolarHBondContact O-OG 3.11Å; S80-E104 CarbonylContact O-C 3.57Å; S80-E104 WeakPolarHBondContact O-CA 3.5Å; S80-V105 PolarHBondContact N-O 3.24Å; S80-V105 PolarHBondContact O-N 2.97Å
81K93.6Very high95.5Very high105 Ų10545.5 Ų45.546%0.45723%0.23SC..EExtended strand (participates in β ladder)trans-76.5132.2175.4-64.6-179.2-178.9179.70109.9G50 P101G50-K81 PolarHBondContact N-O 3.4Å; G50-K81 VanDerWaalsContact N-O 3.17Å; K81-P101 HydrophobicContact CD-CB 4.22Å
82L94Very high95.1Very high0 Ų048.2 Ų48.20%026%0.258CS..EExtended strand (participates in β ladder)trans-96.5113.5162.1171.663.6000107.8I20 P47 I48 V49 L102 M103 V105 L353 F357I20-L82 HydrophobicContact CG2-CD1 4.09Å; P47-L82 HydrophobicContact CB-CD1 3.95Å; I48-L82 WeakPolarHBondContact O-CA 3.49Å; V49-L82 HydrophobicContact CG2-CB 4.38Å; V49-L82 HydrophobicContact CG2-CD1 3.64Å; L82-L102 PolarHBondContact O-N 3.32Å; L82-M103 HydrophobicContact CB-CG 4.01Å; L82-M103 HydrophobicContact CD2-CG 3.86Å; L82-M103 HydrophobicContact CD2-SD 3.99Å; L82-M103 HydrophobicContact CG-CG 4.37Å; L82-M103 PolarHBondContact N-O 3.3Å; L82-M103 PolarHBondContact O-N 3.32Å; L82-V105 HydrophobicContact CB-CG2 3.78Å; L82-V105 HydrophobicContact CD2-CG2 4.12Å; L82-L353 HydrophobicContact CD2-CD1 3.74Å; L82-L353 HydrophobicContact CD2-CD2 4.09Å; L82-L353 HydrophobicContact CD2-CG 4.45Å; L82-F357 HydrophobicContact CD2-CE1 4.03Å; L82-F357 HydrophobicContact CD2-CZ 3.79Å
83S94Very high94.9Very high29 Ų2949.9 Ų49.920%0.20328%0.275CS..EExtended strand (participates in β ladder)trans-109.4144.4179-57.80000110.5P47 I48 R100P47-S83 CarbonylContact C-O 3.47Å; P47-S83 WeakPolarHBondContact CA-O 3.45Å; I48-S83 PolarHBondContact N-O 3.04Å; I48-S83 PolarHBondContact O-N 2.71Å; S83-R100 VanDerWaalsContact CA-O 3.29Å; S83-R100 WeakPolarHBondContact CA-O 3.37Å
84C94.2Very high94.7Very high0 Ų049.3 Ų49.30%027%0.269CS..EExtended strand (participates in β ladder)trans-131155.4176.4-61.90000110.6I44 F86 V99 R100I44-C84 HydrophobicContact CG2-CB 3.44Å; I44-C84 VanDerWaalsContact CG2-CB 3.44Å; C84-F86 HydrophobicContact CB-CE2 4.22Å; C84-F86 WeakPolarHBondContact O-CD2 3.42Å; C84-V99 WeakPolarHBondContact O-CA 3.42Å; C84-R100 PolarHBondContact N-O 2.91Å; C84-R100 PolarHBondContact O-N 3.07Å
85A93.5Very high94.7Very high7 Ų746.5 Ų46.56%0.05827%0.267CS..EExtended strand (participates in β ladder)trans-83.2124166.900000110I44 S45 N46 S98 V99I44-A85 CarbonylContact C-O 3.54Å; I44-A85 WeakPolarHBondContact CA-O 3.44Å; S45-A85 PolarHBondContact N-O 3Å; S45-A85 PolarHBondContact O-N 3.21Å; S45-A85 PolarHBondContact OG-O 3.11Å; N46-A85 HydrophobicContact CB-CB 4.28Å; A85-S98 WeakPolarHBondContact CA-O 3.34Å; A85-V99 HydrophobicContact CB-CG2 4.15Å
86F93Very high94.5Very high41 Ų4150 Ų5018%0.1827%0.273CS..EExtended strand (participates in β ladder)trans-100.7129.5174.3-66-94.3000109.2L42 Q43 I44 C84 S97 S98 R100 L102L42-F86 HydrophobicContact CD1-CD1 4.49Å; Q43-F86 WeakPolarHBondContact O-CA 3.45Å; I44-F86 HydrophobicContact CD1-CE1 4Å; I44-F86 HydrophobicContact CG1-CD1 4.07Å; I44-F86 HydrophobicContact CG1-CE1 3.94Å; C84-F86 HydrophobicContact CB-CE2 4.22Å; C84-F86 WeakPolarHBondContact O-CD2 3.42Å; F86-S97 CarbonylContact O-C 3.6Å; F86-S97 VanDerWaalsContact O-CA 3.29Å; F86-S97 WeakPolarHBondContact O-CA 3.4Å; F86-S98 PolarHBondContact N-O 3.48Å; F86-S98 PolarHBondContact O-N 3.42Å; F86-R100 HydrophobicContact CD2-CB 3.96Å; F86-R100 HydrophobicContact CD2-CG 4.16Å; F86-R100 HydrophobicContact CE2-CB 3.79Å; F86-R100 HydrophobicContact CE2-CG 4.46Å; F86-L102 HydrophobicContact CZ-CB 4.36Å; F86-L102 HydrophobicContact CZ-CD1 3.9Å
87R94.3Very high94.3Very high100 Ų10051.3 Ų51.338%0.37729%0.287SS..EExtended strand (participates in β ladder)trans-119.1131.8171.3-64179.6-178.9169.5-1109.5Q43 L89 T94 Q96Q43-R87 HydrophobicContact CB-CB 4.32Å; Q43-R87 PolarHBondContact N-O 3.05Å; Q43-R87 PolarHBondContact O-N 3.16Å; R87-L89 HydrophobicContact CB-CD1 3.92Å; R87-T94 HydrophobicContact CB-CG2 4.46Å; R87-Q96 WeakPolarHBondContact CA-O 3.42Å
88V94.7Very high94.2Very high35 Ų3551.8 Ų51.821%0.21229%0.291CS..EExtended strand (participates in β ladder)trans-106.9121.8170.3-176.10000107.3L42 V95 Q96L42-V88 HydrophobicContact CD1-CG2 4.02Å; V88-V95 HydrophobicContact CB-CG2 4.23Å; V88-V95 HydrophobicContact CG1-CG2 4.05Å; V88-V95 WeakPolarHBondContact O-CG2 3.41Å; V88-V95 PolarHBondContact O-N 3.35Å; V88-Q96 HydrophobicContact CB-CB 4.16Å; V88-Q96 HydrophobicContact CG2-CB 4.34Å; V88-Q96 PolarHBondContact N-O 3Å; V88-Q96 PolarHBondContact O-N 2.97Å
89L95.1Very high93.9Very high14 Ų1456.2 Ų56.27%0.07332%0.317CS..EExtended strand (participates in β ladder)trans-110.2132.4177.8-62.677.4000109.1C40 E41 Q43 R87 T93C40-L89 CarbonylContact C-O 3.5Å; C40-L89 WeakPolarHBondContact CA-O 3.45Å; E41-L89 HydrophobicContact CB-CB 4.22Å; E41-L89 PolarHBondContact N-O 3.1Å; E41-L89 PolarHBondContact O-N 3.48Å; Q43-L89 HydrophobicContact CB-CD1 4.38Å; Q43-L89 HydrophobicContact CG-CD1 3.88Å; R87-L89 HydrophobicContact CB-CD1 3.92Å; L89-T93 CarbonylContact C-O 3.52Å; L89-T93 WeakPolarHBondContact CA-O 3.35Å
90L94.1Very high93.6Very high56 Ų5659.4 Ų59.429%0.29333%0.328SS..EExtended strand (participates in β ladder)trans-110.3119.9168.2-64.3-178000108.2L38 K39 C40 G92 T93 V95L38-L90 HydrophobicContact CD1-CB 4.21Å; L38-L90 HydrophobicContact CD1-CD2 4.24Å; K39-L90 WeakPolarHBondContact O-CA 3.16Å; C40-L90 HydrophobicContact CB-CD2 3.87Å; L90-G92 PolarHBondContact O-N 3.47Å; L90-T93 PolarHBondContact N-O 2.89Å; L90-T93 WeakPolarHBondContact O-CB 3.29Å; L90-T93 PolarHBondContact O-N 3.43Å; L90-V95 HydrophobicContact CB-CG1 4.05Å; L90-V95 HydrophobicContact CD1-CG1 3.98Å; L90-V95 HydrophobicContact CD1-CG2 4.01Å; L90-V95 HydrophobicContact CG-CG1 4.03Å; L90-V95 HydrophobicContact CG-CG2 3.79Å
91N91Very high93.4Very high91 Ų9162.8 Ų62.849%0.48735%0.349SS..THydrogen-bonded Turntrans48.543.8-175.7-66-17.1000112.7D37 K39 T93D37-N91 PolarHBondContact O-ND2 2.9Å; D37-N91 PolarHBondContact O-OD1 3.13Å; K39-N91 PolarHBondContact N-OD1 3.24Å; K39-N91 PolarHBondContact O-N 3.22Å; N91-T93 PolarHBondContact O-N 3.08Å
92G90.4Very high93.3Very high56 Ų5661 Ų6158%0.57735%0.345SS*.THydrogen-bonded Turntrans78.5-6.5-178.800000115.4L90L90-G92 PolarHBondContact O-N 3.47Å
93T93.6Very high93.2Very high94 Ų9464.2 Ų64.258%0.57736%0.36SS*.EExtended strand (participates in β ladder)trans-94.2124.4177.7-56.90000110.5L89 L90 N91 V95L89-T93 CarbonylContact C-O 3.52Å; L89-T93 WeakPolarHBondContact CA-O 3.35Å; L90-T93 PolarHBondContact N-O 2.89Å; L90-T93 WeakPolarHBondContact O-CB 3.29Å; L90-T93 PolarHBondContact O-N 3.43Å; N91-T93 PolarHBondContact O-N 3.08Å; T93-V95 PolarHBondContact O-N 3.36Å
94T94.2Very high93.2Very high71 Ų7167.5 Ų67.544%0.43637%0.372SS..EExtended strand (participates in β ladder)trans-67.4116.6175.8-60.30000110.1R87R87-T94 HydrophobicContact CB-CG2 4.46Å
95V95.5Very high93.2Very high84 Ų8467.9 Ų67.951%0.50938%0.375SS..EExtended strand (participates in β ladder)trans-102.5-23.1178.3-64.80000113V88 L90 T93V88-V95 HydrophobicContact CB-CG2 4.23Å; V88-V95 HydrophobicContact CG1-CG2 4.05Å; V88-V95 WeakPolarHBondContact O-CG2 3.41Å; V88-V95 PolarHBondContact O-N 3.35Å; L90-V95 HydrophobicContact CB-CG1 4.05Å; L90-V95 HydrophobicContact CD1-CG1 3.98Å; L90-V95 HydrophobicContact CD1-CG2 4.01Å; L90-V95 HydrophobicContact CG-CG1 4.03Å; L90-V95 HydrophobicContact CG-CG2 3.79Å; T93-V95 PolarHBondContact O-N 3.36Å
96Q93.3Very high93.4Very high113 Ų11369.8 Ų69.853%0.52839%0.386SS..EExtended strand (participates in β ladder)trans-145.3138.7178.7-169.8176.6-2.400110.4R87 V88R87-Q96 WeakPolarHBondContact CA-O 3.42Å; V88-Q96 HydrophobicContact CB-CB 4.16Å; V88-Q96 HydrophobicContact CG2-CB 4.34Å; V88-Q96 PolarHBondContact N-O 3Å; V88-Q96 PolarHBondContact O-N 2.97Å
97S94Very high93.6Very high79 Ų7967.8 Ų67.855%0.55238%0.378SS*.EExtended strand (participates in β ladder)trans-138.5129.5173.2-177.70000109.4F86F86-S97 CarbonylContact O-C 3.6Å; F86-S97 VanDerWaalsContact O-CA 3.29Å; F86-S97 WeakPolarHBondContact O-CA 3.4Å
98S94.2Very high93.8Very high28 Ų2863 Ų6320%0.19636%0.36CS..EExtended strand (participates in β ladder)trans-151.5146.1175.168.10000111.9A85 F86 R100A85-S98 WeakPolarHBondContact CA-O 3.34Å; F86-S98 PolarHBondContact N-O 3.48Å; F86-S98 PolarHBondContact O-N 3.42Å; S98-R100 PolarHBondContact OG-NE 3.49Å
99V92.9Very high94Very high93 Ų9361.4 Ų61.456%0.56435%0.35SS*.EExtended strand (participates in β ladder)trans-92.6125.4169.8-179.10000108.3C84 A85C84-V99 WeakPolarHBondContact O-CA 3.42Å; A85-V99 HydrophobicContact CB-CG2 4.15Å
100R91.4Very high94Very high143 Ų14363.5 Ų63.554%0.5436%0.357SS..EExtended strand (participates in β ladder)trans-132.7144.2-179.6-57.9-66.5-177.9-160.35.7110.2S83 C84 F86 S98 L102S83-R100 VanDerWaalsContact CA-O 3.29Å; S83-R100 WeakPolarHBondContact CA-O 3.37Å; C84-R100 PolarHBondContact N-O 2.91Å; C84-R100 PolarHBondContact O-N 3.07Å; F86-R100 HydrophobicContact CD2-CB 3.96Å; F86-R100 HydrophobicContact CD2-CG 4.16Å; F86-R100 HydrophobicContact CE2-CB 3.79Å; F86-R100 HydrophobicContact CE2-CG 4.46Å; S98-R100 PolarHBondContact OG-NE 3.49Å; R100-L102 PolarHBondContact O-N 2.9Å
101P90.6Very high94.2Very high80 Ų8060.8 Ų60.852%0.51934%0.343SS..EExtended strand (participates in β ladder)trans-62.5124.6165.428.5-32.1000108K81K81-P101 HydrophobicContact CD-CB 4.22Å
102L90.7Very high94.4Very high68 Ų6862 Ų6236%0.35634%0.34SS..EExtended strand (participates in β ladder)trans-94.3-44.8179.5174.367.8000110.6L82 F86 R100 F357L82-L102 PolarHBondContact O-N 3.32Å; F86-L102 HydrophobicContact CZ-CB 4.36Å; F86-L102 HydrophobicContact CZ-CD1 3.9Å; R100-L102 PolarHBondContact O-N 2.9Å; L102-F357 HydrophobicContact CD2-CD1 3.42Å; L102-F357 VanDerWaalsContact CD2-CD1 3.42Å; L102-F357 HydrophobicContact CD2-CE1 3.39Å
103M92.4Very high94.7Very high66 Ų6663.6 Ų63.633%0.32533%0.329SS..EExtended strand (participates in β ladder)trans-156.2176.8-179.367.2-170.7-56.700111.8L82 V105 L353 A356L82-M103 HydrophobicContact CB-CG 4.01Å; L82-M103 HydrophobicContact CD2-CG 3.86Å; L82-M103 HydrophobicContact CD2-SD 3.99Å; L82-M103 HydrophobicContact CG-CG 4.37Å; L82-M103 PolarHBondContact N-O 3.3Å; L82-M103 PolarHBondContact O-N 3.32Å; M103-V105 HydrophobicContact CG-CG2 4.38Å; M103-L353 HydrophobicContact CE-CD1 4.03Å; M103-L353 HydrophobicContact SD-CD1 3.27Å; M103-L353 WeakPolarHBondContact SD-CD1 3.47Å; M103-A356 HydrophobicContact CE-CB 4.4Å
104E93.2Very high94.9Very high98 Ų9859.2 Ų59.246%0.45830%0.302SS..EExtended strand (participates in β ladder)trans-110.4136.9171.7-60.4-179.6127.500110.2K79 S80K79-E104 HydrophobicContact CD-CB 4.01Å; K79-E104 WeakPolarHBondContact CD-OE2 3.44Å; K79-E104 WeakPolarHBondContact CE-OE2 3.34Å; K79-E104 IonicContact NZ-OE1 3.87Å; K79-E104 IonicContact NZ-OE2 3.78Å; K79-E104 PolarHBondContact NZ-OE2 3.39Å; S80-E104 CarbonylContact O-C 3.57Å; S80-E104 WeakPolarHBondContact O-CA 3.5Å
105V95Very high95.1Very high9 Ų958 Ų586%0.05529%0.29CS..EExtended strand (participates in β ladder)trans-117.2122.5-178.1-178.20000108.4F16 K79 S80 L82 M103 I107F16-V105 HydrophobicContact CE1-CG1 4Å; F16-V105 HydrophobicContact CZ-CG1 4.05Å; K79-V105 CarbonylContact C-O 3.59Å; K79-V105 VanDerWaalsContact CA-O 3.29Å; K79-V105 WeakPolarHBondContact CA-O 3.39Å; K79-V105 WeakPolarHBondContact CB-O 3.36Å; S80-V105 PolarHBondContact N-O 3.24Å; S80-V105 PolarHBondContact O-N 2.97Å; L82-V105 HydrophobicContact CB-CG2 3.78Å; L82-V105 HydrophobicContact CD2-CG2 4.12Å; M103-V105 HydrophobicContact CG-CG2 4.38Å; V105-I107 PolarHBondContact O-N 3.22Å
106P97.2Very high95.2Very high46 Ų4654 Ų5430%0.29927%0.266SS..EExtended strand (participates in β ladder)trans-56.4134.3169.2-24.534.8000110.8Y78 F138 I140Y78-P106 WeakPolarHBondContact O-CA 2.95Å; P106-F138 HydrophobicContact CB-CD1 3.7Å; P106-F138 HydrophobicContact CB-CE1 4.21Å; P106-F138 HydrophobicContact CB-CG 4.49Å; P106-F138 WeakPolarHBondContact O-CE1 3.4Å; P106-I140 HydrophobicContact CB-CD1 3.85Å; P106-I140 HydrophobicContact CG-CD1 3.95Å
107I98.1Very high95.2Very high0 Ų051.1 Ų51.10%025%0.252CS..PPolyproline II helixtrans-98.7129.7-179.5-61-52000109F13 V49 P52 Y78 V105 R113 C114F13-I107 HydrophobicContact CZ-CD1 4.43Å; V49-I107 HydrophobicContact CG1-CD1 3.88Å; P52-I107 HydrophobicContact CG-CB 3.94Å; P52-I107 HydrophobicContact CG-CG1 3.59Å; P52-I107 HydrophobicContact CG-CG2 4.35Å; Y78-I107 HydrophobicContact CD1-CB 3.91Å; Y78-I107 HydrophobicContact CD1-CG2 4.27Å; Y78-I107 WeakPolarHBondContact CD1-O 3.44Å; Y78-I107 HydrophobicContact CE1-CB 3.85Å; Y78-I107 HydrophobicContact CE1-CG2 3.75Å; Y78-I107 PolarHBondContact O-N 2.92Å; V105-I107 PolarHBondContact O-N 3.22Å; I107-R113 HydrophobicContact CD1-CB 4.05Å; I107-R113 HydrophobicContact CG2-CB 4.07Å; I107-R113 WeakPolarHBondContact CG2-O 3.29Å; I107-C114 HydrophobicContact CG2-CB 4.09Å
108M98.3Very high95.2Very high0 Ų055.8 Ų55.80%026%0.262CS..PPolyproline II helixtrans-71.4130.4175.9-176.4175.6-7600109.7H9 L10 F13 R110 S111 C114 Y137 F138 P345H9-M108 HydrophobicContact CB-CE 4.12Å; H9-M108 HydrophobicContact CB-SD 4.03Å; L10-M108 HydrophobicContact CD2-CG 4.33Å; L10-M108 HydrophobicContact CD2-SD 4.12Å; F13-M108 HydrophobicContact CB-CB 4.19Å; F13-M108 HydrophobicContact CB-CE 3.86Å; F13-M108 HydrophobicContact CB-SD 3.56Å; F13-M108 VanDerWaalsContact CB-SD 3.56Å; F13-M108 HydrophobicContact CD1-CB 3.67Å; F13-M108 HydrophobicContact CD2-CB 3.8Å; F13-M108 HydrophobicContact CD2-CE 4.1Å; F13-M108 HydrophobicContact CD2-SD 4.5Å; F13-M108 HydrophobicContact CE1-CB 3.91Å; F13-M108 HydrophobicContact CE2-CB 4.06Å; F13-M108 HydrophobicContact CG-CB 3.59Å; F13-M108 HydrophobicContact CG-CE 4.2Å; F13-M108 HydrophobicContact CG-CG 4.43Å; F13-M108 HydrophobicContact CG-SD 4.04Å; F13-M108 HydrophobicContact CZ-CB 4.1Å; M108-R110 PolarHBondContact O-N 3.14Å; M108-S111 VanDerWaalsContact O-CB 3.27Å; M108-S111 WeakPolarHBondContact O-CB 3.32Å; M108-S111 PolarHBondContact O-N 2.93Å; M108-S111 VanDerWaalsContact O-N 3.13Å; M108-S111 PolarHBondContact O-OG 3.11Å; M108-C114 WeakPolarHBondContact O-CB 3.43Å; M108-Y137 WeakPolarHBondContact CA-O 3.46Å; M108-F138 HydrophobicContact CB-CD1 4.32Å; M108-F138 HydrophobicContact CB-CE1 3.75Å; M108-F138 HydrophobicContact CB-CZ 3.92Å; M108-F138 HydrophobicContact CE-CE2 3.56Å; M108-F138 HydrophobicContact CE-CZ 3.58Å; M108-F138 HydrophobicContact CG-CZ 4.48Å; M108-P345 HydrophobicContact CE-CB 4.32Å
109V98.2Very high95.2Very high0 Ų056.7 Ų56.70%026%0.264CS..THydrogen-bonded Turntrans-60.1135.9178178.30000109.3L10 P68 S111 L116 E133 G135 G136 Y137 I139L10-V109 WeakPolarHBondContact CD2-O 3.27Å; P68-V109 HydrophobicContact CB-CG2 4.26Å; P68-V109 HydrophobicContact CG-CG2 4.42Å; V109-S111 PolarHBondContact O-N 3.09Å; V109-L116 HydrophobicContact CG1-CD1 4.14Å; V109-E133 HydrophobicContact CG1-CG 4.34Å; V109-G135 WeakPolarHBondContact O-CA 3.41Å; V109-G136 PolarHBondContact O-N 3.49Å; V109-G136 VanDerWaalsContact O-N 3.12Å; V109-Y137 HydrophobicContact CB-CD2 4.49Å; V109-Y137 HydrophobicContact CB-CE1 4.49Å; V109-Y137 HydrophobicContact CB-CE2 4.14Å; V109-Y137 HydrophobicContact CG1-CE2 4.47Å; V109-Y137 HydrophobicContact CG2-CD2 4.14Å; V109-Y137 HydrophobicContact CG2-CE2 3.77Å; V109-Y137 PolarHBondContact N-O 3.09Å; V109-I139 HydrophobicContact CG2-CD1 4.09Å; V109-I139 HydrophobicContact CG2-CG1 4.27Å
110R96.5Very high95.4Very high58 Ų5854.2 Ų54.222%0.21925%0.251CS..THydrogen-bonded Turntrans65.39-174.3-57.5-89.4-84.5163.3-4.9116.3L10 M108 C114 L116 E117 M119 E133L10-R110 HydrophobicContact CD2-CB 4.07Å; M108-R110 PolarHBondContact O-N 3.14Å; R110-C114 PolarHBondContact N-SG 3.21Å; R110-C114 VanDerWaalsContact N-SG 3.36Å; R110-L116 WeakPolarHBondContact CD-O 3.36Å; R110-L116 HydrophobicContact CG-CB 4.28Å; R110-L116 PolarHBondContact NH1-O 2.82Å; R110-E117 PolarHBondContact NH1-O 2.86Å; R110-M119 PolarHBondContact NH1-O 3.21Å; R110-E133 HydrophobicContact CG-CG 3.87Å; R110-E133 PolarHBondContact NE-O 3.23Å; R110-E133 PolarHBondContact NH2-O 3.36Å
111S97.2Very high95.6Very high0 Ų050 Ų500%024%0.242CC..SBendtrans-78.5172.7169.7710000113.2F13 M108 V109 R113 C114 E117F13-S111 VanDerWaalsContact CD1-CB 3.42Å; F13-S111 WeakPolarHBondContact CD1-OG 3.07Å; F13-S111 WeakPolarHBondContact CE1-OG 3.28Å; M108-S111 VanDerWaalsContact O-CB 3.27Å; M108-S111 WeakPolarHBondContact O-CB 3.32Å; M108-S111 PolarHBondContact O-N 2.93Å; M108-S111 VanDerWaalsContact O-N 3.13Å; M108-S111 PolarHBondContact O-OG 3.11Å; V109-S111 PolarHBondContact O-N 3.09Å; S111-R113 PolarHBondContact O-N 3.45Å; S111-C114 WeakPolarHBondContact O-CA 3.42Å; S111-C114 VanDerWaalsContact O-CB 3.28Å; S111-C114 WeakPolarHBondContact O-CB 3.41Å; S111-C114 PolarHBondContact O-N 2.98Å; S111-E117 WeakPolarHBondContact O-CB 3.48Å
112R96.3Very high95.9Very high115 Ų11551.9 Ų51.943%0.43424%0.244SC..THydrogen-bonded Turntrans-59.2-13.5179.9-78.6-179.5-175.7-172.315.9116.7N14 L17 E18 Y51 E117N14-R112 HydrophobicContact CB-CG 4.46Å; N14-R112 WeakPolarHBondContact OD1-CB 3.09Å; N14-R112 WeakPolarHBondContact OD1-CG 3.33Å; N14-R112 PolarHBondContact OD1-N 2.78Å; L17-R112 HydrophobicContact CD1-CB 4.26Å; E18-R112 IonicContact OE1-CZ 3.57Å; E18-R112 VanDerWaalsContact OE1-CZ 3.32Å; E18-R112 IonicContact OE1-NH1 3.39Å; E18-R112 PolarHBondContact OE1-NH1 3.33Å; E18-R112 IonicContact OE1-NH2 2.83Å; Y51-R112 PolarHBondContact OH-O 3.22Å; R112-E117 WeakPolarHBondContact CA-OE2 3.46Å; R112-E117 WeakPolarHBondContact CG-OE1 3.46Å
113R96.4Very high96.3Very high90 Ų9053.1 Ų53.134%0.3425%0.248SC..THydrogen-bonded Turntrans-109.96.1173.8-65.7-64.6177.7-171.20.3112.9L17 V49 Y51 P52 I107 S111L17-R113 HydrophobicContact CD1-CB 4.13Å; L17-R113 HydrophobicContact CD1-CG 3.57Å; L17-R113 HydrophobicContact CD2-CG 3.91Å; L17-R113 HydrophobicContact CG-CG 4.34Å; V49-R113 HydrophobicContact CG1-CG 4.28Å; V49-R113 PolarHBondContact O-NE 3.46Å; Y51-R113 WeakPolarHBondContact CD1-O 3.32Å; P52-R113 VanDerWaalsContact CD-O 3.29Å; P52-R113 WeakPolarHBondContact CD-O 3.41Å; I107-R113 HydrophobicContact CD1-CB 4.05Å; I107-R113 HydrophobicContact CG2-CB 4.07Å; I107-R113 WeakPolarHBondContact CG2-O 3.29Å; S111-R113 PolarHBondContact O-N 3.45Å
114C97.9Very high96.5Very high2 Ų250 Ų501%0.01423%0.233CC..SBendtrans-95.5139.8171-1770000109.4Y78 I107 M108 R110 S111 L116 E117Y78-C114 HydrophobicContact CE1-CB 4.21Å; Y78-C114 PolarHBondContact OH-SG 3.42Å; I107-C114 HydrophobicContact CG2-CB 4.09Å; M108-C114 WeakPolarHBondContact O-CB 3.43Å; R110-C114 PolarHBondContact N-SG 3.21Å; R110-C114 VanDerWaalsContact N-SG 3.36Å; S111-C114 WeakPolarHBondContact O-CA 3.42Å; S111-C114 VanDerWaalsContact O-CB 3.28Å; S111-C114 WeakPolarHBondContact O-CB 3.41Å; S111-C114 PolarHBondContact O-N 2.98Å; C114-L116 PolarHBondContact O-N 3.09Å; C114-L116 VanDerWaalsContact O-N 3.13Å; C114-L116 PolarHBondContact SG-N 2.79Å; C114-E117 PolarHBondContact O-N 3.29Å
115Y97.2Very high96.7Very high46 Ų4649.5 Ų49.518%0.1824%0.236CC..THydrogen-bonded Turntrans-63.7-18176.7-70.3-66.3000113.5Y51 P52 K65 L66 L67 Y78 M119Y51-Y115 VanDerWaalsContact CB-CZ 3.49Å; Y51-Y115 VanDerWaalsContact CB-OH 3.23Å; Y51-Y115 WeakPolarHBondContact CB-OH 3.37Å; Y51-Y115 AromaticContact CD1-CD1 3.79Å; Y51-Y115 HydrophobicContact CD1-CD1 3.79Å; Y51-Y115 HydrophobicContact CD1-CD2 4.41Å; Y51-Y115 AromaticContact CD1-CE1 3.58Å; Y51-Y115 HydrophobicContact CD1-CE1 3.58Å; Y51-Y115 HydrophobicContact CD1-CE2 4.24Å; Y51-Y115 HydrophobicContact CD1-CG 4.2Å; Y51-Y115 AromaticContact CD1-CZ 3.83Å; Y51-Y115 HydrophobicContact CE1-CD1 4.14Å; Y51-Y115 HydrophobicContact CE1-CE1 4.22Å; Y51-Y115 AromaticContact CG-CE1 3.88Å; Y51-Y115 HydrophobicContact CG-CE1 3.88Å; Y51-Y115 AromaticContact CG-CZ 3.88Å; P52-Y115 VanDerWaalsContact O-CE2 3.32Å; P52-Y115 WeakPolarHBondContact O-CE2 3.27Å; K65-Y115 HydrophobicContact CB-CD2 4.26Å; K65-Y115 HydrophobicContact CB-CE1 4.49Å; K65-Y115 HydrophobicContact CB-CE2 3.72Å; K65-Y115 HydrophobicContact CD-CD1 4.14Å; K65-Y115 HydrophobicContact CD-CE1 3.85Å; K65-Y115 HydrophobicContact CG-CE1 3.94Å; K65-Y115 HydrophobicContact CG-CE2 4.04Å; L66-Y115 WeakPolarHBondContact O-CD2 3.45Å; L67-Y115 HydrophobicContact CD2-CD2 4.19Å; L67-Y115 HydrophobicContact CD2-CG 4.39Å; Y78-Y115 PolarHBondContact OH-N 3.48Å; Y115-M119 WeakPolarHBondContact O-CE 3.39Å
116L97.4Very high96.8Very high0 Ų056.4 Ų56.40%027%0.269CS..THydrogen-bonded Turntrans-85.6-7.9-176.6-51.3-173000114.6P68 V109 R110 C114 K118 M119 L124 L127 E129 E133P68-L116 HydrophobicContact CB-CD1 4.39Å; P68-L116 HydrophobicContact CG-CD1 3.75Å; P68-L116 HydrophobicContact CG-CG 4.05Å; V109-L116 HydrophobicContact CG1-CD1 4.14Å; R110-L116 WeakPolarHBondContact CD-O 3.36Å; R110-L116 HydrophobicContact CG-CB 4.28Å; R110-L116 PolarHBondContact NH1-O 2.82Å; C114-L116 PolarHBondContact O-N 3.09Å; C114-L116 VanDerWaalsContact O-N 3.13Å; C114-L116 PolarHBondContact SG-N 2.79Å; L116-K118 VanDerWaalsContact C-N 3.32Å; L116-K118 PolarHBondContact O-N 2.82Å; L116-K118 VanDerWaalsContact O-N 3.1Å; L116-M119 HydrophobicContact CD2-SD 3.6Å; L116-M119 PolarHBondContact O-N 2.99Å; L116-L124 HydrophobicContact CB-CD2 4.13Å; L116-L124 HydrophobicContact CD1-CD2 4.29Å; L116-L124 HydrophobicContact CD2-CD2 4.13Å; L116-L124 HydrophobicContact CG-CD2 4.41Å; L116-L127 HydrophobicContact CD2-CD1 4.24Å; L116-E129 HydrophobicContact CD1-CB 4.49Å; L116-E129 HydrophobicContact CD1-CG 3.67Å; L116-E129 HydrophobicContact CD2-CG 4.15Å; L116-E133 HydrophobicContact CD1-CG 4.44Å
117E94.7Very high96.8Very high53 Ų5356.7 Ų56.725%0.24827%0.268CS..THydrogen-bonded Turntrans-44.9-49.9-167.7-168.7-159.7172.100114.3R110 S111 R112 C114R110-E117 PolarHBondContact NH1-O 2.86Å; S111-E117 WeakPolarHBondContact O-CB 3.48Å; R112-E117 WeakPolarHBondContact CA-OE2 3.46Å; R112-E117 WeakPolarHBondContact CG-OE1 3.46Å; C114-E117 PolarHBondContact O-N 3.29Å
118K92.5Very high96.7Very high176 Ų17665 Ų6577%0.76530%0.3SS*.THydrogen-bonded Turntrans-120.720.9-172.3-61.8-178.3-178.4176.90113.1L116L116-K118 VanDerWaalsContact C-N 3.32Å; L116-K118 PolarHBondContact O-N 2.82Å; L116-K118 VanDerWaalsContact O-N 3.1Å
119M95.6Very high96.7Very high48 Ų4865.7 Ų65.724%0.23630%0.303CS..  trans-73.2142.3177.6-73.5-179.2168.800111.2R110 Y115 L116 Q123 L124 L127R110-M119 PolarHBondContact NH1-O 3.21Å; Y115-M119 WeakPolarHBondContact O-CE 3.39Å; L116-M119 HydrophobicContact CD2-SD 3.6Å; L116-M119 PolarHBondContact O-N 2.99Å; M119-Q123 VanDerWaalsContact CA-OE1 3.31Å; M119-Q123 HydrophobicContact CB-CB 4.07Å; M119-Q123 HydrophobicContact CG-CB 4.39Å; M119-L124 HydrophobicContact CB-CD2 3.98Å; M119-L124 HydrophobicContact CB-CG 4.12Å; M119-L127 HydrophobicContact CE-CD1 3.47Å; M119-L127 VanDerWaalsContact CE-CD1 3.47Å; M119-L127 HydrophobicContact SD-CD1 3.43Å; M119-L127 WeakPolarHBondContact SD-CD1 3.27Å
120S95.9Very high96.5Very high40 Ų4071.9 Ų71.928%0.2833%0.332SS..  trans-72.5160.5173.482.80000111.1E122 Q123 L124S120-E122 VanDerWaalsContact CB-OE2 3.25Å; S120-E122 WeakPolarHBondContact CB-OE2 3.34Å; S120-E122 PolarHBondContact O-N 2.83Å; S120-E122 PolarHBondContact OG-OE2 3.47Å; S120-Q123 WeakPolarHBondContact O-CB 3.36Å; S120-Q123 PolarHBondContact O-N 2.89Å; S120-Q123 VanDerWaalsContact O-N 3.09Å; S120-Q123 WeakPolarHBondContact OG-CG 3.4Å; S120-Q123 PolarHBondContact OG-N 3.37Å; S120-L124 WeakPolarHBondContact O-CG 3.12Å; S120-L124 PolarHBondContact O-N 2.99Å
121P96Very high96.5Very high54 Ų5474.6 Ų74.635%0.35135%0.347SS..Hα-helixtrans-50.9-42.1175.2-28.537.4000113.4L124 V125 E131P121-L124 PolarHBondContact O-N 3.41Å; P121-V125 WeakPolarHBondContact O-CG2 3.47Å; P121-V125 PolarHBondContact O-N 3.08Å; P121-V125 VanDerWaalsContact O-N 3.11Å; P121-E131 HydrophobicContact CB-CG 3.62Å
122E97.7Very high96.2Very high120 Ų12081.8 Ų81.856%0.56138%0.378SS*.Hα-helixtrans-67-40.6179.4-52.875.6-163.700111.7S120 L124 V125 M126S120-E122 VanDerWaalsContact CB-OE2 3.25Å; S120-E122 WeakPolarHBondContact CB-OE2 3.34Å; S120-E122 PolarHBondContact O-N 2.83Å; S120-E122 PolarHBondContact OG-OE2 3.47Å; E122-L124 VanDerWaalsContact C-N 3.34Å; E122-V125 PolarHBondContact O-N 3.39Å; E122-M126 WeakPolarHBondContact O-CG 3.42Å; E122-M126 PolarHBondContact O-N 2.93Å
123Q97.7Very high96.1Very high95 Ų9576.8 Ų76.844%0.44436%0.36SS..Hα-helixtrans-64.9-38.7176.4-70.3175.6-26.700111.7M119 S120 M126 L127M119-Q123 VanDerWaalsContact CA-OE1 3.31Å; M119-Q123 HydrophobicContact CB-CB 4.07Å; M119-Q123 HydrophobicContact CG-CB 4.39Å; S120-Q123 WeakPolarHBondContact O-CB 3.36Å; S120-Q123 PolarHBondContact O-N 2.89Å; S120-Q123 VanDerWaalsContact O-N 3.09Å; S120-Q123 WeakPolarHBondContact OG-CG 3.4Å; S120-Q123 PolarHBondContact OG-N 3.37Å; Q123-M126 PolarHBondContact O-N 3.47Å; Q123-L127 WeakPolarHBondContact O-CG 3.44Å; Q123-L127 PolarHBondContact O-N 3.36Å; Q123-L127 VanDerWaalsContact O-N 3.13Å
124L97.8Very high95.9Very high1 Ų178.3 Ų78.31%0.00537%0.369CS..Hα-helixtrans-61-48.5175.7-69.4170.5000110.8L116 M119 S120 P121 E122 M126 L127 R128 E129 E133L116-L124 HydrophobicContact CB-CD2 4.13Å; L116-L124 HydrophobicContact CD1-CD2 4.29Å; L116-L124 HydrophobicContact CD2-CD2 4.13Å; L116-L124 HydrophobicContact CG-CD2 4.41Å; M119-L124 HydrophobicContact CB-CD2 3.98Å; M119-L124 HydrophobicContact CB-CG 4.12Å; S120-L124 WeakPolarHBondContact O-CG 3.12Å; S120-L124 PolarHBondContact O-N 2.99Å; P121-L124 PolarHBondContact O-N 3.41Å; E122-L124 VanDerWaalsContact C-N 3.34Å; L124-M126 VanDerWaalsContact C-N 3.34Å; L124-M126 PolarHBondContact O-N 3.16Å; L124-L127 CarbonylContact O-C 3.52Å; L124-L127 WeakPolarHBondContact O-CA 3.45Å; L124-L127 PolarHBondContact O-N 3.41Å; L124-R128 PolarHBondContact O-N 3.13Å; L124-E129 HydrophobicContact CB-CB 4.18Å; L124-E129 HydrophobicContact CD2-CB 4.18Å; L124-E129 PolarHBondContact O-N 3.13Å; L124-E133 HydrophobicContact CD1-CB 4.19Å
125V97.7Very high95.8Very high86 Ų8678.6 Ų78.652%0.52137%0.372SS..Hα-helixtrans-60.7-42.2177.7174.60000111.5P121 E122 L127 R128 E131P121-V125 WeakPolarHBondContact O-CG2 3.47Å; P121-V125 PolarHBondContact O-N 3.08Å; P121-V125 VanDerWaalsContact O-N 3.11Å; E122-V125 PolarHBondContact O-N 3.39Å; V125-L127 PolarHBondContact O-N 3.21Å; V125-R128 PolarHBondContact O-N 3.17Å; V125-E131 HydrophobicContact CG2-CB 3.95Å; V125-E131 HydrophobicContact CG2-CG 4.44Å
126M97.5Very high95.8Very high154 Ų15476.5 Ų76.576%0.75937%0.365SS*.Hα-helixtrans-59.9-32.1175.2-72.9-178.5-168.100112.8E122 Q123 L124 R128E122-M126 WeakPolarHBondContact O-CG 3.42Å; E122-M126 PolarHBondContact O-N 2.93Å; Q123-M126 PolarHBondContact O-N 3.47Å; L124-M126 VanDerWaalsContact C-N 3.34Å; L124-M126 PolarHBondContact O-N 3.16Å; M126-R128 VanDerWaalsContact C-N 3.3Å
127L96.1Very high95.8Very high53 Ų5377.7 Ų77.728%0.27737%0.37SS..THydrogen-bonded Turntrans-89.811.5176.3-63.4-176.6000113.8L67 L116 M119 Q123 L124 V125 E129L67-L127 HydrophobicContact CD1-CD1 4.34Å; L67-L127 HydrophobicContact CD1-CD2 3.95Å; L67-L127 HydrophobicContact CD2-CD1 4.45Å; L116-L127 HydrophobicContact CD2-CD1 4.24Å; M119-L127 HydrophobicContact CE-CD1 3.47Å; M119-L127 VanDerWaalsContact CE-CD1 3.47Å; M119-L127 HydrophobicContact SD-CD1 3.43Å; M119-L127 WeakPolarHBondContact SD-CD1 3.27Å; Q123-L127 WeakPolarHBondContact O-CG 3.44Å; Q123-L127 PolarHBondContact O-N 3.36Å; Q123-L127 VanDerWaalsContact O-N 3.13Å; L124-L127 CarbonylContact O-C 3.52Å; L124-L127 WeakPolarHBondContact O-CA 3.45Å; L124-L127 PolarHBondContact O-N 3.41Å; V125-L127 PolarHBondContact O-N 3.21Å; L127-E129 PolarHBondContact O-N 3.45Å
128R97Very high96Very high175 Ų17575.7 Ų75.766%0.6636%0.36SS*.THydrogen-bonded Turntrans63.425.1-179.8-49.7179.9176.3-155.71.3114.2Y69 L124 V125 M126Y69-R128 HydrophobicContact CD1-CB 4.24Å; Y69-R128 HydrophobicContact CD2-CB 3.72Å; Y69-R128 WeakPolarHBondContact CD2-O 3.48Å; Y69-R128 HydrophobicContact CE1-CB 4.32Å; Y69-R128 HydrophobicContact CE2-CB 3.78Å; Y69-R128 HydrophobicContact CG-CB 3.97Å; Y69-R128 PolarHBondContact OH-NH1 3.18Å; L124-R128 PolarHBondContact O-N 3.13Å; V125-R128 PolarHBondContact O-N 3.17Å; M126-R128 VanDerWaalsContact C-N 3.3Å
129E97.3Very high96.3Very high14 Ų1467.3 Ų67.37%0.06532%0.324CS..SBendtrans-94.3165.4168.6-58.3-69.5169.800109.7P68 Y69 R72 L116 L124 L127P68-E129 WeakPolarHBondContact CB-OE1 3.25Å; Y69-E129 WeakPolarHBondContact CB-OE1 3.2Å; Y69-E129 PolarHBondContact N-OE1 3.12Å; R72-E129 IonicContact CZ-OE2 2.76Å; R72-E129 IonicContact NH1-OE1 2.64Å; R72-E129 PolarHBondContact NH1-OE1 3.2Å; R72-E129 IonicContact NH1-OE2 3.22Å; R72-E129 PolarHBondContact NH1-OE2 3.39Å; R72-E129 IonicContact NH2-OE2 2.75Å; R72-E129 PolarHBondContact NH2-OE2 2.83Å; L116-E129 HydrophobicContact CD1-CB 4.49Å; L116-E129 HydrophobicContact CD1-CG 3.67Å; L116-E129 HydrophobicContact CD2-CG 4.15Å; L124-E129 HydrophobicContact CB-CB 4.18Å; L124-E129 HydrophobicContact CD2-CB 4.18Å; L124-E129 PolarHBondContact O-N 3.13Å; L127-E129 PolarHBondContact O-N 3.45Å
130E95.1Very high96.4Very high130 Ų13067 Ų6761%0.60732%0.323SS*.  trans-67.4141.4174.3-66.8-177.9179.300111.3K132 E133E130-K132 PolarHBondContact O-N 2.94Å; E130-K132 VanDerWaalsContact O-N 3.11Å; E130-E133 WeakPolarHBondContact O-CB 3.49Å; E130-E133 PolarHBondContact O-N 3.47Å; E130-E133 VanDerWaalsContact O-N 3.1Å
131E95Very high96.5Very high114 Ų11470.5 Ų70.553%0.53334%0.338SS..THydrogen-bonded Turntrans-52.4-36.3177.1-175.7-169.9166.900112.2P121 V125P121-E131 HydrophobicContact CB-CG 3.62Å; V125-E131 HydrophobicContact CG2-CB 3.95Å; V125-E131 HydrophobicContact CG2-CG 4.44Å
132K92.5Very high96.6Very high151 Ų15168.8 Ų68.866%0.65733%0.33SS*.THydrogen-bonded Turntrans-11237.3-178.7-62.3-174.4179.7-179.50112.6E130 F134E130-K132 PolarHBondContact O-N 2.94Å; E130-K132 VanDerWaalsContact O-N 3.11Å; K132-F134 WeakPolarHBondContact O-CD2 3.31Å; K132-F134 WeakPolarHBondContact O-CE2 3.5Å; K132-F134 PolarHBondContact O-N 3.33Å
133E94.2Very high96.6Very high10 Ų1067.1 Ų67.15%0.04733%0.328CS..  trans-54.2112.3176.7176.756-103.500111.8R72 V109 R110 L116 L124 E130 G135 Y137R72-E133 IonicContact NH2-OE2 3.48Å; V109-E133 HydrophobicContact CG1-CG 4.34Å; R110-E133 HydrophobicContact CG-CG 3.87Å; R110-E133 PolarHBondContact NE-O 3.23Å; R110-E133 PolarHBondContact NH2-O 3.36Å; L116-E133 HydrophobicContact CD1-CG 4.44Å; L124-E133 HydrophobicContact CD1-CB 4.19Å; E130-E133 WeakPolarHBondContact O-CB 3.49Å; E130-E133 PolarHBondContact O-N 3.47Å; E130-E133 VanDerWaalsContact O-N 3.1Å; E133-G135 WeakPolarHBondContact OE1-CA 3.47Å; E133-G135 PolarHBondContact OE1-N 2.9Å; E133-Y137 VanDerWaalsContact OE1-CE1 3.3Å; E133-Y137 WeakPolarHBondContact OE1-CE1 3.24Å; E133-Y137 PolarHBondContact OE1-OH 3.33Å; E133-Y137 PolarHBondContact OE2-OH 2.97Å
134F92.1Very high96.6Very high122 Ų12267.3 Ų67.354%0.53533%0.329SS..  trans-80.3-32.4-177.4-58.2-79.1000112.3A6 K132A6-F134 HydrophobicContact CB-CB 4.31Å; K132-F134 WeakPolarHBondContact O-CD2 3.31Å; K132-F134 WeakPolarHBondContact O-CE2 3.5Å; K132-F134 PolarHBondContact O-N 3.33Å
135G95.7Very high96.6Very high8 Ų872.8 Ų72.88%0.08235%0.353CS..  trans64.5-154-169.900000113.3V109 E133 Y137V109-G135 WeakPolarHBondContact O-CA 3.41Å; E133-G135 WeakPolarHBondContact OE1-CA 3.47Å; E133-G135 PolarHBondContact OE1-N 2.9Å; G135-Y137 WeakPolarHBondContact O-CD1 3.39Å
136G96.2Very high96.5Very high3 Ų372.9 Ų72.93%0.03135%0.353CS..  trans874.3-17900000114.9H9 V109H9-G136 PolarHBondContact CD2-O 3.03Å; V109-G136 PolarHBondContact O-N 3.49Å; V109-G136 VanDerWaalsContact O-N 3.12Å
137Y97.6Very high96.5Very high25 Ų2567.4 Ų67.410%0.09833%0.329CS..  trans-125172.4176.960.3-90.1000111.4R72 M108 V109 E133 G135 I139 E144R72-Y137 PolarHBondContact NH2-OH 3.04Å; M108-Y137 WeakPolarHBondContact CA-O 3.46Å; V109-Y137 HydrophobicContact CB-CD2 4.49Å; V109-Y137 HydrophobicContact CB-CE1 4.49Å; V109-Y137 HydrophobicContact CB-CE2 4.14Å; V109-Y137 HydrophobicContact CG1-CE2 4.47Å; V109-Y137 HydrophobicContact CG2-CD2 4.14Å; V109-Y137 HydrophobicContact CG2-CE2 3.77Å; V109-Y137 PolarHBondContact N-O 3.09Å; E133-Y137 VanDerWaalsContact OE1-CE1 3.3Å; E133-Y137 WeakPolarHBondContact OE1-CE1 3.24Å; E133-Y137 PolarHBondContact OE1-OH 3.33Å; E133-Y137 PolarHBondContact OE2-OH 2.97Å; G135-Y137 WeakPolarHBondContact O-CD1 3.39Å; Y137-I139 HydrophobicContact CE2-CG1 4.29Å; Y137-E144 HydrophobicContact CD2-CB 3.95Å; Y137-E144 HydrophobicContact CD2-CG 3.89Å; Y137-E144 HydrophobicContact CE2-CB 4.27Å; Y137-E144 VanDerWaalsContact CE2-CD 3.49Å; Y137-E144 HydrophobicContact CE2-CG 3.7Å; Y137-E144 WeakPolarHBondContact CE2-OE1 3.41Å
138F98.5Very high96.4Very high10 Ų1074.8 Ų74.84%0.04435%0.353CS..EExtended strand (participates in β ladder)trans-115.4149.5177.3-62.1-85.3000110.1F13 P106 M108 I140 E144 K145 V147 L349F13-F138 HydrophobicContact CD2-CE1 4.03Å; F13-F138 AromaticContact CD2-CZ 3.7Å; F13-F138 HydrophobicContact CD2-CZ 3.7Å; F13-F138 AromaticContact CE2-CE1 3.52Å; F13-F138 HydrophobicContact CE2-CE1 3.52Å; F13-F138 AromaticContact CE2-CZ 3.64Å; F13-F138 HydrophobicContact CE2-CZ 3.64Å; F13-F138 HydrophobicContact CZ-CE1 4.15Å; P106-F138 HydrophobicContact CB-CD1 3.7Å; P106-F138 HydrophobicContact CB-CE1 4.21Å; P106-F138 HydrophobicContact CB-CG 4.49Å; P106-F138 WeakPolarHBondContact O-CE1 3.4Å; M108-F138 HydrophobicContact CB-CD1 4.32Å; M108-F138 HydrophobicContact CB-CE1 3.75Å; M108-F138 HydrophobicContact CB-CZ 3.92Å; M108-F138 HydrophobicContact CE-CE2 3.56Å; M108-F138 HydrophobicContact CE-CZ 3.58Å; M108-F138 HydrophobicContact CG-CZ 4.48Å; F138-I140 HydrophobicContact CB-CD1 4.01Å; F138-I140 HydrophobicContact CB-CG1 4.18Å; F138-E144 CarbonylContact O-C 3.57Å; F138-E144 WeakPolarHBondContact O-CA 3.32Å; F138-K145 PolarHBondContact N-O 3.33Å; F138-K145 PolarHBondContact O-N 2.91Å; F138-V147 HydrophobicContact CD2-CG2 4.25Å; F138-V147 HydrophobicContact CE2-CG2 3.86Å; F138-L349 HydrophobicContact CE1-CD1 4.45Å; F138-L349 HydrophobicContact CE2-CD1 4.43Å; F138-L349 HydrophobicContact CZ-CD1 3.69Å
139I98.7Very high96.3Very high0 Ų070 Ų700%034%0.34CS..EExtended strand (participates in β ladder)trans-102.9111.4169.2-60.2164.5000107.5P68 C71 R72 T77 Y78 V109 Y137 V143 E144P68-I139 HydrophobicContact CB-CD1 3.56Å; P68-I139 WeakPolarHBondContact O-CD1 3.37Å; C71-I139 HydrophobicContact CB-CG2 3.92Å; R72-I139 HydrophobicContact CG-CD1 3.87Å; R72-I139 HydrophobicContact CG-CG1 4.4Å; R72-I139 HydrophobicContact CG-CG2 4.37Å; T77-I139 CarbonylContact C-O 3.56Å; T77-I139 VanDerWaalsContact CA-O 3.32Å; T77-I139 WeakPolarHBondContact CA-O 3.36Å; T77-I139 WeakPolarHBondContact CG2-O 3.41Å; Y78-I139 PolarHBondContact N-O 2.64Å; V109-I139 HydrophobicContact CG2-CD1 4.09Å; V109-I139 HydrophobicContact CG2-CG1 4.27Å; Y137-I139 HydrophobicContact CE2-CG1 4.29Å; I139-V143 WeakPolarHBondContact CA-O 3.4Å; I139-E144 HydrophobicContact CG1-CG 4.35Å
140I98.4Very high96.3Very high43 Ų4373.2 Ų73.222%0.22136%0.357CS..EExtended strand (participates in β ladder)trans-117.7113.5-179.3-51.4-58.7000108.4T77 P106 F138 G142 V143 K145T77-I140 HydrophobicContact CG2-CD1 3.81Å; P106-I140 HydrophobicContact CB-CD1 3.85Å; P106-I140 HydrophobicContact CG-CD1 3.95Å; F138-I140 HydrophobicContact CB-CD1 4.01Å; F138-I140 HydrophobicContact CB-CG1 4.18Å; I140-G142 VanDerWaalsContact C-N 3.28Å; I140-G142 PolarHBondContact O-N 2.89Å; I140-V143 PolarHBondContact N-O 2.86Å; I140-V143 PolarHBondContact O-N 3.48Å; I140-K145 HydrophobicContact CB-CD 4.12Å; I140-K145 HydrophobicContact CG1-CB 4.42Å; I140-K145 HydrophobicContact CG1-CD 4.13Å; I140-K145 HydrophobicContact CG1-CG 4.42Å
141N98Very high96.3Very high113 Ų11372.8 Ų72.860%0.60436%0.357SS*.THydrogen-bonded Turntrans51.147-176.2-56.8-23.8000112.3G75 T77 V143G75-N141 VanDerWaalsContact C-C 3.43Å; G75-N141 CarbonylContact O-C 3.57Å; G75-N141 VanDerWaalsContact O-C 3.24Å; G75-N141 WeakPolarHBondContact O-CA 3.31Å; T77-N141 PolarHBondContact OG1-N 2.96Å; T77-N141 PolarHBondContact OG1-OD1 3.14Å; N141-V143 PolarHBondContact O-N 2.87Å
142G97.6Very high96.3Very high18 Ų1868.3 Ų68.319%0.18634%0.34CS..THydrogen-bonded Turntrans75.8-7.2-177.500000116I76 I140I76-G142 PolarHBondContact O-N 3.39Å; I140-G142 VanDerWaalsContact C-N 3.28Å; I140-G142 PolarHBondContact O-N 2.89Å
143V98.4Very high96.4Very high85 Ų8562.4 Ų62.452%0.51532%0.317SS..EExtended strand (participates in β ladder)trans-101.8134.4-177.9-177.10000110.7I139 I140 N141I139-V143 WeakPolarHBondContact CA-O 3.4Å; I140-V143 PolarHBondContact N-O 2.86Å; I140-V143 PolarHBondContact O-N 3.48Å; N141-V143 PolarHBondContact O-N 2.87Å
144E97.6Very high96.6Very high99 Ų9967 Ų6746%0.46333%0.334SS..EExtended strand (participates in β ladder)trans-75.2129175-62.8-178.3162.800111.3R72 Y137 F138 I139R72-E144 IonicContact CZ-OE1 3.58Å; R72-E144 IonicContact NE-OE1 3.26Å; R72-E144 PolarHBondContact NE-OE1 2.86Å; R72-E144 IonicContact NH2-OE1 3.29Å; R72-E144 PolarHBondContact NH2-OE1 2.78Å; Y137-E144 HydrophobicContact CD2-CB 3.95Å; Y137-E144 HydrophobicContact CD2-CG 3.89Å; Y137-E144 HydrophobicContact CE2-CB 4.27Å; Y137-E144 VanDerWaalsContact CE2-CD 3.49Å; Y137-E144 HydrophobicContact CE2-CG 3.7Å; Y137-E144 WeakPolarHBondContact CE2-OE1 3.41Å; F138-E144 CarbonylContact O-C 3.57Å; F138-E144 WeakPolarHBondContact O-CA 3.32Å; I139-E144 HydrophobicContact CG1-CG 4.35Å
145K97.9Very high96.8Very high115 Ų11564.5 Ų64.550%0.532%0.321SS..EExtended strand (participates in β ladder)trans-133.9132.9-178.6-64.2-164.5177.6-170.10110.7F138 I140F138-K145 PolarHBondContact N-O 3.33Å; F138-K145 PolarHBondContact O-N 2.91Å; I140-K145 HydrophobicContact CB-CD 4.12Å; I140-K145 HydrophobicContact CG1-CB 4.42Å; I140-K145 HydrophobicContact CG1-CD 4.13Å; I140-K145 HydrophobicContact CG1-CG 4.42Å
146V96.1Very high96.8Very high89 Ų8967 Ų6754%0.53933%0.332SS..  trans-107.2136.1173.9170.60000109.5
147V95.7Very high96.9Very high39 Ų3970.2 Ų70.224%0.23634%0.344CS..PPolyproline II helixtrans-80.2120.7166.21790000107.8H9 F138 P345 M348H9-V147 PolarHBondContact NE2-O 2.88Å; F138-V147 HydrophobicContact CD2-CG2 4.25Å; F138-V147 HydrophobicContact CE2-CG2 3.86Å; V147-P345 HydrophobicContact CB-CB 3.82Å; V147-P345 HydrophobicContact CB-CG 4Å; V147-P345 HydrophobicContact CG1-CB 3.91Å; V147-P345 HydrophobicContact CG1-CG 4.1Å; V147-M348 HydrophobicContact CG1-CE 4.35Å; V147-M348 HydrophobicContact CG1-SD 3.96Å
148R95.7Very high96.9Very high208 Ų20869.2 Ų69.279%0.78534%0.34SS*.PPolyproline II helixtrans-70.9144.6178.6-65.6-177179.5-178.7-0.8110.2
149L95.2Very high96.9Very high73 Ų7368.8 Ų68.838%0.38234%0.338SS..PPolyproline II helixtrans-66135.8168.9-52.5-174.7000108.6I342 L344 P345L149-I342 HydrophobicContact CB-CG2 3.81Å; L149-I342 HydrophobicContact CD1-CG2 4.19Å; L149-I342 HydrophobicContact CG-CG2 4.4Å; L149-L344 HydrophobicContact CD2-CD2 3.85Å; L149-P345 HydrophobicContact CD2-CG 4.15Å
150L95.6Very high96.9Very high82 Ų8268.8 Ų68.843%0.42934%0.338SS..EExtended strand (participates in β ladder)trans-113.9146.8177-62.9-179.7000110.2I342 L343 M348L150-I342 CarbonylContact O-C 3.55Å; L150-L343 HydrophobicContact CB-CB 4.23Å; L150-L343 PolarHBondContact N-O 3.33Å; L150-L343 WeakPolarHBondContact O-CB 3.49Å; L150-L343 PolarHBondContact O-N 2.85Å; L150-M348 HydrophobicContact CD1-CE 3.53Å; L150-M348 HydrophobicContact CD1-SD 3.86Å; L150-M348 HydrophobicContact CG-CE 4.36Å; L150-M348 HydrophobicContact CG-SD 4.16Å
151I95.3Very high96.8Very high121 Ų12167.3 Ų67.362%0.62133%0.331SS*.EExtended strand (participates in β ladder)trans-84.3131.1170.5-65.1175.6000108Q340I151-Q340 HydrophobicContact CG2-CB 3.88Å; I151-Q340 VanDerWaalsContact CG2-CD 3.45Å; I151-Q340 HydrophobicContact CG2-CG 3.74Å
152A94.4Very high96.8Very high20 Ų2065 Ų6517%0.16532%0.319CS..EExtended strand (participates in β ladder)trans-125.1162172.600000109.8Q340 E341 L343A152-Q340 CarbonylContact O-C 3.24Å; A152-Q340 VanDerWaalsContact O-CA 3.27Å; A152-Q340 WeakPolarHBondContact O-CA 3.35Å; A152-E341 HydrophobicContact CB-CG 4.11Å; A152-E341 PolarHBondContact N-O 2.98Å; A152-E341 PolarHBondContact O-N 3.3Å; A152-L343 HydrophobicContact CB-CB 4.34Å
153T96.5Very high96.8Very high27 Ų2769.4 Ų69.417%0.16633%0.33CS..EExtended strand (participates in β ladder)trans-66.8140.3171.7-44.20000110.4R155 I159 Y179 R181 L334T153-R155 PolarHBondContact O-N 3.42Å; T153-I159 HydrophobicContact CG2-CD1 3.34Å; T153-Y179 HydrophobicContact CG2-CD1 4.02Å; T153-Y179 HydrophobicContact CG2-CE1 3.62Å; T153-R181 WeakPolarHBondContact O-CD 3.42Å; T153-R181 PolarHBondContact O-NH1 3.21Å; T153-L334 HydrophobicContact CG2-CD2 3.66Å
154R97.1Very high96.7Very high107 Ų10770 Ų7040%0.40434%0.335SS..PPolyproline II helixtrans-48.6128.4176.5179.1174179.6177.8-1.4110.9A338 C339R154-A338 WeakPolarHBondContact CD-O 3.33Å; R154-A338 PolarHBondContact NH1-O 2.78Å; R154-C339 WeakPolarHBondContact CB-O 3.4Å; R154-C339 PolarHBondContact N-O 3.41Å
155R96.1Very high96.6Very high70 Ų7072.6 Ų72.626%0.26435%0.345SS..THydrogen-bonded Turntrans-73.6153.4176.670.6-172.666-170.2-0.9112.5T153 Y157 R181 V183 H187 E341T153-R155 PolarHBondContact O-N 3.42Å; R155-Y157 PolarHBondContact O-N 3.06Å; R155-Y157 VanDerWaalsContact O-N 3.13Å; R155-R181 CarbonylContact C-O 3.58Å; R155-R181 WeakPolarHBondContact CA-O 3.37Å; R155-V183 HydrophobicContact CB-CB 3.94Å; R155-V183 HydrophobicContact CB-CG2 3.48Å; R155-V183 VanDerWaalsContact CB-CG2 3.48Å; R155-H187 PolarHBondContact NH1-ND1 3.38Å; R155-E341 WeakPolarHBondContact CB-OE2 3.39Å; R155-E341 VanDerWaalsContact CG-OE2 3.24Å; R155-E341 WeakPolarHBondContact CG-OE2 3.23Å; R155-E341 IonicContact CZ-OE1 2.75Å; R155-E341 IonicContact CZ-OE2 2.91Å; R155-E341 PolarHBondContact N-OE2 2.82Å; R155-E341 VanDerWaalsContact N-OE2 3.07Å; R155-E341 VanDerWaalsContact NE-CD 3.35Å; R155-E341 IonicContact NE-OE1 3.83Å; R155-E341 PolarHBondContact NE-OE1 2.91Å; R155-E341 VanDerWaalsContact NE-OE1 3.11Å; R155-E341 IonicContact NE-OE2 2.99Å; R155-E341 PolarHBondContact NE-OE2 2.84Å; R155-E341 IonicContact NH2-OE1 3.94Å; R155-E341 PolarHBondContact NH2-OE1 2.91Å; R155-E341 IonicContact NH2-OE2 3.85Å
156N96.9Very high96.5Very high59 Ų5968 Ų6832%0.31633%0.325SS..THydrogen-bonded Turntrans54.235.2165.6-52.5-13.6000113.5R181 C182 V183 H303N156-R181 PolarHBondContact N-O 3.45Å; N156-R181 PolarHBondContact OD1-O 3.4Å; N156-C182 WeakPolarHBondContact OD1-CA 3.49Å; N156-V183 PolarHBondContact OD1-N 3.19Å; N156-H303 VanDerWaalsContact OD1-CB 3.31Å; N156-H303 WeakPolarHBondContact OD1-CB 3.47Å
157Y97.5Very high96.5Very high71 Ų7165.9 Ų65.928%0.27832%0.316SS..  trans-135.3128.5178.9-174.6-93.3000110R155 I159 K320 E332R155-Y157 PolarHBondContact O-N 3.06Å; R155-Y157 VanDerWaalsContact O-N 3.13Å; Y157-I159 HydrophobicContact CD1-CG1 3.7Å; Y157-I159 HydrophobicContact CE1-CG1 4.28Å; Y157-I159 PolarHBondContact O-N 3.44Å; Y157-K320 PolarHBondContact OH-NZ 3.17Å; Y157-E332 WeakPolarHBondContact CE1-OE1 3.3Å
158P97.9Very high96.5Very high5 Ų569.5 Ų69.53%0.03234%0.339CS..  trans-76.9100.7177.829.4-31.4000111.1I178 L180 F313 F316 K320P158-I178 HydrophobicContact CB-CG2 3.55Å; P158-L180 HydrophobicContact CB-CD2 3.75Å; P158-F313 HydrophobicContact CB-CZ 4.46Å; P158-F313 HydrophobicContact CG-CE2 4.34Å; P158-F313 HydrophobicContact CG-CZ 4.39Å; P158-F316 HydrophobicContact CG-CD1 3.95Å; P158-F316 HydrophobicContact CG-CE1 3.6Å; P158-K320 HydrophobicContact CG-CD 4.44Å; P158-K320 PolarHBondContact O-NZ 3.5Å
159I98.3Very high96.3Very high0 Ų063.3 Ų63.30%032%0.321CS..EExtended strand (participates in β ladder)trans-86.2119.5-179.8-57.3173.2000108.9T153 Y157 I161 I178 Y179 E332 L334 C339T153-I159 HydrophobicContact CG2-CD1 3.34Å; Y157-I159 HydrophobicContact CD1-CG1 3.7Å; Y157-I159 HydrophobicContact CE1-CG1 4.28Å; Y157-I159 PolarHBondContact O-N 3.44Å; I159-I161 HydrophobicContact CB-CG1 4.42Å; I159-I161 HydrophobicContact CG2-CD1 4.12Å; I159-I161 HydrophobicContact CG2-CG1 3.78Å; I159-I178 CarbonylContact O-C 3.57Å; I159-I178 WeakPolarHBondContact O-CA 3.32Å; I159-Y179 HydrophobicContact CD1-CD1 4.44Å; I159-Y179 PolarHBondContact N-O 2.84Å; I159-Y179 PolarHBondContact O-N 2.81Å; I159-E332 WeakPolarHBondContact CA-OE2 3.35Å; I159-E332 HydrophobicContact CG2-CB 3.7Å; I159-L334 HydrophobicContact CD1-CD2 3.74Å; I159-L334 HydrophobicContact CG2-CD2 4.1Å; I159-C339 HydrophobicContact CD1-CB 4.11Å
160A98.4Very high96.2Very high0 Ų061.1 Ų61.10%032%0.316CS..EExtended strand (participates in β ladder)trans-77.5121.3174.400000110.2I178 L324 V329 E332A160-I178 HydrophobicContact CB-CD1 4.05Å; A160-L324 HydrophobicContact CB-CB 4.45Å; A160-L324 HydrophobicContact CB-CD1 4.39Å; A160-L324 HydrophobicContact CB-CD2 4.02Å; A160-V329 HydrophobicContact CB-CG1 4.43Å; A160-E332 PolarHBondContact N-OE2 3.27Å; A160-E332 WeakPolarHBondContact O-CA 3.47Å; A160-E332 WeakPolarHBondContact O-CB 3.32Å; A160-E332 PolarHBondContact O-N 3.27Å
161I97.5Very high96.1Very high12 Ų1262.4 Ų62.46%0.06233%0.329CS..EExtended strand (participates in β ladder)trans-127.9137.6-173.5-52.9-171.6000110.6I159 R163 W166 Y176 G177 Y179 L334I159-I161 HydrophobicContact CB-CG1 4.42Å; I159-I161 HydrophobicContact CG2-CD1 4.12Å; I159-I161 HydrophobicContact CG2-CG1 3.78Å; I161-R163 HydrophobicContact CG2-CB 3.93Å; I161-W166 HydrophobicContact CB-CZ3 4.4Å; I161-Y176 WeakPolarHBondContact O-CA 3.35Å; I161-G177 PolarHBondContact N-O 3.07Å; I161-G177 PolarHBondContact O-N 3.47Å; I161-Y179 HydrophobicContact CD1-CD2 4.36Å; I161-Y179 HydrophobicContact CD1-CG 3.98Å; I161-L334 HydrophobicContact CD1-CD1 3.68Å; I161-L334 HydrophobicContact CD1-CD2 3.82Å; I161-L334 HydrophobicContact CD1-CG 3.7Å
162N97.3Very high96.2Very high66 Ų6661.9 Ų61.935%0.35332%0.324SS..EExtended strand (participates in β ladder)trans-104.4104.8160.3-178.5-15.8000108.7P175 Y176 P331N162-P175 CarbonylContact C-O 3.58Å; N162-P175 WeakPolarHBondContact CA-O 3.36Å; N162-P175 WeakPolarHBondContact OD1-CB 3.45Å; N162-Y176 HydrophobicContact CB-CD1 4.18Å; N162-Y176 HydrophobicContact CB-CE1 4.19Å; N162-Y176 WeakPolarHBondContact ND2-CE1 3.45Å; N162-P331 HydrophobicContact CB-CB 3.75Å; N162-P331 HydrophobicContact CB-CG 4.14Å
163R96.5Very high96.3Very high109 Ų10962.6 Ų62.641%0.41132%0.322SS..  trans-120.5104.6-178-169.7171-172.5172.73.4110.3I161 K165 W166 P175I161-R163 HydrophobicContact CG2-CB 3.93Å; R163-K165 PolarHBondContact O-N 2.83Å; R163-W166 HydrophobicContact CB-CD2 3.96Å; R163-W166 HydrophobicContact CB-CE3 4.2Å; R163-W166 HydrophobicContact CB-CG 4.14Å; R163-W166 HydrophobicContact CG-CG 4.44Å; R163-W166 WeakPolarHBondContact O-CB 3.5Å; R163-W166 PolarHBondContact O-N 3.5Å; R163-P175 PolarHBondContact N-O 2.81Å; R163-P175 WeakPolarHBondContact O-CA 3.42Å; R163-P175 WeakPolarHBondContact O-CB 3.5Å
164P96.3Very high96.4Very high97 Ų9762.1 Ų62.163%0.6332%0.32SS*.G310 helixtrans-52.2-36.3-177.1-31.236.1000114.7W166 A167P164-W166 PolarHBondContact O-N 3.49Å; P164-W166 VanDerWaalsContact O-N 3.16Å; P164-A167 WeakPolarHBondContact O-CB 3.3Å; P164-A167 PolarHBondContact O-N 3.23Å; P164-A167 VanDerWaalsContact O-N 3.16Å
165K96.2Very high96.4Very high154 Ų15458.5 Ų58.567%0.6731%0.31SS*.G310 helixtrans-63.1-16.7177.2-68-173.6173.5-179.40114.4R163 T168R163-K165 PolarHBondContact O-N 2.83Å; K165-T168 PolarHBondContact O-N 3.17Å; K165-T168 PolarHBondContact O-OG1 2.97Å
166W95.9Very high96.5Very high19 Ų1958.7 Ų58.77%0.07231%0.311CS..G310 helixtrans-74.9-28175.8-73.8-8.5000112.7I161 R163 P164 T168 L169 Y173 N193 H195I161-W166 HydrophobicContact CB-CZ3 4.4Å; R163-W166 HydrophobicContact CB-CD2 3.96Å; R163-W166 HydrophobicContact CB-CE3 4.2Å; R163-W166 HydrophobicContact CB-CG 4.14Å; R163-W166 HydrophobicContact CG-CG 4.44Å; R163-W166 WeakPolarHBondContact O-CB 3.5Å; R163-W166 PolarHBondContact O-N 3.5Å; P164-W166 PolarHBondContact O-N 3.49Å; P164-W166 VanDerWaalsContact O-N 3.16Å; W166-T168 PolarHBondContact O-N 3.22Å; W166-T168 VanDerWaalsContact O-N 3.11Å; W166-L169 HydrophobicContact CB-CD1 4.16Å; W166-L169 HydrophobicContact CG-CD1 4.16Å; W166-L169 WeakPolarHBondContact O-CB 3.37Å; W166-L169 WeakPolarHBondContact O-CG 3.38Å; W166-L169 PolarHBondContact O-N 3.4Å; W166-L169 VanDerWaalsContact O-N 3.09Å; W166-Y173 VanDerWaalsContact O-CB 3.3Å; W166-Y173 WeakPolarHBondContact O-CB 3.35Å; W166-N193 HydrophobicContact CH2-CB 4.22Å; W166-N193 HydrophobicContact CZ2-CB 4.16Å; W166-N193 VanDerWaalsContact CZ2-OD1 3.32Å; W166-N193 WeakPolarHBondContact CZ2-OD1 3.32Å; W166-H195 AromaticContact CD2-CE1 3.73Å; W166-H195 AromaticContact CD2-ND1 3.8Å; W166-H195 AromaticContact CE2-CE1 3.8Å; W166-H195 AromaticContact CE3-ND1 3.81Å
167A96.3Very high96.6Very high44 Ų4455.9 Ų55.936%0.36430%0.296SS..THydrogen-bonded Turntrans-63.6-17.6174.400000113.1P164 Y173P164-A167 WeakPolarHBondContact O-CB 3.3Å; P164-A167 PolarHBondContact O-N 3.23Å; P164-A167 VanDerWaalsContact O-N 3.16Å; A167-Y173 WeakPolarHBondContact CA-O 3.26Å
168T95.3Very high96.6Very high116 Ų11652.5 Ų52.571%0.71228%0.283SS*.THydrogen-bonded Turntrans-93.53.2178.472.80000113.4K165 W166 G170K165-T168 PolarHBondContact O-N 3.17Å; K165-T168 PolarHBondContact O-OG1 2.97Å; W166-T168 PolarHBondContact O-N 3.22Å; W166-T168 VanDerWaalsContact O-N 3.11Å; T168-G170 VanDerWaalsContact C-N 3.27Å; T168-G170 PolarHBondContact O-N 3.44Å
169L92.8Very high96.7Very high78 Ų7853.6 Ų53.641%0.40829%0.286SS..SBendtrans-71.2-23.2-178.3-72.8173.9000113.2W166 Y173W166-L169 HydrophobicContact CB-CD1 4.16Å; W166-L169 HydrophobicContact CG-CD1 4.16Å; W166-L169 WeakPolarHBondContact O-CB 3.37Å; W166-L169 WeakPolarHBondContact O-CG 3.38Å; W166-L169 PolarHBondContact O-N 3.4Å; W166-L169 VanDerWaalsContact O-N 3.09Å; L169-Y173 HydrophobicContact CB-CD1 3.8Å; L169-Y173 HydrophobicContact CB-CD2 4.29Å; L169-Y173 HydrophobicContact CB-CE1 4.07Å; L169-Y173 HydrophobicContact CB-CG 3.91Å; L169-Y173 HydrophobicContact CD1-CD1 3.87Å; L169-Y173 HydrophobicContact CD1-CE1 3.87Å; L169-Y173 HydrophobicContact CG-CD1 4.44Å
170G92.4Very high96.6Very high27 Ų2753.6 Ų53.628%0.27829%0.287SS..SBendtrans165.1-178.6178.800000111.8T168 Y173T168-G170 VanDerWaalsContact C-N 3.27Å; T168-G170 PolarHBondContact O-N 3.44Å; G170-Y173 PolarHBondContact O-N 2.92Å
171P93.9Very high96.6Very high109 Ų10954.5 Ų54.571%0.70829%0.29SS*.THydrogen-bonded Turntrans-54.3142176.5-23.533.9000111.6Y173P171-Y173 PolarHBondContact O-N 3.25Å
172H96.3Very high96.5Very high110 Ų11054 Ų5451%0.50929%0.287SS..THydrogen-bonded Turntrans64.2-4.2178.6-48.7-66000116.7T174 L197 S198H172-T174 PolarHBondContact O-N 2.85Å; H172-L197 HydrophobicContact CB-CB 4.27Å; H172-L197 HydrophobicContact CB-CD2 4.45Å; H172-L197 CarbonylContact O-C 3.32Å; H172-L197 WeakPolarHBondContact O-CA 3.31Å; H172-S198 WeakPolarHBondContact CA-OG 3.5Å; H172-S198 PolarHBondContact O-N 3.42Å; H172-S198 PolarHBondContact O-OG 2.91Å
173Y97.7Very high96.3Very high34 Ų3451.1 Ų51.113%0.13327%0.273CS..EExtended strand (participates in β ladder)trans-63.7135.5175.2-87.1-103.7000111W166 A167 L169 G170 P171 H195 L197 L214W166-Y173 VanDerWaalsContact O-CB 3.3Å; W166-Y173 WeakPolarHBondContact O-CB 3.35Å; A167-Y173 WeakPolarHBondContact CA-O 3.26Å; L169-Y173 HydrophobicContact CB-CD1 3.8Å; L169-Y173 HydrophobicContact CB-CD2 4.29Å; L169-Y173 HydrophobicContact CB-CE1 4.07Å; L169-Y173 HydrophobicContact CB-CG 3.91Å; L169-Y173 HydrophobicContact CD1-CD1 3.87Å; L169-Y173 HydrophobicContact CD1-CE1 3.87Å; L169-Y173 HydrophobicContact CG-CD1 4.44Å; G170-Y173 PolarHBondContact O-N 2.92Å; P171-Y173 PolarHBondContact O-N 3.25Å; Y173-H195 HydrophobicContact CD1-CB 4.11Å; Y173-H195 HydrophobicContact CE1-CB 3.77Å; Y173-H195 AromaticContact CE1-CG 3.64Å; Y173-H195 AromaticContact CE1-ND1 3.95Å; Y173-L197 HydrophobicContact CD2-CG 4.46Å; Y173-L197 HydrophobicContact CE2-CD2 4.42Å; Y173-L214 VanDerWaalsContact OH-CD1 3.28Å; Y173-L214 WeakPolarHBondContact OH-CD1 3.41Å; Y173-L214 WeakPolarHBondContact OH-CD2 3.15Å
174T97.8Very high96Very high18 Ų1848.2 Ų48.211%0.1127%0.265CS..EExtended strand (participates in β ladder)trans-102.9168.2171.977.40000109.5H172 Y176 Y196H172-T174 PolarHBondContact O-N 2.85Å; T174-Y176 PolarHBondContact O-N 3.2Å; T174-Y176 PolarHBondContact OG1-N 3.4Å; T174-Y196 WeakPolarHBondContact CB-O 3.33Å; T174-Y196 HydrophobicContact CG2-CD1 3.96Å; T174-Y196 WeakPolarHBondContact CG2-O 3.4Å; T174-Y196 PolarHBondContact N-O 3.5Å; T174-Y196 PolarHBondContact OG1-O 3.38Å
175P97.8Very high95.3Very high30 Ų3049.2 Ų49.220%0.19527%0.265CS..EExtended strand (participates in β ladder)trans-76.9-5.6175.334.5-37.5000113N162 R163N162-P175 CarbonylContact C-O 3.58Å; N162-P175 WeakPolarHBondContact CA-O 3.36Å; N162-P175 WeakPolarHBondContact OD1-CB 3.45Å; R163-P175 PolarHBondContact N-O 2.81Å; R163-P175 WeakPolarHBondContact O-CA 3.42Å; R163-P175 WeakPolarHBondContact O-CB 3.5Å
176Y98.3Very high94.6Very high74 Ų7442 Ų4229%0.2923%0.234SC..EExtended strand (participates in β ladder)trans-88.5136.4-174.8-55.5-69.2000112.3I161 N162 T174 Y196 L324 V325I161-Y176 WeakPolarHBondContact O-CA 3.35Å; N162-Y176 HydrophobicContact CB-CD1 4.18Å; N162-Y176 HydrophobicContact CB-CE1 4.19Å; N162-Y176 WeakPolarHBondContact ND2-CE1 3.45Å; T174-Y176 PolarHBondContact O-N 3.2Å; T174-Y176 PolarHBondContact OG1-N 3.4Å; Y176-Y196 PolarHBondContact O-N 3.31Å; Y176-Y196 VanDerWaalsContact O-N 3.15Å; Y176-L324 HydrophobicContact CD1-CD2 4.02Å; Y176-L324 HydrophobicContact CD1-CG 3.98Å; Y176-V325 HydrophobicContact CD2-CG2 4.04Å; Y176-V325 HydrophobicContact CG-CG2 4.01Å
177G98.1Very high94.2Very high0 Ų043 Ų430%024%0.239CC..EExtended strand (participates in β ladder)trans-170.3174.3172.100000113.6I161 I194 L321I161-G177 PolarHBondContact N-O 3.07Å; I161-G177 PolarHBondContact O-N 3.47Å; G177-I194 CarbonylContact C-O 3.56Å; G177-I194 WeakPolarHBondContact CA-O 3.5Å; G177-L321 VanDerWaalsContact CA-CD1 3.4Å
178I98.5Very high93.6Very high0 Ų042.3 Ų42.30%023%0.23CC..EExtended strand (participates in β ladder)trans-105.6124.3171.9-58-68.8000108.2P158 I159 A160 L180 N193 I194 C317 K320 L321P158-I178 HydrophobicContact CB-CG2 3.55Å; I159-I178 CarbonylContact O-C 3.57Å; I159-I178 WeakPolarHBondContact O-CA 3.32Å; A160-I178 HydrophobicContact CB-CD1 4.05Å; I178-L180 HydrophobicContact CG2-CD2 3.94Å; I178-L180 HydrophobicContact CG2-CG 4.01Å; I178-N193 CarbonylContact O-C 3.56Å; I178-N193 VanDerWaalsContact O-CA 3.29Å; I178-N193 WeakPolarHBondContact O-CA 3.4Å; I178-I194 HydrophobicContact CB-CB 4.27Å; I178-I194 HydrophobicContact CB-CD1 4.37Å; I178-I194 PolarHBondContact N-O 2.96Å; I178-I194 PolarHBondContact O-N 2.74Å; I178-C317 WeakPolarHBondContact CG1-O 2.85Å; I178-C317 HydrophobicContact CG2-CB 4.37Å; I178-K320 HydrophobicContact CD1-CB 4.16Å; I178-K320 HydrophobicContact CD1-CD 4.23Å; I178-K320 HydrophobicContact CD1-CG 4.02Å; I178-L321 HydrophobicContact CD1-CB 4.2Å; I178-L321 HydrophobicContact CG1-CB 3.76Å; I178-L321 HydrophobicContact CG1-CD1 4.4Å; I178-L321 HydrophobicContact CG1-CD2 4.44Å; I178-L321 HydrophobicContact CG1-CG 4.42Å
179Y98.1Very high93.4Very high28 Ų2838.6 Ų38.611%0.1121%0.212CC..EExtended strand (participates in β ladder)trans-93128.3170.6-178.4-80.9000109.8T153 I159 I161 R181 I191 N193 L334T153-Y179 HydrophobicContact CG2-CD1 4.02Å; T153-Y179 HydrophobicContact CG2-CE1 3.62Å; I159-Y179 HydrophobicContact CD1-CD1 4.44Å; I159-Y179 PolarHBondContact N-O 2.84Å; I159-Y179 PolarHBondContact O-N 2.81Å; I161-Y179 HydrophobicContact CD1-CD2 4.36Å; I161-Y179 HydrophobicContact CD1-CG 3.98Å; Y179-R181 HydrophobicContact CE1-CB 4.11Å; Y179-I191 HydrophobicContact CE2-CG2 3.75Å; Y179-I191 WeakPolarHBondContact OH-CD1 3.41Å; Y179-N193 WeakPolarHBondContact CD2-OD1 2.97Å; Y179-L334 HydrophobicContact CD1-CD2 4.46Å
180L97.8Very high93.4Very high1 Ų136.1 Ų36.11%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-122.8128.4179.9-63.3171.8000109.6P158 I178 I191 S192 I194 F313 L314P158-L180 HydrophobicContact CB-CD2 3.75Å; I178-L180 HydrophobicContact CG2-CD2 3.94Å; I178-L180 HydrophobicContact CG2-CG 4.01Å; L180-I191 CarbonylContact O-C 3.56Å; L180-I191 VanDerWaalsContact O-CA 3.31Å; L180-I191 WeakPolarHBondContact O-CA 3.35Å; L180-S192 WeakPolarHBondContact CA-O 3.29Å; L180-S192 WeakPolarHBondContact CB-O 3Å; L180-S192 PolarHBondContact N-O 3.09Å; L180-S192 PolarHBondContact O-N 3.49Å; L180-I194 HydrophobicContact CD1-CD1 3.91Å; L180-I194 HydrophobicContact CD1-CG1 4.4Å; L180-F313 HydrophobicContact CD1-CE1 4.23Å; L180-F313 HydrophobicContact CD2-CE1 3.77Å; L180-F313 HydrophobicContact CD2-CZ 3.76Å; L180-L314 HydrophobicContact CD1-CD2 4.41Å
181R97Very high93.5Very high18 Ų1837.7 Ų37.77%0.06820%0.2CC..EExtended strand (participates in β ladder)trans-11694.9163.6-178.9169.6168.9-88.5-6.1108.4T153 R155 N156 Y179 V183 A189 I191 E341T153-R181 WeakPolarHBondContact O-CD 3.42Å; T153-R181 PolarHBondContact O-NH1 3.21Å; R155-R181 CarbonylContact C-O 3.58Å; R155-R181 WeakPolarHBondContact CA-O 3.37Å; N156-R181 PolarHBondContact N-O 3.45Å; N156-R181 PolarHBondContact OD1-O 3.4Å; Y179-R181 HydrophobicContact CE1-CB 4.11Å; R181-V183 HydrophobicContact CG-CG2 4Å; R181-A189 HydrophobicContact CG-CB 4.27Å; R181-I191 HydrophobicContact CG-CG1 4.44Å; R181-E341 IonicContact CZ-OE1 3.02Å; R181-E341 VanDerWaalsContact NH1-CD 3.28Å; R181-E341 IonicContact NH1-OE1 3.9Å; R181-E341 PolarHBondContact NH1-OE1 3.05Å; R181-E341 IonicContact NH1-OE2 3.05Å; R181-E341 IonicContact NH2-OE1 2.77Å
182C96.7Very high93.7Very high1 Ų132.6 Ų32.61%0.00717%0.167CC..EExtended strand (participates in β ladder)trans-85.5125.9178.5-61.70000108.9N156 A189 I190 V302 H303N156-C182 WeakPolarHBondContact OD1-CA 3.49Å; C182-A189 CarbonylContact O-C 3.42Å; C182-A189 WeakPolarHBondContact O-CA 3.36Å; C182-I190 PolarHBondContact N-O 2.96Å; C182-I190 PolarHBondContact O-N 3.49Å; C182-V302 HydrophobicContact CB-CG2 3.77Å; C182-H303 WeakPolarHBondContact CB-ND1 2.94Å; C182-H303 PolarHBondContact SG-CE1 3.31Å; C182-H303 PolarHBondContact SG-ND1 3.18Å
183V93.6Very high93.8Very high7 Ų728 Ų284%0.04215%0.146CC..EExtended strand (participates in β ladder)trans-124.2123.9-174.4-176.70000109.9R155 N156 R181 T188 A189R155-V183 HydrophobicContact CB-CB 3.94Å; R155-V183 HydrophobicContact CB-CG2 3.48Å; R155-V183 VanDerWaalsContact CB-CG2 3.48Å; N156-V183 PolarHBondContact OD1-N 3.19Å; R181-V183 HydrophobicContact CG-CG2 4Å; V183-T188 WeakPolarHBondContact CA-O 3.46Å; V183-A189 HydrophobicContact CG2-CB 3.92Å
184L89.1Confident93.8Very high47 Ų4726.3 Ų26.325%0.24614%0.139CC..  trans-70.8165.4172.8-80.7163.5000111.7D186 H187 T188 V302L184-D186 VanDerWaalsContact CB-OD1 3.26Å; L184-D186 WeakPolarHBondContact CB-OD1 3.46Å; L184-D186 PolarHBondContact O-N 3.21Å; L184-H187 WeakPolarHBondContact O-CA 3.45Å; L184-H187 PolarHBondContact O-N 2.82Å; L184-T188 HydrophobicContact CD1-CG2 4.46Å; L184-T188 PolarHBondContact N-O 2.81Å; L184-V302 HydrophobicContact CD1-CB 4.33Å; L184-V302 HydrophobicContact CD1-CG2 4.41Å; L184-V302 HydrophobicContact CD2-CB 4.33Å; L184-V302 WeakPolarHBondContact CD2-O 3.33Å; L184-V302 HydrophobicContact CG-CB 4.03Å; L184-V302 HydrophobicContact CG-CG2 3.98Å
185D82.8Confident93.9Very high119 Ų11925.5 Ų25.564%0.63613%0.134SC*.THydrogen-bonded Turntrans-55.1-33.9173.1-99.824.1000113.6K22 H187K22-D185 IonicContact NZ-OD2 3.28Å; K22-D185 PolarHBondContact NZ-OD2 3.02Å; D185-H187 PolarHBondContact O-N 2.74Å
186D80.3Confident93.8Very high2 Ų225.2 Ų25.21%0.01113%0.129CC..THydrogen-bonded Turntrans-80.89.3175.873.4-1.4000113.3H26 L184 T188 L350 K354H26-D186 IonicContact CE1-OD2 2.87Å; H26-D186 IonicContact CG-OD2 3.43Å; H26-D186 VanDerWaalsContact ND1-CG 3.27Å; H26-D186 IonicContact ND1-OD2 3.62Å; H26-D186 PolarHBondContact ND1-OD2 2.93Å; L184-D186 VanDerWaalsContact CB-OD1 3.26Å; L184-D186 WeakPolarHBondContact CB-OD1 3.46Å; L184-D186 PolarHBondContact O-N 3.21Å; D186-T188 PolarHBondContact O-N 2.71Å; D186-T188 WeakPolarHBondContact OD1-CB 3.48Å; D186-T188 PolarHBondContact OD1-N 2.87Å; D186-T188 PolarHBondContact OD1-OG1 3.41Å; D186-T188 PolarHBondContact OD2-OG1 2.97Å; D186-L350 WeakPolarHBondContact O-CD2 3.32Å; D186-K354 IonicContact OD1-NZ 3.59Å; D186-K354 IonicContact OD2-NZ 3.57Å; D186-K354 PolarHBondContact OD2-NZ 2.9Å
187H86.7Confident93.8Very high39 Ų3922.4 Ų22.418%0.18112%0.119CC..  trans65.310.8-176.5-56.4-49.6000116.4R155 L184 D185 A189 T347 M351R155-H187 PolarHBondContact NH1-ND1 3.38Å; L184-H187 WeakPolarHBondContact O-CA 3.45Å; L184-H187 PolarHBondContact O-N 2.82Å; D185-H187 PolarHBondContact O-N 2.74Å; H187-A189 PolarHBondContact O-N 3.4Å; H187-T347 HydrophobicContact CB-CG2 3.55Å; H187-T347 VanDerWaalsContact CD2-CG2 3.43Å; H187-T347 WeakPolarHBondContact CD2-CG2 3.4Å; H187-T347 VanDerWaalsContact CG-CG2 3.43Å; H187-T347 PolarHBondContact NE2-OG1 3.2Å; H187-M351 HydrophobicContact CB-CE 4.08Å; H187-M351 HydrophobicContact CB-CG 4.42Å; H187-M351 WeakPolarHBondContact O-CE 3.29Å
188T84.4Confident93.7Very high30 Ų3026 Ų2618%0.18415%0.145CC..  trans-61.7125.2168.2-54.90000109.4V183 L184 D186 K354V183-T188 WeakPolarHBondContact CA-O 3.46Å; L184-T188 HydrophobicContact CD1-CG2 4.46Å; L184-T188 PolarHBondContact N-O 2.81Å; D186-T188 PolarHBondContact O-N 2.71Å; D186-T188 WeakPolarHBondContact OD1-CB 3.48Å; D186-T188 PolarHBondContact OD1-N 2.87Å; D186-T188 PolarHBondContact OD1-OG1 3.41Å; D186-T188 PolarHBondContact OD2-OG1 2.97Å; T188-K354 VanDerWaalsContact OG1-CD 3.27Å; T188-K354 WeakPolarHBondContact OG1-CD 3.33Å; T188-K354 PolarHBondContact OG1-NZ 3.32Å
189A90.4Very high93.5Very high39 Ų3927.2 Ų27.232%0.32215%0.153SC..EExtended strand (participates in β ladder)trans-107.9126.2-179.200000110.8R181 C182 V183 H187R181-A189 HydrophobicContact CG-CB 4.27Å; C182-A189 CarbonylContact O-C 3.42Å; C182-A189 WeakPolarHBondContact O-CA 3.36Å; V183-A189 HydrophobicContact CG2-CB 3.92Å; H187-A189 PolarHBondContact O-N 3.4Å
190I93.7Very high93.3Very high26 Ų2630.7 Ų30.713%0.13317%0.166CC..EExtended strand (participates in β ladder)trans-107.7125.5168.7-55.7-60.2000108.6C182 V299 V302C182-I190 PolarHBondContact N-O 2.96Å; C182-I190 PolarHBondContact O-N 3.49Å; I190-V299 HydrophobicContact CG2-CB 4.23Å; I190-V299 WeakPolarHBondContact CG2-O 3.48Å; I190-V302 HydrophobicContact CB-CG2 4.08Å; I190-V302 HydrophobicContact CG1-CG1 3.94Å; I190-V302 HydrophobicContact CG1-CG2 3.79Å
191I95.6Very high93.2Very high59 Ų5934.7 Ų34.730%0.30318%0.181SC..EExtended strand (participates in β ladder)trans-96126.7174.9-65.3162.7000108.7Y179 L180 R181Y179-I191 HydrophobicContact CE2-CG2 3.75Å; Y179-I191 WeakPolarHBondContact OH-CD1 3.41Å; L180-I191 CarbonylContact O-C 3.56Å; L180-I191 VanDerWaalsContact O-CA 3.31Å; L180-I191 WeakPolarHBondContact O-CA 3.35Å; R181-I191 HydrophobicContact CG-CG1 4.44Å
192S97.2Very high93.3Very high2 Ų233.9 Ų33.91%0.01418%0.178CC..EExtended strand (participates in β ladder)trans-126.5145175.8-51.40000109.4L180 S205 V206L180-S192 WeakPolarHBondContact CA-O 3.29Å; L180-S192 WeakPolarHBondContact CB-O 3Å; L180-S192 PolarHBondContact N-O 3.09Å; L180-S192 PolarHBondContact O-N 3.49Å; S192-S205 CarbonylContact C-O 3.39Å; S192-S205 VanDerWaalsContact CA-O 3.25Å; S192-S205 WeakPolarHBondContact CA-O 3.42Å; S192-V206 WeakPolarHBondContact OG-CG1 3.35Å
193N98Very high93.3Very high13 Ų1335.4 Ų35.47%0.0719%0.186CC..EExtended strand (participates in β ladder)trans-129.4127.9173.7-55.5-84.9000109.2W166 I178 Y179 H195 I204 S205W166-N193 HydrophobicContact CH2-CB 4.22Å; W166-N193 HydrophobicContact CZ2-CB 4.16Å; W166-N193 VanDerWaalsContact CZ2-OD1 3.32Å; W166-N193 WeakPolarHBondContact CZ2-OD1 3.32Å; I178-N193 CarbonylContact O-C 3.56Å; I178-N193 VanDerWaalsContact O-CA 3.29Å; I178-N193 WeakPolarHBondContact O-CA 3.4Å; Y179-N193 WeakPolarHBondContact CD2-OD1 2.97Å; N193-H195 WeakPolarHBondContact CB-NE2 3.18Å; N193-H195 PolarHBondContact O-CD2 3.36Å; N193-I204 CarbonylContact O-C 3.54Å; N193-I204 WeakPolarHBondContact O-CA 3.41Å; N193-S205 PolarHBondContact N-O 3.04Å; N193-S205 PolarHBondContact O-N 3.01Å; N193-S205 PolarHBondContact O-OG 3.24Å
194I98.5Very high93.6Very high0 Ų035.2 Ų35.20%018%0.184CC..EExtended strand (participates in β ladder)trans-98.9119.7173-55162.7000107G177 I178 L180 M202 M203 I204 F217 L314 C317 L321G177-I194 CarbonylContact C-O 3.56Å; G177-I194 WeakPolarHBondContact CA-O 3.5Å; I178-I194 HydrophobicContact CB-CB 4.27Å; I178-I194 HydrophobicContact CB-CD1 4.37Å; I178-I194 PolarHBondContact N-O 2.96Å; I178-I194 PolarHBondContact O-N 2.74Å; L180-I194 HydrophobicContact CD1-CD1 3.91Å; L180-I194 HydrophobicContact CD1-CG1 4.4Å; I194-M202 HydrophobicContact CG2-CB 4.45Å; I194-M202 HydrophobicContact CG2-SD 4.37Å; I194-M203 CarbonylContact C-O 3.43Å; I194-M203 WeakPolarHBondContact CA-O 3.43Å; I194-I204 HydrophobicContact CG1-CB 4.41Å; I194-I204 HydrophobicContact CG1-CD1 4.07Å; I194-I204 HydrophobicContact CG1-CG1 4.06Å; I194-F217 HydrophobicContact CD1-CD2 4.47Å; I194-F217 HydrophobicContact CD1-CE2 3.8Å; I194-F217 HydrophobicContact CG1-CD2 4.34Å; I194-F217 HydrophobicContact CG1-CE2 4.15Å; I194-F217 HydrophobicContact CG2-CD2 3.84Å; I194-F217 HydrophobicContact CG2-CE2 4.06Å; I194-L314 HydrophobicContact CD1-CD2 4.07Å; I194-C317 HydrophobicContact CD1-CB 3.48Å; I194-C317 VanDerWaalsContact CD1-CB 3.48Å; I194-L321 HydrophobicContact CB-CD2 4.36Å; I194-L321 HydrophobicContact CG2-CD2 3.76Å
195H98.4Very high93.9Very high1 Ų133 Ų331%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-105.4135.9-175.8-59.8-86000110.1W166 Y173 N193 L197 M202 M203 S205W166-H195 AromaticContact CD2-CE1 3.73Å; W166-H195 AromaticContact CD2-ND1 3.8Å; W166-H195 AromaticContact CE2-CE1 3.8Å; W166-H195 AromaticContact CE3-ND1 3.81Å; Y173-H195 HydrophobicContact CD1-CB 4.11Å; Y173-H195 HydrophobicContact CE1-CB 3.77Å; Y173-H195 AromaticContact CE1-CG 3.64Å; Y173-H195 AromaticContact CE1-ND1 3.95Å; N193-H195 WeakPolarHBondContact CB-NE2 3.18Å; N193-H195 PolarHBondContact O-CD2 3.36Å; H195-L197 HydrophobicContact CB-CD1 4.13Å; H195-M202 VanDerWaalsContact O-CA 3.28Å; H195-M202 WeakPolarHBondContact O-CA 3.33Å; H195-M203 PolarHBondContact N-O 3.19Å; H195-M203 PolarHBondContact O-N 3.11Å; H195-M203 VanDerWaalsContact O-N 3.09Å; H195-S205 PolarHBondContact NE2-OG 3.07Å
196Y97.7Very high94.6Very high23 Ų2327.3 Ų27.39%0.0914%0.142CC..EExtended strand (participates in β ladder)trans-89.8133.3168.1-174.9-96.1000110T174 Y176 M202 V325T174-Y196 WeakPolarHBondContact CB-O 3.33Å; T174-Y196 HydrophobicContact CG2-CD1 3.96Å; T174-Y196 WeakPolarHBondContact CG2-O 3.4Å; T174-Y196 PolarHBondContact N-O 3.5Å; T174-Y196 PolarHBondContact OG1-O 3.38Å; Y176-Y196 PolarHBondContact O-N 3.31Å; Y176-Y196 VanDerWaalsContact O-N 3.15Å; Y196-M202 HydrophobicContact CD2-CE 3.97Å; Y196-M202 HydrophobicContact CD2-CG 4.37Å; Y196-V325 HydrophobicContact CD1-CG1 4.16Å; Y196-V325 HydrophobicContact CD1-CG2 3.77Å; Y196-V325 HydrophobicContact CD2-CG2 4.12Å; Y196-V325 HydrophobicContact CE1-CG1 3.84Å; Y196-V325 HydrophobicContact CE1-CG2 4.26Å; Y196-V325 HydrophobicContact CG-CG2 3.7Å
197L97.3Very high95.1Very high15 Ų1532.1 Ų32.18%0.07916%0.161CC..EExtended strand (participates in β ladder)trans-109.1143.3178.3-76.967.1000110.6H172 Y173 H195 S199 R200 R201 M203H172-L197 HydrophobicContact CB-CB 4.27Å; H172-L197 HydrophobicContact CB-CD2 4.45Å; H172-L197 CarbonylContact O-C 3.32Å; H172-L197 WeakPolarHBondContact O-CA 3.31Å; Y173-L197 HydrophobicContact CD2-CG 4.46Å; Y173-L197 HydrophobicContact CE2-CD2 4.42Å; H195-L197 HydrophobicContact CB-CD1 4.13Å; L197-S199 PolarHBondContact O-N 3.47Å; L197-S199 VanDerWaalsContact O-N 3.1Å; L197-R200 PolarHBondContact O-N 2.88Å; L197-R201 PolarHBondContact N-O 3.33Å; L197-M203 HydrophobicContact CD1-CB 4.21Å; L197-M203 HydrophobicContact CD1-CG 3.73Å; L197-M203 HydrophobicContact CD2-CG 3.98Å
198S95.6Very high95.1Very high76 Ų7631.4 Ų31.453%0.53116%0.157SC..THydrogen-bonded Turntrans-62.9-17.8177.1770000112.8H172 R200H172-S198 WeakPolarHBondContact CA-OG 3.5Å; H172-S198 PolarHBondContact O-N 3.42Å; H172-S198 PolarHBondContact O-OG 2.91Å; S198-R200 PolarHBondContact O-N 3.44Å
199S94.7Very high95Very high25 Ų2538.2 Ų38.218%0.17518%0.18CC..THydrogen-bonded Turntrans-76.110.4170.864.90000113.7L197L197-S199 PolarHBondContact O-N 3.47Å; L197-S199 VanDerWaalsContact O-N 3.1Å
200R94.4Very high94.7Very high102 Ų10247 Ų4739%0.38521%0.205SC..THydrogen-bonded Turntrans55.854.9-175.7-58.8-175176.2-177-3.5112.3L197 S198 S248 C249L197-R200 PolarHBondContact O-N 2.88Å; S198-R200 PolarHBondContact O-N 3.44Å; R200-S248 WeakPolarHBondContact CD-OG 3.4Å; R200-S248 VanDerWaalsContact NH1-CB 3.26Å; R200-S248 PolarHBondContact NH1-OG 3.1Å; R200-C249 HydrophobicContact CB-CB 4.05Å; R200-C249 WeakPolarHBondContact O-CA 3.47Å; R200-C249 PolarHBondContact O-SG 2.85Å
201R96.2Very high94.5Very high84 Ų8452.4 Ų52.432%0.31722%0.223SC..EExtended strand (participates in β ladder)trans-138162.7174.1-69.6174.1174.492.31.6109L197 M253 D256L197-R201 PolarHBondContact N-O 3.33Å; R201-M253 HydrophobicContact CB-CG 4.41Å; R201-M253 HydrophobicContact CG-CG 4.46Å; R201-D256 WeakPolarHBondContact CD-OD2 3.46Å; R201-D256 IonicContact CZ-OD1 3.53Å; R201-D256 IonicContact CZ-OD2 3.77Å; R201-D256 IonicContact NE-OD1 2.74Å; R201-D256 PolarHBondContact NE-OD1 2.88Å; R201-D256 IonicContact NE-OD2 3.61Å; R201-D256 PolarHBondContact NE-OD2 3.49Å; R201-D256 IonicContact NH2-OD1 2.81Å; R201-D256 PolarHBondContact NH2-OD1 3.2Å; R201-D256 IonicContact NH2-OD2 3.48Å
202M97.9Very high94.3Very high2 Ų253.9 Ų53.91%0.0123%0.228CC..EExtended strand (participates in β ladder)trans-122.1142.3168.8-66.8-179.2174.900110.9I194 H195 Y196 F217 W246 M253 A318 L321 C322I194-M202 HydrophobicContact CG2-CB 4.45Å; I194-M202 HydrophobicContact CG2-SD 4.37Å; H195-M202 VanDerWaalsContact O-CA 3.28Å; H195-M202 WeakPolarHBondContact O-CA 3.33Å; Y196-M202 HydrophobicContact CD2-CE 3.97Å; Y196-M202 HydrophobicContact CD2-CG 4.37Å; M202-F217 HydrophobicContact CB-CB 3.59Å; M202-F217 HydrophobicContact CB-CD1 4.36Å; M202-F217 HydrophobicContact CB-CG 4.02Å; M202-F217 VanDerWaalsContact O-CB 3.27Å; M202-F217 WeakPolarHBondContact O-CB 3.27Å; M202-F217 PolarHBondContact O-N 3.1Å; M202-F217 HydrophobicContact SD-CD1 4.36Å; M202-W246 HydrophobicContact CE-CE3 4.38Å; M202-W246 HydrophobicContact CE-CH2 3.45Å; M202-W246 VanDerWaalsContact CE-CH2 3.45Å; M202-W246 HydrophobicContact CE-CZ3 3.38Å; M202-W246 HydrophobicContact SD-CH2 3.84Å; M202-W246 HydrophobicContact SD-CZ3 4.1Å; M202-M253 HydrophobicContact CB-SD 3.74Å; M202-M253 HydrophobicContact CG-SD 4.16Å; M202-M253 PolarHBondContact N-SD 3.46Å; M202-M253 VanDerWaalsContact N-SD 3.38Å; M202-A318 HydrophobicContact CE-CB 4.41Å; M202-A318 HydrophobicContact SD-CB 3.98Å; M202-L321 HydrophobicContact CE-CB 3.99Å; M202-L321 HydrophobicContact CE-CD2 3.79Å; M202-L321 HydrophobicContact CE-CG 3.88Å; M202-L321 HydrophobicContact CG-CD2 4.45Å; M202-L321 HydrophobicContact SD-CD2 4.07Å; M202-C322 WeakPolarHBondContact CE-SG 3.13Å
203M97.8Very high94.2Very high33 Ų3354.7 Ų54.716%0.16323%0.231CC..EExtended strand (participates in β ladder)trans-122.1141.3173.2-57.8-63.5-67.800109.2I194 H195 L197 L214 L215 P216I194-M203 CarbonylContact C-O 3.43Å; I194-M203 WeakPolarHBondContact CA-O 3.43Å; H195-M203 PolarHBondContact N-O 3.19Å; H195-M203 PolarHBondContact O-N 3.11Å; H195-M203 VanDerWaalsContact O-N 3.09Å; L197-M203 HydrophobicContact CD1-CB 4.21Å; L197-M203 HydrophobicContact CD1-CG 3.73Å; L197-M203 HydrophobicContact CD2-CG 3.98Å; M203-L214 HydrophobicContact CB-CD1 3.74Å; M203-L214 HydrophobicContact CB-CG 4.18Å; M203-L214 HydrophobicContact CE-CD1 4.48Å; M203-L214 HydrophobicContact CE-CD2 3.69Å; M203-L214 HydrophobicContact CE-CG 3.66Å; M203-L215 CarbonylContact C-O 3.52Å; M203-L215 WeakPolarHBondContact CA-O 3.15Å; M203-P216 HydrophobicContact CE-CG 4.23Å; M203-P216 HydrophobicContact SD-CB 4.42Å
204I98.3Very high94Very high2 Ų257.3 Ų57.31%0.0124%0.244CC..EExtended strand (participates in β ladder)trans-107.2127.2169.9-172.3169.5000109.6N193 I194 V206 L214 L215 F217 V220 I300 L314N193-I204 CarbonylContact O-C 3.54Å; N193-I204 WeakPolarHBondContact O-CA 3.41Å; I194-I204 HydrophobicContact CG1-CB 4.41Å; I194-I204 HydrophobicContact CG1-CD1 4.07Å; I194-I204 HydrophobicContact CG1-CG1 4.06Å; I204-V206 HydrophobicContact CD1-CG1 4.43Å; I204-V206 HydrophobicContact CG1-CG1 4.17Å; I204-L214 WeakPolarHBondContact O-CA 3.32Å; I204-L215 HydrophobicContact CG2-CB 4.03Å; I204-L215 PolarHBondContact N-O 3.35Å; I204-L215 PolarHBondContact O-N 3.13Å; I204-F217 HydrophobicContact CB-CD2 4.34Å; I204-V220 HydrophobicContact CG2-CB 4.29Å; I204-V220 HydrophobicContact CG2-CG2 3.58Å; I204-I300 HydrophobicContact CD1-CD1 4.19Å; I204-L314 HydrophobicContact CD1-CD2 4.35Å
205S97Very high94Very high0 Ų057.3 Ų57.30%024%0.244CC..EExtended strand (participates in β ladder)trans-105.8133.4172.5700000110.7S192 N193 H195 F213S192-S205 CarbonylContact C-O 3.39Å; S192-S205 VanDerWaalsContact CA-O 3.25Å; S192-S205 WeakPolarHBondContact CA-O 3.42Å; N193-S205 PolarHBondContact N-O 3.04Å; N193-S205 PolarHBondContact O-N 3.01Å; N193-S205 PolarHBondContact O-OG 3.24Å; H195-S205 PolarHBondContact NE2-OG 3.07Å; S205-F213 CarbonylContact C-O 3.6Å; S205-F213 WeakPolarHBondContact CA-O 3.13Å
206V96.1Very high93.9Very high0 Ų059.1 Ų59.10%026%0.257CS..EExtended strand (participates in β ladder)trans-133.3155.8-179.7-61.90000110.3S192 I204 K212 F213 F295 V299 I300S192-V206 WeakPolarHBondContact OG-CG1 3.35Å; I204-V206 HydrophobicContact CD1-CG1 4.43Å; I204-V206 HydrophobicContact CG1-CG1 4.17Å; V206-K212 WeakPolarHBondContact O-CA 3.43Å; V206-F213 HydrophobicContact CG2-CB 4.13Å; V206-F213 PolarHBondContact N-O 2.9Å; V206-F213 PolarHBondContact O-N 3.11Å; V206-F295 HydrophobicContact CG2-CE1 4.09Å; V206-F295 HydrophobicContact CG2-CZ 3.69Å; V206-V299 HydrophobicContact CB-CB 4.25Å; V206-V299 HydrophobicContact CB-CG2 4.06Å; V206-V299 HydrophobicContact CG1-CG2 4.29Å; V206-V299 HydrophobicContact CG2-CB 4.29Å; V206-V299 HydrophobicContact CG2-CG2 3.69Å; V206-I300 HydrophobicContact CG1-CD1 3.84Å
207Y91.2Very high93.9Very high104 Ų10458 Ų5841%0.40825%0.252SS..EExtended strand (participates in β ladder)trans-103.7129.1172.7-74.9-93.6000110.5R211 K212Y207-R211 CarbonylContact C-O 3.53Å; Y207-R211 VanDerWaalsContact CA-O 3.3Å; Y207-R211 WeakPolarHBondContact CA-O 3.35Å; Y207-K212 HydrophobicContact CD1-CB 4.13Å; Y207-K212 HydrophobicContact CE1-CB 3.76Å; Y207-K212 HydrophobicContact CE1-CG 4.29Å; Y207-K212 HydrophobicContact CE2-CG 4.36Å
208H87.9Confident94Very high23 Ų2357.4 Ų57.411%0.10625%0.249CC..EExtended strand (participates in β ladder)trans-130.8126.1170-173.7-107.5000109R210 R211 F213 L280 F295 D298 V299H208-R210 VanDerWaalsContact C-N 3.31Å; H208-R210 PolarHBondContact O-N 2.94Å; H208-R211 PolarHBondContact N-O 3.43Å; H208-R211 PolarHBondContact O-N 2.81Å; H208-F213 HydrophobicContact CB-CD2 3.84Å; H208-F213 HydrophobicContact CB-CE2 3.73Å; H208-L280 VanDerWaalsContact CE1-CD2 3.47Å; H208-L280 WeakPolarHBondContact CE1-CD2 3.42Å; H208-L280 WeakPolarHBondContact ND1-CD2 3.4Å; H208-F295 HydrophobicContact CB-CD2 4.47Å; H208-F295 HydrophobicContact CB-CE2 3.76Å; H208-D298 IonicContact NE2-OD2 3.46Å; H208-V299 HydrophobicContact CB-CG1 3.92Å
209R82.1Confident94.1Very high173 Ų17353.8 Ų53.865%0.65322%0.224SC*.THydrogen-bonded Turntrans45.749.9-178.2-62.7-178.4179.6171.30.8113.9R211R209-R211 PolarHBondContact O-N 2.92Å; R209-R211 VanDerWaalsContact O-N 3.1Å
210R82.7Confident94.3Very high225 Ų22552.6 Ų52.685%0.84922%0.216SC*.THydrogen-bonded Turntrans644.2-178.4-52.9-179.8-179.1169.93.8115.5H208H208-R210 VanDerWaalsContact C-N 3.31Å; H208-R210 PolarHBondContact O-N 2.94Å
211R89.3Confident94.5Very high138 Ų13847.8 Ų47.852%0.52120%0.197SC..EExtended strand (participates in β ladder)trans-99.3143170.5-69.3-173.9168-162.3-1.8110.2Y207 H208 R209 F213 D279Y207-R211 CarbonylContact C-O 3.53Å; Y207-R211 VanDerWaalsContact CA-O 3.3Å; Y207-R211 WeakPolarHBondContact CA-O 3.35Å; H208-R211 PolarHBondContact N-O 3.43Å; H208-R211 PolarHBondContact O-N 2.81Å; R209-R211 PolarHBondContact O-N 2.92Å; R209-R211 VanDerWaalsContact O-N 3.1Å; R211-F213 HydrophobicContact CB-CD2 4.5Å; R211-F213 HydrophobicContact CB-CE2 3.72Å; R211-F213 HydrophobicContact CB-CZ 4.04Å; R211-D279 IonicContact NH1-OD1 2.78Å; R211-D279 PolarHBondContact NH1-OD1 2.88Å
212K92Very high94.6Very high91 Ų9143.8 Ų43.840%0.39618%0.182SC..EExtended strand (participates in β ladder)trans-93126.3175.4-173.7-178176.9-174.50108.6V206 Y207V206-K212 WeakPolarHBondContact O-CA 3.43Å; Y207-K212 HydrophobicContact CD1-CB 4.13Å; Y207-K212 HydrophobicContact CE1-CB 3.76Å; Y207-K212 HydrophobicContact CE1-CG 4.29Å; Y207-K212 HydrophobicContact CE2-CG 4.36Å
213F94.7Very high94.6Very high18 Ų1843.7 Ų43.78%0.07918%0.182CC..EExtended strand (participates in β ladder)trans-110.2148.1173-65.2-83.3000109.2S205 V206 H208 R211 L276 D279 L280 F295S205-F213 CarbonylContact C-O 3.6Å; S205-F213 WeakPolarHBondContact CA-O 3.13Å; V206-F213 HydrophobicContact CG2-CB 4.13Å; V206-F213 PolarHBondContact N-O 2.9Å; V206-F213 PolarHBondContact O-N 3.11Å; H208-F213 HydrophobicContact CB-CD2 3.84Å; H208-F213 HydrophobicContact CB-CE2 3.73Å; R211-F213 HydrophobicContact CB-CD2 4.5Å; R211-F213 HydrophobicContact CB-CE2 3.72Å; R211-F213 HydrophobicContact CB-CZ 4.04Å; F213-L276 HydrophobicContact CD1-CD2 3.19Å; F213-L276 HydrophobicContact CE1-CD2 3.33Å; F213-L276 HydrophobicContact CG-CD2 4.05Å; F213-L276 HydrophobicContact CZ-CD2 4.28Å; F213-D279 HydrophobicContact CE1-CB 3.8Å; F213-D279 HydrophobicContact CZ-CB 3.98Å; F213-L280 HydrophobicContact CZ-CD2 4.28Å; F213-F295 HydrophobicContact CB-CZ 3.97Å; F213-F295 AromaticContact CD2-CE2 3.98Å; F213-F295 HydrophobicContact CD2-CE2 3.98Å; F213-F295 HydrophobicContact CD2-CZ 4.15Å; F213-F295 HydrophobicContact CE2-CE2 4.4Å; F213-F295 HydrophobicContact CG-CE2 4.21Å; F213-F295 HydrophobicContact CG-CZ 4.05Å
214L95.1Very high94.6Very high68 Ų6842.6 Ų42.636%0.35618%0.176SC..EExtended strand (participates in β ladder)trans-127.3124.5178.8-173.975.7000108.1Y173 M203 I204Y173-L214 VanDerWaalsContact OH-CD1 3.28Å; Y173-L214 WeakPolarHBondContact OH-CD1 3.41Å; Y173-L214 WeakPolarHBondContact OH-CD2 3.15Å; M203-L214 HydrophobicContact CB-CD1 3.74Å; M203-L214 HydrophobicContact CB-CG 4.18Å; M203-L214 HydrophobicContact CE-CD1 4.48Å; M203-L214 HydrophobicContact CE-CD2 3.69Å; M203-L214 HydrophobicContact CE-CG 3.66Å; I204-L214 WeakPolarHBondContact O-CA 3.32Å
215L96.8Very high94.5Very high0 Ų044.6 Ų44.60%019%0.187CC..EExtended strand (participates in β ladder)trans-125.3144.7-178.5-62.6174.7000110.1M203 I204 F217 V220 M275 F295M203-L215 CarbonylContact C-O 3.52Å; M203-L215 WeakPolarHBondContact CA-O 3.15Å; I204-L215 HydrophobicContact CG2-CB 4.03Å; I204-L215 PolarHBondContact N-O 3.35Å; I204-L215 PolarHBondContact O-N 3.13Å; L215-F217 PolarHBondContact O-N 2.91Å; L215-V220 HydrophobicContact CB-CG2 3.83Å; L215-V220 HydrophobicContact CD1-CG2 3.77Å; L215-V220 HydrophobicContact CG-CG2 4.48Å; L215-M275 HydrophobicContact CD2-CE 4.39Å; L215-M275 HydrophobicContact CD2-SD 3.87Å; L215-F295 HydrophobicContact CD1-CD1 4.45Å; L215-F295 HydrophobicContact CD1-CE1 3.72Å
216P97.6Very high94.6Very high40 Ų4049.7 Ų49.726%0.2621%0.211SC..EExtended strand (participates in β ladder)trans-55.5134165.6-23.133.6000110.4M203 A218 L219 V220M203-P216 HydrophobicContact CE-CG 4.23Å; M203-P216 HydrophobicContact SD-CB 4.42Å; P216-A218 PolarHBondContact O-N 2.84Å; P216-L219 HydrophobicContact CB-CB 3.97Å; P216-L219 HydrophobicContact CG-CB 4.39Å; P216-L219 HydrophobicContact CG-CD2 4.49Å; P216-L219 WeakPolarHBondContact O-CB 3.43Å; P216-L219 PolarHBondContact O-N 3.43Å; P216-V220 PolarHBondContact O-N 2.92Å
217F98.4Very high94.6Very high0 Ų051 Ų510%022%0.219CC..Hα-helixtrans-63-42.4-175.2-178.4-101000112.3I194 M202 I204 L215 L219 V220 L221 L236 M253 L314 A318I194-F217 HydrophobicContact CD1-CD2 4.47Å; I194-F217 HydrophobicContact CD1-CE2 3.8Å; I194-F217 HydrophobicContact CG1-CD2 4.34Å; I194-F217 HydrophobicContact CG1-CE2 4.15Å; I194-F217 HydrophobicContact CG2-CD2 3.84Å; I194-F217 HydrophobicContact CG2-CE2 4.06Å; M202-F217 HydrophobicContact CB-CB 3.59Å; M202-F217 HydrophobicContact CB-CD1 4.36Å; M202-F217 HydrophobicContact CB-CG 4.02Å; M202-F217 VanDerWaalsContact O-CB 3.27Å; M202-F217 WeakPolarHBondContact O-CB 3.27Å; M202-F217 PolarHBondContact O-N 3.1Å; M202-F217 HydrophobicContact SD-CD1 4.36Å; I204-F217 HydrophobicContact CB-CD2 4.34Å; L215-F217 PolarHBondContact O-N 2.91Å; F217-L219 VanDerWaalsContact C-N 3.3Å; F217-L219 PolarHBondContact O-N 3.05Å; F217-V220 PolarHBondContact O-N 3.22Å; F217-L221 HydrophobicContact CD1-CD1 4.02Å; F217-L221 HydrophobicContact CD1-CG 4.34Å; F217-L221 HydrophobicContact CE1-CD1 3.54Å; F217-L221 HydrophobicContact CE1-CD2 4.33Å; F217-L221 HydrophobicContact CE1-CG 3.93Å; F217-L221 HydrophobicContact CZ-CD1 4.26Å; F217-L221 HydrophobicContact CZ-CD2 4.25Å; F217-L221 HydrophobicContact CZ-CG 4.27Å; F217-L221 PolarHBondContact O-N 2.87Å; F217-L221 VanDerWaalsContact O-N 3.12Å; F217-L236 HydrophobicContact CE1-CD2 4.35Å; F217-M253 HydrophobicContact CB-SD 4.39Å; F217-M253 HydrophobicContact CD1-SD 4.46Å; F217-L314 HydrophobicContact CE2-CB 4.17Å; F217-L314 HydrophobicContact CE2-CD1 4.49Å; F217-L314 HydrophobicContact CE2-CD2 4.25Å; F217-L314 HydrophobicContact CZ-CB 3.92Å; F217-L314 WeakPolarHBondContact CZ-O 3.15Å; F217-A318 HydrophobicContact CE1-CB 3.62Å; F217-A318 HydrophobicContact CZ-CB 3.76Å
218A98Very high94.9Very high2 Ų249.3 Ų49.32%0.01722%0.222CC..Hα-helixtrans-65.7-30.8177.500000113.1P216 V220 L221 K222 M253 L257P216-A218 PolarHBondContact O-N 2.84Å; A218-V220 VanDerWaalsContact C-N 3.3Å; A218-V220 PolarHBondContact O-N 3.39Å; A218-L221 PolarHBondContact O-N 3.12Å; A218-K222 WeakPolarHBondContact O-CB 3.4Å; A218-K222 PolarHBondContact O-N 3.25Å; A218-M253 HydrophobicContact CB-CB 3.77Å; A218-L257 HydrophobicContact CB-CD1 3.88Å; A218-L257 HydrophobicContact CB-CG 4.27Å
219L98.4Very high95.4Very high0 Ų050.8 Ų50.80%023%0.231CC..Hα-helixtrans-61.6-42.7174.4178.664.7000110.6P216 F217 K222 A223 L257 I262 A268 I272P216-L219 HydrophobicContact CB-CB 3.97Å; P216-L219 HydrophobicContact CG-CB 4.39Å; P216-L219 HydrophobicContact CG-CD2 4.49Å; P216-L219 WeakPolarHBondContact O-CB 3.43Å; P216-L219 PolarHBondContact O-N 3.43Å; F217-L219 VanDerWaalsContact C-N 3.3Å; F217-L219 PolarHBondContact O-N 3.05Å; L219-K222 PolarHBondContact O-N 3.36Å; L219-A223 WeakPolarHBondContact O-CB 3.47Å; L219-A223 PolarHBondContact O-N 3.07Å; L219-L257 HydrophobicContact CB-CD2 3.83Å; L219-L257 HydrophobicContact CD1-CD2 4.11Å; L219-I262 HydrophobicContact CD1-CD1 3.56Å; L219-I262 HydrophobicContact CD1-CG2 4.26Å; L219-A268 HydrophobicContact CD1-CB 3.78Å; L219-I272 HydrophobicContact CD1-CG1 4.5Å; L219-I272 HydrophobicContact CD2-CD1 4.34Å; L219-I272 HydrophobicContact CD2-CG1 3.73Å; L219-I272 HydrophobicContact CG-CD1 4.12Å; L219-I272 HydrophobicContact CG-CG1 3.99Å
220V98.5Very high96.1Very high0 Ų049.9 Ų49.90%023%0.227CC..Hα-helixtrans-66.2-43.2177.1175.90000111.4I204 L215 P216 F217 A218 K222 A223 L224 I296 I300 L314I204-V220 HydrophobicContact CG2-CB 4.29Å; I204-V220 HydrophobicContact CG2-CG2 3.58Å; L215-V220 HydrophobicContact CB-CG2 3.83Å; L215-V220 HydrophobicContact CD1-CG2 3.77Å; L215-V220 HydrophobicContact CG-CG2 4.48Å; P216-V220 PolarHBondContact O-N 2.92Å; F217-V220 PolarHBondContact O-N 3.22Å; A218-V220 VanDerWaalsContact C-N 3.3Å; A218-V220 PolarHBondContact O-N 3.39Å; V220-K222 VanDerWaalsContact C-N 3.33Å; V220-K222 PolarHBondContact O-N 3.41Å; V220-A223 PolarHBondContact O-N 3.31Å; V220-L224 HydrophobicContact CG1-CD1 4.25Å; V220-L224 WeakPolarHBondContact O-CG 3.08Å; V220-L224 PolarHBondContact O-N 3.08Å; V220-L224 VanDerWaalsContact O-N 3.17Å; V220-I296 HydrophobicContact CG1-CD1 4.26Å; V220-I300 HydrophobicContact CG1-CD1 3.96Å; V220-I300 HydrophobicContact CG1-CG1 3.99Å; V220-I300 HydrophobicContact CG1-CG2 3.93Å; V220-L314 HydrophobicContact CG1-CD1 3.86Å
221L98.5Very high96.8Very high0 Ų042.8 Ų42.80%020%0.203CC..Hα-helixtrans-58.2-46.3174.8-70.7-178.4000111.9F217 A218 A223 L224 I232 L236 F311 L314 V315F217-L221 HydrophobicContact CD1-CD1 4.02Å; F217-L221 HydrophobicContact CD1-CG 4.34Å; F217-L221 HydrophobicContact CE1-CD1 3.54Å; F217-L221 HydrophobicContact CE1-CD2 4.33Å; F217-L221 HydrophobicContact CE1-CG 3.93Å; F217-L221 HydrophobicContact CZ-CD1 4.26Å; F217-L221 HydrophobicContact CZ-CD2 4.25Å; F217-L221 HydrophobicContact CZ-CG 4.27Å; F217-L221 PolarHBondContact O-N 2.87Å; F217-L221 VanDerWaalsContact O-N 3.12Å; A218-L221 PolarHBondContact O-N 3.12Å; L221-A223 VanDerWaalsContact C-N 3.29Å; L221-A223 PolarHBondContact O-N 3.05Å; L221-L224 PolarHBondContact O-N 3.25Å; L221-I232 HydrophobicContact CD1-CG2 4.01Å; L221-L236 HydrophobicContact CD1-CD1 3.96Å; L221-L236 HydrophobicContact CD1-CD2 4.15Å; L221-L236 HydrophobicContact CD1-CG 4.33Å; L221-F311 HydrophobicContact CB-CD2 4.17Å; L221-F311 HydrophobicContact CB-CE2 3.98Å; L221-F311 HydrophobicContact CD2-CD2 3.85Å; L221-F311 HydrophobicContact CD2-CE2 4.06Å; L221-F311 HydrophobicContact CG-CE2 4.43Å; L221-L314 HydrophobicContact CD2-CB 3.68Å; L221-L314 HydrophobicContact CD2-CD1 4.2Å; L221-V315 HydrophobicContact CD2-CG2 4.41Å
222K98.2Very high97.3Very high1 Ų136.2 Ų36.20%0.00418%0.178CC..Hα-helixtrans-63.5-34178.1-172.169.4103.71650112.4A218 L219 V220 L224 V227 D229 I232 L257 I262 S263 Q265 A268A218-K222 WeakPolarHBondContact O-CB 3.4Å; A218-K222 PolarHBondContact O-N 3.25Å; L219-K222 PolarHBondContact O-N 3.36Å; V220-K222 VanDerWaalsContact C-N 3.33Å; V220-K222 PolarHBondContact O-N 3.41Å; K222-L224 VanDerWaalsContact C-N 3.34Å; K222-V227 PolarHBondContact NZ-O 3.45Å; K222-V227 VanDerWaalsContact NZ-O 3.14Å; K222-D229 WeakPolarHBondContact CE-OD1 3.36Å; K222-D229 IonicContact NZ-OD1 2.74Å; K222-D229 PolarHBondContact NZ-OD1 3.44Å; K222-I232 HydrophobicContact CB-CD1 4.37Å; K222-I232 HydrophobicContact CD-CD1 4.04Å; K222-L257 HydrophobicContact CB-CD1 4.2Å; K222-I262 HydrophobicContact CG-CG2 4.42Å; K222-S263 WeakPolarHBondContact CE-O 3.48Å; K222-S263 PolarHBondContact NZ-O 3.45Å; K222-Q265 WeakPolarHBondContact O-CA 3.29Å; K222-Q265 WeakPolarHBondContact O-CG 3.37Å; K222-A268 HydrophobicContact CB-CB 4.06Å; K222-A268 HydrophobicContact CG-CB 3.86Å
223A98.3Very high97.6Very high0 Ų033.5 Ų33.50%017%0.167CC..Hα-helixtrans-72.8-22.617700000113.7L219 V220 L221 Q265 A268 L269 I272 I296L219-A223 WeakPolarHBondContact O-CB 3.47Å; L219-A223 PolarHBondContact O-N 3.07Å; V220-A223 PolarHBondContact O-N 3.31Å; L221-A223 VanDerWaalsContact C-N 3.29Å; L221-A223 PolarHBondContact O-N 3.05Å; A223-Q265 VanDerWaalsContact O-CG 3.29Å; A223-Q265 WeakPolarHBondContact O-CG 3.41Å; A223-Q265 PolarHBondContact O-NE2 3.21Å; A223-A268 HydrophobicContact CB-CB 4.01Å; A223-L269 HydrophobicContact CB-CD2 3.92Å; A223-L269 HydrophobicContact CB-CG 4.3Å; A223-I272 HydrophobicContact CB-CD1 3.79Å; A223-I296 HydrophobicContact CB-CD1 4.2Å; A223-I296 HydrophobicContact CB-CG1 4.24Å
224L98.3Very high97.7Very high9 Ų935.8 Ų35.85%0.04718%0.179CC..Hα-helixtrans-81.5-29.2-177-74.1170.3000114.1V220 L221 K222 I296 I300 G307 K310 F311 L314V220-L224 HydrophobicContact CG1-CD1 4.25Å; V220-L224 WeakPolarHBondContact O-CG 3.08Å; V220-L224 PolarHBondContact O-N 3.08Å; V220-L224 VanDerWaalsContact O-N 3.17Å; L221-L224 PolarHBondContact O-N 3.25Å; K222-L224 VanDerWaalsContact C-N 3.34Å; L224-I296 HydrophobicContact CD2-CG2 3.62Å; L224-I300 HydrophobicContact CD1-CG2 4.15Å; L224-I300 HydrophobicContact CD2-CG2 4.15Å; L224-G307 WeakPolarHBondContact O-CA 3.43Å; L224-K310 HydrophobicContact CD1-CB 3.98Å; L224-K310 HydrophobicContact CD2-CB 3.82Å; L224-K310 HydrophobicContact CD2-CD 3.8Å; L224-K310 HydrophobicContact CD2-CG 4.47Å; L224-K310 HydrophobicContact CG-CB 4.49Å; L224-F311 HydrophobicContact CB-CB 4.36Å; L224-L314 HydrophobicContact CD1-CD1 3.63Å
225L96.6Very high97.9Very high44 Ų4435 Ų3523%0.2317%0.174CC..SBendtrans-149.2134-172.9-164.568.5000110.9V227 F231 E308 F311L225-V227 HydrophobicContact CB-CG2 4.35Å; L225-V227 HydrophobicContact CD2-CG1 3.63Å; L225-V227 HydrophobicContact CD2-CG2 4.46Å; L225-V227 HydrophobicContact CG-CG1 3.82Å; L225-V227 PolarHBondContact O-N 2.89Å; L225-F231 HydrophobicContact CD2-CE1 4.39Å; L225-E308 HydrophobicContact CD1-CB 4.32Å; L225-F311 HydrophobicContact CB-CD2 4.39Å; L225-F311 HydrophobicContact CD2-CD1 4.5Å; L225-F311 HydrophobicContact CD2-CG 4.42Å
226E97.3Very high97.9Very high107 Ų10735 Ų3550%0.517%0.174SC..  trans-75.290.6174.6-174.366.1-133.400110.1Q265E226-Q265 HydrophobicContact CB-CB 4.09Å; E226-Q265 WeakPolarHBondContact OE2-CA 3.46Å; E226-Q265 WeakPolarHBondContact OE2-CB 3.45Å; E226-Q265 PolarHBondContact OE2-N 3.22Å
227V97.2Very high97.9Very high27 Ų2733.4 Ų33.416%0.16416%0.163CC..  trans-140.4156.8-178.5-720000112.5K222 L225 F231 I232K222-V227 PolarHBondContact NZ-O 3.45Å; K222-V227 VanDerWaalsContact NZ-O 3.14Å; L225-V227 HydrophobicContact CB-CG2 4.35Å; L225-V227 HydrophobicContact CD2-CG1 3.63Å; L225-V227 HydrophobicContact CD2-CG2 4.46Å; L225-V227 HydrophobicContact CG-CG1 3.82Å; L225-V227 PolarHBondContact O-N 2.89Å; V227-F231 HydrophobicContact CB-CB 4.15Å; V227-F231 HydrophobicContact CB-CD1 3.66Å; V227-F231 HydrophobicContact CB-CE1 4.38Å; V227-F231 HydrophobicContact CB-CG 4.09Å; V227-F231 HydrophobicContact CG1-CD1 3.66Å; V227-F231 HydrophobicContact CG1-CE1 3.93Å; V227-F231 HydrophobicContact CG1-CG 4.16Å; V227-F231 HydrophobicContact CG2-CD1 3.77Å; V227-F231 HydrophobicContact CG2-CE1 4.41Å; V227-I232 HydrophobicContact CG2-CD1 4.05Å; V227-I232 HydrophobicContact CG2-CG1 3.71Å
228S97.5Very high97.8Very high70 Ų7039.2 Ų39.249%0.4919%0.19SC..  trans-67.4154175.472.70000112.3R230 F231 I232S228-R230 PolarHBondContact O-N 2.87Å; S228-F231 WeakPolarHBondContact O-CB 3.3Å; S228-F231 PolarHBondContact O-N 3.14Å; S228-F231 VanDerWaalsContact O-N 3.11Å; S228-F231 PolarHBondContact OG-N 3.34Å; S228-F231 VanDerWaalsContact OG-N 3.14Å; S228-I232 PolarHBondContact O-N 2.93Å
229D97.5Very high97.5Very high53 Ų5342.2 Ų42.228%0.28322%0.221SC..Hα-helixtrans-57.2-33.2172.6-65.9-18.8000111.8K222 I232 F233 L254K222-D229 WeakPolarHBondContact CE-OD1 3.36Å; K222-D229 IonicContact NZ-OD1 2.74Å; K222-D229 PolarHBondContact NZ-OD1 3.44Å; D229-I232 PolarHBondContact O-N 3.31Å; D229-F233 VanDerWaalsContact O-CB 3.32Å; D229-F233 WeakPolarHBondContact O-CB 3.41Å; D229-F233 PolarHBondContact O-N 3.08Å; D229-L254 HydrophobicContact CB-CD1 4.48Å; D229-L254 HydrophobicContact CB-CD2 4.49Å
230R97.3Very high97.3Very high154 Ų15443.4 Ų43.458%0.58123%0.229SC*.Hα-helixtrans-64-42.8178179.661.7-167.5-169.46.8111.6S228 F233 D234S228-R230 PolarHBondContact O-N 2.87Å; R230-F233 WeakPolarHBondContact O-CB 3.36Å; R230-F233 PolarHBondContact O-N 3.11Å; R230-D234 IonicContact CZ-OD1 3.5Å; R230-D234 IonicContact CZ-OD2 3.69Å; R230-D234 VanDerWaalsContact NE-CG 3.31Å; R230-D234 IonicContact NE-OD1 2.71Å; R230-D234 PolarHBondContact NE-OD1 3.04Å; R230-D234 IonicContact NE-OD2 2.81Å; R230-D234 PolarHBondContact NE-OD2 3.31Å; R230-D234 IonicContact NH1-OD1 3.54Å; R230-D234 IonicContact NH2-OD1 3.56Å; R230-D234 PolarHBondContact NH2-OD1 3.43Å; R230-D234 IonicContact NH2-OD2 3.71Å; R230-D234 PolarHBondContact NH2-OD2 2.85Å; R230-D234 VanDerWaalsContact O-CG 3.31Å; R230-D234 PolarHBondContact O-N 3.47Å
231F98.1Very high97Very high76 Ų7648.9 Ų48.933%0.33325%0.254SS..Hα-helixtrans-61.1-48.3175.8179.9-90.2000111L225 V227 S228 F233 D234 E235 F311L225-F231 HydrophobicContact CD2-CE1 4.39Å; V227-F231 HydrophobicContact CB-CB 4.15Å; V227-F231 HydrophobicContact CB-CD1 3.66Å; V227-F231 HydrophobicContact CB-CE1 4.38Å; V227-F231 HydrophobicContact CB-CG 4.09Å; V227-F231 HydrophobicContact CG1-CD1 3.66Å; V227-F231 HydrophobicContact CG1-CE1 3.93Å; V227-F231 HydrophobicContact CG1-CG 4.16Å; V227-F231 HydrophobicContact CG2-CD1 3.77Å; V227-F231 HydrophobicContact CG2-CE1 4.41Å; S228-F231 WeakPolarHBondContact O-CB 3.3Å; S228-F231 PolarHBondContact O-N 3.14Å; S228-F231 VanDerWaalsContact O-N 3.11Å; S228-F231 PolarHBondContact OG-N 3.34Å; S228-F231 VanDerWaalsContact OG-N 3.14Å; F231-F233 VanDerWaalsContact C-N 3.27Å; F231-F233 PolarHBondContact O-N 3.34Å; F231-D234 PolarHBondContact O-N 3.35Å; F231-E235 HydrophobicContact CD1-CG 4.06Å; F231-E235 HydrophobicContact CE1-CG 3.65Å; F231-E235 HydrophobicContact CE2-CG 4.17Å; F231-E235 HydrophobicContact CG-CG 4.49Å; F231-E235 HydrophobicContact CZ-CG 3.71Å; F231-E235 WeakPolarHBondContact O-CG 3.5Å; F231-E235 PolarHBondContact O-N 3.05Å; F231-F311 HydrophobicContact CD1-CZ 4.29Å; F231-F311 AromaticContact CE1-CE1 3.83Å; F231-F311 HydrophobicContact CE1-CE1 3.83Å; F231-F311 HydrophobicContact CE1-CZ 4.01Å
232I98.3Very high96.7Very high0 Ų057.6 Ų57.60%030%0.295CS..Hα-helixtrans-59.1-41.5177-59.1178.8000111.3L221 K222 V227 S228 D229 L236 L254 F311L221-I232 HydrophobicContact CD1-CG2 4.01Å; K222-I232 HydrophobicContact CB-CD1 4.37Å; K222-I232 HydrophobicContact CD-CD1 4.04Å; V227-I232 HydrophobicContact CG2-CD1 4.05Å; V227-I232 HydrophobicContact CG2-CG1 3.71Å; S228-I232 PolarHBondContact O-N 2.93Å; D229-I232 PolarHBondContact O-N 3.31Å; I232-L236 HydrophobicContact CG2-CD1 3.85Å; I232-L236 HydrophobicContact CG2-CG 4.47Å; I232-L236 WeakPolarHBondContact O-CB 3.33Å; I232-L236 WeakPolarHBondContact O-CG 3.45Å; I232-L236 PolarHBondContact O-N 3.41Å; I232-L236 VanDerWaalsContact O-N 3.07Å; I232-L254 HydrophobicContact CB-CD2 4.31Å; I232-L254 HydrophobicContact CG2-CD2 4.05Å; I232-F311 HydrophobicContact CG1-CE2 4.02Å; I232-F311 HydrophobicContact CG1-CZ 4.2Å
233F98.2Very high96.4Very high35 Ų3558.8 Ų58.815%0.15430%0.302CS..Hα-helixtrans-61.5-48.2177.6-179.8-90.2000112.2D229 R230 F231 L237 R247 V250 L254D229-F233 VanDerWaalsContact O-CB 3.32Å; D229-F233 WeakPolarHBondContact O-CB 3.41Å; D229-F233 PolarHBondContact O-N 3.08Å; R230-F233 WeakPolarHBondContact O-CB 3.36Å; R230-F233 PolarHBondContact O-N 3.11Å; F231-F233 VanDerWaalsContact C-N 3.27Å; F231-F233 PolarHBondContact O-N 3.34Å; F233-L237 HydrophobicContact CD1-CD1 3.82Å; F233-L237 HydrophobicContact CD2-CD1 4.22Å; F233-L237 HydrophobicContact CE1-CD1 3.28Å; F233-L237 HydrophobicContact CE2-CD1 3.72Å; F233-L237 HydrophobicContact CG-CD1 4.27Å; F233-L237 HydrophobicContact CZ-CD1 3.23Å; F233-L237 WeakPolarHBondContact O-CB 3.35Å; F233-L237 WeakPolarHBondContact O-CG 3.33Å; F233-L237 PolarHBondContact O-N 2.86Å; F233-R247 HydrophobicContact CE2-CG 4.11Å; F233-R247 HydrophobicContact CZ-CG 3.79Å; F233-V250 HydrophobicContact CB-CG1 4.44Å; F233-V250 HydrophobicContact CD2-CB 4.36Å; F233-V250 HydrophobicContact CD2-CG1 3.69Å; F233-V250 HydrophobicContact CE2-CG1 4.38Å; F233-V250 HydrophobicContact CG-CG1 4.37Å; F233-L254 HydrophobicContact CB-CD1 3.77Å; F233-L254 HydrophobicContact CD2-CD1 4.14Å; F233-L254 HydrophobicContact CG-CD1 4.47Å
234D97.9Very high96.2Very high65 Ų6563.7 Ų63.735%0.34833%0.328SS..Hα-helixtrans-66.2-44.1-178.4-70.1-26.7000111.1R230 F231 L236 L237 Q238R230-D234 IonicContact CZ-OD1 3.5Å; R230-D234 IonicContact CZ-OD2 3.69Å; R230-D234 VanDerWaalsContact NE-CG 3.31Å; R230-D234 IonicContact NE-OD1 2.71Å; R230-D234 PolarHBondContact NE-OD1 3.04Å; R230-D234 IonicContact NE-OD2 2.81Å; R230-D234 PolarHBondContact NE-OD2 3.31Å; R230-D234 IonicContact NH1-OD1 3.54Å; R230-D234 IonicContact NH2-OD1 3.56Å; R230-D234 PolarHBondContact NH2-OD1 3.43Å; R230-D234 IonicContact NH2-OD2 3.71Å; R230-D234 PolarHBondContact NH2-OD2 2.85Å; R230-D234 VanDerWaalsContact O-CG 3.31Å; R230-D234 PolarHBondContact O-N 3.47Å; F231-D234 PolarHBondContact O-N 3.35Å; D234-L236 PolarHBondContact O-N 3.27Å; D234-L237 PolarHBondContact O-N 3.28Å; D234-Q238 PolarHBondContact O-N 3.18Å; D234-Q238 VanDerWaalsContact O-N 3.1Å
235E98.1Very high95.9Very high51 Ų5165.5 Ų65.524%0.23834%0.341CS..Hα-helixtrans-62.5-43.2177.6-70.7-61.7132.800112.5F231 L237 Q238 F311 V315 Q319F231-E235 HydrophobicContact CD1-CG 4.06Å; F231-E235 HydrophobicContact CE1-CG 3.65Å; F231-E235 HydrophobicContact CE2-CG 4.17Å; F231-E235 HydrophobicContact CG-CG 4.49Å; F231-E235 HydrophobicContact CZ-CG 3.71Å; F231-E235 WeakPolarHBondContact O-CG 3.5Å; F231-E235 PolarHBondContact O-N 3.05Å; E235-L237 VanDerWaalsContact C-N 3.27Å; E235-L237 PolarHBondContact O-N 2.87Å; E235-Q238 PolarHBondContact O-N 2.84Å; E235-F311 HydrophobicContact CB-CE1 4.2Å; E235-F311 HydrophobicContact CB-CZ 4.37Å; E235-F311 HydrophobicContact CG-CE1 4.14Å; E235-V315 HydrophobicContact CB-CG1 4.44Å; E235-V315 HydrophobicContact CB-CG2 4.41Å; E235-V315 WeakPolarHBondContact O-CG1 3.43Å; E235-Q319 PolarHBondContact O-NE2 3.2Å
236L98Very high95.8Very high1 Ų163.7 Ų63.71%0.00533%0.332CS..Hα-helixtrans-65.8-29.6177.9-76.1170.2000113.2F217 L221 I232 D234 W246 V250 V315 A318F217-L236 HydrophobicContact CE1-CD2 4.35Å; L221-L236 HydrophobicContact CD1-CD1 3.96Å; L221-L236 HydrophobicContact CD1-CD2 4.15Å; L221-L236 HydrophobicContact CD1-CG 4.33Å; I232-L236 HydrophobicContact CG2-CD1 3.85Å; I232-L236 HydrophobicContact CG2-CG 4.47Å; I232-L236 WeakPolarHBondContact O-CB 3.33Å; I232-L236 WeakPolarHBondContact O-CG 3.45Å; I232-L236 PolarHBondContact O-N 3.41Å; I232-L236 VanDerWaalsContact O-N 3.07Å; D234-L236 PolarHBondContact O-N 3.27Å; L236-W246 HydrophobicContact CB-CZ2 4.18Å; L236-W246 HydrophobicContact CD2-CZ2 4.07Å; L236-W246 PolarHBondContact O-NE1 2.91Å; L236-V250 HydrophobicContact CB-CG1 4.18Å; L236-V250 HydrophobicContact CB-CG2 3.92Å; L236-V250 HydrophobicContact CD1-CG1 3.76Å; L236-V250 HydrophobicContact CD1-CG2 4.14Å; L236-V315 HydrophobicContact CD2-CB 4.43Å; L236-V315 HydrophobicContact CD2-CG1 4.33Å; L236-V315 HydrophobicContact CD2-CG2 4.13Å; L236-A318 HydrophobicContact CD2-CB 3.73Å
237L97.1Very high95.7Very high7 Ų764 Ų644%0.03733%0.328CS..Hα-helixtrans-92.7-8.1-176.7-72.1179.7000114.7F233 D234 E235 G239 T240 E241 W246 R247 V250F233-L237 HydrophobicContact CD1-CD1 3.82Å; F233-L237 HydrophobicContact CD2-CD1 4.22Å; F233-L237 HydrophobicContact CE1-CD1 3.28Å; F233-L237 HydrophobicContact CE2-CD1 3.72Å; F233-L237 HydrophobicContact CG-CD1 4.27Å; F233-L237 HydrophobicContact CZ-CD1 3.23Å; F233-L237 WeakPolarHBondContact O-CB 3.35Å; F233-L237 WeakPolarHBondContact O-CG 3.33Å; F233-L237 PolarHBondContact O-N 2.86Å; D234-L237 PolarHBondContact O-N 3.28Å; E235-L237 VanDerWaalsContact C-N 3.27Å; E235-L237 PolarHBondContact O-N 2.87Å; L237-G239 PolarHBondContact O-N 2.93Å; L237-T240 CarbonylContact O-C 3.54Å; L237-T240 WeakPolarHBondContact O-CA 3.39Å; L237-T240 PolarHBondContact O-N 3.41Å; L237-T240 PolarHBondContact O-OG1 2.93Å; L237-E241 PolarHBondContact O-N 3.2Å; L237-W246 VanDerWaalsContact CD2-CD1 3.45Å; L237-W246 HydrophobicContact CD2-CG 4.07Å; L237-R247 HydrophobicContact CD1-CB 4.35Å; L237-R247 HydrophobicContact CD1-CG 4.01Å; L237-R247 HydrophobicContact CD2-CB 4.2Å; L237-V250 HydrophobicContact CD2-CG2 4.29Å
238Q95.6Very high95.6Very high121 Ų12164.3 Ų64.357%0.56533%0.331SS*.THydrogen-bonded Turntrans-50.4124.2-177.6-164.5-178.63000112D234 E235 T240D234-Q238 PolarHBondContact O-N 3.18Å; D234-Q238 VanDerWaalsContact O-N 3.1Å; E235-Q238 PolarHBondContact O-N 2.84Å; Q238-T240 PolarHBondContact O-N 3.45Å
239G92.9Very high95.6Very high65 Ų6561 Ų6167%0.6731%0.308SS*.THydrogen-bonded Turntrans74.84.1-177.800000115.4L237 E241L237-G239 PolarHBondContact O-N 2.93Å; G239-E241 VanDerWaalsContact C-OE2 3.3Å; G239-E241 WeakPolarHBondContact CA-OE2 3.48Å; G239-E241 VanDerWaalsContact N-CD 3.31Å; G239-E241 PolarHBondContact N-OE1 3.24Å; G239-E241 PolarHBondContact N-OE2 2.99Å
240T93.6Very high95.6Very high26 Ų2658.4 Ų58.416%0.1629%0.294CS..  trans-137.428178.5560000112L237 Q238 E242 D243L237-T240 CarbonylContact O-C 3.54Å; L237-T240 WeakPolarHBondContact O-CA 3.39Å; L237-T240 PolarHBondContact O-N 3.41Å; L237-T240 PolarHBondContact O-OG1 2.93Å; Q238-T240 PolarHBondContact O-N 3.45Å; T240-E242 PolarHBondContact O-N 2.97Å; T240-E242 VanDerWaalsContact O-N 3.15Å; T240-D243 VanDerWaalsContact O-CB 3.32Å; T240-D243 WeakPolarHBondContact O-CB 3.29Å; T240-D243 PolarHBondContact O-N 3.3Å
241E92.4Very high95.6Very high114 Ų11453.2 Ų53.253%0.53328%0.28SS..THydrogen-bonded Turntrans-60.4-30.1-172.2-62.782.2177.100112.7L237 G239 D243L237-E241 PolarHBondContact O-N 3.2Å; G239-E241 VanDerWaalsContact C-OE2 3.3Å; G239-E241 WeakPolarHBondContact CA-OE2 3.48Å; G239-E241 VanDerWaalsContact N-CD 3.31Å; G239-E241 PolarHBondContact N-OE1 3.24Å; G239-E241 PolarHBondContact N-OE2 2.99Å; E241-D243 VanDerWaalsContact C-N 3.33Å
242E91.4Very high95.6Very high183 Ų18351.8 Ų51.886%0.85528%0.276SS*.THydrogen-bonded Turntrans-80.9-10.9178.8-57.4-167.4165.800113.6T240 N244T240-E242 PolarHBondContact O-N 2.97Å; T240-E242 VanDerWaalsContact O-N 3.15Å; E242-N244 PolarHBondContact O-N 2.92Å
243D93.2Very high95.6Very high26 Ų2652.1 Ų52.114%0.13928%0.277CS..  trans-76.395.1-179.4-174.7-13000111.3T240 E241 S245 W246 R247 R326T240-D243 VanDerWaalsContact O-CB 3.32Å; T240-D243 WeakPolarHBondContact O-CB 3.29Å; T240-D243 PolarHBondContact O-N 3.3Å; E241-D243 VanDerWaalsContact C-N 3.33Å; D243-S245 VanDerWaalsContact C-N 3.26Å; D243-S245 PolarHBondContact O-N 3.45Å; D243-S245 WeakPolarHBondContact OD1-CA 3.39Å; D243-S245 WeakPolarHBondContact OD1-CB 3.36Å; D243-S245 PolarHBondContact OD1-N 2.89Å; D243-W246 HydrophobicContact CB-CB 3.94Å; D243-W246 VanDerWaalsContact CG-CB 3.43Å; D243-W246 PolarHBondContact O-N 3.48Å; D243-W246 PolarHBondContact OD1-N 3.22Å; D243-W246 VanDerWaalsContact OD2-CB 3.32Å; D243-W246 WeakPolarHBondContact OD2-CB 3.27Å; D243-R247 VanDerWaalsContact O-CB 3.23Å; D243-R247 WeakPolarHBondContact O-CB 3.45Å; D243-R247 PolarHBondContact O-N 3.29Å; D243-R326 VanDerWaalsContact OD2-CD 3.27Å; D243-R326 WeakPolarHBondContact OD2-CD 3.16Å; D243-R326 IonicContact OD2-CZ 3.12Å; D243-R326 IonicContact OD2-NE 2.75Å; D243-R326 IonicContact OD2-NH1 2.71Å; D243-R326 PolarHBondContact OD2-NH1 3.48Å
244N93.3Very high95.5Very high103 Ų10351.2 Ų51.255%0.55127%0.274SS*.Hα-helixtrans-61.9-30177.2-75-52.5000114E242 R247 S248E242-N244 PolarHBondContact O-N 2.92Å; N244-R247 PolarHBondContact OD1-NE 3.42Å; N244-R247 PolarHBondContact OD1-NH2 2.92Å; N244-S248 VanDerWaalsContact O-CB 3.27Å; N244-S248 WeakPolarHBondContact O-CB 3.27Å; N244-S248 PolarHBondContact O-N 2.93Å
245S91.8Very high95.5Very high48 Ų4853.5 Ų53.534%0.33628%0.284SS..Hα-helixtrans-71-46.7178.2-169.60000110D243 S248 C249D243-S245 VanDerWaalsContact C-N 3.26Å; D243-S245 PolarHBondContact O-N 3.45Å; D243-S245 WeakPolarHBondContact OD1-CA 3.39Å; D243-S245 WeakPolarHBondContact OD1-CB 3.36Å; D243-S245 PolarHBondContact OD1-N 2.89Å; S245-S248 PolarHBondContact O-N 3.3Å; S245-C249 PolarHBondContact O-N 2.9Å
246W94.9Very high95.5Very high6 Ų653.5 Ų53.52%0.02329%0.286CS..Hα-helixtrans-66.2-45.6177.2-177.4-140.5000111.8M202 L236 L237 D243 S248 C249 V250 M253 A318 C322M202-W246 HydrophobicContact CE-CE3 4.38Å; M202-W246 HydrophobicContact CE-CH2 3.45Å; M202-W246 VanDerWaalsContact CE-CH2 3.45Å; M202-W246 HydrophobicContact CE-CZ3 3.38Å; M202-W246 HydrophobicContact SD-CH2 3.84Å; M202-W246 HydrophobicContact SD-CZ3 4.1Å; L236-W246 HydrophobicContact CB-CZ2 4.18Å; L236-W246 HydrophobicContact CD2-CZ2 4.07Å; L236-W246 PolarHBondContact O-NE1 2.91Å; L237-W246 VanDerWaalsContact CD2-CD1 3.45Å; L237-W246 HydrophobicContact CD2-CG 4.07Å; D243-W246 HydrophobicContact CB-CB 3.94Å; D243-W246 VanDerWaalsContact CG-CB 3.43Å; D243-W246 PolarHBondContact O-N 3.48Å; D243-W246 PolarHBondContact OD1-N 3.22Å; D243-W246 VanDerWaalsContact OD2-CB 3.32Å; D243-W246 WeakPolarHBondContact OD2-CB 3.27Å; W246-S248 VanDerWaalsContact C-N 3.29Å; W246-S248 PolarHBondContact O-N 3.09Å; W246-C249 HydrophobicContact CE3-CB 3.59Å; W246-C249 HydrophobicContact CZ3-CB 3.84Å; W246-C249 WeakPolarHBondContact O-CA 3.22Å; W246-C249 VanDerWaalsContact O-CB 3.29Å; W246-C249 WeakPolarHBondContact O-CB 3.34Å; W246-C249 PolarHBondContact O-N 3.28Å; W246-V250 HydrophobicContact CD2-CG2 3.77Å; W246-V250 HydrophobicContact CE3-CG2 3.97Å; W246-V250 HydrophobicContact CG-CG2 4.46Å; W246-V250 HydrophobicContact CH2-CG2 3.87Å; W246-V250 HydrophobicContact CZ2-CG2 3.66Å; W246-V250 HydrophobicContact CZ3-CG2 4Å; W246-V250 WeakPolarHBondContact O-CG2 3.45Å; W246-V250 PolarHBondContact O-N 3.43Å; W246-M253 HydrophobicContact CH2-CE 4.04Å; W246-M253 HydrophobicContact CZ3-CE 4.15Å; W246-A318 HydrophobicContact CH2-CB 4.05Å; W246-A318 HydrophobicContact CZ2-CB 4.11Å; W246-C322 HydrophobicContact CD2-CB 4.14Å; W246-C322 HydrophobicContact CE3-CB 4.32Å; W246-C322 HydrophobicContact CG-CB 4.37Å; W246-C322 VanDerWaalsContact CH2-SG 3.55Å; W246-C322 WeakPolarHBondContact CZ3-SG 3.27Å
247R96.3Very high95.5Very high113 Ų11353.6 Ų53.643%0.42629%0.286SS..Hα-helixtrans-52.7-46.3173.1-170.6170.768.6107.8-1.1112.3F233 L237 D243 N244 C249 V250 T251F233-R247 HydrophobicContact CE2-CG 4.11Å; F233-R247 HydrophobicContact CZ-CG 3.79Å; L237-R247 HydrophobicContact CD1-CB 4.35Å; L237-R247 HydrophobicContact CD1-CG 4.01Å; L237-R247 HydrophobicContact CD2-CB 4.2Å; D243-R247 VanDerWaalsContact O-CB 3.23Å; D243-R247 WeakPolarHBondContact O-CB 3.45Å; D243-R247 PolarHBondContact O-N 3.29Å; N244-R247 PolarHBondContact OD1-NE 3.42Å; N244-R247 PolarHBondContact OD1-NH2 2.92Å; R247-C249 VanDerWaalsContact C-N 3.34Å; R247-C249 PolarHBondContact O-N 3.31Å; R247-V250 PolarHBondContact O-N 3.11Å; R247-T251 WeakPolarHBondContact O-CB 3.26Å; R247-T251 PolarHBondContact O-N 3.09Å; R247-T251 PolarHBondContact O-OG1 3.24Å
248S95.1Very high95.4Very high33 Ų3360.9 Ų60.923%0.23132%0.318CS..Hα-helixtrans-62.4-39.1175.2173.70000112.6R200 N244 S245 W246 N252R200-S248 WeakPolarHBondContact CD-OG 3.4Å; R200-S248 VanDerWaalsContact NH1-CB 3.26Å; R200-S248 PolarHBondContact NH1-OG 3.1Å; N244-S248 VanDerWaalsContact O-CB 3.27Å; N244-S248 WeakPolarHBondContact O-CB 3.27Å; N244-S248 PolarHBondContact O-N 2.93Å; S245-S248 PolarHBondContact O-N 3.3Å; W246-S248 VanDerWaalsContact C-N 3.29Å; W246-S248 PolarHBondContact O-N 3.09Å; S248-N252 WeakPolarHBondContact O-CB 3.48Å; S248-N252 PolarHBondContact O-N 2.99Å; S248-N252 PolarHBondContact O-ND2 2.9Å; S248-N252 PolarHBondContact O-OD1 2.81Å
249C96.6Very high95.5Very high0 Ų061 Ų610%033%0.327CS..Hα-helixtrans-63.9-47.3176.1-172.40000111.8R200 S245 W246 R247 N252 M253R200-C249 HydrophobicContact CB-CB 4.05Å; R200-C249 WeakPolarHBondContact O-CA 3.47Å; R200-C249 PolarHBondContact O-SG 2.85Å; S245-C249 PolarHBondContact O-N 2.9Å; W246-C249 HydrophobicContact CE3-CB 3.59Å; W246-C249 HydrophobicContact CZ3-CB 3.84Å; W246-C249 WeakPolarHBondContact O-CA 3.22Å; W246-C249 VanDerWaalsContact O-CB 3.29Å; W246-C249 WeakPolarHBondContact O-CB 3.34Å; W246-C249 PolarHBondContact O-N 3.28Å; R247-C249 VanDerWaalsContact C-N 3.34Å; R247-C249 PolarHBondContact O-N 3.31Å; C249-N252 PolarHBondContact O-N 2.93Å; C249-M253 WeakPolarHBondContact O-CG 3.47Å; C249-M253 PolarHBondContact O-N 3.25Å
250V97.7Very high95.6Very high0 Ų062.9 Ų62.90%032%0.318CS..Hα-helixtrans-62.2-45.5177.5-1790000110.6F233 L236 L237 W246 R247 N252 M253 L254F233-V250 HydrophobicContact CB-CG1 4.44Å; F233-V250 HydrophobicContact CD2-CB 4.36Å; F233-V250 HydrophobicContact CD2-CG1 3.69Å; F233-V250 HydrophobicContact CE2-CG1 4.38Å; F233-V250 HydrophobicContact CG-CG1 4.37Å; L236-V250 HydrophobicContact CB-CG1 4.18Å; L236-V250 HydrophobicContact CB-CG2 3.92Å; L236-V250 HydrophobicContact CD1-CG1 3.76Å; L236-V250 HydrophobicContact CD1-CG2 4.14Å; L237-V250 HydrophobicContact CD2-CG2 4.29Å; W246-V250 HydrophobicContact CD2-CG2 3.77Å; W246-V250 HydrophobicContact CE3-CG2 3.97Å; W246-V250 HydrophobicContact CG-CG2 4.46Å; W246-V250 HydrophobicContact CH2-CG2 3.87Å; W246-V250 HydrophobicContact CZ2-CG2 3.66Å; W246-V250 HydrophobicContact CZ3-CG2 4Å; W246-V250 WeakPolarHBondContact O-CG2 3.45Å; W246-V250 PolarHBondContact O-N 3.43Å; R247-V250 PolarHBondContact O-N 3.11Å; V250-N252 PolarHBondContact O-N 3.41Å; V250-M253 HydrophobicContact CG2-CE 4.38Å; V250-M253 PolarHBondContact O-N 3.02Å; V250-L254 HydrophobicContact CG1-CD1 4.05Å; V250-L254 WeakPolarHBondContact O-CG 3.48Å; V250-L254 PolarHBondContact O-N 3.18Å; V250-L254 VanDerWaalsContact O-N 3.08Å
251T97.3Very high95.8Very high44 Ų4464.2 Ų64.227%0.2734%0.337SS..Hα-helixtrans-57.9-46.7175.9-61.60000111.9R247 M253 L254 M255R247-T251 WeakPolarHBondContact O-CB 3.26Å; R247-T251 PolarHBondContact O-N 3.09Å; R247-T251 PolarHBondContact O-OG1 3.24Å; T251-M253 PolarHBondContact O-N 3.32Å; T251-L254 PolarHBondContact O-N 3.36Å; T251-M255 HydrophobicContact CG2-CE 3.69Å; T251-M255 HydrophobicContact CG2-CG 4.28Å; T251-M255 HydrophobicContact CG2-SD 4Å; T251-M255 WeakPolarHBondContact O-CB 3.48Å; T251-M255 WeakPolarHBondContact O-CG 3.35Å; T251-M255 PolarHBondContact O-N 3.09Å
252N97.2Very high96Very high46 Ų4659 Ų5925%0.24631%0.313CS..Hα-helixtrans-61.1-46.2179.6-71.9-7.8000111.6S248 C249 V250 L254 M255 D256S248-N252 WeakPolarHBondContact O-CB 3.48Å; S248-N252 PolarHBondContact O-N 2.99Å; S248-N252 PolarHBondContact O-ND2 2.9Å; S248-N252 PolarHBondContact O-OD1 2.81Å; C249-N252 PolarHBondContact O-N 2.93Å; V250-N252 PolarHBondContact O-N 3.41Å; N252-L254 VanDerWaalsContact C-N 3.33Å; N252-L254 PolarHBondContact O-N 2.95Å; N252-M255 PolarHBondContact O-N 3.47Å; N252-D256 PolarHBondContact O-N 3.33Å
253M97.9Very high96.2Very high8 Ų854.2 Ų54.24%0.03930%0.299CS..Hα-helixtrans-61.6-39.8179.6-68-173-64.600112.5R201 M202 F217 A218 W246 C249 V250 T251 L257R201-M253 HydrophobicContact CB-CG 4.41Å; R201-M253 HydrophobicContact CG-CG 4.46Å; M202-M253 HydrophobicContact CB-SD 3.74Å; M202-M253 HydrophobicContact CG-SD 4.16Å; M202-M253 PolarHBondContact N-SD 3.46Å; M202-M253 VanDerWaalsContact N-SD 3.38Å; F217-M253 HydrophobicContact CB-SD 4.39Å; F217-M253 HydrophobicContact CD1-SD 4.46Å; A218-M253 HydrophobicContact CB-CB 3.77Å; W246-M253 HydrophobicContact CH2-CE 4.04Å; W246-M253 HydrophobicContact CZ3-CE 4.15Å; C249-M253 WeakPolarHBondContact O-CG 3.47Å; C249-M253 PolarHBondContact O-N 3.25Å; V250-M253 HydrophobicContact CG2-CE 4.38Å; V250-M253 PolarHBondContact O-N 3.02Å; T251-M253 PolarHBondContact O-N 3.32Å; M253-L257 PolarHBondContact O-N 3.11Å
254L97.9Very high96.4Very high16 Ų1654 Ų548%0.08430%0.3CS..Hα-helixtrans-73-35.7177-66.2174.2000112.3D229 I232 F233 V250 T251 N252 D256 L257 K258D229-L254 HydrophobicContact CB-CD1 4.48Å; D229-L254 HydrophobicContact CB-CD2 4.49Å; I232-L254 HydrophobicContact CB-CD2 4.31Å; I232-L254 HydrophobicContact CG2-CD2 4.05Å; F233-L254 HydrophobicContact CB-CD1 3.77Å; F233-L254 HydrophobicContact CD2-CD1 4.14Å; F233-L254 HydrophobicContact CG-CD1 4.47Å; V250-L254 HydrophobicContact CG1-CD1 4.05Å; V250-L254 WeakPolarHBondContact O-CG 3.48Å; V250-L254 PolarHBondContact O-N 3.18Å; V250-L254 VanDerWaalsContact O-N 3.08Å; T251-L254 PolarHBondContact O-N 3.36Å; N252-L254 VanDerWaalsContact C-N 3.33Å; N252-L254 PolarHBondContact O-N 2.95Å; L254-D256 VanDerWaalsContact C-N 3.33Å; L254-L257 HydrophobicContact CD2-CD1 4.41Å; L254-L257 PolarHBondContact O-N 2.91Å; L254-K258 PolarHBondContact O-N 3.44Å
255M97.3Very high96.7Very high113 Ų11351.2 Ų51.256%0.55728%0.284SS*.Hα-helixtrans-62.5-40.4173.6-78.8-176.1174.500111.7T251 N252 L257 K258 T259T251-M255 HydrophobicContact CG2-CE 3.69Å; T251-M255 HydrophobicContact CG2-CG 4.28Å; T251-M255 HydrophobicContact CG2-SD 4Å; T251-M255 WeakPolarHBondContact O-CB 3.48Å; T251-M255 WeakPolarHBondContact O-CG 3.35Å; T251-M255 PolarHBondContact O-N 3.09Å; N252-M255 PolarHBondContact O-N 3.47Å; M255-L257 VanDerWaalsContact C-N 3.32Å; M255-L257 PolarHBondContact O-N 3.39Å; M255-K258 PolarHBondContact O-N 3.34Å; M255-K258 VanDerWaalsContact O-N 3.16Å; M255-T259 PolarHBondContact O-N 3.12Å; M255-T259 PolarHBondContact O-OG1 2.99Å
256D97.2Very high97Very high51 Ų5152.8 Ų52.827%0.27329%0.292SS..Hα-helixtrans-58.2-44.6177.1-63.6-29.7000111R201 N252 L254 K258 T259 E260R201-D256 WeakPolarHBondContact CD-OD2 3.46Å; R201-D256 IonicContact CZ-OD1 3.53Å; R201-D256 IonicContact CZ-OD2 3.77Å; R201-D256 IonicContact NE-OD1 2.74Å; R201-D256 PolarHBondContact NE-OD1 2.88Å; R201-D256 IonicContact NE-OD2 3.61Å; R201-D256 PolarHBondContact NE-OD2 3.49Å; R201-D256 IonicContact NH2-OD1 2.81Å; R201-D256 PolarHBondContact NH2-OD1 3.2Å; R201-D256 IonicContact NH2-OD2 3.48Å; N252-D256 PolarHBondContact O-N 3.33Å; L254-D256 VanDerWaalsContact C-N 3.33Å; D256-K258 VanDerWaalsContact C-N 3.32Å; D256-K258 PolarHBondContact O-N 3.1Å; D256-T259 PolarHBondContact O-N 3.04Å; D256-E260 PolarHBondContact O-N 3.11Å; D256-E260 VanDerWaalsContact O-N 3.08Å
257L97.7Very high97.1Very high3 Ų355 Ų552%0.01630%0.304CS..Hα-helixtrans-58.4-44.5175.8-62.5-176000112A218 L219 K222 M253 L254 M255 T259 E260 G261 I262A218-L257 HydrophobicContact CB-CD1 3.88Å; A218-L257 HydrophobicContact CB-CG 4.27Å; L219-L257 HydrophobicContact CB-CD2 3.83Å; L219-L257 HydrophobicContact CD1-CD2 4.11Å; K222-L257 HydrophobicContact CB-CD1 4.2Å; M253-L257 PolarHBondContact O-N 3.11Å; L254-L257 HydrophobicContact CD2-CD1 4.41Å; L254-L257 PolarHBondContact O-N 2.91Å; M255-L257 VanDerWaalsContact C-N 3.32Å; M255-L257 PolarHBondContact O-N 3.39Å; L257-T259 VanDerWaalsContact C-N 3.33Å; L257-T259 PolarHBondContact O-N 2.92Å; L257-E260 CarbonylContact O-C 3.58Å; L257-E260 PolarHBondContact O-N 3.22Å; L257-E260 VanDerWaalsContact O-N 3.17Å; L257-G261 PolarHBondContact O-N 2.84Å; L257-I262 HydrophobicContact CB-CB 4.29Å; L257-I262 HydrophobicContact CD2-CD1 4.36Å; L257-I262 WeakPolarHBondContact O-CB 3.34Å; L257-I262 PolarHBondContact O-N 2.75Å
258K96.5Very high97.2Very high160 Ų16049.6 Ų49.670%0.69628%0.283SS*.Hα-helixtrans-64.5-38.7179.1-172.9173.8-177.9175.60112L254 M255 D256 E260 G261L254-K258 PolarHBondContact O-N 3.44Å; M255-K258 PolarHBondContact O-N 3.34Å; M255-K258 VanDerWaalsContact O-N 3.16Å; D256-K258 VanDerWaalsContact C-N 3.32Å; D256-K258 PolarHBondContact O-N 3.1Å; K258-E260 VanDerWaalsContact C-N 3.25Å; K258-E260 PolarHBondContact O-N 3.44Å; K258-G261 PolarHBondContact O-N 3.32Å
259T97Very high97.4Very high124 Ų12448.6 Ų48.676%0.76128%0.275SS*.Hα-helixtrans-63.2-33.7175-61.50000111.8M255 D256 L257 G261M255-T259 PolarHBondContact O-N 3.12Å; M255-T259 PolarHBondContact O-OG1 2.99Å; D256-T259 PolarHBondContact O-N 3.04Å; L257-T259 VanDerWaalsContact C-N 3.33Å; L257-T259 PolarHBondContact O-N 2.92Å; T259-G261 VanDerWaalsContact C-N 3.25Å; T259-G261 PolarHBondContact O-N 2.75Å
260E96Very high97.4Very high103 Ų10354 Ų5448%0.48130%0.299SS..THydrogen-bonded Turntrans-81.71.9173.9-66.5-174.6179.700113.9D256 L257 K258 I262 H271D256-E260 PolarHBondContact O-N 3.11Å; D256-E260 VanDerWaalsContact O-N 3.08Å; L257-E260 CarbonylContact O-C 3.58Å; L257-E260 PolarHBondContact O-N 3.22Å; L257-E260 VanDerWaalsContact O-N 3.17Å; K258-E260 VanDerWaalsContact C-N 3.25Å; K258-E260 PolarHBondContact O-N 3.44Å; E260-I262 VanDerWaalsContact C-N 3.32Å; E260-I262 HydrophobicContact CB-CD1 3.99Å; E260-I262 HydrophobicContact CB-CG1 4.05Å; E260-H271 IonicContact OE2-CE1 3.84Å; E260-H271 PolarHBondContact OE2-CE1 3.28Å; E260-H271 IonicContact OE2-NE2 3.11Å
261G96.4Very high97.4Very high55 Ų5556.5 Ų56.557%0.56731%0.31SS*.THydrogen-bonded Turntrans73.920.3179.600000114.2L257 K258 T259L257-G261 PolarHBondContact O-N 2.84Å; K258-G261 PolarHBondContact O-N 3.32Å; T259-G261 VanDerWaalsContact C-N 3.25Å; T259-G261 PolarHBondContact O-N 2.75Å
262I97.9Very high97.4Very high5 Ų554.4 Ų54.43%0.02630%0.298CS..  trans-93.3109.9-177.6-56.5176.8000108.9L219 K222 L257 E260 D267 A268 H271L219-I262 HydrophobicContact CD1-CD1 3.56Å; L219-I262 HydrophobicContact CD1-CG2 4.26Å; K222-I262 HydrophobicContact CG-CG2 4.42Å; L257-I262 HydrophobicContact CB-CB 4.29Å; L257-I262 HydrophobicContact CD2-CD1 4.36Å; L257-I262 WeakPolarHBondContact O-CB 3.34Å; L257-I262 PolarHBondContact O-N 2.75Å; E260-I262 VanDerWaalsContact C-N 3.32Å; E260-I262 HydrophobicContact CB-CD1 3.99Å; E260-I262 HydrophobicContact CB-CG1 4.05Å; I262-D267 HydrophobicContact CB-CB 4.48Å; I262-D267 HydrophobicContact CG2-CB 4.04Å; I262-A268 HydrophobicContact CG2-CB 3.85Å; I262-H271 HydrophobicContact CD1-CB 3.92Å; I262-H271 HydrophobicContact CG1-CB 4.5Å
263S95.6Very high97.4Very high81 Ų8152.2 Ų52.257%0.56629%0.286SS*.  trans-119.5-31.2-174.567.70000114.2K222 D267K222-S263 WeakPolarHBondContact CE-O 3.48Å; K222-S263 PolarHBondContact NZ-O 3.45Å; S263-D267 PolarHBondContact N-OD2 3.17Å; S263-D267 VanDerWaalsContact N-OD2 3.09Å; S263-D267 PolarHBondContact OG-OD2 2.67Å
264S97.5Very high97.3Very high23 Ų2357.3 Ų57.316%0.16131%0.31CS..SBendtrans-115.7170.4-178.665.20000112.7T266 D267 A268S264-T266 VanDerWaalsContact C-N 3.26Å; S264-T266 PolarHBondContact O-N 2.87Å; S264-D267 PolarHBondContact N-OD2 2.78Å; S264-D267 PolarHBondContact O-N 2.65Å; S264-D267 PolarHBondContact OG-N 2.72Å; S264-D267 VanDerWaalsContact OG-N 3.11Å; S264-D267 PolarHBondContact OG-OD1 3.07Å; S264-D267 PolarHBondContact OG-OD2 3.3Å; S264-A268 PolarHBondContact O-N 2.91Å
265Q98.1Very high97.1Very high44 Ų4460.6 Ų60.621%0.20633%0.325CS..Hα-helixtrans-61.7-40.4171.6-171.3-170.516.600110.7K222 A223 E226 D267 A268 L269K222-Q265 WeakPolarHBondContact O-CA 3.29Å; K222-Q265 WeakPolarHBondContact O-CG 3.37Å; A223-Q265 VanDerWaalsContact O-CG 3.29Å; A223-Q265 WeakPolarHBondContact O-CG 3.41Å; A223-Q265 PolarHBondContact O-NE2 3.21Å; E226-Q265 HydrophobicContact CB-CB 4.09Å; E226-Q265 WeakPolarHBondContact OE2-CA 3.46Å; E226-Q265 WeakPolarHBondContact OE2-CB 3.45Å; E226-Q265 PolarHBondContact OE2-N 3.22Å; Q265-D267 VanDerWaalsContact C-N 3.32Å; Q265-D267 PolarHBondContact O-N 3.4Å; Q265-A268 WeakPolarHBondContact O-CB 3.46Å; Q265-A268 PolarHBondContact O-N 3.43Å; Q265-L269 HydrophobicContact CG-CD1 4.02Å; Q265-L269 HydrophobicContact CG-CG 4.39Å; Q265-L269 WeakPolarHBondContact O-CG 3.37Å; Q265-L269 PolarHBondContact O-N 2.93Å
266T98.1Very high96.8Very high81 Ų8155.2 Ų55.250%0.49730%0.299SS..Hα-helixtrans-62.4-40.9179.8-58.50000111.3S264 A268 L269 K270S264-T266 VanDerWaalsContact C-N 3.26Å; S264-T266 PolarHBondContact O-N 2.87Å; T266-A268 VanDerWaalsContact C-N 3.35Å; T266-L269 PolarHBondContact O-N 3.22Å; T266-K270 VanDerWaalsContact O-CB 3.27Å; T266-K270 WeakPolarHBondContact O-CB 3.27Å; T266-K270 PolarHBondContact O-N 3.08Å
267D98Very high96.5Very high52 Ų5255.8 Ų55.828%0.27830%0.298SS..Hα-helixtrans-61.4-45.2175-60.4-33.3000111I262 S263 S264 Q265 K270 H271I262-D267 HydrophobicContact CB-CB 4.48Å; I262-D267 HydrophobicContact CG2-CB 4.04Å; S263-D267 PolarHBondContact N-OD2 3.17Å; S263-D267 VanDerWaalsContact N-OD2 3.09Å; S263-D267 PolarHBondContact OG-OD2 2.67Å; S264-D267 PolarHBondContact N-OD2 2.78Å; S264-D267 PolarHBondContact O-N 2.65Å; S264-D267 PolarHBondContact OG-N 2.72Å; S264-D267 VanDerWaalsContact OG-N 3.11Å; S264-D267 PolarHBondContact OG-OD1 3.07Å; S264-D267 PolarHBondContact OG-OD2 3.3Å; Q265-D267 VanDerWaalsContact C-N 3.32Å; Q265-D267 PolarHBondContact O-N 3.4Å; D267-K270 PolarHBondContact O-N 3.31Å; D267-H271 WeakPolarHBondContact O-CB 3.49Å; D267-H271 PolarHBondContact O-N 3.35Å
268A98.4Very high96.1Very high0 Ų062.9 Ų62.90%033%0.334CS..Hα-helixtrans-62.6-46.3179.800000111.7L219 K222 A223 I262 S264 Q265 T266 H271 I272L219-A268 HydrophobicContact CD1-CB 3.78Å; K222-A268 HydrophobicContact CB-CB 4.06Å; K222-A268 HydrophobicContact CG-CB 3.86Å; A223-A268 HydrophobicContact CB-CB 4.01Å; I262-A268 HydrophobicContact CG2-CB 3.85Å; S264-A268 PolarHBondContact O-N 2.91Å; Q265-A268 WeakPolarHBondContact O-CB 3.46Å; Q265-A268 PolarHBondContact O-N 3.43Å; T266-A268 VanDerWaalsContact C-N 3.35Å; A268-H271 PolarHBondContact O-N 3.33Å; A268-I272 VanDerWaalsContact O-CG1 3.31Å; A268-I272 WeakPolarHBondContact O-CG1 3.3Å; A268-I272 PolarHBondContact O-N 3.46Å
269L98.4Very high95.5Very high12 Ų1258.7 Ų58.76%0.06332%0.319CS..Hα-helixtrans-62.8-43.3176.5-69.4170.2000111.7A223 Q265 T266 H271 I272 G273 G292 Q293 I296A223-L269 HydrophobicContact CB-CD2 3.92Å; A223-L269 HydrophobicContact CB-CG 4.3Å; Q265-L269 HydrophobicContact CG-CD1 4.02Å; Q265-L269 HydrophobicContact CG-CG 4.39Å; Q265-L269 WeakPolarHBondContact O-CG 3.37Å; Q265-L269 PolarHBondContact O-N 2.93Å; T266-L269 PolarHBondContact O-N 3.22Å; L269-H271 VanDerWaalsContact C-N 3.35Å; L269-H271 PolarHBondContact O-N 2.85Å; L269-I272 PolarHBondContact O-N 2.57Å; L269-G273 PolarHBondContact O-N 3.26Å; L269-G292 WeakPolarHBondContact O-CA 3.4Å; L269-Q293 HydrophobicContact CD2-CB 4.29Å; L269-I296 HydrophobicContact CD2-CG1 4.17Å
270K97.9Very high95Very high112 Ų11253.9 Ų53.949%0.48729%0.288SS..Hα-helixtrans-61.1-45176.4-172.3-175.8176.6-175.40111.1T266 D267 G273 E274 H288T266-K270 VanDerWaalsContact O-CB 3.27Å; T266-K270 WeakPolarHBondContact O-CB 3.27Å; T266-K270 PolarHBondContact O-N 3.08Å; D267-K270 PolarHBondContact O-N 3.31Å; K270-G273 PolarHBondContact O-N 2.77Å; K270-E274 WeakPolarHBondContact O-CB 3.42Å; K270-E274 PolarHBondContact O-N 2.82Å; K270-H288 HydrophobicContact CG-CB 3.87Å
271H97.7Very high94.5Very high53 Ų5357.1 Ų57.125%0.24530%0.304CS..Hα-helixtrans-62.1-46.2178.6-172.798000111.7E260 I262 D267 A268 L269 G273 E274 M275E260-H271 IonicContact OE2-CE1 3.84Å; E260-H271 PolarHBondContact OE2-CE1 3.28Å; E260-H271 IonicContact OE2-NE2 3.11Å; I262-H271 HydrophobicContact CD1-CB 3.92Å; I262-H271 HydrophobicContact CG1-CB 4.5Å; D267-H271 WeakPolarHBondContact O-CB 3.49Å; D267-H271 PolarHBondContact O-N 3.35Å; A268-H271 PolarHBondContact O-N 3.33Å; L269-H271 VanDerWaalsContact C-N 3.35Å; L269-H271 PolarHBondContact O-N 2.85Å; H271-G273 PolarHBondContact O-N 3Å; H271-E274 PolarHBondContact O-N 3.41Å; H271-M275 PolarHBondContact O-N 3.06Å
272I97.4Very high93.9Very high0 Ų055.5 Ų55.50%029%0.285CS..Hα-helixtrans-59.6-47.9174.8-68.4172.2000110.6L219 A223 A268 L269 E274 M275 L276 F295 I296L219-I272 HydrophobicContact CD1-CG1 4.5Å; L219-I272 HydrophobicContact CD2-CD1 4.34Å; L219-I272 HydrophobicContact CD2-CG1 3.73Å; L219-I272 HydrophobicContact CG-CD1 4.12Å; L219-I272 HydrophobicContact CG-CG1 3.99Å; A223-I272 HydrophobicContact CB-CD1 3.79Å; A268-I272 VanDerWaalsContact O-CG1 3.31Å; A268-I272 WeakPolarHBondContact O-CG1 3.3Å; A268-I272 PolarHBondContact O-N 3.46Å; L269-I272 PolarHBondContact O-N 2.57Å; I272-E274 VanDerWaalsContact C-N 3.34Å; I272-E274 PolarHBondContact O-N 2.72Å; I272-M275 PolarHBondContact O-N 3.05Å; I272-L276 HydrophobicContact CG2-CD1 3.6Å; I272-L276 HydrophobicContact CG2-CG 4.45Å; I272-L276 WeakPolarHBondContact O-CB 3.46Å; I272-L276 WeakPolarHBondContact O-CG 3.27Å; I272-L276 PolarHBondContact O-N 3.36Å; I272-L276 VanDerWaalsContact O-N 3.12Å; I272-F295 HydrophobicContact CG2-CD1 3.99Å; I272-I296 HydrophobicContact CD1-CD1 3.89Å; I272-I296 HydrophobicContact CD1-CG1 4.23Å
273G96.8Very high93.2Very high0 Ų057.9 Ų57.90%030%0.301CS..Hα-helixtrans-66.7-34.5-178.500000113.9L269 K270 H271 L276 R277 H288L269-G273 PolarHBondContact O-N 3.26Å; K270-G273 PolarHBondContact O-N 2.77Å; H271-G273 PolarHBondContact O-N 3Å; G273-L276 PolarHBondContact O-N 3.34Å; G273-R277 WeakPolarHBondContact O-CB 3.36Å; G273-R277 PolarHBondContact O-N 3.04Å; G273-H288 WeakPolarHBondContact CA-O 3.4Å
274E95.6Very high92.7Very high115 Ų11558.3 Ų58.354%0.53731%0.309SS..Hα-helixtrans-63.7-47.7174-174.6165.6178.700111.4K270 H271 I272 L276 H288K270-E274 WeakPolarHBondContact O-CB 3.42Å; K270-E274 PolarHBondContact O-N 2.82Å; H271-E274 PolarHBondContact O-N 3.41Å; I272-E274 VanDerWaalsContact C-N 3.34Å; I272-E274 PolarHBondContact O-N 2.72Å; E274-L276 PolarHBondContact O-N 2.75Å; E274-H288 WeakPolarHBondContact CB-ND1 3.32Å; E274-H288 IonicContact OE2-ND1 3.61Å
275M93.2Very high92.1Very high85 Ų8561.4 Ų61.442%0.41932%0.32SS..Hα-helixtrans-57.2-36.5176.4-176.2-172.3-57.600112.2L215 H271 I272L215-M275 HydrophobicContact CD2-CE 4.39Å; L215-M275 HydrophobicContact CD2-SD 3.87Å; H271-M275 PolarHBondContact O-N 3.06Å; I272-M275 PolarHBondContact O-N 3.05Å
276L91.9Very high91.7Very high1 Ų160.4 Ų60.41%0.00532%0.316CS..Hα-helixtrans-100.1-12.4-169.2-62.4177.6000114.3F213 I272 G273 E274 I278 D279 L280 F295F213-L276 HydrophobicContact CD1-CD2 3.19Å; F213-L276 HydrophobicContact CE1-CD2 3.33Å; F213-L276 HydrophobicContact CG-CD2 4.05Å; F213-L276 HydrophobicContact CZ-CD2 4.28Å; I272-L276 HydrophobicContact CG2-CD1 3.6Å; I272-L276 HydrophobicContact CG2-CG 4.45Å; I272-L276 WeakPolarHBondContact O-CB 3.46Å; I272-L276 WeakPolarHBondContact O-CG 3.27Å; I272-L276 PolarHBondContact O-N 3.36Å; I272-L276 VanDerWaalsContact O-N 3.12Å; G273-L276 PolarHBondContact O-N 3.34Å; E274-L276 PolarHBondContact O-N 2.75Å; L276-I278 VanDerWaalsContact C-N 3.29Å; L276-I278 PolarHBondContact O-N 3.29Å; L276-D279 PolarHBondContact O-N 2.92Å; L276-D279 VanDerWaalsContact O-N 3.11Å; L276-L280 HydrophobicContact CB-CD1 3.75Å; L276-L280 HydrophobicContact CB-CG 3.98Å; L276-L280 HydrophobicContact CD1-CD1 4.37Å; L276-L280 WeakPolarHBondContact O-CB 3.44Å; L276-L280 VanDerWaalsContact O-CG 3.29Å; L276-L280 WeakPolarHBondContact O-CG 3.33Å; L276-L280 PolarHBondContact O-N 3.2Å; L276-F295 HydrophobicContact CD1-CB 3.98Å; L276-F295 HydrophobicContact CD1-CD1 3.53Å; L276-F295 HydrophobicContact CD1-CD2 3.45Å; L276-F295 VanDerWaalsContact CD1-CD2 3.45Å; L276-F295 HydrophobicContact CD1-CE1 3.78Å; L276-F295 HydrophobicContact CD1-CE2 3.66Å; L276-F295 HydrophobicContact CD1-CG 3.34Å; L276-F295 HydrophobicContact CD1-CZ 3.81Å
277R91.1Very high91.6Very high63 Ų6359.1 Ų59.124%0.23831%0.31CS..THydrogen-bonded Turntrans-51.8-46.5-171.6-174.6176.8-172.888.2-6.9113G273 Q281 A282 A284 L286 H288 I291G273-R277 WeakPolarHBondContact O-CB 3.36Å; G273-R277 PolarHBondContact O-N 3.04Å; R277-Q281 PolarHBondContact O-N 3.48Å; R277-A282 HydrophobicContact CG-CB 4.24Å; R277-A282 PolarHBondContact O-N 2.71Å; R277-A282 VanDerWaalsContact O-N 3.09Å; R277-A284 PolarHBondContact NH2-O 3.14Å; R277-L286 PolarHBondContact NH1-O 2.79Å; R277-H288 WeakPolarHBondContact CD-NE2 3.4Å; R277-I291 HydrophobicContact CB-CD1 4.34Å; R277-I291 HydrophobicContact CG-CD1 4.01Å
278I87.8Confident91.5Very high151 Ų15159.2 Ų59.277%0.77431%0.309SS*.THydrogen-bonded Turntrans-69.9-48.6-179.4-59.7176000110.1L276 L280 Q281L276-I278 VanDerWaalsContact C-N 3.29Å; L276-I278 PolarHBondContact O-N 3.29Å; I278-L280 VanDerWaalsContact C-N 3.27Å; I278-L280 PolarHBondContact O-N 3.11Å; I278-Q281 PolarHBondContact O-N 3.2Å; I278-Q281 VanDerWaalsContact O-N 3.1Å
279D85.7Confident91.4Very high73 Ų7360.7 Ų60.739%0.3932%0.321SS..THydrogen-bonded Turntrans-63.5-32.2-177.6-84.3-37.9000113.5R211 F213 L276R211-D279 IonicContact NH1-OD1 2.78Å; R211-D279 PolarHBondContact NH1-OD1 2.88Å; F213-D279 HydrophobicContact CE1-CB 3.8Å; F213-D279 HydrophobicContact CZ-CB 3.98Å; L276-D279 PolarHBondContact O-N 2.92Å; L276-D279 VanDerWaalsContact O-N 3.11Å
280L84.7Confident91.3Very high22 Ų2264.6 Ų64.612%0.11534%0.339CS..THydrogen-bonded Turntrans-87.1-7.4178.6-61.8-175.6000113.4H208 F213 L276 I278 A282 I291 F295H208-L280 VanDerWaalsContact CE1-CD2 3.47Å; H208-L280 WeakPolarHBondContact CE1-CD2 3.42Å; H208-L280 WeakPolarHBondContact ND1-CD2 3.4Å; F213-L280 HydrophobicContact CZ-CD2 4.28Å; L276-L280 HydrophobicContact CB-CD1 3.75Å; L276-L280 HydrophobicContact CB-CG 3.98Å; L276-L280 HydrophobicContact CD1-CD1 4.37Å; L276-L280 WeakPolarHBondContact O-CB 3.44Å; L276-L280 VanDerWaalsContact O-CG 3.29Å; L276-L280 WeakPolarHBondContact O-CG 3.33Å; L276-L280 PolarHBondContact O-N 3.2Å; I278-L280 VanDerWaalsContact C-N 3.27Å; I278-L280 PolarHBondContact O-N 3.11Å; L280-A282 PolarHBondContact O-N 3.37Å; L280-I291 HydrophobicContact CD1-CG2 3.93Å; L280-F295 HydrophobicContact CD1-CD2 4.08Å
281Q85.6Confident91.2Very high171 Ų17159.4 Ų59.480%0.79932%0.316SS*.THydrogen-bonded Turntrans4946.4-170.8-59.2175.89.100110.7R277 I278R277-Q281 PolarHBondContact O-N 3.48Å; I278-Q281 PolarHBondContact O-N 3.2Å; I278-Q281 VanDerWaalsContact O-N 3.1Å
282A84.7Confident91.1Very high21 Ų2156.9 Ų56.917%0.17431%0.305CS..  trans-66.5138.6-172.500000110.7R277 L280 I291R277-A282 HydrophobicContact CG-CB 4.24Å; R277-A282 PolarHBondContact O-N 2.71Å; R277-A282 VanDerWaalsContact O-N 3.09Å; L280-A282 PolarHBondContact O-N 3.37Å; A282-I291 HydrophobicContact CB-CD1 3.4Å; A282-I291 HydrophobicContact CB-CG1 3.82Å; A282-I291 HydrophobicContact CB-CG2 4.44Å
283P84Confident91.1Very high55 Ų5559.8 Ų59.836%0.35732%0.319SS..  trans-55.5144176.5-24.832000112.7F285 L286P283-F285 HydrophobicContact CB-CD1 3.58Å; P283-F285 HydrophobicContact CB-CE1 3.2Å; P283-F285 HydrophobicContact CB-CE2 4.26Å; P283-F285 HydrophobicContact CB-CG 4.27Å; P283-F285 HydrophobicContact CB-CZ 3.57Å; P283-F285 HydrophobicContact CG-CE1 3.95Å; P283-F285 HydrophobicContact CG-CZ 3.93Å; P283-F285 PolarHBondContact O-N 2.93Å; P283-F285 VanDerWaalsContact O-N 3.12Å; P283-L286 HydrophobicContact CG-CD1 4.39Å; P283-L286 PolarHBondContact O-N 2.82Å; P283-L286 VanDerWaalsContact O-N 3.13Å
284A85.2Confident90.9Very high90 Ų9063 Ų6374%0.74433%0.334SS*.THydrogen-bonded Turntrans-57.5-32.6-176.200000113.2R277 L286R277-A284 PolarHBondContact NH2-O 3.14Å; A284-L286 VanDerWaalsContact C-N 3.32Å; A284-L286 PolarHBondContact O-N 3.3Å
285F84.9Confident90.9Very high89 Ų8957.7 Ų57.739%0.3931%0.308SS..THydrogen-bonded Turntrans-74.3-14.8-177.164.3-101.7000114.8V31 P283V31-F285 HydrophobicContact CG1-CZ 4.24Å; P283-F285 HydrophobicContact CB-CD1 3.58Å; P283-F285 HydrophobicContact CB-CE1 3.2Å; P283-F285 HydrophobicContact CB-CE2 4.26Å; P283-F285 HydrophobicContact CB-CG 4.27Å; P283-F285 HydrophobicContact CB-CZ 3.57Å; P283-F285 HydrophobicContact CG-CE1 3.95Å; P283-F285 HydrophobicContact CG-CZ 3.93Å; P283-F285 PolarHBondContact O-N 2.93Å; P283-F285 VanDerWaalsContact O-N 3.12Å
286L88.9Confident91Very high22 Ų2253.7 Ų53.712%0.11529%0.289CS..SBendtrans-82.2133.3176.4-67.4-179.9000110R277 P283 A284 E290 I291R277-L286 PolarHBondContact NH1-O 2.79Å; P283-L286 HydrophobicContact CG-CD1 4.39Å; P283-L286 PolarHBondContact O-N 2.82Å; P283-L286 VanDerWaalsContact O-N 3.13Å; A284-L286 VanDerWaalsContact C-N 3.32Å; A284-L286 PolarHBondContact O-N 3.3Å; L286-E290 HydrophobicContact CD2-CB 4.48Å; L286-I291 HydrophobicContact CB-CD1 4.23Å; L286-I291 HydrophobicContact CB-CG1 3.9Å; L286-I291 HydrophobicContact CD1-CG1 4.36Å
287S95.1Very high91.1Very high55 Ų5557.1 Ų57.139%0.38531%0.307SS..  trans-68.9159170.1680000111.3A289 E290 I291S287-A289 VanDerWaalsContact C-N 3.28Å; S287-A289 PolarHBondContact O-N 3.13Å; S287-E290 WeakPolarHBondContact CB-OE2 3.49Å; S287-E290 PolarHBondContact N-OE2 3.12Å; S287-E290 PolarHBondContact O-N 3.13Å; S287-E290 WeakPolarHBondContact OG-CB 3.42Å; S287-E290 VanDerWaalsContact OG-CD 3.29Å; S287-E290 WeakPolarHBondContact OG-CG 3.46Å; S287-E290 PolarHBondContact OG-N 3.46Å; S287-E290 PolarHBondContact OG-OE2 2.9Å; S287-I291 WeakPolarHBondContact O-CG1 3.4Å; S287-I291 PolarHBondContact O-N 3.36Å; S287-I291 VanDerWaalsContact O-N 3.07Å
288H96.7Very high91.2Very high54 Ų5456.7 Ų56.725%0.2531%0.31CS..Hα-helixtrans-60.3-40.2175.6-65.6-179.9000111.4K270 G273 E274 R277 E290 I291 G292K270-H288 HydrophobicContact CG-CB 3.87Å; G273-H288 WeakPolarHBondContact CA-O 3.4Å; E274-H288 WeakPolarHBondContact CB-ND1 3.32Å; E274-H288 IonicContact OE2-ND1 3.61Å; R277-H288 WeakPolarHBondContact CD-NE2 3.4Å; H288-E290 PolarHBondContact O-N 3.41Å; H288-I291 PolarHBondContact O-N 2.75Å; H288-G292 PolarHBondContact O-N 2.64Å
289A96.9Very high91.5Very high31 Ų3149.5 Ų49.526%0.25627%0.273SS..Hα-helixtrans-61.6-42.5177.700000112.3S287 I291 G292 Q293S287-A289 VanDerWaalsContact C-N 3.28Å; S287-A289 PolarHBondContact O-N 3.13Å; A289-I291 PolarHBondContact O-N 3.29Å; A289-G292 PolarHBondContact O-N 3.03Å; A289-Q293 WeakPolarHBondContact O-CB 3.48Å; A289-Q293 PolarHBondContact O-N 3.32Å
290E95.2Very high92.1Very high93 Ų9346 Ų4644%0.43525%0.254SS..Hα-helixtrans-64.1-39.1175.6-72.2165130.900112.2L286 S287 H288 Q293 Q294L286-E290 HydrophobicContact CD2-CB 4.48Å; S287-E290 WeakPolarHBondContact CB-OE2 3.49Å; S287-E290 PolarHBondContact N-OE2 3.12Å; S287-E290 PolarHBondContact O-N 3.13Å; S287-E290 WeakPolarHBondContact OG-CB 3.42Å; S287-E290 VanDerWaalsContact OG-CD 3.29Å; S287-E290 WeakPolarHBondContact OG-CG 3.46Å; S287-E290 PolarHBondContact OG-N 3.46Å; S287-E290 PolarHBondContact OG-OE2 2.9Å; H288-E290 PolarHBondContact O-N 3.41Å; E290-Q293 PolarHBondContact O-N 3.28Å; E290-Q294 WeakPolarHBondContact O-CB 3.25Å; E290-Q294 VanDerWaalsContact O-CG 3.27Å; E290-Q294 WeakPolarHBondContact O-CG 3.47Å; E290-Q294 PolarHBondContact O-N 2.78Å
291I95.2Very high92.7Very high3 Ų345.1 Ų45.12%0.01525%0.25CC..Hα-helixtrans-63.9-45.1175.4-65.2163.9000110.4R277 L280 A282 L286 S287 H288 A289 Q294 F295R277-I291 HydrophobicContact CB-CD1 4.34Å; R277-I291 HydrophobicContact CG-CD1 4.01Å; L280-I291 HydrophobicContact CD1-CG2 3.93Å; A282-I291 HydrophobicContact CB-CD1 3.4Å; A282-I291 HydrophobicContact CB-CG1 3.82Å; A282-I291 HydrophobicContact CB-CG2 4.44Å; L286-I291 HydrophobicContact CB-CD1 4.23Å; L286-I291 HydrophobicContact CB-CG1 3.9Å; L286-I291 HydrophobicContact CD1-CG1 4.36Å; S287-I291 WeakPolarHBondContact O-CG1 3.4Å; S287-I291 PolarHBondContact O-N 3.36Å; S287-I291 VanDerWaalsContact O-N 3.07Å; H288-I291 PolarHBondContact O-N 2.75Å; A289-I291 PolarHBondContact O-N 3.29Å; I291-Q294 PolarHBondContact O-N 3.24Å; I291-F295 WeakPolarHBondContact O-CB 3.19Å; I291-F295 PolarHBondContact O-N 3.33Å
292G96.8Very high93.2Very high0 Ų037.3 Ų37.30%021%0.214CC..Hα-helixtrans-60.2-45.4176.800000112.1L269 H288 A289 F295 I296L269-G292 WeakPolarHBondContact O-CA 3.4Å; H288-G292 PolarHBondContact O-N 2.64Å; A289-G292 PolarHBondContact O-N 3.03Å; G292-F295 PolarHBondContact O-N 2.97Å; G292-I296 WeakPolarHBondContact O-CG1 3.37Å; G292-I296 PolarHBondContact O-N 3.4Å
293Q96.2Very high93.7Very high62 Ų6238.2 Ų38.229%0.2921%0.214SC..Hα-helixtrans-61-50.1177.2-174.958.95700111.2L269 A289 E290 F295 I296 D297L269-Q293 HydrophobicContact CD2-CB 4.29Å; A289-Q293 WeakPolarHBondContact O-CB 3.48Å; A289-Q293 PolarHBondContact O-N 3.32Å; E290-Q293 PolarHBondContact O-N 3.28Å; Q293-F295 VanDerWaalsContact C-N 3.27Å; Q293-F295 PolarHBondContact O-N 3.09Å; Q293-I296 PolarHBondContact O-N 3.27Å; Q293-D297 VanDerWaalsContact NE2-CG 3.29Å; Q293-D297 PolarHBondContact NE2-OD1 3.02Å; Q293-D297 VanDerWaalsContact NE2-OD1 3.09Å; Q293-D297 PolarHBondContact NE2-OD2 2.9Å; Q293-D297 VanDerWaalsContact O-CG 3.28Å; Q293-D297 PolarHBondContact O-N 2.81Å
294Q93.1Very high94.3Very high68 Ų6837.3 Ų37.332%0.31821%0.206SC..Hα-helixtrans-58.4-40.7177.3-75.9-178.514.100112.3E290 I291 D297 D298E290-Q294 WeakPolarHBondContact O-CB 3.25Å; E290-Q294 VanDerWaalsContact O-CG 3.27Å; E290-Q294 WeakPolarHBondContact O-CG 3.47Å; E290-Q294 PolarHBondContact O-N 2.78Å; I291-Q294 PolarHBondContact O-N 3.24Å; Q294-D297 PolarHBondContact O-N 3.38Å; Q294-D298 WeakPolarHBondContact O-CB 3.47Å; Q294-D298 PolarHBondContact O-N 3.14Å
295F95.3Very high94.6Very high2 Ų240.1 Ų40.11%0.00921%0.209CC..Hα-helixtrans-64-47.7177.9-179-95.2000111.4V206 H208 F213 L215 I272 L276 L280 I291 G292 Q293 D297 D298 V299V206-F295 HydrophobicContact CG2-CE1 4.09Å; V206-F295 HydrophobicContact CG2-CZ 3.69Å; H208-F295 HydrophobicContact CB-CD2 4.47Å; H208-F295 HydrophobicContact CB-CE2 3.76Å; F213-F295 HydrophobicContact CB-CZ 3.97Å; F213-F295 AromaticContact CD2-CE2 3.98Å; F213-F295 HydrophobicContact CD2-CE2 3.98Å; F213-F295 HydrophobicContact CD2-CZ 4.15Å; F213-F295 HydrophobicContact CE2-CE2 4.4Å; F213-F295 HydrophobicContact CG-CE2 4.21Å; F213-F295 HydrophobicContact CG-CZ 4.05Å; L215-F295 HydrophobicContact CD1-CD1 4.45Å; L215-F295 HydrophobicContact CD1-CE1 3.72Å; I272-F295 HydrophobicContact CG2-CD1 3.99Å; L276-F295 HydrophobicContact CD1-CB 3.98Å; L276-F295 HydrophobicContact CD1-CD1 3.53Å; L276-F295 HydrophobicContact CD1-CD2 3.45Å; L276-F295 VanDerWaalsContact CD1-CD2 3.45Å; L276-F295 HydrophobicContact CD1-CE1 3.78Å; L276-F295 HydrophobicContact CD1-CE2 3.66Å; L276-F295 HydrophobicContact CD1-CG 3.34Å; L276-F295 HydrophobicContact CD1-CZ 3.81Å; L280-F295 HydrophobicContact CD1-CD2 4.08Å; I291-F295 WeakPolarHBondContact O-CB 3.19Å; I291-F295 PolarHBondContact O-N 3.33Å; G292-F295 PolarHBondContact O-N 2.97Å; Q293-F295 VanDerWaalsContact C-N 3.27Å; Q293-F295 PolarHBondContact O-N 3.09Å; F295-D297 VanDerWaalsContact C-N 3.3Å; F295-D297 PolarHBondContact O-N 2.86Å; F295-D298 PolarHBondContact O-N 3.35Å; F295-V299 HydrophobicContact CD1-CG2 4.02Å; F295-V299 HydrophobicContact CE1-CG2 3.62Å; F295-V299 HydrophobicContact CE2-CG1 4.4Å; F295-V299 HydrophobicContact CE2-CG2 4.35Å; F295-V299 HydrophobicContact CZ-CG2 3.84Å; F295-V299 VanDerWaalsContact O-CG2 3.26Å; F295-V299 WeakPolarHBondContact O-CG2 3.43Å; F295-V299 PolarHBondContact O-N 3.49Å
296I96.6Very high95.2Very high1 Ų142 Ų421%0.00522%0.217CC..Hα-helixtrans-57.4-45.2176.7-70.6-66.6000110.7V220 A223 L224 L269 I272 G292 Q293 D298 V299 I300V220-I296 HydrophobicContact CG1-CD1 4.26Å; A223-I296 HydrophobicContact CB-CD1 4.2Å; A223-I296 HydrophobicContact CB-CG1 4.24Å; L224-I296 HydrophobicContact CD2-CG2 3.62Å; L269-I296 HydrophobicContact CD2-CG1 4.17Å; I272-I296 HydrophobicContact CD1-CD1 3.89Å; I272-I296 HydrophobicContact CD1-CG1 4.23Å; G292-I296 WeakPolarHBondContact O-CG1 3.37Å; G292-I296 PolarHBondContact O-N 3.4Å; Q293-I296 PolarHBondContact O-N 3.27Å; I296-D298 VanDerWaalsContact C-N 3.33Å; I296-D298 PolarHBondContact O-N 3.1Å; I296-V299 PolarHBondContact O-N 3.33Å; I296-I300 HydrophobicContact CD1-CG1 3.61Å; I296-I300 HydrophobicContact CG2-CB 4.23Å; I296-I300 HydrophobicContact CG2-CG1 4.35Å; I296-I300 WeakPolarHBondContact O-CB 3.32Å; I296-I300 PolarHBondContact O-N 3.19Å
297D94.1Very high95.5Very high73 Ų7342.2 Ų42.239%0.3922%0.224SC..Hα-helixtrans-65.2-36.2-179.9-67.5-28.8000112.7Q293 Q294 F295 K310Q293-D297 VanDerWaalsContact NE2-CG 3.29Å; Q293-D297 PolarHBondContact NE2-OD1 3.02Å; Q293-D297 VanDerWaalsContact NE2-OD1 3.09Å; Q293-D297 PolarHBondContact NE2-OD2 2.9Å; Q293-D297 VanDerWaalsContact O-CG 3.28Å; Q293-D297 PolarHBondContact O-N 2.81Å; Q294-D297 PolarHBondContact O-N 3.38Å; F295-D297 VanDerWaalsContact C-N 3.3Å; F295-D297 PolarHBondContact O-N 2.86Å; D297-K310 IonicContact OD1-NZ 2.69Å
298D91.6Very high95.7Very high54 Ų5445 Ų4529%0.28923%0.231SC..Hα-helixtrans-76.9-21.7-178.2-74.4-22.7000113.9R28 H208 Q294 F295 I296 V302R28-D298 IonicContact CZ-OD1 3.54Å; R28-D298 IonicContact CZ-OD2 2.65Å; R28-D298 VanDerWaalsContact CZ-OD2 3.28Å; R28-D298 IonicContact NE-OD1 2.72Å; R28-D298 IonicContact NH1-OD2 3.32Å; R28-D298 IonicContact NH2-OD1 2.57Å; R28-D298 PolarHBondContact NH2-OD1 3.38Å; R28-D298 IonicContact NH2-OD2 3.74Å; R28-D298 PolarHBondContact NH2-OD2 2.97Å; H208-D298 IonicContact NE2-OD2 3.46Å; Q294-D298 WeakPolarHBondContact O-CB 3.47Å; Q294-D298 PolarHBondContact O-N 3.14Å; F295-D298 PolarHBondContact O-N 3.35Å; I296-D298 VanDerWaalsContact C-N 3.33Å; I296-D298 PolarHBondContact O-N 3.1Å; D298-V302 WeakPolarHBondContact O-CG1 3.42Å
299V95.5Very high95.7Very high0 Ų045.9 Ų45.90%024%0.235CC..Hα-helixtrans-134.6-23.5-169.5-490000116.5I190 V206 H208 F295 I296I190-V299 HydrophobicContact CG2-CB 4.23Å; I190-V299 WeakPolarHBondContact CG2-O 3.48Å; V206-V299 HydrophobicContact CB-CB 4.25Å; V206-V299 HydrophobicContact CB-CG2 4.06Å; V206-V299 HydrophobicContact CG1-CG2 4.29Å; V206-V299 HydrophobicContact CG2-CB 4.29Å; V206-V299 HydrophobicContact CG2-CG2 3.69Å; H208-V299 HydrophobicContact CB-CG1 3.92Å; F295-V299 HydrophobicContact CD1-CG2 4.02Å; F295-V299 HydrophobicContact CE1-CG2 3.62Å; F295-V299 HydrophobicContact CE2-CG1 4.4Å; F295-V299 HydrophobicContact CE2-CG2 4.35Å; F295-V299 HydrophobicContact CZ-CG2 3.84Å; F295-V299 VanDerWaalsContact O-CG2 3.26Å; F295-V299 WeakPolarHBondContact O-CG2 3.43Å; F295-V299 PolarHBondContact O-N 3.49Å; I296-V299 PolarHBondContact O-N 3.33Å
300I97.6Very high95.8Very high1 Ų144.9 Ų44.91%0.00523%0.225CC..SBendtrans-92.4117.2-177-58-58000109.9I204 V206 V220 L224 I296 V302 K310 L314I204-I300 HydrophobicContact CD1-CD1 4.19Å; V206-I300 HydrophobicContact CG1-CD1 3.84Å; V220-I300 HydrophobicContact CG1-CD1 3.96Å; V220-I300 HydrophobicContact CG1-CG1 3.99Å; V220-I300 HydrophobicContact CG1-CG2 3.93Å; L224-I300 HydrophobicContact CD1-CG2 4.15Å; L224-I300 HydrophobicContact CD2-CG2 4.15Å; I296-I300 HydrophobicContact CD1-CG1 3.61Å; I296-I300 HydrophobicContact CG2-CB 4.23Å; I296-I300 HydrophobicContact CG2-CG1 4.35Å; I296-I300 WeakPolarHBondContact O-CB 3.32Å; I296-I300 PolarHBondContact O-N 3.19Å; I300-V302 PolarHBondContact O-N 3.37Å; I300-V302 VanDerWaalsContact O-N 3.07Å; I300-K310 WeakPolarHBondContact O-CD 3.33Å; I300-K310 WeakPolarHBondContact O-CE 3.46Å; I300-K310 PolarHBondContact O-NZ 2.94Å; I300-L314 HydrophobicContact CG2-CD1 4.01Å
301C97.5Very high96Very high3 Ų340.5 Ų40.52%0.0221%0.205CC..SBendtrans4645.3171.7-61.80000112.7H303 L304 K310 F313 L314C301-H303 PolarHBondContact O-N 3.09Å; C301-L304 HydrophobicContact CB-CD1 4.45Å; C301-L304 PolarHBondContact O-N 3.4Å; C301-K310 HydrophobicContact CB-CB 4.11Å; C301-K310 HydrophobicContact CB-CD 4.33Å; C301-K310 HydrophobicContact CB-CG 3.82Å; C301-F313 HydrophobicContact CB-CD1 4.49Å; C301-L314 VanDerWaalsContact SG-CD2 3.51Å
302V95.2Very high96.1Very high7 Ų743.7 Ų43.74%0.04222%0.222CC..THydrogen-bonded Turntrans-58.9-6.9-171.2-58.70000115.3C182 L184 I190 D298 I300C182-V302 HydrophobicContact CB-CG2 3.77Å; L184-V302 HydrophobicContact CD1-CB 4.33Å; L184-V302 HydrophobicContact CD1-CG2 4.41Å; L184-V302 HydrophobicContact CD2-CB 4.33Å; L184-V302 WeakPolarHBondContact CD2-O 3.33Å; L184-V302 HydrophobicContact CG-CB 4.03Å; L184-V302 HydrophobicContact CG-CG2 3.98Å; I190-V302 HydrophobicContact CB-CG2 4.08Å; I190-V302 HydrophobicContact CG1-CG1 3.94Å; I190-V302 HydrophobicContact CG1-CG2 3.79Å; D298-V302 WeakPolarHBondContact O-CG1 3.42Å; I300-V302 PolarHBondContact O-N 3.37Å; I300-V302 VanDerWaalsContact O-N 3.07Å
303H95.7Very high96.2Very high39 Ų3945.2 Ų45.218%0.18123%0.229CC..THydrogen-bonded Turntrans-83.4-1174.664.7-74.3000113N156 C182 C301 F313N156-H303 VanDerWaalsContact OD1-CB 3.31Å; N156-H303 WeakPolarHBondContact OD1-CB 3.47Å; C182-H303 WeakPolarHBondContact CB-ND1 2.94Å; C182-H303 PolarHBondContact SG-CE1 3.31Å; C182-H303 PolarHBondContact SG-ND1 3.18Å; C301-H303 PolarHBondContact O-N 3.09Å; H303-F313 AromaticContact CE1-CD1 3.98Å; H303-F313 AromaticContact CE1-CE1 3.71Å
304L96.8Very high96.3Very high37 Ų3742.3 Ų42.319%0.19422%0.215CC..  trans-125.4142.1179.2-59170.7000108.9C301 E309 K310 F313C301-L304 HydrophobicContact CB-CD1 4.45Å; C301-L304 PolarHBondContact O-N 3.4Å; L304-E309 HydrophobicContact CB-CB 4.27Å; L304-E309 HydrophobicContact CD1-CB 4.26Å; L304-E309 HydrophobicContact CD2-CB 4.41Å; L304-K310 HydrophobicContact CB-CG 3.83Å; L304-K310 HydrophobicContact CD1-CG 4.44Å; L304-K310 WeakPolarHBondContact O-CE 3.46Å; L304-F313 HydrophobicContact CD1-CB 3.73Å; L304-F313 HydrophobicContact CD1-CG 4.13Å
305D92.4Very high96.6Very high149 Ų14939.3 Ų39.380%0.79720%0.201SC*.  trans-90.8-40.5-175.4-64.7-38.2000112
306K96.1Very high96.7Very high128 Ų12844.3 Ų44.356%0.55722%0.223SC*.SBendtrans-91.3141.7-171.9-60-178.6-166.91540112.5E308 E309 K310K306-E308 VanDerWaalsContact C-N 3.28Å; K306-E308 PolarHBondContact O-N 3.02Å; K306-E309 HydrophobicContact CB-CB 4.36Å; K306-E309 HydrophobicContact CB-CG 4.09Å; K306-E309 WeakPolarHBondContact CD-OE1 3.47Å; K306-E309 IonicContact NZ-OE1 3.98Å; K306-E309 PolarHBondContact O-N 3.22Å; K306-K310 WeakPolarHBondContact O-CG 3.28Å; K306-K310 PolarHBondContact O-N 3.31Å
307G96.8Very high96.8Very high26 Ų2644.3 Ų44.327%0.26822%0.223SC..Hα-helixtrans-55.2-40.617500000113.3L224 K310 F311L224-G307 WeakPolarHBondContact O-CA 3.43Å; G307-K310 PolarHBondContact O-N 2.78Å; G307-F311 VanDerWaalsContact O-CB 3.32Å; G307-F311 WeakPolarHBondContact O-CB 3.29Å; G307-F311 PolarHBondContact O-N 2.65Å
308E98Very high97Very high113 Ų11340.8 Ų40.853%0.52820%0.204SC..Hα-helixtrans-62.5-45.2176.5-174-175.5174.600112.7L225 K306 K310 F311 N312L225-E308 HydrophobicContact CD1-CB 4.32Å; K306-E308 VanDerWaalsContact C-N 3.28Å; K306-E308 PolarHBondContact O-N 3.02Å; E308-K310 PolarHBondContact O-N 3.34Å; E308-F311 WeakPolarHBondContact O-CB 3.27Å; E308-F311 PolarHBondContact O-N 3.22Å; E308-N312 WeakPolarHBondContact O-CB 3.46Å; E308-N312 VanDerWaalsContact O-CG 3.24Å; E308-N312 PolarHBondContact O-N 3.36Å; E308-N312 PolarHBondContact O-ND2 2.95Å
309E98.2Very high97.3Very high74 Ų7440.3 Ų40.335%0.34620%0.2SC..Hα-helixtrans-64.3-43.1178.3-66.7168.8-172.500110.7L304 K306 F311 N312 F313L304-E309 HydrophobicContact CB-CB 4.27Å; L304-E309 HydrophobicContact CD1-CB 4.26Å; L304-E309 HydrophobicContact CD2-CB 4.41Å; K306-E309 HydrophobicContact CB-CB 4.36Å; K306-E309 HydrophobicContact CB-CG 4.09Å; K306-E309 WeakPolarHBondContact CD-OE1 3.47Å; K306-E309 IonicContact NZ-OE1 3.98Å; K306-E309 PolarHBondContact O-N 3.22Å; E309-F311 VanDerWaalsContact C-N 3.34Å; E309-F311 PolarHBondContact O-N 3.03Å; E309-N312 PolarHBondContact O-N 2.94Å; E309-F313 WeakPolarHBondContact O-CB 3.29Å; E309-F313 PolarHBondContact O-N 2.91Å
310K98.4Very high97.4Very high10 Ų1041.5 Ų41.54%0.04321%0.205CC..Hα-helixtrans-60.7-43.3174.1-66.5-178.6-177.7-172.90111.5L224 D297 I300 C301 L304 K306 G307 E308 L314L224-K310 HydrophobicContact CD1-CB 3.98Å; L224-K310 HydrophobicContact CD2-CB 3.82Å; L224-K310 HydrophobicContact CD2-CD 3.8Å; L224-K310 HydrophobicContact CD2-CG 4.47Å; L224-K310 HydrophobicContact CG-CB 4.49Å; D297-K310 IonicContact OD1-NZ 2.69Å; I300-K310 WeakPolarHBondContact O-CD 3.33Å; I300-K310 WeakPolarHBondContact O-CE 3.46Å; I300-K310 PolarHBondContact O-NZ 2.94Å; C301-K310 HydrophobicContact CB-CB 4.11Å; C301-K310 HydrophobicContact CB-CD 4.33Å; C301-K310 HydrophobicContact CB-CG 3.82Å; L304-K310 HydrophobicContact CB-CG 3.83Å; L304-K310 HydrophobicContact CD1-CG 4.44Å; L304-K310 WeakPolarHBondContact O-CE 3.46Å; K306-K310 WeakPolarHBondContact O-CG 3.28Å; K306-K310 PolarHBondContact O-N 3.31Å; G307-K310 PolarHBondContact O-N 2.78Å; E308-K310 PolarHBondContact O-N 3.34Å; K310-L314 WeakPolarHBondContact O-CG 3.04Å; K310-L314 PolarHBondContact O-N 3.22Å
311F98.5Very high97.4Very high0 Ų041.4 Ų41.40%021%0.205CC..Hα-helixtrans-60.7-54.1177.7175.6-87.1000110.7L221 L224 L225 F231 I232 E235 G307 E308 E309 F313 L314 V315L221-F311 HydrophobicContact CB-CD2 4.17Å; L221-F311 HydrophobicContact CB-CE2 3.98Å; L221-F311 HydrophobicContact CD2-CD2 3.85Å; L221-F311 HydrophobicContact CD2-CE2 4.06Å; L221-F311 HydrophobicContact CG-CE2 4.43Å; L224-F311 HydrophobicContact CB-CB 4.36Å; L225-F311 HydrophobicContact CB-CD2 4.39Å; L225-F311 HydrophobicContact CD2-CD1 4.5Å; L225-F311 HydrophobicContact CD2-CG 4.42Å; F231-F311 HydrophobicContact CD1-CZ 4.29Å; F231-F311 AromaticContact CE1-CE1 3.83Å; F231-F311 HydrophobicContact CE1-CE1 3.83Å; F231-F311 HydrophobicContact CE1-CZ 4.01Å; I232-F311 HydrophobicContact CG1-CE2 4.02Å; I232-F311 HydrophobicContact CG1-CZ 4.2Å; E235-F311 HydrophobicContact CB-CE1 4.2Å; E235-F311 HydrophobicContact CB-CZ 4.37Å; E235-F311 HydrophobicContact CG-CE1 4.14Å; G307-F311 VanDerWaalsContact O-CB 3.32Å; G307-F311 WeakPolarHBondContact O-CB 3.29Å; G307-F311 PolarHBondContact O-N 2.65Å; E308-F311 WeakPolarHBondContact O-CB 3.27Å; E308-F311 PolarHBondContact O-N 3.22Å; E309-F311 VanDerWaalsContact C-N 3.34Å; E309-F311 PolarHBondContact O-N 3.03Å; F311-F313 VanDerWaalsContact C-N 3.3Å; F311-F313 PolarHBondContact O-N 2.76Å; F311-L314 PolarHBondContact O-N 2.83Å; F311-L314 VanDerWaalsContact O-N 3.09Å; F311-V315 HydrophobicContact CD1-CG2 4.07Å; F311-V315 HydrophobicContact CE1-CG2 3.64Å; F311-V315 HydrophobicContact CE2-CG2 4.48Å; F311-V315 HydrophobicContact CZ-CG2 3.87Å; F311-V315 WeakPolarHBondContact O-CG2 3.49Å; F311-V315 PolarHBondContact O-N 2.92Å
312N98.2Very high97.3Very high70 Ų7041.7 Ų41.737%0.37421%0.207SC..Hα-helixtrans-59.1-41.6-179.8-68.3-17.8000111.8E308 E309 L314 V315 F316E308-N312 WeakPolarHBondContact O-CB 3.46Å; E308-N312 VanDerWaalsContact O-CG 3.24Å; E308-N312 PolarHBondContact O-N 3.36Å; E308-N312 PolarHBondContact O-ND2 2.95Å; E309-N312 PolarHBondContact O-N 2.94Å; N312-L314 PolarHBondContact O-N 3.43Å; N312-V315 PolarHBondContact O-N 3.44Å; N312-F316 PolarHBondContact O-N 2.92Å
313F98.5Very high97.4Very high33 Ų3342 Ų4215%0.14521%0.211CC..Hα-helixtrans-63.7-41.2176.6-179.6-103.1000112.4P158 L180 C301 H303 L304 E309 F311 F316 C317P158-F313 HydrophobicContact CB-CZ 4.46Å; P158-F313 HydrophobicContact CG-CE2 4.34Å; P158-F313 HydrophobicContact CG-CZ 4.39Å; L180-F313 HydrophobicContact CD1-CE1 4.23Å; L180-F313 HydrophobicContact CD2-CE1 3.77Å; L180-F313 HydrophobicContact CD2-CZ 3.76Å; C301-F313 HydrophobicContact CB-CD1 4.49Å; H303-F313 AromaticContact CE1-CD1 3.98Å; H303-F313 AromaticContact CE1-CE1 3.71Å; L304-F313 HydrophobicContact CD1-CB 3.73Å; L304-F313 HydrophobicContact CD1-CG 4.13Å; E309-F313 WeakPolarHBondContact O-CB 3.29Å; E309-F313 PolarHBondContact O-N 2.91Å; F311-F313 VanDerWaalsContact C-N 3.3Å; F311-F313 PolarHBondContact O-N 2.76Å; F313-F316 PolarHBondContact O-N 2.81Å; F313-C317 PolarHBondContact O-N 2.9Å; F313-C317 PolarHBondContact O-SG 3.4Å
314L98.6Very high97.5Very high0 Ų040.5 Ų40.50%020%0.204CC..Hα-helixtrans-68.8-38.6176.1-73.2-174.8000112.1L180 I194 I204 F217 V220 L221 L224 I300 C301 K310 F311 N312 F316 C317 A318L180-L314 HydrophobicContact CD1-CD2 4.41Å; I194-L314 HydrophobicContact CD1-CD2 4.07Å; I204-L314 HydrophobicContact CD1-CD2 4.35Å; F217-L314 HydrophobicContact CE2-CB 4.17Å; F217-L314 HydrophobicContact CE2-CD1 4.49Å; F217-L314 HydrophobicContact CE2-CD2 4.25Å; F217-L314 HydrophobicContact CZ-CB 3.92Å; F217-L314 WeakPolarHBondContact CZ-O 3.15Å; V220-L314 HydrophobicContact CG1-CD1 3.86Å; L221-L314 HydrophobicContact CD2-CB 3.68Å; L221-L314 HydrophobicContact CD2-CD1 4.2Å; L224-L314 HydrophobicContact CD1-CD1 3.63Å; I300-L314 HydrophobicContact CG2-CD1 4.01Å; C301-L314 VanDerWaalsContact SG-CD2 3.51Å; K310-L314 WeakPolarHBondContact O-CG 3.04Å; K310-L314 PolarHBondContact O-N 3.22Å; F311-L314 PolarHBondContact O-N 2.83Å; F311-L314 VanDerWaalsContact O-N 3.09Å; N312-L314 PolarHBondContact O-N 3.43Å; L314-F316 VanDerWaalsContact C-N 3.32Å; L314-F316 PolarHBondContact O-N 3.26Å; L314-C317 WeakPolarHBondContact O-CB 3.33Å; L314-C317 PolarHBondContact O-N 3.01Å; L314-C317 VanDerWaalsContact O-N 3.11Å; L314-A318 PolarHBondContact O-N 3.27Å
315V98.5Very high97.4Very high6 Ų640.8 Ų40.84%0.03621%0.207CC..Hα-helixtrans-55.6-48.8172168.10000110.4L221 E235 L236 F311 N312 C317 A318 Q319L221-V315 HydrophobicContact CD2-CG2 4.41Å; E235-V315 HydrophobicContact CB-CG1 4.44Å; E235-V315 HydrophobicContact CB-CG2 4.41Å; E235-V315 WeakPolarHBondContact O-CG1 3.43Å; L236-V315 HydrophobicContact CD2-CB 4.43Å; L236-V315 HydrophobicContact CD2-CG1 4.33Å; L236-V315 HydrophobicContact CD2-CG2 4.13Å; F311-V315 HydrophobicContact CD1-CG2 4.07Å; F311-V315 HydrophobicContact CE1-CG2 3.64Å; F311-V315 HydrophobicContact CE2-CG2 4.48Å; F311-V315 HydrophobicContact CZ-CG2 3.87Å; F311-V315 WeakPolarHBondContact O-CG2 3.49Å; F311-V315 PolarHBondContact O-N 2.92Å; N312-V315 PolarHBondContact O-N 3.44Å; V315-C317 VanDerWaalsContact C-N 3.31Å; V315-C317 PolarHBondContact O-N 3.39Å; V315-A318 WeakPolarHBondContact O-CB 3.17Å; V315-A318 PolarHBondContact O-N 3Å; V315-A318 VanDerWaalsContact O-N 3.13Å; V315-Q319 WeakPolarHBondContact O-CG 3.43Å; V315-Q319 PolarHBondContact O-N 3.11Å
316F98.2Very high97.5Very high107 Ų10739 Ų3947%0.46919%0.189SC..Hα-helixtrans-58.2-41.9174.6176.6-102.7000112.5P158 N312 F313 L314 A318 Q319 K320P158-F316 HydrophobicContact CG-CD1 3.95Å; P158-F316 HydrophobicContact CG-CE1 3.6Å; N312-F316 PolarHBondContact O-N 2.92Å; F313-F316 PolarHBondContact O-N 2.81Å; L314-F316 VanDerWaalsContact C-N 3.32Å; L314-F316 PolarHBondContact O-N 3.26Å; F316-A318 PolarHBondContact O-N 3.4Å; F316-Q319 PolarHBondContact O-N 2.94Å; F316-K320 WeakPolarHBondContact O-CB 3.34Å; F316-K320 PolarHBondContact O-N 3.03Å
317C98.4Very high97.5Very high0 Ų035.5 Ų35.50%019%0.189CC..Hα-helixtrans-61.3-42.9175.7-65.70000112.1I178 I194 F313 L314 V315 K320 L321I178-C317 WeakPolarHBondContact CG1-O 2.85Å; I178-C317 HydrophobicContact CG2-CB 4.37Å; I194-C317 HydrophobicContact CD1-CB 3.48Å; I194-C317 VanDerWaalsContact CD1-CB 3.48Å; F313-C317 PolarHBondContact O-N 2.9Å; F313-C317 PolarHBondContact O-SG 3.4Å; L314-C317 WeakPolarHBondContact O-CB 3.33Å; L314-C317 PolarHBondContact O-N 3.01Å; L314-C317 VanDerWaalsContact O-N 3.11Å; V315-C317 VanDerWaalsContact C-N 3.31Å; V315-C317 PolarHBondContact O-N 3.39Å; C317-K320 PolarHBondContact O-N 3.44Å; C317-L321 WeakPolarHBondContact O-CB 3.43Å; C317-L321 PolarHBondContact O-N 3.45Å
318A98.2Very high97.4Very high0 Ų039.1 Ų39.10%020%0.203CC..Hα-helixtrans-64.7-44.6178.600000111.7M202 F217 L236 W246 L314 V315 F316 L321 C322M202-A318 HydrophobicContact CE-CB 4.41Å; M202-A318 HydrophobicContact SD-CB 3.98Å; F217-A318 HydrophobicContact CE1-CB 3.62Å; F217-A318 HydrophobicContact CZ-CB 3.76Å; L236-A318 HydrophobicContact CD2-CB 3.73Å; W246-A318 HydrophobicContact CH2-CB 4.05Å; W246-A318 HydrophobicContact CZ2-CB 4.11Å; L314-A318 PolarHBondContact O-N 3.27Å; V315-A318 WeakPolarHBondContact O-CB 3.17Å; V315-A318 PolarHBondContact O-N 3Å; V315-A318 VanDerWaalsContact O-N 3.13Å; F316-A318 PolarHBondContact O-N 3.4Å; A318-L321 WeakPolarHBondContact O-CB 3.25Å; A318-L321 PolarHBondContact O-N 3.49Å; A318-C322 PolarHBondContact O-N 3.45Å; A318-C322 PolarHBondContact O-SG 3.23Å; A318-C322 VanDerWaalsContact O-SG 3.34Å
319Q97.4Very high97.3Very high43 Ų4336 Ų3620%0.20119%0.191CC..Hα-helixtrans-60.5-45.8175.1-70170.1-16.200111.5E235 V315 F316 L321 C322 A323E235-Q319 PolarHBondContact O-NE2 3.2Å; V315-Q319 WeakPolarHBondContact O-CG 3.43Å; V315-Q319 PolarHBondContact O-N 3.11Å; F316-Q319 PolarHBondContact O-N 2.94Å; Q319-L321 VanDerWaalsContact C-N 3.31Å; Q319-L321 PolarHBondContact O-N 3.38Å; Q319-C322 PolarHBondContact O-N 3.1Å; Q319-A323 PolarHBondContact O-N 3.27Å
320K97.7Very high97.2Very high25 Ų2539.4 Ų39.411%0.10921%0.211CC..Hα-helixtrans-61.1-38.9175.4-172.2175.5-179.9-176.40111.8Y157 P158 I178 F316 C317 A323 L324 E332Y157-K320 PolarHBondContact OH-NZ 3.17Å; P158-K320 HydrophobicContact CG-CD 4.44Å; P158-K320 PolarHBondContact O-NZ 3.5Å; I178-K320 HydrophobicContact CD1-CB 4.16Å; I178-K320 HydrophobicContact CD1-CD 4.23Å; I178-K320 HydrophobicContact CD1-CG 4.02Å; F316-K320 WeakPolarHBondContact O-CB 3.34Å; F316-K320 PolarHBondContact O-N 3.03Å; C317-K320 PolarHBondContact O-N 3.44Å; K320-A323 PolarHBondContact O-N 2.69Å; K320-L324 PolarHBondContact O-N 3.11Å; K320-E332 IonicContact NZ-OE1 3.33Å; K320-E332 IonicContact NZ-OE2 3.77Å; K320-E332 PolarHBondContact NZ-OE2 2.64Å
321L97.8Very high97.1Very high0 Ų042.1 Ų42.10%023%0.229CC..Hα-helixtrans-63.5-42176.4-176.746.1000111.7G177 I178 I194 M202 C317 A318 Q319 L324 V325G177-L321 VanDerWaalsContact CA-CD1 3.4Å; I178-L321 HydrophobicContact CD1-CB 4.2Å; I178-L321 HydrophobicContact CG1-CB 3.76Å; I178-L321 HydrophobicContact CG1-CD1 4.4Å; I178-L321 HydrophobicContact CG1-CD2 4.44Å; I178-L321 HydrophobicContact CG1-CG 4.42Å; I194-L321 HydrophobicContact CB-CD2 4.36Å; I194-L321 HydrophobicContact CG2-CD2 3.76Å; M202-L321 HydrophobicContact CE-CB 3.99Å; M202-L321 HydrophobicContact CE-CD2 3.79Å; M202-L321 HydrophobicContact CE-CG 3.88Å; M202-L321 HydrophobicContact CG-CD2 4.45Å; M202-L321 HydrophobicContact SD-CD2 4.07Å; C317-L321 WeakPolarHBondContact O-CB 3.43Å; C317-L321 PolarHBondContact O-N 3.45Å; A318-L321 WeakPolarHBondContact O-CB 3.25Å; A318-L321 PolarHBondContact O-N 3.49Å; Q319-L321 VanDerWaalsContact C-N 3.31Å; Q319-L321 PolarHBondContact O-N 3.38Å; L321-L324 HydrophobicContact CD1-CD2 4.19Å; L321-L324 WeakPolarHBondContact O-CB 3.27Å; L321-L324 PolarHBondContact O-N 3.37Å; L321-V325 HydrophobicContact CD1-CG2 4.39Å; L321-V325 WeakPolarHBondContact O-CG2 3.5Å; L321-V325 PolarHBondContact O-N 3.05Å
322C96.3Very high97.1Very high8 Ų844.4 Ų44.45%0.05424%0.24CC..Hα-helixtrans-66.1-43177.2-69.50000112.1M202 W246 A318 Q319 L324 V325 R326M202-C322 WeakPolarHBondContact CE-SG 3.13Å; W246-C322 HydrophobicContact CD2-CB 4.14Å; W246-C322 HydrophobicContact CE3-CB 4.32Å; W246-C322 HydrophobicContact CG-CB 4.37Å; W246-C322 VanDerWaalsContact CH2-SG 3.55Å; W246-C322 WeakPolarHBondContact CZ3-SG 3.27Å; A318-C322 PolarHBondContact O-N 3.45Å; A318-C322 PolarHBondContact O-SG 3.23Å; A318-C322 VanDerWaalsContact O-SG 3.34Å; Q319-C322 PolarHBondContact O-N 3.1Å; C322-L324 VanDerWaalsContact C-N 3.27Å; C322-L324 PolarHBondContact O-N 3.34Å; C322-V325 PolarHBondContact O-N 3.13Å; C322-V325 VanDerWaalsContact O-N 3.1Å; C322-R326 WeakPolarHBondContact O-CG 3.38Å; C322-R326 PolarHBondContact O-N 3.01Å
323A96.5Very high96.9Very high15 Ų1545.5 Ų45.512%0.12425%0.246CC..Hα-helixtrans-58.2-39.6173.300000112Q319 K320 R326 G327 D328 V329Q319-A323 PolarHBondContact O-N 3.27Å; K320-A323 PolarHBondContact O-N 2.69Å; A323-R326 PolarHBondContact O-N 3.3Å; A323-G327 PolarHBondContact O-N 3.23Å; A323-G327 VanDerWaalsContact O-N 3.12Å; A323-D328 HydrophobicContact CB-CB 4.22Å; A323-D328 PolarHBondContact O-N 3.42Å; A323-V329 HydrophobicContact CB-CB 4.37Å; A323-V329 HydrophobicContact CB-CG2 3.74Å; A323-V329 PolarHBondContact O-N 3.13Å
324L97.4Very high96.7Very high6 Ų646 Ų463%0.03125%0.25CC..Hα-helixtrans-61.6-46.3172.4173.369000112A160 Y176 K320 L321 C322 R326 G327 V329 P331A160-L324 HydrophobicContact CB-CB 4.45Å; A160-L324 HydrophobicContact CB-CD1 4.39Å; A160-L324 HydrophobicContact CB-CD2 4.02Å; Y176-L324 HydrophobicContact CD1-CD2 4.02Å; Y176-L324 HydrophobicContact CD1-CG 3.98Å; K320-L324 PolarHBondContact O-N 3.11Å; L321-L324 HydrophobicContact CD1-CD2 4.19Å; L321-L324 WeakPolarHBondContact O-CB 3.27Å; L321-L324 PolarHBondContact O-N 3.37Å; C322-L324 VanDerWaalsContact C-N 3.27Å; C322-L324 PolarHBondContact O-N 3.34Å; L324-R326 VanDerWaalsContact C-N 3.3Å; L324-R326 PolarHBondContact O-N 3.48Å; L324-G327 PolarHBondContact O-N 2.92Å; L324-G327 VanDerWaalsContact O-N 3.12Å; L324-V329 WeakPolarHBondContact CD1-O 3.48Å; L324-P331 HydrophobicContact CD1-CB 4Å
325V96Very high96.5Very high44 Ų4452 Ų5227%0.26728%0.282SS..Hα-helixtrans-65.1-34.9-179.1172.10000111.7Y176 Y196 L321 C322 G327Y176-V325 HydrophobicContact CD2-CG2 4.04Å; Y176-V325 HydrophobicContact CG-CG2 4.01Å; Y196-V325 HydrophobicContact CD1-CG1 4.16Å; Y196-V325 HydrophobicContact CD1-CG2 3.77Å; Y196-V325 HydrophobicContact CD2-CG2 4.12Å; Y196-V325 HydrophobicContact CE1-CG1 3.84Å; Y196-V325 HydrophobicContact CE1-CG2 4.26Å; Y196-V325 HydrophobicContact CG-CG2 3.7Å; L321-V325 HydrophobicContact CD1-CG2 4.39Å; L321-V325 WeakPolarHBondContact O-CG2 3.5Å; L321-V325 PolarHBondContact O-N 3.05Å; C322-V325 PolarHBondContact O-N 3.13Å; C322-V325 VanDerWaalsContact O-N 3.1Å; V325-G327 VanDerWaalsContact C-N 3.29Å
326R93.9Very high96.3Very high111 Ų11155.5 Ų55.542%0.41930%0.3SS..Hα-helixtrans-72.5-21.3173.9-68.3-167.9-56.3-154.410.7113.7D243 C322 A323 L324 D328D243-R326 VanDerWaalsContact OD2-CD 3.27Å; D243-R326 WeakPolarHBondContact OD2-CD 3.16Å; D243-R326 IonicContact OD2-CZ 3.12Å; D243-R326 IonicContact OD2-NE 2.75Å; D243-R326 IonicContact OD2-NH1 2.71Å; D243-R326 PolarHBondContact OD2-NH1 3.48Å; C322-R326 WeakPolarHBondContact O-CG 3.38Å; C322-R326 PolarHBondContact O-N 3.01Å; A323-R326 PolarHBondContact O-N 3.3Å; L324-R326 VanDerWaalsContact C-N 3.3Å; L324-R326 PolarHBondContact O-N 3.48Å; R326-D328 IonicContact CZ-OD2 2.64Å; R326-D328 IonicContact NE-OD2 3.38Å; R326-D328 PolarHBondContact NE-OD2 3.06Å; R326-D328 IonicContact NH2-OD2 3.53Å; R326-D328 PolarHBondContact NH2-OD2 3.21Å
327G95.4Very high96.2Very high54 Ų5455.1 Ų55.156%0.55731%0.309SS*.THydrogen-bonded Turntrans88.89.2-17400000114.6A323 L324 V325 V329A323-G327 PolarHBondContact O-N 3.23Å; A323-G327 VanDerWaalsContact O-N 3.12Å; L324-G327 PolarHBondContact O-N 2.92Å; L324-G327 VanDerWaalsContact O-N 3.12Å; V325-G327 VanDerWaalsContact C-N 3.29Å; G327-V329 VanDerWaalsContact C-N 3.25Å; G327-V329 PolarHBondContact O-N 3.4Å
328D95.4Very high96.1Very high103 Ų10358 Ų5855%0.55133%0.333SS*.SBendtrans-70.8-26.6174.8-55.2-31.4000111.7A323 R326A323-D328 HydrophobicContact CB-CB 4.22Å; A323-D328 PolarHBondContact O-N 3.42Å; R326-D328 IonicContact CZ-OD2 2.64Å; R326-D328 IonicContact NE-OD2 3.38Å; R326-D328 PolarHBondContact NE-OD2 3.06Å; R326-D328 IonicContact NH2-OD2 3.53Å; R326-D328 PolarHBondContact NH2-OD2 3.21Å
329V95.5Very high96Very high47 Ų4758.3 Ų58.329%0.28534%0.335SS..SBendtrans-119.1132177.9173.60000109A160 A323 L324 G327A160-V329 HydrophobicContact CB-CG1 4.43Å; A323-V329 HydrophobicContact CB-CB 4.37Å; A323-V329 HydrophobicContact CB-CG2 3.74Å; A323-V329 PolarHBondContact O-N 3.13Å; L324-V329 WeakPolarHBondContact CD1-O 3.48Å; G327-V329 VanDerWaalsContact C-N 3.25Å; G327-V329 PolarHBondContact O-N 3.4Å
330L96.3Very high96Very high145 Ų14558.6 Ų58.676%0.75934%0.336SS*.PPolyproline II helixtrans-73.7142.8174-65.8174.5000110.7E332L330-E332 PolarHBondContact O-N 3.02Å
331P97.5Very high95.9Very high67 Ų6759 Ų5944%0.43534%0.338SS..PPolyproline II helixtrans-62.5134.917126.9-33.3000110.3N162 L324N162-P331 HydrophobicContact CB-CB 3.75Å; N162-P331 HydrophobicContact CB-CG 4.14Å; L324-P331 HydrophobicContact CD1-CB 4Å
332E97.6Very high95.8Very high48 Ų4863.8 Ų63.822%0.22436%0.363CS..PPolyproline II helixtrans-85.8146.1176.9-61.6173.697.300110.3Y157 I159 A160 K320 L330Y157-E332 WeakPolarHBondContact CE1-OE1 3.3Å; I159-E332 WeakPolarHBondContact CA-OE2 3.35Å; I159-E332 HydrophobicContact CG2-CB 3.7Å; A160-E332 PolarHBondContact N-OE2 3.27Å; A160-E332 WeakPolarHBondContact O-CA 3.47Å; A160-E332 WeakPolarHBondContact O-CB 3.32Å; A160-E332 PolarHBondContact O-N 3.27Å; K320-E332 IonicContact NZ-OE1 3.33Å; K320-E332 IonicContact NZ-OE2 3.77Å; K320-E332 PolarHBondContact NZ-OE2 2.64Å; L330-E332 PolarHBondContact O-N 3.02Å
333N94.2Very high95.7Very high93 Ų9364.4 Ų64.450%0.49737%0.366SS..PPolyproline II helixtrans-99.3122.6179.1-173.7-4.3000110.5D335 N336 C339N333-D335 PolarHBondContact O-N 3.17Å; N333-D335 WeakPolarHBondContact OD1-CB 3.32Å; N333-D335 PolarHBondContact OD1-N 3.26Å; N333-N336 HydrophobicContact CB-CB 4.38Å; N333-N336 WeakPolarHBondContact O-CB 3.33Å; N333-N336 PolarHBondContact O-N 3.13Å; N333-C339 WeakPolarHBondContact O-CB 3.37Å; N333-C339 PolarHBondContact O-SG 2.82Å
334L93.9Very high95.6Very high43 Ų4366.1 Ų66.123%0.22537%0.373CS..THydrogen-bonded Turntrans-61.5-21.1175.2-69.4178.3000113.6T153 I159 I161 Y179 N336 Q340T153-L334 HydrophobicContact CG2-CD2 3.66Å; I159-L334 HydrophobicContact CD1-CD2 3.74Å; I159-L334 HydrophobicContact CG2-CD2 4.1Å; I161-L334 HydrophobicContact CD1-CD1 3.68Å; I161-L334 HydrophobicContact CD1-CD2 3.82Å; I161-L334 HydrophobicContact CD1-CG 3.7Å; Y179-L334 HydrophobicContact CD1-CD2 4.46Å; L334-N336 VanDerWaalsContact C-N 3.31Å; L334-Q340 WeakPolarHBondContact O-CG 3.43Å; L334-Q340 PolarHBondContact O-NE2 2.85Å
335D94Very high95.5Very high126 Ų12665.9 Ų65.967%0.67437%0.371SS*.THydrogen-bonded Turntrans-82.9-9.1175.8-59.8-35.9000112.7N333 Q340N333-D335 PolarHBondContact O-N 3.17Å; N333-D335 WeakPolarHBondContact OD1-CB 3.32Å; N333-D335 PolarHBondContact OD1-N 3.26Å; D335-Q340 VanDerWaalsContact C-NE2 3.32Å; D335-Q340 VanDerWaalsContact CA-NE2 3.33Å; D335-Q340 PolarHBondContact O-NE2 2.81Å
336N95.5Very high95.4Very high80 Ų8063.8 Ų63.843%0.42836%0.358SS..SBendtrans-73.1129.6174-171.5-36.4000109.7N333 L334 A338 C339N333-N336 HydrophobicContact CB-CB 4.38Å; N333-N336 WeakPolarHBondContact O-CB 3.33Å; N333-N336 PolarHBondContact O-N 3.13Å; L334-N336 VanDerWaalsContact C-N 3.31Å; N336-A338 PolarHBondContact O-N 3.04Å; N336-A338 WeakPolarHBondContact OD1-CB 3.31Å; N336-A338 PolarHBondContact OD1-N 3.3Å; N336-C339 WeakPolarHBondContact O-CA 3.29Å; N336-C339 WeakPolarHBondContact O-CB 3.42Å; N336-C339 PolarHBondContact O-N 3.17Å
337P96.5Very high95.3Very high100 Ų10059.1 Ų59.165%0.64934%0.343SS*.G310 helixtrans-52.6-28.3175.7-29.136.2000114.7C339 Q340P337-C339 PolarHBondContact O-N 3.03Å; P337-Q340 PolarHBondContact O-N 2.92Å; P337-Q340 VanDerWaalsContact O-N 3.09Å
338A95.4Very high95.1Very high61 Ų6158.7 Ų58.750%0.50433%0.326SS..G310 helixtrans-64.9-22.9175.400000113.8R154 N336R154-A338 WeakPolarHBondContact CD-O 3.33Å; R154-A338 PolarHBondContact NH1-O 2.78Å; N336-A338 PolarHBondContact O-N 3.04Å; N336-A338 WeakPolarHBondContact OD1-CB 3.31Å; N336-A338 PolarHBondContact OD1-N 3.3Å
339C96.6Very high95Very high6 Ų655.9 Ų55.94%0.04131%0.311CS..G310 helixtrans-98.37.7176.3-630000112.3R154 I159 N333 N336 P337R154-C339 WeakPolarHBondContact CB-O 3.4Å; R154-C339 PolarHBondContact N-O 3.41Å; I159-C339 HydrophobicContact CD1-CB 4.11Å; N333-C339 WeakPolarHBondContact O-CB 3.37Å; N333-C339 PolarHBondContact O-SG 2.82Å; N336-C339 WeakPolarHBondContact O-CA 3.29Å; N336-C339 WeakPolarHBondContact O-CB 3.42Å; N336-C339 PolarHBondContact O-N 3.17Å; P337-C339 PolarHBondContact O-N 3.03Å
340Q97.2Very high94.8Very high48 Ų4853.9 Ų53.922%0.22430%0.299CS..EExtended strand (participates in β ladder)trans-119.1160.8-175.5-67.4173.6-0.300111.8I151 A152 L334 D335 P337I151-Q340 HydrophobicContact CG2-CB 3.88Å; I151-Q340 VanDerWaalsContact CG2-CD 3.45Å; I151-Q340 HydrophobicContact CG2-CG 3.74Å; A152-Q340 CarbonylContact O-C 3.24Å; A152-Q340 VanDerWaalsContact O-CA 3.27Å; A152-Q340 WeakPolarHBondContact O-CA 3.35Å; L334-Q340 WeakPolarHBondContact O-CG 3.43Å; L334-Q340 PolarHBondContact O-NE2 2.85Å; D335-Q340 VanDerWaalsContact C-NE2 3.32Å; D335-Q340 VanDerWaalsContact CA-NE2 3.33Å; D335-Q340 PolarHBondContact O-NE2 2.81Å; P337-Q340 PolarHBondContact O-N 2.92Å; P337-Q340 VanDerWaalsContact O-N 3.09Å
341E95.6Very high94.4Very high33 Ų3349.2 Ų49.215%0.15427%0.274CS..EExtended strand (participates in β ladder)trans-139.1165.6167.267.7177.4-146.500109.6A152 R155 R181A152-E341 HydrophobicContact CB-CG 4.11Å; A152-E341 PolarHBondContact N-O 2.98Å; A152-E341 PolarHBondContact O-N 3.3Å; R155-E341 WeakPolarHBondContact CB-OE2 3.39Å; R155-E341 VanDerWaalsContact CG-OE2 3.24Å; R155-E341 WeakPolarHBondContact CG-OE2 3.23Å; R155-E341 IonicContact CZ-OE1 2.75Å; R155-E341 IonicContact CZ-OE2 2.91Å; R155-E341 PolarHBondContact N-OE2 2.82Å; R155-E341 VanDerWaalsContact N-OE2 3.07Å; R155-E341 VanDerWaalsContact NE-CD 3.35Å; R155-E341 IonicContact NE-OE1 3.83Å; R155-E341 PolarHBondContact NE-OE1 2.91Å; R155-E341 VanDerWaalsContact NE-OE1 3.11Å; R155-E341 IonicContact NE-OE2 2.99Å; R155-E341 PolarHBondContact NE-OE2 2.84Å; R155-E341 IonicContact NH2-OE1 3.94Å; R155-E341 PolarHBondContact NH2-OE1 2.91Å; R155-E341 IonicContact NH2-OE2 3.85Å; R181-E341 IonicContact CZ-OE1 3.02Å; R181-E341 VanDerWaalsContact NH1-CD 3.28Å; R181-E341 IonicContact NH1-OE1 3.9Å; R181-E341 PolarHBondContact NH1-OE1 3.05Å; R181-E341 IonicContact NH1-OE2 3.05Å; R181-E341 IonicContact NH2-OE1 2.77Å
342I94.9Very high93.9Very high102 Ų10251.5 Ų51.552%0.52328%0.282SS..EExtended strand (participates in β ladder)trans-98.2121176.5-56.4177.6000109L149 L150 L344L149-I342 HydrophobicContact CB-CG2 3.81Å; L149-I342 HydrophobicContact CD1-CG2 4.19Å; L149-I342 HydrophobicContact CG-CG2 4.4Å; L150-I342 CarbonylContact O-C 3.55Å; I342-L344 HydrophobicContact CG2-CD2 3.9Å; I342-L344 PolarHBondContact O-N 2.69Å
343L93.5Very high93.5Very high21 Ų2149.7 Ų49.711%0.1127%0.273CS..EExtended strand (participates in β ladder)trans-81.3110.9170.2-169.267.7000109.2L150 A152 T347 M348 M351L150-L343 HydrophobicContact CB-CB 4.23Å; L150-L343 PolarHBondContact N-O 3.33Å; L150-L343 WeakPolarHBondContact O-CB 3.49Å; L150-L343 PolarHBondContact O-N 2.85Å; A152-L343 HydrophobicContact CB-CB 4.34Å; L343-T347 HydrophobicContact CD1-CG2 3.48Å; L343-T347 VanDerWaalsContact CD1-CG2 3.48Å; L343-M348 HydrophobicContact CD1-CG 4.44Å; L343-M348 HydrophobicContact CD2-CG 3.49Å; L343-M348 VanDerWaalsContact CD2-CG 3.49Å; L343-M348 HydrophobicContact CD2-SD 4.15Å; L343-M348 HydrophobicContact CG-CG 3.55Å; L343-M348 HydrophobicContact CG-SD 4.32Å; L343-M351 HydrophobicContact CD1-CE 3.62Å; L343-M351 HydrophobicContact CD1-SD 4.17Å; L343-M351 HydrophobicContact CD2-SD 4.48Å
344L95.3Very high92.9Very high51 Ų5146.9 Ų46.927%0.26726%0.257SS..  trans-85.1156.2-177.1-58.2177.1000111.9P8 S12 L149 I342 G346 T347 M348P8-L344 HydrophobicContact CB-CD2 4.17Å; S12-L344 VanDerWaalsContact CB-CB 3.43Å; L149-L344 HydrophobicContact CD2-CD2 3.85Å; I342-L344 HydrophobicContact CG2-CD2 3.9Å; I342-L344 PolarHBondContact O-N 2.69Å; L344-G346 PolarHBondContact O-N 2.98Å; L344-T347 WeakPolarHBondContact O-CB 3.41Å; L344-T347 PolarHBondContact O-N 2.82Å; L344-T347 VanDerWaalsContact O-N 3.08Å; L344-M348 PolarHBondContact O-N 2.8Å
345P94.4Very high92.4Very high0 Ų048.2 Ų48.20%027%0.267CS..Hα-helixtrans-53.4-47.9-176.6-31.837.9000114.5S12 M108 V147 L149 T347 M348 L349S12-P345 WeakPolarHBondContact OG-CD 3.48Å; M108-P345 HydrophobicContact CE-CB 4.32Å; V147-P345 HydrophobicContact CB-CB 3.82Å; V147-P345 HydrophobicContact CB-CG 4Å; V147-P345 HydrophobicContact CG1-CB 3.91Å; V147-P345 HydrophobicContact CG1-CG 4.1Å; L149-P345 HydrophobicContact CD2-CG 4.15Å; P345-T347 VanDerWaalsContact C-N 3.3Å; P345-T347 PolarHBondContact O-N 3.45Å; P345-M348 WeakPolarHBondContact O-CB 3.15Å; P345-M348 PolarHBondContact O-N 3.49Å; P345-L349 WeakPolarHBondContact O-CG 3.4Å; P345-L349 PolarHBondContact O-N 2.86Å
346G94Very high92Very high0 Ų044 Ų440%025%0.25CC..Hα-helixtrans-63.3-38.5179.300000112.4S12 F16 L344 M348 L349 L350S12-G346 WeakPolarHBondContact O-CA 3.44Å; S12-G346 PolarHBondContact OG-N 2.93Å; F16-G346 WeakPolarHBondContact CB-O 3.48Å; L344-G346 PolarHBondContact O-N 2.98Å; G346-M348 VanDerWaalsContact C-N 3.34Å; G346-M348 PolarHBondContact O-N 3.46Å; G346-L349 PolarHBondContact O-N 3.22Å; G346-L350 PolarHBondContact O-N 2.96Å
347T92.5Very high91.4Very high14 Ų1440.7 Ų40.79%0.08623%0.232CC..Hα-helixtrans-60.9-43.8174.5-58.50000111.6H187 L343 L344 P345 L350 M351H187-T347 HydrophobicContact CB-CG2 3.55Å; H187-T347 VanDerWaalsContact CD2-CG2 3.43Å; H187-T347 WeakPolarHBondContact CD2-CG2 3.4Å; H187-T347 VanDerWaalsContact CG-CG2 3.43Å; H187-T347 PolarHBondContact NE2-OG1 3.2Å; L343-T347 HydrophobicContact CD1-CG2 3.48Å; L343-T347 VanDerWaalsContact CD1-CG2 3.48Å; L344-T347 WeakPolarHBondContact O-CB 3.41Å; L344-T347 PolarHBondContact O-N 2.82Å; L344-T347 VanDerWaalsContact O-N 3.08Å; P345-T347 VanDerWaalsContact C-N 3.3Å; P345-T347 PolarHBondContact O-N 3.45Å; T347-L350 PolarHBondContact O-N 2.86Å; T347-M351 HydrophobicContact CG2-CE 3.85Å; T347-M351 WeakPolarHBondContact O-CG 3.4Å; T347-M351 PolarHBondContact O-N 2.91Å; T347-M351 VanDerWaalsContact O-N 3.11Å
348M92.1Very high90.4Very high44 Ų4438.2 Ų38.222%0.21722%0.217CC..Hα-helixtrans-62.3-43.3175.5-64.3176.961.100112V147 L150 L343 L344 P345 G346 L350 M351 L352V147-M348 HydrophobicContact CG1-CE 4.35Å; V147-M348 HydrophobicContact CG1-SD 3.96Å; L150-M348 HydrophobicContact CD1-CE 3.53Å; L150-M348 HydrophobicContact CD1-SD 3.86Å; L150-M348 HydrophobicContact CG-CE 4.36Å; L150-M348 HydrophobicContact CG-SD 4.16Å; L343-M348 HydrophobicContact CD1-CG 4.44Å; L343-M348 HydrophobicContact CD2-CG 3.49Å; L343-M348 VanDerWaalsContact CD2-CG 3.49Å; L343-M348 HydrophobicContact CD2-SD 4.15Å; L343-M348 HydrophobicContact CG-CG 3.55Å; L343-M348 HydrophobicContact CG-SD 4.32Å; L344-M348 PolarHBondContact O-N 2.8Å; P345-M348 WeakPolarHBondContact O-CB 3.15Å; P345-M348 PolarHBondContact O-N 3.49Å; G346-M348 VanDerWaalsContact C-N 3.34Å; G346-M348 PolarHBondContact O-N 3.46Å; M348-L350 VanDerWaalsContact C-N 3.31Å; M348-L350 PolarHBondContact O-N 2.82Å; M348-M351 WeakPolarHBondContact O-CB 3.41Å; M348-M351 PolarHBondContact O-N 2.85Å; M348-L352 WeakPolarHBondContact O-CG 3.37Å; M348-L352 PolarHBondContact O-N 3.49Å
349L92.4Very high89.3Confident45 Ų4544.5 Ų44.524%0.23624%0.235CC..Hα-helixtrans-63.6-38.3178.2-70.7171.1000111.7F13 F16 F138 P345 G346 L352 L353F13-L349 HydrophobicContact CD2-CD1 3.75Å; F13-L349 HydrophobicContact CE2-CD1 3.76Å; F16-L349 HydrophobicContact CD2-CB 3.84Å; F16-L349 HydrophobicContact CE2-CB 3.83Å; F16-L349 HydrophobicContact CG-CB 4.24Å; F16-L349 HydrophobicContact CZ-CB 4.22Å; F138-L349 HydrophobicContact CE1-CD1 4.45Å; F138-L349 HydrophobicContact CE2-CD1 4.43Å; F138-L349 HydrophobicContact CZ-CD1 3.69Å; P345-L349 WeakPolarHBondContact O-CG 3.4Å; P345-L349 PolarHBondContact O-N 2.86Å; G346-L349 PolarHBondContact O-N 3.22Å; L349-L352 PolarHBondContact O-N 2.98Å; L349-L353 VanDerWaalsContact O-CB 3.27Å; L349-L353 WeakPolarHBondContact O-CB 3.37Å; L349-L353 PolarHBondContact O-N 2.82Å
350L90.5Very high89Confident4 Ų446.4 Ų46.42%0.02125%0.245CC..Hα-helixtrans-63.5-44.2176.1-164.260.3000111.5F16 I20 A23 D186 G346 T347 M348 L352 L353 K354F16-L350 HydrophobicContact CD2-CB 3.89Å; F16-L350 HydrophobicContact CD2-CD1 3.97Å; F16-L350 HydrophobicContact CE2-CD1 4.32Å; I20-L350 HydrophobicContact CG1-CD1 4.49Å; A23-L350 HydrophobicContact CB-CD1 3.75Å; A23-L350 HydrophobicContact CB-CG 4.36Å; D186-L350 WeakPolarHBondContact O-CD2 3.32Å; G346-L350 PolarHBondContact O-N 2.96Å; T347-L350 PolarHBondContact O-N 2.86Å; M348-L350 VanDerWaalsContact C-N 3.31Å; M348-L350 PolarHBondContact O-N 2.82Å; L350-L352 PolarHBondContact O-N 2.93Å; L350-L353 PolarHBondContact O-N 3.01Å; L350-K354 PolarHBondContact O-N 3.06Å; L350-K354 VanDerWaalsContact O-N 3.09Å
351M88.1Confident88.5Confident47 Ų4746.3 Ų46.323%0.23225%0.246CC..Hα-helixtrans-59.1-45175.7-67.7169.217400111.7H187 L343 T347 M348 V355H187-M351 HydrophobicContact CB-CE 4.08Å; H187-M351 HydrophobicContact CB-CG 4.42Å; H187-M351 WeakPolarHBondContact O-CE 3.29Å; L343-M351 HydrophobicContact CD1-CE 3.62Å; L343-M351 HydrophobicContact CD1-SD 4.17Å; L343-M351 HydrophobicContact CD2-SD 4.48Å; T347-M351 HydrophobicContact CG2-CE 3.85Å; T347-M351 WeakPolarHBondContact O-CG 3.4Å; T347-M351 PolarHBondContact O-N 2.91Å; T347-M351 VanDerWaalsContact O-N 3.11Å; M348-M351 WeakPolarHBondContact O-CB 3.41Å; M348-M351 PolarHBondContact O-N 2.85Å; M351-V355 PolarHBondContact O-N 2.79Å
352L88.2Confident88.1Confident115 Ų11547.1 Ų47.160%0.60225%0.251SS*.Hα-helixtrans-66.5-42.5178.4-70.4172.8000112M348 L349 L350 K354 V355 A356M348-L352 WeakPolarHBondContact O-CG 3.37Å; M348-L352 PolarHBondContact O-N 3.49Å; L349-L352 PolarHBondContact O-N 2.98Å; L350-L352 PolarHBondContact O-N 2.93Å; L352-K354 VanDerWaalsContact C-N 3.28Å; L352-K354 PolarHBondContact O-N 2.84Å; L352-V355 PolarHBondContact O-N 2.78Å; L352-A356 PolarHBondContact O-N 3.18Å; L352-A356 VanDerWaalsContact O-N 3.11Å
353L88.6Confident87.7Confident10 Ų1043.8 Ų43.85%0.05224%0.235CC..Hα-helixtrans-61.3-38.8-179.7-17367.5000111.5F16 I20 L82 M103 L349 L350 V355 A356 F357F16-L353 HydrophobicContact CE2-CB 4.34Å; F16-L353 HydrophobicContact CE2-CD2 3.86Å; F16-L353 HydrophobicContact CZ-CD2 4.14Å; I20-L353 HydrophobicContact CB-CD2 4.38Å; I20-L353 HydrophobicContact CD1-CD2 4.04Å; I20-L353 HydrophobicContact CG1-CD2 3.78Å; I20-L353 HydrophobicContact CG2-CD2 3.87Å; L82-L353 HydrophobicContact CD2-CD1 3.74Å; L82-L353 HydrophobicContact CD2-CD2 4.09Å; L82-L353 HydrophobicContact CD2-CG 4.45Å; M103-L353 HydrophobicContact CE-CD1 4.03Å; M103-L353 HydrophobicContact SD-CD1 3.27Å; M103-L353 WeakPolarHBondContact SD-CD1 3.47Å; L349-L353 VanDerWaalsContact O-CB 3.27Å; L349-L353 WeakPolarHBondContact O-CB 3.37Å; L349-L353 PolarHBondContact O-N 2.82Å; L350-L353 PolarHBondContact O-N 3.01Å; L353-V355 PolarHBondContact O-N 3.28Å; L353-A356 CarbonylContact O-C 3.57Å; L353-A356 WeakPolarHBondContact O-CB 3.22Å; L353-A356 PolarHBondContact O-N 3.32Å; L353-F357 HydrophobicContact CD1-CE2 4.29Å; L353-F357 HydrophobicContact CD1-CZ 4.2Å; L353-F357 HydrophobicContact CD2-CE2 3.66Å; L353-F357 HydrophobicContact CD2-CZ 3.86Å; L353-F357 HydrophobicContact CG-CD2 4.07Å; L353-F357 HydrophobicContact CG-CE2 3.49Å; L353-F357 VanDerWaalsContact CG-CE2 3.49Å; L353-F357 HydrophobicContact CG-CZ 3.84Å; L353-F357 VanDerWaalsContact O-CD2 3.3Å; L353-F357 WeakPolarHBondContact O-CD2 3.39Å; L353-F357 PolarHBondContact O-N 3.21Å
354K82.7Confident87.4Confident34 Ų3445.3 Ų45.315%0.14824%0.243CC..Hα-helixtrans-63.2-40.4176.6-175.2176.8178171.10113D186 T188 L350 L352 A356 F357 S358D186-K354 IonicContact OD1-NZ 3.59Å; D186-K354 IonicContact OD2-NZ 3.57Å; D186-K354 PolarHBondContact OD2-NZ 2.9Å; T188-K354 VanDerWaalsContact OG1-CD 3.27Å; T188-K354 WeakPolarHBondContact OG1-CD 3.33Å; T188-K354 PolarHBondContact OG1-NZ 3.32Å; L350-K354 PolarHBondContact O-N 3.06Å; L350-K354 VanDerWaalsContact O-N 3.09Å; L352-K354 VanDerWaalsContact C-N 3.28Å; L352-K354 PolarHBondContact O-N 2.84Å; K354-A356 VanDerWaalsContact C-N 3.29Å; K354-F357 PolarHBondContact O-N 2.88Å; K354-S358 PolarHBondContact O-N 3.4Å; K354-S358 VanDerWaalsContact O-N 3.14Å; K354-S358 PolarHBondContact O-OG 3.05Å
355V81.6Confident86.8Confident71 Ų7144.9 Ų44.943%0.4324%0.241SC..Hα-helixtrans-60.6-45.7174.4177.50000109.4M351 L352 L353 F357 S358 E359M351-V355 PolarHBondContact O-N 2.79Å; L352-V355 PolarHBondContact O-N 2.78Å; L353-V355 PolarHBondContact O-N 3.28Å; V355-F357 VanDerWaalsContact C-N 3.32Å; V355-F357 PolarHBondContact O-N 3.22Å; V355-S358 PolarHBondContact O-N 3.32Å; V355-E359 HydrophobicContact CG1-CG 4.45Å; V355-E359 PolarHBondContact O-N 3.44Å
356A85.3Confident86.3Confident39 Ų3948.1 Ų48.132%0.32226%0.259SS..Hα-helixtrans-65-28.417800000114.4M103 L352 L353 K354M103-A356 HydrophobicContact CE-CB 4.4Å; L352-A356 PolarHBondContact O-N 3.18Å; L352-A356 VanDerWaalsContact O-N 3.11Å; L353-A356 CarbonylContact O-C 3.57Å; L353-A356 WeakPolarHBondContact O-CB 3.22Å; L353-A356 PolarHBondContact O-N 3.32Å; K354-A356 VanDerWaalsContact C-N 3.29Å
357F84Confident85.7Confident10 Ų1051.8 Ų51.84%0.04428%0.279CS..Hα-helixtrans-75.3-25.4171.7-69.9-53.2000113.5I20 V24 V27 L82 L102 L353 K354 V355I20-F357 HydrophobicContact CG2-CE2 4.34Å; I20-F357 HydrophobicContact CG2-CZ 4.08Å; V24-F357 HydrophobicContact CG2-CD1 4.43Å; V24-F357 HydrophobicContact CG2-CD2 3.97Å; V24-F357 HydrophobicContact CG2-CE1 3.88Å; V24-F357 HydrophobicContact CG2-CE2 3.37Å; V24-F357 HydrophobicContact CG2-CG 4.48Å; V24-F357 HydrophobicContact CG2-CZ 3.31Å; V27-F357 HydrophobicContact CG2-CB 3.66Å; V27-F357 HydrophobicContact CG2-CD2 4.35Å; V27-F357 HydrophobicContact CG2-CG 4.32Å; L82-F357 HydrophobicContact CD2-CE1 4.03Å; L82-F357 HydrophobicContact CD2-CZ 3.79Å; L102-F357 HydrophobicContact CD2-CD1 3.42Å; L102-F357 VanDerWaalsContact CD2-CD1 3.42Å; L102-F357 HydrophobicContact CD2-CE1 3.39Å; L353-F357 HydrophobicContact CD1-CE2 4.29Å; L353-F357 HydrophobicContact CD1-CZ 4.2Å; L353-F357 HydrophobicContact CD2-CE2 3.66Å; L353-F357 HydrophobicContact CD2-CZ 3.86Å; L353-F357 HydrophobicContact CG-CD2 4.07Å; L353-F357 HydrophobicContact CG-CE2 3.49Å; L353-F357 VanDerWaalsContact CG-CE2 3.49Å; L353-F357 HydrophobicContact CG-CZ 3.84Å; L353-F357 VanDerWaalsContact O-CD2 3.3Å; L353-F357 WeakPolarHBondContact O-CD2 3.39Å; L353-F357 PolarHBondContact O-N 3.21Å; K354-F357 PolarHBondContact O-N 2.88Å; V355-F357 VanDerWaalsContact C-N 3.32Å; V355-F357 PolarHBondContact O-N 3.22Å
358S76.2Confident85.1Confident48 Ų4854.9 Ų54.934%0.33630%0.295SS..Hα-helixtrans-87.9-30.8-174.3-56.50000112.8R30 K354 V355R30-S358 PolarHBondContact NH2-O 3.41Å; K354-S358 PolarHBondContact O-N 3.4Å; K354-S358 VanDerWaalsContact O-N 3.14Å; K354-S358 PolarHBondContact O-OG 3.05Å; V355-S358 PolarHBondContact O-N 3.32Å
359E72.1Confident84.5Confident192 Ų19255.9 Ų55.990%0.89730%0.302SS*.  trans-70.20166.3-68.9-179.1175.300110.3V355V355-E359 HydrophobicContact CG1-CG 4.45Å; V355-E359 PolarHBondContact O-N 3.44Å

Retrieved 359 of 359 residues in 854.8 ms (Link to these results)

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