A0A096MRY1_PAPAN Loading...

Family with sequence similarity 169 member A

AlphaFold DB , UniProt , Accession A0A096MRY1, Species PAPAN (Papio anubis, Olive baboon), Gene FAM169A, Length 670 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
1M77.1Confident90.1Very high189 Ų18961.6 Ų61.693%0.93133%0.325SS*.  0141.30-165.8158175.700106.8W88 S97M1-W88 HydrophobicContact CE-CH2 4.37Å; M1-S97 VanDerWaalsContact O-CB 3.31Å; M1-S97 WeakPolarHBondContact O-CB 3.31Å
2A91.1Very high90.3Very high40 Ų4060.4 Ų60.433%0.33133%0.325SS..  trans-74.2158.9171.400000109.8D6 M7 W88A2-D6 HydrophobicContact CB-CB 4.16Å; A2-M7 HydrophobicContact CB-CG 3.88Å; A2-M7 HydrophobicContact CB-SD 4.11Å; A2-W88 WeakPolarHBondContact O-CH2 3.29Å
3F95.8Very high90.4Very high43 Ų4359.8 Ų59.819%0.18932%0.319CS..  trans-112.4167.4169.1-66.3-83.7000109.9V5 D6 M7 W88 D92 K95F3-V5 VanDerWaalsContact C-N 3.28Å; F3-V5 PolarHBondContact O-N 3.28Å; F3-V5 VanDerWaalsContact O-N 3.16Å; F3-D6 PolarHBondContact N-OD2 2.87Å; F3-D6 WeakPolarHBondContact O-CA 3.44Å; F3-D6 VanDerWaalsContact O-CB 3.28Å; F3-D6 WeakPolarHBondContact O-CB 3.28Å; F3-D6 PolarHBondContact O-N 3Å; F3-M7 PolarHBondContact O-N 3.25Å; F3-W88 HydrophobicContact CD1-CZ3 4.36Å; F3-D92 HydrophobicContact CD1-CB 4.2Å; F3-D92 VanDerWaalsContact CD1-O 3.29Å; F3-D92 WeakPolarHBondContact CD1-O 3.35Å; F3-D92 HydrophobicContact CE1-CB 4.27Å; F3-K95 VanDerWaalsContact CB-O 3.23Å; F3-K95 WeakPolarHBondContact CB-O 3.39Å; F3-K95 HydrophobicContact CD1-CB 3.66Å; F3-K95 HydrophobicContact CD1-CD 4.49Å; F3-K95 HydrophobicContact CD2-CB 4.03Å; F3-K95 HydrophobicContact CE1-CB 3.64Å; F3-K95 HydrophobicContact CE1-CD 3.71Å; F3-K95 HydrophobicContact CE1-CG 4.29Å; F3-K95 HydrophobicContact CE2-CB 3.99Å; F3-K95 HydrophobicContact CG-CB 3.85Å; F3-K95 HydrophobicContact CZ-CB 3.79Å; F3-K95 HydrophobicContact CZ-CD 3.81Å; F3-K95 HydrophobicContact CZ-CG 4.47Å
4P95.5Very high90.6Very high2 Ų266.4 Ų66.41%0.01335%0.346CS..Hα-helixtrans-54.3-39.9-174.6-31.638.9000114.3D6 M7 L8 L83 W88 I93P4-D6 PolarHBondContact O-N 3.35Å; P4-M7 PolarHBondContact O-N 3.15Å; P4-L8 HydrophobicContact CB-CD1 4.31Å; P4-L8 WeakPolarHBondContact O-CB 3.32Å; P4-L8 WeakPolarHBondContact O-CG 3.31Å; P4-L8 PolarHBondContact O-N 3.3Å; P4-L83 HydrophobicContact CB-CB 4.4Å; P4-L83 HydrophobicContact CB-CD1 3.79Å; P4-L83 HydrophobicContact CG-CD1 4.08Å; P4-W88 HydrophobicContact CG-CB 3.95Å; P4-W88 HydrophobicContact CG-CD2 3.35Å; P4-W88 HydrophobicContact CG-CE3 3.75Å; P4-W88 HydrophobicContact CG-CG 3.43Å; P4-W88 VanDerWaalsContact CG-CG 3.43Å; P4-W88 HydrophobicContact CG-CZ2 4.33Å; P4-W88 HydrophobicContact CG-CZ3 4.38Å; P4-I93 HydrophobicContact CG-CG1 4.14Å
5V96.1Very high90.7Very high0 Ų069.4 Ų69.40%036%0.358CS..Hα-helixtrans-68.4-13176.468.60000114.2F3 K95 R101 E112 V115 W149F3-V5 VanDerWaalsContact C-N 3.28Å; F3-V5 PolarHBondContact O-N 3.28Å; F3-V5 VanDerWaalsContact O-N 3.16Å; V5-K95 WeakPolarHBondContact CG1-O 3.49Å; V5-R101 PolarHBondContact O-NH1 2.73Å; V5-R101 PolarHBondContact O-NH2 2.81Å; V5-E112 HydrophobicContact CG2-CG 3.99Å; V5-V115 HydrophobicContact CB-CG2 3.86Å; V5-V115 HydrophobicContact CG1-CG2 4.48Å; V5-V115 HydrophobicContact CG2-CG2 3.96Å; V5-W149 HydrophobicContact CB-CH2 4.41Å; V5-W149 HydrophobicContact CG1-CH2 3.92Å; V5-W149 HydrophobicContact CG1-CZ3 4.48Å; V5-W149 HydrophobicContact CG2-CH2 4Å; V5-W149 HydrophobicContact CG2-CZ2 4.1Å
6D94.4Very high90.8Very high28 Ų2865.4 Ų65.415%0.1534%0.338CS..Hα-helixtrans-93.2-19.5172.2-48.7-30000112.1A2 F3 P4 T96 S97 V98 R101A2-D6 HydrophobicContact CB-CB 4.16Å; F3-D6 PolarHBondContact N-OD2 2.87Å; F3-D6 WeakPolarHBondContact O-CA 3.44Å; F3-D6 VanDerWaalsContact O-CB 3.28Å; F3-D6 WeakPolarHBondContact O-CB 3.28Å; F3-D6 PolarHBondContact O-N 3Å; P4-D6 PolarHBondContact O-N 3.35Å; D6-T96 WeakPolarHBondContact OD1-CB 3.24Å; D6-T96 PolarHBondContact OD1-OG1 2.9Å; D6-S97 WeakPolarHBondContact OD2-CB 3.19Å; D6-S97 PolarHBondContact OD2-N 3.3Å; D6-S97 PolarHBondContact OD2-OG 2.93Å; D6-V98 HydrophobicContact CB-CG2 4.29Å; D6-R101 IonicContact OD1-NH1 2.91Å; D6-R101 PolarHBondContact OD1-NH1 2.99Å
7M93.3Very high91Very high77 Ų7762.9 Ų62.938%0.37932%0.324SS..Hα-helixtrans-98.3-41.2-177.8-65.51696200111.5A2 F3 P4 E9 A84 W88A2-M7 HydrophobicContact CB-CG 3.88Å; A2-M7 HydrophobicContact CB-SD 4.11Å; F3-M7 PolarHBondContact O-N 3.25Å; P4-M7 PolarHBondContact O-N 3.15Å; M7-E9 PolarHBondContact O-N 2.79Å; M7-A84 HydrophobicContact CE-CB 3.88Å; M7-W88 HydrophobicContact SD-CH2 4.48Å; M7-W88 HydrophobicContact SD-CZ2 3.95Å
8L91.8Very high91.1Very high1 Ų164.4 Ų64.41%0.00533%0.333CS..THydrogen-bonded Turntrans-80.633.2179.1-59.2172.6000113.1P4 C11 L83 A84 G111 V114P4-L8 HydrophobicContact CB-CD1 4.31Å; P4-L8 WeakPolarHBondContact O-CB 3.32Å; P4-L8 WeakPolarHBondContact O-CG 3.31Å; P4-L8 PolarHBondContact O-N 3.3Å; L8-C11 HydrophobicContact CB-CB 4.49Å; L8-C11 HydrophobicContact CD2-CB 3.75Å; L8-L83 HydrophobicContact CD1-CB 4.28Å; L8-L83 HydrophobicContact CD1-CD2 4.15Å; L8-A84 HydrophobicContact CD2-CB 4.31Å; L8-G111 PolarHBondContact O-N 3.09Å; L8-V114 HydrophobicContact CD1-CG2 4.44Å
9E84Confident91.3Very high107 Ų10761.8 Ų61.850%0.532%0.321SS..THydrogen-bonded Turntrans-81.5-33.3175.6-175.2149.8-104.400111.7M7 R101 T109M7-E9 PolarHBondContact O-N 2.79Å; E9-R101 IonicContact OE1-NH2 2.77Å; E9-T109 HydrophobicContact CG-CG2 4.1Å
10N83.8Confident91.5Very high155 Ų15558.8 Ų58.883%0.82931%0.305SS*.SBendtrans-115.24.6179.5-59.5-46.7000114.1
11C88.7Confident91.7Very high36 Ų3660.5 Ų60.524%0.24331%0.312CS..  trans-84.2136.8-177.2-177.80000111.3L8 L110L8-C11 HydrophobicContact CB-CB 4.49Å; L8-C11 HydrophobicContact CD2-CB 3.75Å; C11-L110 WeakPolarHBondContact O-CD2 3.5Å
12S91.6Very high92.6Very high47 Ų4756.8 Ų56.833%0.32930%0.296SS..  trans-84.7165.5173.868.20000112.5E14 E15 L16 L110S12-E14 VanDerWaalsContact C-N 3.35Å; S12-E15 VanDerWaalsContact CB-OE2 3.3Å; S12-E15 WeakPolarHBondContact CB-OE2 3.2Å; S12-E15 PolarHBondContact N-OE2 3.09Å; S12-E15 WeakPolarHBondContact OG-CB 3.41Å; S12-E15 VanDerWaalsContact OG-CD 3.24Å; S12-E15 VanDerWaalsContact OG-CG 3.25Å; S12-E15 WeakPolarHBondContact OG-CG 3.1Å; S12-E15 PolarHBondContact OG-N 2.95Å; S12-E15 PolarHBondContact OG-OE2 2.99Å; S12-L16 PolarHBondContact O-N 2.98Å; S12-L110 WeakPolarHBondContact O-CD2 3.48Å
13H92.4Very high92.8Very high53 Ų5356.1 Ų56.125%0.24529%0.285CS..Hα-helixtrans-67-36.3173.6-63.899.8000112.7L16 E17 Y58 Q64 L110H13-L16 PolarHBondContact O-N 2.88Å; H13-E17 WeakPolarHBondContact O-CB 3.11Å; H13-E17 PolarHBondContact O-N 3.22Å; H13-Y58 PolarHBondContact NE2-OH 2.99Å; H13-Q64 HydrophobicContact CB-CG 4.28Å; H13-Q64 PolarHBondContact CD2-OE1 2.69Å; H13-Q64 PolarHBondContact CE1-OE1 2.81Å; H13-Q64 PolarHBondContact ND1-NE2 3.19Å; H13-Q64 PolarHBondContact ND1-OE1 3.15Å; H13-Q64 PolarHBondContact NE2-OE1 3.21Å; H13-Q64 VanDerWaalsContact NE2-OE1 3.11Å; H13-L110 WeakPolarHBondContact NE2-CD1 3.41Å
14E92.9Very high92.8Very high151 Ų15154.9 Ų54.971%0.70628%0.28SS*.Hα-helixtrans-65.5-45.8179.6-65.8172.4-158.900111.2S12 L16 E17 N18S12-E14 VanDerWaalsContact C-N 3.35Å; E14-L16 VanDerWaalsContact C-N 3.31Å; E14-L16 PolarHBondContact O-N 3.23Å; E14-E17 PolarHBondContact O-N 3.48Å; E14-N18 VanDerWaalsContact O-CB 3.24Å; E14-N18 WeakPolarHBondContact O-CB 3.24Å; E14-N18 PolarHBondContact O-N 2.77Å; E14-N18 PolarHBondContact O-ND2 3.09Å; E14-N18 VanDerWaalsContact O-ND2 3.08Å
15E92.4Very high92.7Very high112 Ų11257.6 Ų57.652%0.52330%0.299SS..Hα-helixtrans-59.8-40.8174.9-70.6160.813400112.3S12 S19S12-E15 VanDerWaalsContact CB-OE2 3.3Å; S12-E15 WeakPolarHBondContact CB-OE2 3.2Å; S12-E15 PolarHBondContact N-OE2 3.09Å; S12-E15 WeakPolarHBondContact OG-CB 3.41Å; S12-E15 VanDerWaalsContact OG-CD 3.24Å; S12-E15 VanDerWaalsContact OG-CG 3.25Å; S12-E15 WeakPolarHBondContact OG-CG 3.1Å; S12-E15 PolarHBondContact OG-N 2.95Å; S12-E15 PolarHBondContact OG-OE2 2.99Å; E15-S19 WeakPolarHBondContact O-CB 3.11Å; E15-S19 PolarHBondContact O-N 3.4Å
16L92.5Very high92.6Very high6 Ų663.3 Ų63.33%0.03133%0.329CS..Hα-helixtrans-71.4-37.1-179.3-17760.7000112.7S12 H13 E14 A20 I66 L83 L110S12-L16 PolarHBondContact O-N 2.98Å; H13-L16 PolarHBondContact O-N 2.88Å; E14-L16 VanDerWaalsContact C-N 3.31Å; E14-L16 PolarHBondContact O-N 3.23Å; L16-A20 WeakPolarHBondContact O-CB 3.45Å; L16-A20 PolarHBondContact O-N 3.24Å; L16-I66 HydrophobicContact CD2-CG2 3.87Å; L16-L83 HydrophobicContact CD1-CD2 4.13Å; L16-L83 HydrophobicContact CD2-CD2 4.21Å; L16-L110 HydrophobicContact CB-CD2 4.38Å; L16-L110 HydrophobicContact CD2-CD1 4.36Å; L16-L110 HydrophobicContact CD2-CD2 3.96Å; L16-L110 HydrophobicContact CD2-CG 4.35Å
17E93Very high92.6Very high22 Ų2263.5 Ų63.510%0.10333%0.33CS..Hα-helixtrans-77.3-39.1178.5-164.9151.4178.200111.5H13 E14 A20 E21 Q64 K65H13-E17 WeakPolarHBondContact O-CB 3.11Å; H13-E17 PolarHBondContact O-N 3.22Å; E14-E17 PolarHBondContact O-N 3.48Å; E17-A20 CarbonylContact O-C 3.6Å; E17-A20 WeakPolarHBondContact O-CB 3.34Å; E17-A20 PolarHBondContact O-N 3.32Å; E17-E21 PolarHBondContact O-N 2.71Å; E17-Q64 WeakPolarHBondContact OE2-CA 3.47Å; E17-K65 WeakPolarHBondContact OE1-CB 3.46Å; E17-K65 WeakPolarHBondContact OE1-CG 3.32Å; E17-K65 IonicContact OE1-NZ 2.77Å; E17-K65 PolarHBondContact OE1-NZ 3.32Å; E17-K65 PolarHBondContact OE2-N 3.14Å
18N94.1Very high92.5Very high91 Ų9167.8 Ų67.849%0.48734%0.342SS..Hα-helixtrans-60.4-48.9172.7-68.1-23.8000111.7E14 A20 E21 D22E14-N18 VanDerWaalsContact O-CB 3.24Å; E14-N18 WeakPolarHBondContact O-CB 3.24Å; E14-N18 PolarHBondContact O-N 2.77Å; E14-N18 PolarHBondContact O-ND2 3.09Å; E14-N18 VanDerWaalsContact O-ND2 3.08Å; N18-A20 PolarHBondContact O-N 3.2Å; N18-E21 PolarHBondContact O-N 3.4Å; N18-D22 PolarHBondContact O-N 3.04Å
19S94.6Very high92.4Very high15 Ų1573 Ų7311%0.10538%0.377CS..Hα-helixtrans-54.2-38.5174.9170.60000111.9E15 Y23 Y82 D85E15-S19 WeakPolarHBondContact O-CB 3.11Å; E15-S19 PolarHBondContact O-N 3.4Å; S19-Y23 WeakPolarHBondContact O-CB 3.4Å; S19-Y23 PolarHBondContact O-N 2.63Å; S19-Y23 VanDerWaalsContact O-N 3.13Å; S19-Y82 WeakPolarHBondContact OG-CE1 3.16Å; S19-D85 WeakPolarHBondContact CB-OD1 3.38Å; S19-D85 PolarHBondContact OG-OD1 3.11Å
20A95.3Very high92.5Very high0 Ų070.1 Ų70.10%038%0.377CS..Hα-helixtrans-74.2-34.2175.500000114.3L16 E17 N18 M24 F54 L67L16-A20 WeakPolarHBondContact O-CB 3.45Å; L16-A20 PolarHBondContact O-N 3.24Å; E17-A20 CarbonylContact O-C 3.6Å; E17-A20 WeakPolarHBondContact O-CB 3.34Å; E17-A20 PolarHBondContact O-N 3.32Å; N18-A20 PolarHBondContact O-N 3.2Å; A20-M24 VanDerWaalsContact O-CB 3.28Å; A20-M24 WeakPolarHBondContact O-CB 3.11Å; A20-M24 WeakPolarHBondContact O-CG 3.31Å; A20-M24 PolarHBondContact O-N 3.17Å; A20-F54 HydrophobicContact CB-CE1 3.7Å; A20-F54 HydrophobicContact CB-CZ 4.18Å; A20-L67 HydrophobicContact CB-CB 3.92Å
21E95.5Very high92.6Very high95 Ų9567.4 Ų67.444%0.44436%0.362SS..Hα-helixtrans-73.2-37.1175.4-74-164.6167.200112.5E17 N18 M24 S25 F54E17-E21 PolarHBondContact O-N 2.71Å; N18-E21 PolarHBondContact O-N 3.4Å; E21-M24 PolarHBondContact O-N 2.55Å; E21-S25 WeakPolarHBondContact O-CB 3.24Å; E21-S25 PolarHBondContact O-N 3.33Å; E21-S25 PolarHBondContact O-OG 2.67Å; E21-F54 HydrophobicContact CG-CE1 4.3Å; E21-F54 HydrophobicContact CG-CZ 3.71Å
22D95.7Very high92.3Very high112 Ų11270.8 Ų70.860%0.59938%0.383SS*.Hα-helixtrans-61.9-52.1171.3-76.4-27000110.3N18 M24 S25 D26N18-D22 PolarHBondContact O-N 3.04Å; D22-M24 VanDerWaalsContact C-N 3.3Å; D22-M24 PolarHBondContact O-N 2.8Å; D22-S25 WeakPolarHBondContact O-CA 3.35Å; D22-S25 WeakPolarHBondContact O-CB 3.35Å; D22-S25 PolarHBondContact O-N 2.9Å; D22-D26 PolarHBondContact O-N 3.09Å
23Y96.1Very high92Very high26 Ų2676.8 Ų76.810%0.10241%0.406CS..Hα-helixtrans-59.3-38.8175.8-176.1-90.2000112.6S19 S25 D26 L27 E36 I47 L67 Y82 W87S19-Y23 WeakPolarHBondContact O-CB 3.4Å; S19-Y23 PolarHBondContact O-N 2.63Å; S19-Y23 VanDerWaalsContact O-N 3.13Å; Y23-S25 PolarHBondContact O-N 3.05Å; Y23-D26 PolarHBondContact O-N 3.42Å; Y23-L27 HydrophobicContact CE1-CB 4.5Å; Y23-L27 HydrophobicContact CE1-CD2 4.18Å; Y23-L27 VanDerWaalsContact O-CB 3.29Å; Y23-L27 WeakPolarHBondContact O-CB 3.42Å; Y23-L27 PolarHBondContact O-N 3.26Å; Y23-E36 WeakPolarHBondContact CE2-OE2 3.37Å; Y23-E36 PolarHBondContact OH-OE2 3.41Å; Y23-I47 HydrophobicContact CE1-CG2 4.45Å; Y23-L67 HydrophobicContact CD1-CD2 3.8Å; Y23-L67 HydrophobicContact CE1-CD2 4.44Å; Y23-Y82 HydrophobicContact CD1-CD2 4.49Å; Y23-Y82 HydrophobicContact CD1-CE2 4.37Å; Y23-Y82 HydrophobicContact CD2-CD2 4.48Å; Y23-Y82 HydrophobicContact CD2-CE1 4.42Å; Y23-Y82 AromaticContact CD2-CE2 3.63Å; Y23-Y82 HydrophobicContact CD2-CE2 3.63Å; Y23-Y82 AromaticContact CD2-CZ 3.59Å; Y23-Y82 WeakPolarHBondContact CD2-OH 3.39Å; Y23-Y82 AromaticContact CE2-CE2 3.98Å; Y23-Y82 HydrophobicContact CE2-CE2 3.98Å; Y23-Y82 HydrophobicContact CG-CD2 4.37Å; Y23-Y82 HydrophobicContact CG-CE1 4.08Å; Y23-Y82 AromaticContact CG-CE2 3.85Å; Y23-Y82 HydrophobicContact CG-CE2 3.85Å; Y23-Y82 AromaticContact CG-CZ 3.68Å; Y23-W87 HydrophobicContact CD1-CZ2 4.31Å; Y23-W87 AromaticContact CE1-CE2 3.89Å; Y23-W87 AromaticContact CE1-CZ2 3.69Å; Y23-W87 HydrophobicContact CE1-CZ2 3.69Å; Y23-W87 AromaticContact CE1-NE1 3.56Å; Y23-W87 AromaticContact CZ-NE1 3.27Å; Y23-W87 VanDerWaalsContact CZ-NE1 3.27Å; Y23-W87 PolarHBondContact OH-NE1 2.78Å
24M94.9Very high91.7Very high17 Ų1780.3 Ų80.38%0.08443%0.427CS..Hα-helixtrans-70.8-13.5174.1-83.9-65.5-71.900114.6A20 E21 D22 L27 R28 L49 V52 F54 L67A20-M24 VanDerWaalsContact O-CB 3.28Å; A20-M24 WeakPolarHBondContact O-CB 3.11Å; A20-M24 WeakPolarHBondContact O-CG 3.31Å; A20-M24 PolarHBondContact O-N 3.17Å; E21-M24 PolarHBondContact O-N 2.55Å; D22-M24 VanDerWaalsContact C-N 3.3Å; D22-M24 PolarHBondContact O-N 2.8Å; M24-L27 HydrophobicContact SD-CD2 4.12Å; M24-R28 WeakPolarHBondContact O-CD 3.43Å; M24-R28 VanDerWaalsContact O-CG 3.27Å; M24-R28 WeakPolarHBondContact O-CG 3.49Å; M24-R28 PolarHBondContact O-NE 3.39Å; M24-L49 HydrophobicContact CE-CD2 4.18Å; M24-V52 HydrophobicContact SD-CB 4.26Å; M24-V52 HydrophobicContact SD-CG1 3.48Å; M24-V52 WeakPolarHBondContact SD-CG1 3.32Å; M24-F54 HydrophobicContact CB-CE2 4.3Å; M24-F54 HydrophobicContact CB-CZ 4.46Å; M24-F54 HydrophobicContact CG-CE2 3.83Å; M24-F54 HydrophobicContact CG-CZ 4.07Å; M24-L67 HydrophobicContact CG-CD1 3.41Å; M24-L67 VanDerWaalsContact CG-CD1 3.41Å; M24-L67 HydrophobicContact CG-CD2 3.67Å; M24-L67 HydrophobicContact CG-CG 4.19Å; M24-L67 HydrophobicContact SD-CD1 3.86Å; M24-L67 HydrophobicContact SD-CD2 4.13Å
25S94.6Very high91.5Very high59 Ų5975.5 Ų75.541%0.41341%0.409SS..Hα-helixtrans-89-43.7173.5-60.80000110.3E21 D22 Y23 L27 R28 C29E21-S25 WeakPolarHBondContact O-CB 3.24Å; E21-S25 PolarHBondContact O-N 3.33Å; E21-S25 PolarHBondContact O-OG 2.67Å; D22-S25 WeakPolarHBondContact O-CA 3.35Å; D22-S25 WeakPolarHBondContact O-CB 3.35Å; D22-S25 PolarHBondContact O-N 2.9Å; Y23-S25 PolarHBondContact O-N 3.05Å; S25-L27 PolarHBondContact O-N 3.48Å; S25-R28 WeakPolarHBondContact O-CB 3.49Å; S25-R28 PolarHBondContact O-N 3.47Å; S25-R28 VanDerWaalsContact O-N 3.12Å; S25-C29 PolarHBondContact O-N 3.24Å; S25-C29 PolarHBondContact O-SG 2.85Å; S25-C29 VanDerWaalsContact O-SG 3.38Å
26D93.4Very high91.5Very high119 Ų11975 Ų7564%0.63641%0.407SS*.Hα-helixtrans-60-42.8171.2-80.6-11.8000111.7D22 Y23 R28 C29 G30D22-D26 PolarHBondContact O-N 3.09Å; Y23-D26 PolarHBondContact O-N 3.42Å; D26-R28 PolarHBondContact O-N 3.34Å; D26-R28 VanDerWaalsContact O-N 3.12Å; D26-C29 CarbonylContact O-C 3.52Å; D26-C29 WeakPolarHBondContact O-CA 3.33Å; D26-C29 PolarHBondContact O-N 3.21Å; D26-G30 PolarHBondContact O-N 3.21Å
27L93.3Very high91.4Very high32 Ų3277.9 Ų77.917%0.16843%0.426CS..Hα-helixtrans-63.2-18.2176.8-171.761.6000113.5Y23 M24 S25 I47 L49 V52Y23-L27 HydrophobicContact CE1-CB 4.5Å; Y23-L27 HydrophobicContact CE1-CD2 4.18Å; Y23-L27 VanDerWaalsContact O-CB 3.29Å; Y23-L27 WeakPolarHBondContact O-CB 3.42Å; Y23-L27 PolarHBondContact O-N 3.26Å; M24-L27 HydrophobicContact SD-CD2 4.12Å; S25-L27 PolarHBondContact O-N 3.48Å; L27-I47 HydrophobicContact CD1-CG2 4.18Å; L27-I47 HydrophobicContact CD2-CG2 4.06Å; L27-L49 HydrophobicContact CB-CD2 4.27Å; L27-L49 HydrophobicContact CD2-CD2 4.06Å; L27-L49 HydrophobicContact CG-CD2 3.88Å; L27-L49 HydrophobicContact CG-CG 4.46Å; L27-V52 HydrophobicContact CD2-CB 4.11Å; L27-V52 HydrophobicContact CD2-CG1 4.32Å; L27-V52 HydrophobicContact CD2-CG2 3.94Å
28R92.5Very high91.5Very high167 Ų16777.9 Ų77.963%0.6343%0.426SS*.Hα-helixtrans-85.2-20.3171.2-64167.4-162.9-153.83.1113.4M24 S25 D26 L49M24-R28 WeakPolarHBondContact O-CD 3.43Å; M24-R28 VanDerWaalsContact O-CG 3.27Å; M24-R28 WeakPolarHBondContact O-CG 3.49Å; M24-R28 PolarHBondContact O-NE 3.39Å; S25-R28 WeakPolarHBondContact O-CB 3.49Å; S25-R28 PolarHBondContact O-N 3.47Å; S25-R28 VanDerWaalsContact O-N 3.12Å; D26-R28 PolarHBondContact O-N 3.34Å; D26-R28 VanDerWaalsContact O-N 3.12Å; R28-L49 HydrophobicContact CB-CD1 4.44Å; R28-L49 HydrophobicContact CG-CD1 3.87Å; R28-L49 HydrophobicContact CG-CD2 3.76Å; R28-L49 HydrophobicContact CG-CG 4.47Å
29C90.1Very high91.3Very high111 Ų11177.6 Ų77.675%0.7543%0.431SS*.Hα-helixtrans-101.5-11.6-179.1-57.10000112.6S25 D26S25-C29 PolarHBondContact O-N 3.24Å; S25-C29 PolarHBondContact O-SG 2.85Å; S25-C29 VanDerWaalsContact O-SG 3.38Å; D26-C29 CarbonylContact O-C 3.52Å; D26-C29 WeakPolarHBondContact O-CA 3.33Å; D26-C29 PolarHBondContact O-N 3.21Å
30G86.3Confident90.9Very high47 Ų4778.9 Ų78.949%0.48544%0.437SS..SBendtrans-65.7159.6176.500000114.3D26 P32D26-G30 PolarHBondContact O-N 3.21Å; G30-P32 WeakPolarHBondContact O-CD 3.5Å
31D85.4Confident89.8Confident97 Ų9785.6 Ų85.652%0.51947%0.472SS..  trans-75.9115.5178.7-176.3-3.2000111E33 N34D31-E33 PolarHBondContact O-N 3.03Å; D31-E33 WeakPolarHBondContact OD1-CB 3.37Å; D31-E33 PolarHBondContact OD1-N 3.2Å; D31-N34 CarbonylContact O-C 3.35Å; D31-N34 PolarHBondContact O-N 3.43Å; D31-N34 VanDerWaalsContact O-N 3.16Å
32P82.4Confident89Confident107 Ų10789.5 Ų89.570%0.69550%0.496SS*.THydrogen-bonded Turntrans-67.5-19.2179.829.6-36.3000113.5G30 N34G30-P32 WeakPolarHBondContact O-CD 3.5Å; P32-N34 VanDerWaalsContact C-N 3.33Å
33E84Confident88.5Confident173 Ų17388.5 Ų88.581%0.80849%0.489SS*.THydrogen-bonded Turntrans-83-11.7177.1-57.6-65.6138.800112.3D31D31-E33 PolarHBondContact O-N 3.03Å; D31-E33 WeakPolarHBondContact OD1-CB 3.37Å; D31-E33 PolarHBondContact OD1-N 3.2Å
34N86.9Confident88.2Confident128 Ų12891.4 Ų91.468%0.68451%0.51SS*.SBendtrans-139.268.6177.8-175.283.1000111.6D31 P32D31-N34 CarbonylContact O-C 3.35Å; D31-N34 PolarHBondContact O-N 3.43Å; D31-N34 VanDerWaalsContact O-N 3.16Å; P32-N34 VanDerWaalsContact C-N 3.33Å
35P88.2Confident88.1Confident50 Ų5090.8 Ų90.833%0.32551%0.507SS..  trans-70.5148.8-178.129.2-36000113.1C37 P46P35-C37 PolarHBondContact O-SG 3.23Å; P35-P46 HydrophobicContact CB-CB 4.18Å; P35-P46 HydrophobicContact CG-CB 3.79Å
36E92.1Very high88Confident102 Ų10290.8 Ų90.848%0.47751%0.506SS..  trans-58.9147.1165.9-161.5-160.2144.200109.7Y23 I47Y23-E36 WeakPolarHBondContact CE2-OE2 3.37Å; Y23-E36 PolarHBondContact OH-OE2 3.41Å; E36-I47 HydrophobicContact CB-CB 4.42Å; E36-I47 HydrophobicContact CB-CD1 3.91Å; E36-I47 HydrophobicContact CG-CD1 3.87Å; E36-I47 WeakPolarHBondContact O-CB 3.28Å; E36-I47 PolarHBondContact O-N 2.86Å
37C91.4Very high88Confident65 Ų6585.2 Ų85.244%0.43948%0.476SS..EExtended strand (participates in β ladder)trans-130108.3-170.3-77.90000112.3P35 T44 I45P35-C37 PolarHBondContact O-SG 3.23Å; C37-T44 HydrophobicContact CB-CG2 3.64Å; C37-I45 CarbonylContact C-O 3.06Å; C37-I45 WeakPolarHBondContact CA-O 3.39Å
38F94Very high88Confident23 Ų2385.4 Ų85.410%0.10148%0.48CS..EExtended strand (participates in β ladder)trans-74.4133.9173.4-170.8-109.6000110.9L40 T44 I45 I47 L69 A80 W87 A89F38-L40 HydrophobicContact CD1-CB 4.25Å; F38-L40 HydrophobicContact CE1-CB 3.93Å; F38-L40 HydrophobicContact CE1-CD1 4.48Å; F38-T44 CarbonylContact O-C 3.5Å; F38-T44 WeakPolarHBondContact O-CA 3.46Å; F38-I45 PolarHBondContact N-O 3.17Å; F38-I45 PolarHBondContact O-N 3.14Å; F38-I47 HydrophobicContact CB-CD1 4.07Å; F38-I47 HydrophobicContact CB-CG1 4.11Å; F38-L69 HydrophobicContact CB-CD2 3.55Å; F38-L69 HydrophobicContact CD1-CD2 3.83Å; F38-L69 HydrophobicContact CG-CD2 3.79Å; F38-A80 HydrophobicContact CD1-CB 4.14Å; F38-A80 HydrophobicContact CE1-CB 3.66Å; F38-A80 HydrophobicContact CE2-CB 4.16Å; F38-A80 HydrophobicContact CZ-CB 3.68Å; F38-W87 HydrophobicContact CD2-CB 3.61Å; F38-W87 HydrophobicContact CD2-CG 4.35Å; F38-W87 HydrophobicContact CE2-CB 3.7Å; F38-A89 HydrophobicContact CZ-CB 4.03Å
39S90.3Very high87.9Confident85 Ų8581.9 Ų81.959%0.59447%0.473SS*.EExtended strand (participates in β ladder)trans-115.2115-176.7-67.40000111.8
40L86.3Confident88Confident42 Ų4282 Ų8222%0.2248%0.475CS..EExtended strand (participates in β ladder)trans-129.3112-175-178.864.8000110.9F38 N42 I43 V79 A89F38-L40 HydrophobicContact CD1-CB 4.25Å; F38-L40 HydrophobicContact CE1-CB 3.93Å; F38-L40 HydrophobicContact CE1-CD1 4.48Å; L40-N42 VanDerWaalsContact C-N 3.27Å; L40-N42 PolarHBondContact O-N 3.38Å; L40-N42 VanDerWaalsContact O-N 3.12Å; L40-I43 PolarHBondContact N-O 2.99Å; L40-I43 WeakPolarHBondContact O-CB 3.39Å; L40-I43 PolarHBondContact O-N 3.3Å; L40-V79 HydrophobicContact CD2-CB 4.05Å; L40-A89 HydrophobicContact CD1-CB 3.76Å
41L73.1Confident88.3Confident141 Ų14180.6 Ų80.674%0.73846%0.456SS*.THydrogen-bonded Turntrans5041.2169.8-58.3175.6000114.8
42N77.4Confident88.8Confident176 Ų17676.5 Ų76.594%0.94144%0.435SS*.THydrogen-bonded Turntrans77.67.6-175.8-38.5-69.2000116.5L40L40-N42 VanDerWaalsContact C-N 3.27Å; L40-N42 PolarHBondContact O-N 3.38Å; L40-N42 VanDerWaalsContact O-N 3.12Å
43I85.4Confident89.4Confident91 Ų9172.3 Ų72.347%0.46741%0.411SS..EExtended strand (participates in β ladder)trans-99.1135.7165.1-53.6179.3000108.2L40 I45L40-I43 PolarHBondContact N-O 2.99Å; L40-I43 WeakPolarHBondContact O-CB 3.39Å; L40-I43 PolarHBondContact O-N 3.3Å; I43-I45 HydrophobicContact CG2-CG1 3.97Å
44T91.1Very high89.9Confident87 Ų8767.1 Ų67.153%0.53439%0.386SS..EExtended strand (participates in β ladder)trans-110.8117.9172.8-58.10000108.5C37 F38C37-T44 HydrophobicContact CB-CG2 3.64Å; F38-T44 CarbonylContact O-C 3.5Å; F38-T44 WeakPolarHBondContact O-CA 3.46Å
45I91.6Very high90.2Very high5 Ų562 Ų623%0.02636%0.359CS..EExtended strand (participates in β ladder)trans-107113.2-175.1-59.9176.4000107.7C37 F38 I43 I47 L69 P72 V79C37-I45 CarbonylContact C-O 3.06Å; C37-I45 WeakPolarHBondContact CA-O 3.39Å; F38-I45 PolarHBondContact N-O 3.17Å; F38-I45 PolarHBondContact O-N 3.14Å; I43-I45 HydrophobicContact CG2-CG1 3.97Å; I45-I47 PolarHBondContact O-N 3.22Å; I45-L69 HydrophobicContact CG2-CD1 4.34Å; I45-L69 HydrophobicContact CG2-CD2 4.23Å; I45-L69 HydrophobicContact CG2-CG 4.47Å; I45-P72 HydrophobicContact CG1-CG 4.38Å; I45-P72 HydrophobicContact CG2-CG 3.97Å; I45-V79 HydrophobicContact CD1-CG2 3.82Å
46P92.4Very high90.5Very high59 Ų5961.7 Ų61.738%0.38336%0.357SS..EExtended strand (participates in β ladder)trans-65.6130.8171.328.4-32.8000109.2P35 N51P35-P46 HydrophobicContact CB-CB 4.18Å; P35-P46 HydrophobicContact CG-CB 3.79Å; P46-N51 PolarHBondContact O-ND2 3.22Å
47I94.4Very high90.6Very high1 Ų157 Ų571%0.00534%0.336CS..  trans-86.8128.5180-58.9158.9000107.7Y23 L27 E36 F38 I45 V52 L69 W87Y23-I47 HydrophobicContact CE1-CG2 4.45Å; L27-I47 HydrophobicContact CD1-CG2 4.18Å; L27-I47 HydrophobicContact CD2-CG2 4.06Å; E36-I47 HydrophobicContact CB-CB 4.42Å; E36-I47 HydrophobicContact CB-CD1 3.91Å; E36-I47 HydrophobicContact CG-CD1 3.87Å; E36-I47 WeakPolarHBondContact O-CB 3.28Å; E36-I47 PolarHBondContact O-N 2.86Å; F38-I47 HydrophobicContact CB-CD1 4.07Å; F38-I47 HydrophobicContact CB-CG1 4.11Å; I45-I47 PolarHBondContact O-N 3.22Å; I47-V52 HydrophobicContact CG2-CG2 3.55Å; I47-L69 HydrophobicContact CG1-CD1 4.19Å; I47-L69 HydrophobicContact CG1-CD2 4.25Å; I47-L69 HydrophobicContact CG2-CD1 4.34Å; I47-W87 HydrophobicContact CG2-CZ2 4.28Å
48S92.1Very high90.7Very high36 Ų3654.7 Ų54.725%0.25232%0.318SS..  trans-158.2164.8-174.768.50000112.1S50 N51 V52S48-S50 PolarHBondContact O-N 3.17Å; S48-S50 PolarHBondContact OG-OG 3.38Å; S48-S50 VanDerWaalsContact OG-OG 3.06Å; S48-N51 PolarHBondContact N-OD1 3.3Å; S48-N51 PolarHBondContact O-N 2.97Å; S48-N51 VanDerWaalsContact O-N 3.15Å; S48-N51 PolarHBondContact O-OD1 3.39Å; S48-N51 PolarHBondContact OG-OD1 3.41Å; S48-V52 WeakPolarHBondContact O-CB 3.4Å; S48-V52 WeakPolarHBondContact O-CG2 3.47Å; S48-V52 PolarHBondContact O-N 2.74Å; S48-V52 VanDerWaalsContact O-N 3.08Å
49L91.8Very high90.2Very high93 Ų9354.6 Ų54.649%0.48732%0.323SS..THydrogen-bonded Turntrans-62.9-9.8178.6-57.4176.2000114.6M24 L27 R28M24-L49 HydrophobicContact CE-CD2 4.18Å; L27-L49 HydrophobicContact CB-CD2 4.27Å; L27-L49 HydrophobicContact CD2-CD2 4.06Å; L27-L49 HydrophobicContact CG-CD2 3.88Å; L27-L49 HydrophobicContact CG-CG 4.46Å; R28-L49 HydrophobicContact CB-CD1 4.44Å; R28-L49 HydrophobicContact CG-CD1 3.87Å; R28-L49 HydrophobicContact CG-CD2 3.76Å; R28-L49 HydrophobicContact CG-CG 4.47Å
50S91.1Very high89.4Confident113 Ų11354.2 Ų54.279%0.7933%0.332SS*.THydrogen-bonded Turntrans-94.8-16.4177.463.80000114.1S48S48-S50 PolarHBondContact O-N 3.17Å; S48-S50 PolarHBondContact OG-OG 3.38Å; S48-S50 VanDerWaalsContact OG-OG 3.06Å
51N93.3Very high89.2Confident18 Ų1854.8 Ų54.810%0.09634%0.336CS..THydrogen-bonded Turntrans-124.19.3177.168.4-15.1000114P46 S48 F70P46-N51 PolarHBondContact O-ND2 3.22Å; S48-N51 PolarHBondContact N-OD1 3.3Å; S48-N51 PolarHBondContact O-N 2.97Å; S48-N51 VanDerWaalsContact O-N 3.15Å; S48-N51 PolarHBondContact O-OD1 3.39Å; S48-N51 PolarHBondContact OG-OD1 3.41Å; N51-F70 WeakPolarHBondContact O-CD2 3.27Å; N51-F70 PolarHBondContact O-N 3.01Å
52V95.4Very high89.6Confident12 Ų1255.1 Ų55.17%0.07333%0.334CS..EExtended strand (participates in β ladder)trans-114.6136.7172178.80000110.1M24 L27 I47 S48 L67 A68 L69 W87M24-V52 HydrophobicContact SD-CB 4.26Å; M24-V52 HydrophobicContact SD-CG1 3.48Å; M24-V52 WeakPolarHBondContact SD-CG1 3.32Å; L27-V52 HydrophobicContact CD2-CB 4.11Å; L27-V52 HydrophobicContact CD2-CG1 4.32Å; L27-V52 HydrophobicContact CD2-CG2 3.94Å; I47-V52 HydrophobicContact CG2-CG2 3.55Å; S48-V52 WeakPolarHBondContact O-CB 3.4Å; S48-V52 WeakPolarHBondContact O-CG2 3.47Å; S48-V52 PolarHBondContact O-N 2.74Å; S48-V52 VanDerWaalsContact O-N 3.08Å; V52-L67 HydrophobicContact CG1-CD1 3.76Å; V52-L67 HydrophobicContact CG1-CD2 3.66Å; V52-L67 HydrophobicContact CG1-CG 3.59Å; V52-A68 WeakPolarHBondContact CA-O 3.41Å; V52-L69 HydrophobicContact CG2-CD1 3.76Å; V52-W87 HydrophobicContact CG1-CH2 4.03Å; V52-W87 HydrophobicContact CG1-CZ2 4.19Å; V52-W87 HydrophobicContact CG2-CH2 4.32Å; V52-W87 HydrophobicContact CG2-CZ2 4.13Å
53G94.8Very high90Very high19 Ų1951.8 Ų51.820%0.19632%0.319CS..EExtended strand (participates in β ladder)trans-163.1154.8177.100000114.1A68G53-A68 PolarHBondContact N-O 2.95Å; G53-A68 PolarHBondContact O-N 3.38Å
54F94.8Very high90.3Very high63 Ų6349.7 Ų49.728%0.27631%0.308SS..EExtended strand (participates in β ladder)trans-75.2137.8176.1-73.4-84.3000111.6A20 E21 M24 K65 I66 L67A20-F54 HydrophobicContact CB-CE1 3.7Å; A20-F54 HydrophobicContact CB-CZ 4.18Å; E21-F54 HydrophobicContact CG-CE1 4.3Å; E21-F54 HydrophobicContact CG-CZ 3.71Å; M24-F54 HydrophobicContact CB-CE2 4.3Å; M24-F54 HydrophobicContact CB-CZ 4.46Å; M24-F54 HydrophobicContact CG-CE2 3.83Å; M24-F54 HydrophobicContact CG-CZ 4.07Å; F54-K65 HydrophobicContact CB-CB 4.17Å; F54-K65 HydrophobicContact CB-CD 3.94Å; F54-K65 HydrophobicContact CD1-CB 3.84Å; F54-K65 HydrophobicContact CD1-CD 4.43Å; F54-K65 HydrophobicContact CG-CB 4.42Å; F54-K65 HydrophobicContact CG-CD 4.35Å; F54-I66 WeakPolarHBondContact CA-O 3.36Å; F54-L67 HydrophobicContact CD1-CD1 3.99Å; F54-L67 HydrophobicContact CD2-CD1 3.86Å; F54-L67 HydrophobicContact CE1-CD1 3.95Å; F54-L67 HydrophobicContact CE2-CD1 3.81Å; F54-L67 HydrophobicContact CG-CD1 3.95Å; F54-L67 HydrophobicContact CZ-CD1 3.85Å
55V93.9Very high90.4Very high21 Ų2148.7 Ų48.713%0.12730%0.296CS..EExtended strand (participates in β ladder)trans-125.3140.1172.8-62.30000110.8L57 K65 I66 A68 F70 Y117V55-L57 PolarHBondContact O-N 2.71Å; V55-K65 WeakPolarHBondContact O-CA 3.27Å; V55-I66 HydrophobicContact CG2-CD1 4.25Å; V55-I66 HydrophobicContact CG2-CG1 3.62Å; V55-I66 PolarHBondContact N-O 2.9Å; V55-I66 PolarHBondContact O-N 3.45Å; V55-A68 HydrophobicContact CG1-CB 4.15Å; V55-A68 HydrophobicContact CG2-CB 4.1Å; V55-F70 HydrophobicContact CG1-CZ 3.78Å; V55-Y117 HydrophobicContact CG2-CE1 4.36Å; V55-Y117 VanDerWaalsContact CG2-OH 3.31Å; V55-Y117 WeakPolarHBondContact CG2-OH 3.41Å
56P94.1Very high90.6Very high43 Ų4348.6 Ų48.628%0.27930%0.295SS..EExtended strand (participates in β ladder)trans-72.5125.318027.9-33.6000110.9Y58 G59 D61 Y117P56-Y58 VanDerWaalsContact C-N 3.28Å; P56-Y58 PolarHBondContact O-N 2.93Å; P56-G59 WeakPolarHBondContact CG-O 3.49Å; P56-G59 PolarHBondContact O-N 3.5Å; P56-D61 WeakPolarHBondContact CB-O 3.36Å; P56-Y117 VanDerWaalsContact O-CE2 3.3Å; P56-Y117 WeakPolarHBondContact O-CE2 3.5Å
57L94.2Very high90.8Very high4 Ų445.8 Ų45.82%0.02128%0.277CS..EExtended strand (participates in β ladder)trans-66.3-30.6-178178.463.6000112.2V55 Q64 I66 L110 V114 Y117V55-L57 PolarHBondContact O-N 2.71Å; L57-Q64 PolarHBondContact N-O 2.69Å; L57-I66 HydrophobicContact CB-CG2 4.43Å; L57-I66 HydrophobicContact CD1-CD1 3.96Å; L57-L110 HydrophobicContact CD2-CD1 3.81Å; L57-V114 HydrophobicContact CD1-CG2 4.07Å; L57-Y117 HydrophobicContact CD1-CD2 4.28Å; L57-Y117 HydrophobicContact CD1-CG 4.02Å; L57-Y117 WeakPolarHBondContact O-CD2 3.48Å
58Y92.6Very high90.9Very high17 Ų1745.7 Ų45.77%0.06728%0.277CS..EExtended strand (participates in β ladder)trans-112.315.3-179.4-55.5-40.5000113.6H13 P56 G60 R113 H139H13-Y58 PolarHBondContact NE2-OH 2.99Å; P56-Y58 VanDerWaalsContact C-N 3.28Å; P56-Y58 PolarHBondContact O-N 2.93Å; Y58-G60 PolarHBondContact O-N 2.77Å; Y58-R113 HydrophobicContact CE1-CB 4.22Å; Y58-R113 HydrophobicContact CE1-CG 4.27Å; Y58-H139 WeakPolarHBondContact CD1-O 3.45Å
59G84.4Confident91.2Very high21 Ų2144 Ų4422%0.21627%0.265CS..THydrogen-bonded Turntrans75.6-77.616900000115P56P56-G59 WeakPolarHBondContact CG-O 3.49Å; P56-G59 PolarHBondContact O-N 3.5Å
60G73.8Confident91.3Very high76 Ų7641.1 Ų41.178%0.78425%0.249SC*.THydrogen-bonded Turntrans-82.1-27.6-179.500000113.1Y58Y58-G60 PolarHBondContact O-N 2.77Å
61D81.6Confident91.4Very high55 Ų5536.4 Ų36.429%0.29422%0.216SC..EExtended strand (participates in β ladder)trans-80.3117.4168.1174.612.5000109.2P56 T63P56-D61 WeakPolarHBondContact CB-O 3.36Å; D61-T63 WeakPolarHBondContact OD1-CB 3.26Å; D61-T63 WeakPolarHBondContact OD1-CG2 3.48Å; D61-T63 PolarHBondContact OD1-N 2.82Å; D61-T63 PolarHBondContact OD1-OG1 3.22Å; D61-T63 PolarHBondContact OD2-OG1 3.25Å
62Q80.9Confident91Very high148 Ų14839.2 Ų39.269%0.69224%0.236SC*.EExtended strand (participates in β ladder)trans-992.1178.9-58.8-172.739.100112.9Q64 K65Q62-Q64 VanDerWaalsContact C-N 3.29Å; Q62-Q64 PolarHBondContact O-N 2.68Å; Q62-K65 WeakPolarHBondContact O-CE 3.48Å
63T86.9Confident90.6Very high105 Ų10545.9 Ų45.964%0.64427%0.266SS*.EExtended strand (participates in β ladder)trans-73.2-22.2-179.264.40000113.1D61D61-T63 WeakPolarHBondContact OD1-CB 3.26Å; D61-T63 WeakPolarHBondContact OD1-CG2 3.48Å; D61-T63 PolarHBondContact OD1-N 2.82Å; D61-T63 PolarHBondContact OD1-OG1 3.22Å; D61-T63 PolarHBondContact OD2-OG1 3.25Å
64Q91.8Very high90.2Very high48 Ų4847.7 Ų47.722%0.22427%0.271CS..EExtended strand (participates in β ladder)trans-125.9112.3-178.6-61.7-169.1-10.900110.9H13 E17 L57 Q62H13-Q64 HydrophobicContact CB-CG 4.28Å; H13-Q64 PolarHBondContact CD2-OE1 2.69Å; H13-Q64 PolarHBondContact CE1-OE1 2.81Å; H13-Q64 PolarHBondContact ND1-NE2 3.19Å; H13-Q64 PolarHBondContact ND1-OE1 3.15Å; H13-Q64 PolarHBondContact NE2-OE1 3.21Å; H13-Q64 VanDerWaalsContact NE2-OE1 3.11Å; E17-Q64 WeakPolarHBondContact OE2-CA 3.47Å; L57-Q64 PolarHBondContact N-O 2.69Å; Q62-Q64 VanDerWaalsContact C-N 3.29Å; Q62-Q64 PolarHBondContact O-N 2.68Å
65K93.3Very high89.8Confident66 Ų6648.9 Ų48.929%0.28729%0.287SS..EExtended strand (participates in β ladder)trans-118.1159.2-174.3-49.1-179.2-141.777.20110.9E17 F54 V55 Q62E17-K65 WeakPolarHBondContact OE1-CB 3.46Å; E17-K65 WeakPolarHBondContact OE1-CG 3.32Å; E17-K65 IonicContact OE1-NZ 2.77Å; E17-K65 PolarHBondContact OE1-NZ 3.32Å; E17-K65 PolarHBondContact OE2-N 3.14Å; F54-K65 HydrophobicContact CB-CB 4.17Å; F54-K65 HydrophobicContact CB-CD 3.94Å; F54-K65 HydrophobicContact CD1-CB 3.84Å; F54-K65 HydrophobicContact CD1-CD 4.43Å; F54-K65 HydrophobicContact CG-CB 4.42Å; F54-K65 HydrophobicContact CG-CD 4.35Å; V55-K65 WeakPolarHBondContact O-CA 3.27Å; Q62-K65 WeakPolarHBondContact O-CE 3.48Å
66I95.1Very high89.4Confident2 Ų254.2 Ų54.21%0.0132%0.315CS..EExtended strand (participates in β ladder)trans-132.3149.1170.264-168.6000108.5L16 F54 V55 L57 L81 Y117L16-I66 HydrophobicContact CD2-CG2 3.87Å; F54-I66 WeakPolarHBondContact CA-O 3.36Å; V55-I66 HydrophobicContact CG2-CD1 4.25Å; V55-I66 HydrophobicContact CG2-CG1 3.62Å; V55-I66 PolarHBondContact N-O 2.9Å; V55-I66 PolarHBondContact O-N 3.45Å; L57-I66 HydrophobicContact CB-CG2 4.43Å; L57-I66 HydrophobicContact CD1-CD1 3.96Å; I66-L81 HydrophobicContact CD1-CD1 3.78Å; I66-L81 HydrophobicContact CD1-CD2 4.35Å; I66-L81 HydrophobicContact CG1-CD2 4.49Å; I66-Y117 HydrophobicContact CD1-CD1 4.09Å; I66-Y117 HydrophobicContact CD1-CE1 4.07Å
67L96.7Very high89.3Confident0 Ų053.5 Ų53.50%031%0.309CS..EExtended strand (participates in β ladder)trans-83.8132.6179.5-157.369.1000110.9A20 Y23 M24 V52 F54 L81 Y82 W87A20-L67 HydrophobicContact CB-CB 3.92Å; Y23-L67 HydrophobicContact CD1-CD2 3.8Å; Y23-L67 HydrophobicContact CE1-CD2 4.44Å; M24-L67 HydrophobicContact CG-CD1 3.41Å; M24-L67 VanDerWaalsContact CG-CD1 3.41Å; M24-L67 HydrophobicContact CG-CD2 3.67Å; M24-L67 HydrophobicContact CG-CG 4.19Å; M24-L67 HydrophobicContact SD-CD1 3.86Å; M24-L67 HydrophobicContact SD-CD2 4.13Å; V52-L67 HydrophobicContact CG1-CD1 3.76Å; V52-L67 HydrophobicContact CG1-CD2 3.66Å; V52-L67 HydrophobicContact CG1-CG 3.59Å; F54-L67 HydrophobicContact CD1-CD1 3.99Å; F54-L67 HydrophobicContact CD2-CD1 3.86Å; F54-L67 HydrophobicContact CE1-CD1 3.95Å; F54-L67 HydrophobicContact CE2-CD1 3.81Å; F54-L67 HydrophobicContact CG-CD1 3.95Å; F54-L67 HydrophobicContact CZ-CD1 3.85Å; L67-L81 WeakPolarHBondContact O-CA 3.49Å; L67-Y82 PolarHBondContact O-N 3.46Å; L67-W87 HydrophobicContact CD2-CH2 3.91Å; L67-W87 HydrophobicContact CD2-CZ2 4.04Å; L67-W87 HydrophobicContact CG-CH2 4.03Å
68A97.1Very high89.3Confident0 Ų053.9 Ų53.90%031%0.313CS..EExtended strand (participates in β ladder)trans-119.6138.9178.200000111.2V52 G53 V55 F70 A78 L81V52-A68 WeakPolarHBondContact CA-O 3.41Å; G53-A68 PolarHBondContact N-O 2.95Å; G53-A68 PolarHBondContact O-N 3.38Å; V55-A68 HydrophobicContact CG1-CB 4.15Å; V55-A68 HydrophobicContact CG2-CB 4.1Å; A68-F70 HydrophobicContact CB-CE2 3.85Å; A68-F70 HydrophobicContact CB-CZ 3.91Å; A68-A78 HydrophobicContact CB-CB 3.99Å; A68-L81 HydrophobicContact CB-CD2 3.65Å
69L96.8Very high89.4Confident0 Ų054 Ų540%032%0.315CS..EExtended strand (participates in β ladder)trans-95.6130165.6178.669.5000107.9F38 I45 I47 V52 A78 V79 A80 W87F38-L69 HydrophobicContact CB-CD2 3.55Å; F38-L69 HydrophobicContact CD1-CD2 3.83Å; F38-L69 HydrophobicContact CG-CD2 3.79Å; I45-L69 HydrophobicContact CG2-CD1 4.34Å; I45-L69 HydrophobicContact CG2-CD2 4.23Å; I45-L69 HydrophobicContact CG2-CG 4.47Å; I47-L69 HydrophobicContact CG1-CD1 4.19Å; I47-L69 HydrophobicContact CG1-CD2 4.25Å; I47-L69 HydrophobicContact CG2-CD1 4.34Å; V52-L69 HydrophobicContact CG2-CD1 3.76Å; L69-A78 CarbonylContact O-C 3.57Å; L69-A78 WeakPolarHBondContact O-CA 2.91Å; L69-V79 HydrophobicContact CB-CG2 4.47Å; L69-V79 HydrophobicContact CD2-CG2 4.24Å; L69-V79 HydrophobicContact CG-CG2 4.08Å; L69-V79 WeakPolarHBondContact O-CG2 3.46Å; L69-V79 PolarHBondContact O-N 3.48Å; L69-A80 HydrophobicContact CB-CB 4.17Å; L69-A80 HydrophobicContact CD2-CB 4.31Å; L69-A80 PolarHBondContact N-O 2.87Å; L69-A80 PolarHBondContact O-N 3.09Å; L69-W87 HydrophobicContact CB-CE3 4.02Å; L69-W87 HydrophobicContact CB-CH2 3.84Å; L69-W87 HydrophobicContact CB-CZ2 4.48Å; L69-W87 HydrophobicContact CB-CZ3 3.58Å
70F95.3Very high90Very high33 Ų3353 Ų5315%0.14531%0.305CS..EExtended strand (participates in β ladder)trans-103.1153.3-177.1-64.5-89.6000112.1N51 V55 A68 S75 T77 A78N51-F70 WeakPolarHBondContact O-CD2 3.27Å; N51-F70 PolarHBondContact O-N 3.01Å; V55-F70 HydrophobicContact CG1-CZ 3.78Å; A68-F70 HydrophobicContact CB-CE2 3.85Å; A68-F70 HydrophobicContact CB-CZ 3.91Å; F70-S75 WeakPolarHBondContact CD1-O 3.48Å; F70-T77 WeakPolarHBondContact CA-O 3.28Å; F70-A78 HydrophobicContact CD1-CB 4.34Å; F70-A78 HydrophobicContact CE1-CB 4.23Å
71A91.8Very high91.1Very high13 Ų1349.4 Ų49.411%0.10727%0.268CS..EExtended strand (participates in β ladder)trans-65.213517600000110.8E73 D74 T77 V79A71-E73 PolarHBondContact O-N 2.79Å; A71-E73 VanDerWaalsContact O-N 3.15Å; A71-D74 CarbonylContact O-C 3.49Å; A71-D74 VanDerWaalsContact O-C 3.23Å; A71-D74 PolarHBondContact O-N 3.17Å; A71-D74 VanDerWaalsContact O-N 3.15Å; A71-T77 PolarHBondContact N-O 2.95Å; A71-V79 HydrophobicContact CB-CG1 3.81Å
72P86.3Confident91.8Very high78 Ų7847.8 Ų47.851%0.50626%0.258SS..THydrogen-bonded Turntrans-54.8-29.5171.9-26.935.6000113.8I45I45-P72 HydrophobicContact CG1-CG 4.38Å; I45-P72 HydrophobicContact CG2-CG 3.97Å
73E86.7Confident92.5Very high152 Ų15240.8 Ų40.871%0.7123%0.225SC*.THydrogen-bonded Turntrans-89.3-17.4-178.1-51.979.1-174.700113.9A71A71-E73 PolarHBondContact O-N 2.79Å; A71-E73 VanDerWaalsContact O-N 3.15Å
74D87Confident92.8Very high56 Ų5637 Ų3730%0.29920%0.204SC..EExtended strand (participates in β ladder)trans-151.395178.7176.29.1000110.1A71 L76 T77 K126A71-D74 CarbonylContact O-C 3.49Å; A71-D74 VanDerWaalsContact O-C 3.23Å; A71-D74 PolarHBondContact O-N 3.17Å; A71-D74 VanDerWaalsContact O-N 3.15Å; D74-L76 PolarHBondContact O-N 3.08Å; D74-L76 WeakPolarHBondContact OD1-CA 3.44Å; D74-L76 VanDerWaalsContact OD1-CB 3.31Å; D74-L76 WeakPolarHBondContact OD1-CB 3.36Å; D74-L76 PolarHBondContact OD1-N 3.1Å; D74-T77 PolarHBondContact O-N 2.78Å; D74-T77 WeakPolarHBondContact OD2-CB 3.36Å; D74-T77 PolarHBondContact OD2-OG1 3.28Å; D74-K126 IonicContact OD1-NZ 3.24Å; D74-K126 PolarHBondContact OD1-NZ 2.89Å; D74-K126 IonicContact OD2-NZ 2.59Å; D74-K126 PolarHBondContact OD2-NZ 3.29Å
75S85.6Confident92.9Very high89 Ų8940 Ų4062%0.62222%0.222SC*.EExtended strand (participates in β ladder)trans-62.2-4.8177.557.50000114.5F70F70-S75 WeakPolarHBondContact CD1-O 3.48Å
76L85.6Confident92.9Very high133 Ų13341.6 Ų41.670%0.69623%0.231SC*.EExtended strand (participates in β ladder)trans-101.3-0.1173-55.4176.5000112.9D74 K126D74-L76 PolarHBondContact O-N 3.08Å; D74-L76 WeakPolarHBondContact OD1-CA 3.44Å; D74-L76 VanDerWaalsContact OD1-CB 3.31Å; D74-L76 WeakPolarHBondContact OD1-CB 3.36Å; D74-L76 PolarHBondContact OD1-N 3.1Å; L76-K126 WeakPolarHBondContact O-CE 3.29Å; L76-K126 PolarHBondContact O-NZ 3.26Å
77T91.1Very high93Very high28 Ų2842.9 Ų42.917%0.17224%0.235CC..EExtended strand (participates in β ladder)trans-111.6110.1177.2-70.80000111.3F70 A71 D74 V79 K126F70-T77 WeakPolarHBondContact CA-O 3.28Å; A71-T77 PolarHBondContact N-O 2.95Å; D74-T77 PolarHBondContact O-N 2.78Å; D74-T77 WeakPolarHBondContact OD2-CB 3.36Å; D74-T77 PolarHBondContact OD2-OG1 3.28Å; T77-V79 HydrophobicContact CG2-CG1 4.46Å; T77-K126 VanDerWaalsContact OG1-CD 3.3Å; T77-K126 WeakPolarHBondContact OG1-CD 3.11Å; T77-K126 WeakPolarHBondContact OG1-CE 3.09Å; T77-K126 PolarHBondContact OG1-NZ 3.28Å
78A94.5Very high93Very high11 Ų1143.9 Ų43.99%0.09124%0.239CC..EExtended strand (participates in β ladder)trans-72.5131.817100000111.3A68 L69 F70 I122A68-A78 HydrophobicContact CB-CB 3.99Å; L69-A78 CarbonylContact O-C 3.57Å; L69-A78 WeakPolarHBondContact O-CA 2.91Å; F70-A78 HydrophobicContact CD1-CB 4.34Å; F70-A78 HydrophobicContact CE1-CB 4.23Å; A78-I122 HydrophobicContact CB-CD1 3.95Å
79V94.6Very high93Very high20 Ų2044.3 Ų44.312%0.12124%0.243CC..EExtended strand (participates in β ladder)trans-113.5-19.2-177.4-66.20000113.3L40 I45 L69 A71 T77 I90L40-V79 HydrophobicContact CD2-CB 4.05Å; I45-V79 HydrophobicContact CD1-CG2 3.82Å; L69-V79 HydrophobicContact CB-CG2 4.47Å; L69-V79 HydrophobicContact CD2-CG2 4.24Å; L69-V79 HydrophobicContact CG-CG2 4.08Å; L69-V79 WeakPolarHBondContact O-CG2 3.46Å; L69-V79 PolarHBondContact O-N 3.48Å; A71-V79 HydrophobicContact CB-CG1 3.81Å; T77-V79 HydrophobicContact CG2-CG1 4.46Å; V79-I90 WeakPolarHBondContact O-CG1 3.32Å; V79-I90 PolarHBondContact O-N 3.12Å
80A96.8Very high92.9Very high0 Ų044.8 Ų44.80%025%0.245CC..EExtended strand (participates in β ladder)trans-148.1159.316800000110.8F38 L69 W87 W88F38-A80 HydrophobicContact CD1-CB 4.14Å; F38-A80 HydrophobicContact CE1-CB 3.66Å; F38-A80 HydrophobicContact CE2-CB 4.16Å; F38-A80 HydrophobicContact CZ-CB 3.68Å; L69-A80 HydrophobicContact CB-CB 4.17Å; L69-A80 HydrophobicContact CD2-CB 4.31Å; L69-A80 PolarHBondContact N-O 2.87Å; L69-A80 PolarHBondContact O-N 3.09Å; A80-W87 HydrophobicContact CB-CE3 3.95Å; A80-W88 CarbonylContact C-O 3.58Å; A80-W88 WeakPolarHBondContact CA-O 3.33Å; A80-W88 VanDerWaalsContact CB-O 3.24Å; A80-W88 WeakPolarHBondContact CB-O 3.23Å
81L97.6Very high92.9Very high0 Ų046 Ų460%025%0.253CS..EExtended strand (participates in β ladder)trans-120.2144.3168.3-58.2179.8000109.4I66 L67 A68 L83 W87 W88 I90 I93 V114 V118I66-L81 HydrophobicContact CD1-CD1 3.78Å; I66-L81 HydrophobicContact CD1-CD2 4.35Å; I66-L81 HydrophobicContact CG1-CD2 4.49Å; L67-L81 WeakPolarHBondContact O-CA 3.49Å; A68-L81 HydrophobicContact CB-CD2 3.65Å; L81-L83 HydrophobicContact CB-CD1 4.09Å; L81-L83 HydrophobicContact CB-CD2 4.38Å; L81-L83 HydrophobicContact CB-CG 3.99Å; L81-W87 VanDerWaalsContact C-CE3 3.49Å; L81-W88 PolarHBondContact N-O 3.41Å; L81-W88 PolarHBondContact O-N 3.1Å; L81-I90 HydrophobicContact CG-CD1 4.41Å; L81-I93 HydrophobicContact CB-CD1 3.84Å; L81-I93 HydrophobicContact CD1-CD1 3.98Å; L81-I93 HydrophobicContact CG-CD1 3.9Å; L81-V114 HydrophobicContact CD1-CG1 4.15Å; L81-V118 HydrophobicContact CD1-CG2 3.66Å
82Y96.9Very high93.1Very high22 Ų2248 Ų489%0.08626%0.262CS..EExtended strand (participates in β ladder)trans-83.3118.3171.8-163.9-108000108.5S19 Y23 L67 D85 Q86 W87S19-Y82 WeakPolarHBondContact OG-CE1 3.16Å; Y23-Y82 HydrophobicContact CD1-CD2 4.49Å; Y23-Y82 HydrophobicContact CD1-CE2 4.37Å; Y23-Y82 HydrophobicContact CD2-CD2 4.48Å; Y23-Y82 HydrophobicContact CD2-CE1 4.42Å; Y23-Y82 AromaticContact CD2-CE2 3.63Å; Y23-Y82 HydrophobicContact CD2-CE2 3.63Å; Y23-Y82 AromaticContact CD2-CZ 3.59Å; Y23-Y82 WeakPolarHBondContact CD2-OH 3.39Å; Y23-Y82 AromaticContact CE2-CE2 3.98Å; Y23-Y82 HydrophobicContact CE2-CE2 3.98Å; Y23-Y82 HydrophobicContact CG-CD2 4.37Å; Y23-Y82 HydrophobicContact CG-CE1 4.08Å; Y23-Y82 AromaticContact CG-CE2 3.85Å; Y23-Y82 HydrophobicContact CG-CE2 3.85Å; Y23-Y82 AromaticContact CG-CZ 3.68Å; L67-Y82 PolarHBondContact O-N 3.46Å; Y82-D85 VanDerWaalsContact CZ-C 3.41Å; Y82-D85 VanDerWaalsContact OH-C 3.3Å; Y82-D85 WeakPolarHBondContact OH-CA 3.42Å; Y82-D85 PolarHBondContact OH-O 2.94Å; Y82-Q86 WeakPolarHBondContact CA-O 3.45Å; Y82-W87 AromaticContact CD2-CD2 3.87Å; Y82-W87 HydrophobicContact CD2-CD2 3.87Å; Y82-W87 AromaticContact CD2-CE2 3.82Å; Y82-W87 HydrophobicContact CD2-CE3 4.4Å; Y82-W87 HydrophobicContact CD2-CG 4.03Å; Y82-W87 HydrophobicContact CD2-CZ2 4.33Å; Y82-W87 AromaticContact CD2-NE1 3.91Å; Y82-W87 VanDerWaalsContact N-CZ3 3.33Å
83L96Very high93.6Very high0 Ų044.3 Ų44.30%024%0.238CC..  trans-146.6122.5-172.3-58.9170.7000109.6P4 L8 L16 L81 Q86 W88 I93 V114P4-L83 HydrophobicContact CB-CB 4.4Å; P4-L83 HydrophobicContact CB-CD1 3.79Å; P4-L83 HydrophobicContact CG-CD1 4.08Å; L8-L83 HydrophobicContact CD1-CB 4.28Å; L8-L83 HydrophobicContact CD1-CD2 4.15Å; L16-L83 HydrophobicContact CD1-CD2 4.13Å; L16-L83 HydrophobicContact CD2-CD2 4.21Å; L81-L83 HydrophobicContact CB-CD1 4.09Å; L81-L83 HydrophobicContact CB-CD2 4.38Å; L81-L83 HydrophobicContact CB-CG 3.99Å; L83-Q86 PolarHBondContact N-O 2.79Å; L83-W88 VanDerWaalsContact O-CD1 3.29Å; L83-W88 PolarHBondContact O-NE1 2.83Å; L83-I93 HydrophobicContact CD1-CD1 3.93Å; L83-I93 HydrophobicContact CD1-CG1 3.85Å; L83-I93 HydrophobicContact CD1-CG2 4.23Å; L83-V114 HydrophobicContact CD1-CG1 3.86Å; L83-V114 HydrophobicContact CD2-CG1 4.06Å; L83-V114 HydrophobicContact CD2-CG2 4.3Å
84A93.3Very high94.1Very high26 Ų2637.1 Ų37.122%0.21520%0.204CC..SBendtrans5161.5-17600000112M7 L8 Q86M7-A84 HydrophobicContact CE-CB 3.88Å; L8-A84 HydrophobicContact CD2-CB 4.31Å; A84-Q86 PolarHBondContact O-N 2.97Å; A84-Q86 VanDerWaalsContact O-N 3.09Å
85D92.9Very high94.6Very high112 Ų11237.1 Ų37.160%0.59920%0.202SC*.SBendtrans60.615.4175.4-43.6-50.4000115.7S19 Y82S19-D85 WeakPolarHBondContact CB-OD1 3.38Å; S19-D85 PolarHBondContact OG-OD1 3.11Å; Y82-D85 VanDerWaalsContact CZ-C 3.41Å; Y82-D85 VanDerWaalsContact OH-C 3.3Å; Y82-D85 WeakPolarHBondContact OH-CA 3.42Å; Y82-D85 PolarHBondContact OH-O 2.94Å
86Q94.1Very high95.1Very high99 Ų9933.2 Ų33.246%0.46317%0.174SC..SBendtrans-142.3148.4-174.1-64.3-176.55.100112.7Y82 L83 A84Y82-Q86 WeakPolarHBondContact CA-O 3.45Å; L83-Q86 PolarHBondContact N-O 2.79Å; A84-Q86 PolarHBondContact O-N 2.97Å; A84-Q86 VanDerWaalsContact O-N 3.09Å
87W96.4Very high95.6Very high28 Ų2829.9 Ų29.911%0.10616%0.162CC..EExtended strand (participates in β ladder)trans-79.8124.2171-76.5113.2000111.9Y23 F38 I47 V52 L67 L69 A80 L81 Y82Y23-W87 HydrophobicContact CD1-CZ2 4.31Å; Y23-W87 AromaticContact CE1-CE2 3.89Å; Y23-W87 AromaticContact CE1-CZ2 3.69Å; Y23-W87 HydrophobicContact CE1-CZ2 3.69Å; Y23-W87 AromaticContact CE1-NE1 3.56Å; Y23-W87 AromaticContact CZ-NE1 3.27Å; Y23-W87 VanDerWaalsContact CZ-NE1 3.27Å; Y23-W87 PolarHBondContact OH-NE1 2.78Å; F38-W87 HydrophobicContact CD2-CB 3.61Å; F38-W87 HydrophobicContact CD2-CG 4.35Å; F38-W87 HydrophobicContact CE2-CB 3.7Å; I47-W87 HydrophobicContact CG2-CZ2 4.28Å; V52-W87 HydrophobicContact CG1-CH2 4.03Å; V52-W87 HydrophobicContact CG1-CZ2 4.19Å; V52-W87 HydrophobicContact CG2-CH2 4.32Å; V52-W87 HydrophobicContact CG2-CZ2 4.13Å; L67-W87 HydrophobicContact CD2-CH2 3.91Å; L67-W87 HydrophobicContact CD2-CZ2 4.04Å; L67-W87 HydrophobicContact CG-CH2 4.03Å; L69-W87 HydrophobicContact CB-CE3 4.02Å; L69-W87 HydrophobicContact CB-CH2 3.84Å; L69-W87 HydrophobicContact CB-CZ2 4.48Å; L69-W87 HydrophobicContact CB-CZ3 3.58Å; A80-W87 HydrophobicContact CB-CE3 3.95Å; L81-W87 VanDerWaalsContact C-CE3 3.49Å; Y82-W87 AromaticContact CD2-CD2 3.87Å; Y82-W87 HydrophobicContact CD2-CD2 3.87Å; Y82-W87 AromaticContact CD2-CE2 3.82Å; Y82-W87 HydrophobicContact CD2-CE3 4.4Å; Y82-W87 HydrophobicContact CD2-CG 4.03Å; Y82-W87 HydrophobicContact CD2-CZ2 4.33Å; Y82-W87 AromaticContact CD2-NE1 3.91Å; Y82-W87 VanDerWaalsContact N-CZ3 3.33Å
88W96.9Very high95.8Very high22 Ų2230.9 Ų30.98%0.08317%0.168CC..EExtended strand (participates in β ladder)trans-119.3130.7180-67.889.5000112.9M1 A2 F3 P4 M7 A80 L81 L83 D92 I93M1-W88 HydrophobicContact CE-CH2 4.37Å; A2-W88 WeakPolarHBondContact O-CH2 3.29Å; F3-W88 HydrophobicContact CD1-CZ3 4.36Å; P4-W88 HydrophobicContact CG-CB 3.95Å; P4-W88 HydrophobicContact CG-CD2 3.35Å; P4-W88 HydrophobicContact CG-CE3 3.75Å; P4-W88 HydrophobicContact CG-CG 3.43Å; P4-W88 VanDerWaalsContact CG-CG 3.43Å; P4-W88 HydrophobicContact CG-CZ2 4.33Å; P4-W88 HydrophobicContact CG-CZ3 4.38Å; M7-W88 HydrophobicContact SD-CH2 4.48Å; M7-W88 HydrophobicContact SD-CZ2 3.95Å; A80-W88 CarbonylContact C-O 3.58Å; A80-W88 WeakPolarHBondContact CA-O 3.33Å; A80-W88 VanDerWaalsContact CB-O 3.24Å; A80-W88 WeakPolarHBondContact CB-O 3.23Å; L81-W88 PolarHBondContact N-O 3.41Å; L81-W88 PolarHBondContact O-N 3.1Å; L83-W88 VanDerWaalsContact O-CD1 3.29Å; L83-W88 PolarHBondContact O-NE1 2.83Å; W88-D92 HydrophobicContact CE3-CB 4.3Å; W88-I93 HydrophobicContact CB-CD1 4.09Å; W88-I93 HydrophobicContact CB-CG1 3.66Å; W88-I93 WeakPolarHBondContact O-CD1 3.5Å
89A96.1Very high95.7Very high9 Ų936.4 Ų36.47%0.07420%0.203CC..EExtended strand (participates in β ladder)trans-64.9145.2175.300000112F38 L40 D91 D92 I93F38-A89 HydrophobicContact CZ-CB 4.03Å; L40-A89 HydrophobicContact CD1-CB 3.76Å; A89-D91 VanDerWaalsContact C-N 3.27Å; A89-D91 PolarHBondContact O-N 2.81Å; A89-D92 HydrophobicContact CB-CB 4.5Å; A89-D92 PolarHBondContact O-N 3.23Å; A89-I93 WeakPolarHBondContact O-CG1 3.1Å; A89-I93 PolarHBondContact O-N 2.85Å
90I95.8Very high95.6Very high9 Ų939.5 Ų39.55%0.04623%0.225CC..Hα-helixtrans-50.2-43.5177.7-63.9-47.3000113.3V79 L81 D92 I93 V118 I122 I123V79-I90 WeakPolarHBondContact O-CG1 3.32Å; V79-I90 PolarHBondContact O-N 3.12Å; L81-I90 HydrophobicContact CG-CD1 4.41Å; I90-D92 VanDerWaalsContact C-N 3.31Å; I90-D92 PolarHBondContact O-N 3.28Å; I90-I93 HydrophobicContact CD1-CD1 4.25Å; I90-V118 HydrophobicContact CD1-CG1 4.45Å; I90-V118 HydrophobicContact CG2-CG1 3.75Å; I90-I122 HydrophobicContact CD1-CD1 3.54Å; I90-I122 HydrophobicContact CD1-CG2 4.3Å; I90-I122 HydrophobicContact CG1-CD1 4.49Å; I90-I122 HydrophobicContact CG1-CG2 4.14Å; I90-I122 HydrophobicContact CG2-CG2 4.09Å; I90-I123 HydrophobicContact CG2-CD1 4.06Å; I90-I123 HydrophobicContact CG2-CG1 3.78Å
91D94.4Very high95.5Very high60 Ų6040.2 Ų40.232%0.32123%0.228SC..Hα-helixtrans-73.4-17.5179.1-88.2-46.4000113.4A89 V94 K95 R186A89-D91 VanDerWaalsContact C-N 3.27Å; A89-D91 PolarHBondContact O-N 2.81Å; D91-V94 WeakPolarHBondContact O-CG2 3.08Å; D91-K95 VanDerWaalsContact C-NZ 3.31Å; D91-K95 WeakPolarHBondContact O-CE 3.37Å; D91-K95 WeakPolarHBondContact O-CG 3.36Å; D91-K95 PolarHBondContact O-NZ 2.94Å; D91-R186 IonicContact OD1-CZ 2.71Å; D91-R186 IonicContact OD1-NH1 3.15Å; D91-R186 IonicContact OD1-NH2 3.71Å; D91-R186 PolarHBondContact OD1-NH2 3.06Å
92D96.2Very high95.5Very high54 Ų5444.3 Ų44.329%0.28925%0.247SC..Hα-helixtrans-92-30.5175.8-72.2-52.5000112.8F3 W88 A89 I90 V94 K95F3-D92 HydrophobicContact CD1-CB 4.2Å; F3-D92 VanDerWaalsContact CD1-O 3.29Å; F3-D92 WeakPolarHBondContact CD1-O 3.35Å; F3-D92 HydrophobicContact CE1-CB 4.27Å; W88-D92 HydrophobicContact CE3-CB 4.3Å; A89-D92 HydrophobicContact CB-CB 4.5Å; A89-D92 PolarHBondContact O-N 3.23Å; I90-D92 VanDerWaalsContact C-N 3.31Å; I90-D92 PolarHBondContact O-N 3.28Å; D92-V94 PolarHBondContact O-N 3.2Å; D92-K95 WeakPolarHBondContact O-CB 3.44Å; D92-K95 PolarHBondContact O-N 3.37Å; D92-K95 IonicContact OD1-NZ 3.63Å; D92-K95 PolarHBondContact OD1-NZ 2.68Å
93I97.4Very high95.4Very high1 Ų144.2 Ų44.21%0.00525%0.253CS..Hα-helixtrans-58.2-38172.9-63.4161.7000110.8P4 L81 L83 W88 A89 I90 K95 V114 V115 V118P4-I93 HydrophobicContact CG-CG1 4.14Å; L81-I93 HydrophobicContact CB-CD1 3.84Å; L81-I93 HydrophobicContact CD1-CD1 3.98Å; L81-I93 HydrophobicContact CG-CD1 3.9Å; L83-I93 HydrophobicContact CD1-CD1 3.93Å; L83-I93 HydrophobicContact CD1-CG1 3.85Å; L83-I93 HydrophobicContact CD1-CG2 4.23Å; W88-I93 HydrophobicContact CB-CD1 4.09Å; W88-I93 HydrophobicContact CB-CG1 3.66Å; W88-I93 WeakPolarHBondContact O-CD1 3.5Å; A89-I93 WeakPolarHBondContact O-CG1 3.1Å; A89-I93 PolarHBondContact O-N 2.85Å; I90-I93 HydrophobicContact CD1-CD1 4.25Å; I93-K95 PolarHBondContact O-N 3.21Å; I93-V114 HydrophobicContact CG2-CG1 3.93Å; I93-V115 HydrophobicContact CG2-CG2 4.34Å; I93-V115 VanDerWaalsContact O-CG2 3.3Å; I93-V115 WeakPolarHBondContact O-CG2 3.26Å; I93-V118 HydrophobicContact CD1-CG2 4.38Å; I93-V118 HydrophobicContact CG2-CG2 3.93Å
94V97.3Very high95.5Very high0 Ų045.6 Ų45.60%026%0.26CS..THydrogen-bonded Turntrans-80.98177.9-59.20000114.7D91 D92 V115 V118 L119 I123 A154D91-V94 WeakPolarHBondContact O-CG2 3.08Å; D92-V94 PolarHBondContact O-N 3.2Å; V94-V115 HydrophobicContact CG1-CG1 4.42Å; V94-V118 HydrophobicContact CG1-CB 4.34Å; V94-V118 HydrophobicContact CG1-CG1 3.74Å; V94-L119 HydrophobicContact CG1-CD2 4.19Å; V94-L119 HydrophobicContact CG1-CG 4.24Å; V94-I123 HydrophobicContact CG1-CD1 3.7Å; V94-I123 HydrophobicContact CG2-CD1 4.3Å; V94-A154 HydrophobicContact CB-CB 4.31Å; V94-A154 PolarHBondContact O-N 3.48Å
95K97.2Very high95.7Very high57 Ų5747.9 Ų47.925%0.24827%0.265CS..BIsolated β-bridgetrans-101.9161.5174-64.8-178.3-170.291.20111.5F3 V5 D91 D92 I93 G152F3-K95 VanDerWaalsContact CB-O 3.23Å; F3-K95 WeakPolarHBondContact CB-O 3.39Å; F3-K95 HydrophobicContact CD1-CB 3.66Å; F3-K95 HydrophobicContact CD1-CD 4.49Å; F3-K95 HydrophobicContact CD2-CB 4.03Å; F3-K95 HydrophobicContact CE1-CB 3.64Å; F3-K95 HydrophobicContact CE1-CD 3.71Å; F3-K95 HydrophobicContact CE1-CG 4.29Å; F3-K95 HydrophobicContact CE2-CB 3.99Å; F3-K95 HydrophobicContact CG-CB 3.85Å; F3-K95 HydrophobicContact CZ-CB 3.79Å; F3-K95 HydrophobicContact CZ-CD 3.81Å; F3-K95 HydrophobicContact CZ-CG 4.47Å; V5-K95 WeakPolarHBondContact CG1-O 3.49Å; D91-K95 VanDerWaalsContact C-NZ 3.31Å; D91-K95 WeakPolarHBondContact O-CE 3.37Å; D91-K95 WeakPolarHBondContact O-CG 3.36Å; D91-K95 PolarHBondContact O-NZ 2.94Å; D92-K95 WeakPolarHBondContact O-CB 3.44Å; D92-K95 PolarHBondContact O-N 3.37Å; D92-K95 IonicContact OD1-NZ 3.63Å; D92-K95 PolarHBondContact OD1-NZ 2.68Å; I93-K95 PolarHBondContact O-N 3.21Å; K95-G152 CarbonylContact C-O 3.57Å; K95-G152 VanDerWaalsContact CA-O 3.26Å; K95-G152 WeakPolarHBondContact CA-O 3.2Å
96T96.9Very high95.9Very high7 Ų746.7 Ų46.74%0.04326%0.256CS..  trans-144.2142174.1178.30000110.1D6 V98 R101 W149 G152D6-T96 WeakPolarHBondContact OD1-CB 3.24Å; D6-T96 PolarHBondContact OD1-OG1 2.9Å; T96-V98 PolarHBondContact OG1-N 3.36Å; T96-R101 HydrophobicContact CG2-CB 4.18Å; T96-R101 HydrophobicContact CG2-CG 4.44Å; T96-R101 PolarHBondContact OG1-NH1 3.16Å; T96-W149 HydrophobicContact CG2-CD2 4.36Å; T96-W149 HydrophobicContact CG2-CE3 3.48Å; T96-W149 VanDerWaalsContact CG2-CE3 3.48Å; T96-W149 HydrophobicContact CG2-CH2 4.45Å; T96-W149 HydrophobicContact CG2-CZ3 3.53Å; T96-G152 PolarHBondContact N-O 2.97Å
97S95.5Very high96Very high62 Ų6242.3 Ų42.343%0.43424%0.236SC..SBendtrans-90.2-8.4176.166.40000112.7M1 D6 P99M1-S97 VanDerWaalsContact O-CB 3.31Å; M1-S97 WeakPolarHBondContact O-CB 3.31Å; D6-S97 WeakPolarHBondContact OD2-CB 3.19Å; D6-S97 PolarHBondContact OD2-N 3.3Å; D6-S97 PolarHBondContact OD2-OG 2.93Å; S97-P99 WeakPolarHBondContact O-CD 3.35Å
98V94.9Very high95.9Very high50 Ų5045.5 Ų45.530%0.30326%0.262SS..  trans-88.3107.6-172.7176.70000110.4D6 T96 S100 R101D6-V98 HydrophobicContact CB-CG2 4.29Å; T96-V98 PolarHBondContact OG1-N 3.36Å; V98-S100 VanDerWaalsContact CG1-OG 3.23Å; V98-S100 WeakPolarHBondContact CG1-OG 3.12Å; V98-S100 PolarHBondContact O-N 2.73Å; V98-S100 VanDerWaalsContact O-N 3.13Å; V98-R101 HydrophobicContact CB-CB 4.48Å; V98-R101 HydrophobicContact CG1-CB 4.45Å; V98-R101 WeakPolarHBondContact O-CB 3.17Å; V98-R101 PolarHBondContact O-N 2.88Å
99P92.5Very high95.8Very high126 Ų12645.4 Ų45.482%0.81827%0.265SS*.THydrogen-bonded Turntrans-71.6-10.6-171.929.8-36.7000114.3S97 R101S97-P99 WeakPolarHBondContact O-CD 3.35Å; P99-R101 VanDerWaalsContact C-N 3.34Å
100S93Very high95.7Very high86 Ų8645.6 Ų45.660%0.60126%0.264SS*.THydrogen-bonded Turntrans-81.8-12.2172.258.60000113.1V98 E102 K105V98-S100 VanDerWaalsContact CG1-OG 3.23Å; V98-S100 WeakPolarHBondContact CG1-OG 3.12Å; V98-S100 PolarHBondContact O-N 2.73Å; V98-S100 VanDerWaalsContact O-N 3.13Å; S100-E102 VanDerWaalsContact C-N 3.28Å; S100-E102 PolarHBondContact O-N 2.87Å; S100-K105 WeakPolarHBondContact O-CE 3.06Å; S100-K105 PolarHBondContact O-NZ 3.44Å
101R94.6Very high95.7Very high15 Ų1545.2 Ų45.26%0.05726%0.263CS..  trans-88.664.5174.1-161.5-179.5-76.3135.1-14.8110V5 D6 E9 T96 V98 P99 K105 E112 W149V5-R101 PolarHBondContact O-NH1 2.73Å; V5-R101 PolarHBondContact O-NH2 2.81Å; D6-R101 IonicContact OD1-NH1 2.91Å; D6-R101 PolarHBondContact OD1-NH1 2.99Å; E9-R101 IonicContact OE1-NH2 2.77Å; T96-R101 HydrophobicContact CG2-CB 4.18Å; T96-R101 HydrophobicContact CG2-CG 4.44Å; T96-R101 PolarHBondContact OG1-NH1 3.16Å; V98-R101 HydrophobicContact CB-CB 4.48Å; V98-R101 HydrophobicContact CG1-CB 4.45Å; V98-R101 WeakPolarHBondContact O-CB 3.17Å; V98-R101 PolarHBondContact O-N 2.88Å; P99-R101 VanDerWaalsContact C-N 3.34Å; R101-K105 HydrophobicContact CG-CG 4.38Å; R101-E112 IonicContact NE-OE1 3.07Å; R101-W149 HydrophobicContact CG-CD2 3.84Å; R101-W149 HydrophobicContact CG-CE3 4.49Å; R101-W149 HydrophobicContact CG-CG 3.9Å; R101-W149 HydrophobicContact CG-CZ2 4.43Å; R101-W149 WeakPolarHBondContact O-CB 3.43Å
102E96.3Very high95.9Very high85 Ų8542.9 Ų42.940%0.39725%0.25SC..  trans-122148175.7-179.272.8-172.100109.4S100 K105 K150 K151S100-E102 VanDerWaalsContact C-N 3.28Å; S100-E102 PolarHBondContact O-N 2.87Å; E102-K105 WeakPolarHBondContact O-CE 3.41Å; E102-K150 VanDerWaalsContact OE2-CA 3.27Å; E102-K150 WeakPolarHBondContact OE2-CA 3.13Å; E102-K151 PolarHBondContact OE2-N 2.82Å
103G96.6Very high95.9Very high20 Ų2041.6 Ų41.621%0.20624%0.241CC..EExtended strand (participates in β ladder)trans81.8-162.8-17900000113.4W149G103-W149 PolarHBondContact N-O 2.84Å; G103-W149 PolarHBondContact O-N 3.13Å
104L97.3Very high95.9Very high29 Ų2941.6 Ų41.615%0.15224%0.241CC..EExtended strand (participates in β ladder)trans-80121.6178-78.6158.7000110.4K146 I147 L148 Y158 M198 D201L104-K146 HydrophobicContact CB-CD 4.29Å; L104-K146 HydrophobicContact CD2-CB 4.13Å; L104-I147 WeakPolarHBondContact CA-O 3.27Å; L104-L148 HydrophobicContact CD2-CB 3.77Å; L104-L148 HydrophobicContact CD2-CD1 4.33Å; L104-L148 HydrophobicContact CG-CB 4.33Å; L104-L148 HydrophobicContact CG-CD1 3.93Å; L104-Y158 HydrophobicContact CD2-CD1 4.12Å; L104-Y158 HydrophobicContact CD2-CE1 4.04Å; L104-M198 HydrophobicContact CD1-CG 4.2Å; L104-M198 HydrophobicContact CD2-CG 4.18Å; L104-D201 HydrophobicContact CD1-CB 3.54Å; L104-D201 WeakPolarHBondContact CD1-OD2 3.47Å
105K97.1Very high95.9Very high75 Ų7541.6 Ų41.633%0.32624%0.241SC..EExtended strand (participates in β ladder)trans-124.7130.1-179.2-61.3-68.9-178.9156.80109.2S100 R101 E102 K146 I147S100-K105 WeakPolarHBondContact O-CE 3.06Å; S100-K105 PolarHBondContact O-NZ 3.44Å; R101-K105 HydrophobicContact CG-CG 4.38Å; E102-K105 WeakPolarHBondContact O-CE 3.41Å; K105-K146 CarbonylContact O-C 3.54Å; K105-K146 WeakPolarHBondContact O-CA 3.42Å; K105-K146 WeakPolarHBondContact O-CB 3.24Å; K105-I147 PolarHBondContact N-O 2.66Å; K105-I147 PolarHBondContact O-N 2.78Å
106Q97.1Very high95.9Very high87 Ų8739 Ų3941%0.40723%0.23SC..EExtended strand (participates in β ladder)trans-70.3131.7175.5-176.5-178.8-40.600110S108 Y144 A145 K146Q106-S108 PolarHBondContact O-N 2.94Å; Q106-Y144 HydrophobicContact CG-CE2 4.05Å; Q106-Y144 PolarHBondContact OE1-OH 2.79Å; Q106-Y144 VanDerWaalsContact OE1-OH 3.07Å; Q106-A145 WeakPolarHBondContact CA-O 3.18Å; Q106-K146 HydrophobicContact CB-CG 4.25Å
107V97Very high95.9Very high7 Ų739.7 Ų39.74%0.04223%0.231CC..  trans-64.9124.9177.5176.10000109.2E112 R113 L116 A145 I147V107-E112 HydrophobicContact CB-CB 4.42Å; V107-E112 HydrophobicContact CG1-CB 3.9Å; V107-E112 HydrophobicContact CG2-CB 4.49Å; V107-R113 HydrophobicContact CG1-CG 3.87Å; V107-L116 HydrophobicContact CG2-CD2 4.38Å; V107-A145 HydrophobicContact CB-CB 4.38Å; V107-A145 HydrophobicContact CG2-CB 4.01Å; V107-A145 PolarHBondContact N-O 2.77Å; V107-I147 HydrophobicContact CG2-CD1 3.72Å; V107-I147 HydrophobicContact CG2-CG1 3.76Å
108S93.4Very high96Very high94 Ų9436.7 Ų36.766%0.65721%0.211SC*.  trans-141.6-33.5-171.660.70000113.9Q106 E112Q106-S108 PolarHBondContact O-N 2.94Å; S108-E112 PolarHBondContact N-OE2 2.91Å; S108-E112 PolarHBondContact OG-OE2 2.83Å
109T94.4Very high96.1Very high21 Ų2134.3 Ų34.313%0.12920%0.196CC..SBendtrans-100.6165.3-178.6730000112.8E9 G111 E112 R113E9-T109 HydrophobicContact CG-CG2 4.1Å; T109-G111 VanDerWaalsContact C-N 3.34Å; T109-G111 PolarHBondContact OG1-N 3.28Å; T109-E112 PolarHBondContact N-OE2 3.26Å; T109-E112 PolarHBondContact O-N 3.22Å; T109-E112 WeakPolarHBondContact OG1-CG 3.5Å; T109-E112 PolarHBondContact OG1-N 3.22Å; T109-E112 VanDerWaalsContact OG1-N 3.09Å; T109-R113 PolarHBondContact O-N 2.59Å
110L95.2Very high96.3Very high13 Ų1328.3 Ų28.37%0.06816%0.157CC..Hα-helixtrans-58.9-45.5171176.546.6000111.1C11 S12 H13 L16 L57 E112 R113 V114C11-L110 WeakPolarHBondContact O-CD2 3.5Å; S12-L110 WeakPolarHBondContact O-CD2 3.48Å; H13-L110 WeakPolarHBondContact NE2-CD1 3.41Å; L16-L110 HydrophobicContact CB-CD2 4.38Å; L16-L110 HydrophobicContact CD2-CD1 4.36Å; L16-L110 HydrophobicContact CD2-CD2 3.96Å; L16-L110 HydrophobicContact CD2-CG 4.35Å; L57-L110 HydrophobicContact CD2-CD1 3.81Å; L110-E112 VanDerWaalsContact C-N 3.29Å; L110-E112 PolarHBondContact O-N 2.97Å; L110-R113 WeakPolarHBondContact O-CB 3.41Å; L110-R113 PolarHBondContact O-N 3.2Å; L110-V114 HydrophobicContact CD1-CG2 4.11Å; L110-V114 WeakPolarHBondContact O-CG2 3.15Å; L110-V114 PolarHBondContact O-N 3.07Å
111G96.1Very high96.3Very high1 Ų127.4 Ų27.41%0.0114%0.141CC..Hα-helixtrans-54.1-43.2173.800000113.4L8 T109 V114 V115L8-G111 PolarHBondContact O-N 3.09Å; T109-G111 VanDerWaalsContact C-N 3.34Å; T109-G111 PolarHBondContact OG1-N 3.28Å; G111-V114 PolarHBondContact O-N 3.28Å; G111-V115 WeakPolarHBondContact O-CG2 3.38Å; G111-V115 PolarHBondContact O-N 3.16Å
112E96.8Very high96.3Very high11 Ų1127.1 Ų27.15%0.05114%0.14CC..Hα-helixtrans-69.9-33.1177.2-68.9177.7147.100112.6V5 R101 V107 S108 T109 L110 V115 L116 I147V5-E112 HydrophobicContact CG2-CG 3.99Å; R101-E112 IonicContact NE-OE1 3.07Å; V107-E112 HydrophobicContact CB-CB 4.42Å; V107-E112 HydrophobicContact CG1-CB 3.9Å; V107-E112 HydrophobicContact CG2-CB 4.49Å; S108-E112 PolarHBondContact N-OE2 2.91Å; S108-E112 PolarHBondContact OG-OE2 2.83Å; T109-E112 PolarHBondContact N-OE2 3.26Å; T109-E112 PolarHBondContact O-N 3.22Å; T109-E112 WeakPolarHBondContact OG1-CG 3.5Å; T109-E112 PolarHBondContact OG1-N 3.22Å; T109-E112 VanDerWaalsContact OG1-N 3.09Å; L110-E112 VanDerWaalsContact C-N 3.29Å; L110-E112 PolarHBondContact O-N 2.97Å; E112-V115 PolarHBondContact O-N 3.19Å; E112-L116 WeakPolarHBondContact O-CB 3.23Å; E112-L116 PolarHBondContact O-N 2.62Å; E112-I147 HydrophobicContact CB-CD1 4.33Å; E112-I147 WeakPolarHBondContact O-CD1 3.36Å
113R96.6Very high96.3Very high27 Ų2723 Ų2310%0.10212%0.121CC..Hα-helixtrans-65-41.2171.4-73.4-70.8-176.7-148.41111.9Y58 V107 T109 L110 L116 Y117 S141 D143Y58-R113 HydrophobicContact CE1-CB 4.22Å; Y58-R113 HydrophobicContact CE1-CG 4.27Å; V107-R113 HydrophobicContact CG1-CG 3.87Å; T109-R113 PolarHBondContact O-N 2.59Å; L110-R113 WeakPolarHBondContact O-CB 3.41Å; L110-R113 PolarHBondContact O-N 3.2Å; R113-L116 PolarHBondContact O-N 2.66Å; R113-Y117 PolarHBondContact O-N 3.31Å; R113-S141 VanDerWaalsContact CZ-O 3.24Å; R113-S141 PolarHBondContact NE-O 2.89Å; R113-S141 VanDerWaalsContact NE-O 3.14Å; R113-S141 PolarHBondContact NH2-O 2.75Å; R113-D143 VanDerWaalsContact CZ-O 3.31Å; R113-D143 PolarHBondContact NH1-O 2.75Å; R113-D143 PolarHBondContact NH2-O 2.77Å
114V97.2Very high96.2Very high1 Ų122.2 Ų22.21%0.00611%0.112CC..Hα-helixtrans-64.1-41.9174.3175.90000111.1L8 L57 L81 L83 I93 L110 G111 L116 Y117 V118L8-V114 HydrophobicContact CD1-CG2 4.44Å; L57-V114 HydrophobicContact CD1-CG2 4.07Å; L81-V114 HydrophobicContact CD1-CG1 4.15Å; L83-V114 HydrophobicContact CD1-CG1 3.86Å; L83-V114 HydrophobicContact CD2-CG1 4.06Å; L83-V114 HydrophobicContact CD2-CG2 4.3Å; I93-V114 HydrophobicContact CG2-CG1 3.93Å; L110-V114 HydrophobicContact CD1-CG2 4.11Å; L110-V114 WeakPolarHBondContact O-CG2 3.15Å; L110-V114 PolarHBondContact O-N 3.07Å; G111-V114 PolarHBondContact O-N 3.28Å; V114-L116 PolarHBondContact O-N 2.9Å; V114-Y117 WeakPolarHBondContact O-CB 3.43Å; V114-Y117 PolarHBondContact O-N 2.98Å; V114-V118 HydrophobicContact CG1-CG2 4.41Å; V114-V118 WeakPolarHBondContact O-CG2 3.3Å; V114-V118 PolarHBondContact O-N 2.77Å
115V97.9Very high95.9Very high0 Ų026.3 Ų26.30%013%0.125CC..Hα-helixtrans-63.4-41.5175.3173.80000111.8V5 I93 V94 G111 E112 V118 L119 I147 W149 A154V5-V115 HydrophobicContact CB-CG2 3.86Å; V5-V115 HydrophobicContact CG1-CG2 4.48Å; V5-V115 HydrophobicContact CG2-CG2 3.96Å; I93-V115 HydrophobicContact CG2-CG2 4.34Å; I93-V115 VanDerWaalsContact O-CG2 3.3Å; I93-V115 WeakPolarHBondContact O-CG2 3.26Å; V94-V115 HydrophobicContact CG1-CG1 4.42Å; G111-V115 WeakPolarHBondContact O-CG2 3.38Å; G111-V115 PolarHBondContact O-N 3.16Å; E112-V115 PolarHBondContact O-N 3.19Å; V115-V118 PolarHBondContact O-N 2.75Å; V115-L119 HydrophobicContact CG1-CD1 3.87Å; V115-L119 HydrophobicContact CG1-CG 4.36Å; V115-L119 WeakPolarHBondContact O-CB 3.31Å; V115-L119 VanDerWaalsContact O-CG 3.28Å; V115-L119 WeakPolarHBondContact O-CG 3.33Å; V115-L119 PolarHBondContact O-N 3.27Å; V115-I147 HydrophobicContact CB-CD1 4.02Å; V115-I147 HydrophobicContact CG1-CD1 3.81Å; V115-I147 HydrophobicContact CG1-CG2 4.49Å; V115-W149 HydrophobicContact CG1-CH2 3.94Å; V115-W149 HydrophobicContact CG1-CZ2 4.09Å; V115-W149 HydrophobicContact CG2-CH2 4.12Å; V115-A154 HydrophobicContact CG1-CB 3.77Å
116L97.8Very high95.6Very high3 Ų327 Ų272%0.01613%0.128CC..Hα-helixtrans-60.8-44.6174.3-178.266.7000111.4V107 E112 R113 V114 N120 H139 A145 I147 F157V107-L116 HydrophobicContact CG2-CD2 4.38Å; E112-L116 WeakPolarHBondContact O-CB 3.23Å; E112-L116 PolarHBondContact O-N 2.62Å; R113-L116 PolarHBondContact O-N 2.66Å; V114-L116 PolarHBondContact O-N 2.9Å; L116-N120 VanDerWaalsContact O-CB 3.31Å; L116-N120 WeakPolarHBondContact O-CB 3.46Å; L116-N120 PolarHBondContact O-N 2.85Å; L116-H139 HydrophobicContact CD2-CB 3.83Å; L116-A145 HydrophobicContact CD1-CB 4.18Å; L116-A145 HydrophobicContact CD2-CB 3.7Å; L116-I147 HydrophobicContact CB-CD1 4.42Å; L116-F157 HydrophobicContact CD1-CB 3.77Å; L116-F157 HydrophobicContact CD1-CD1 4.11Å; L116-F157 HydrophobicContact CD1-CD2 3.66Å; L116-F157 HydrophobicContact CD1-CE2 4.3Å; L116-F157 HydrophobicContact CD1-CG 3.57Å
117Y96.8Very high95.3Very high20 Ų2027.6 Ų27.68%0.07813%0.131CC..Hα-helixtrans-58.8-50.4174.4177.4-91.3000111.7V55 P56 L57 I66 R113 V114 L119 N120 R121 I122V55-Y117 HydrophobicContact CG2-CE1 4.36Å; V55-Y117 VanDerWaalsContact CG2-OH 3.31Å; V55-Y117 WeakPolarHBondContact CG2-OH 3.41Å; P56-Y117 VanDerWaalsContact O-CE2 3.3Å; P56-Y117 WeakPolarHBondContact O-CE2 3.5Å; L57-Y117 HydrophobicContact CD1-CD2 4.28Å; L57-Y117 HydrophobicContact CD1-CG 4.02Å; L57-Y117 WeakPolarHBondContact O-CD2 3.48Å; I66-Y117 HydrophobicContact CD1-CD1 4.09Å; I66-Y117 HydrophobicContact CD1-CE1 4.07Å; R113-Y117 PolarHBondContact O-N 3.31Å; V114-Y117 WeakPolarHBondContact O-CB 3.43Å; V114-Y117 PolarHBondContact O-N 2.98Å; Y117-L119 PolarHBondContact O-N 2.81Å; Y117-N120 PolarHBondContact O-N 3.03Å; Y117-R121 HydrophobicContact CD1-CB 4.39Å; Y117-R121 HydrophobicContact CD2-CB 4.12Å; Y117-R121 HydrophobicContact CD2-CG 4.49Å; Y117-R121 HydrophobicContact CE1-CB 4.14Å; Y117-R121 HydrophobicContact CE2-CB 3.91Å; Y117-R121 HydrophobicContact CE2-CG 3.88Å; Y117-R121 HydrophobicContact CG-CB 4.38Å; Y117-R121 VanDerWaalsContact O-CB 3.28Å; Y117-R121 WeakPolarHBondContact O-CB 3.4Å; Y117-R121 PolarHBondContact O-N 2.84Å; Y117-I122 HydrophobicContact CE1-CD1 4.32Å
118V97.6Very high95.2Very high0 Ų028.1 Ų28.10%013%0.133CC..Iπ-helixtrans-62.3-43.6-179.2170.90000111.7L81 I90 I93 V94 V114 V115 N120 I122 I123L81-V118 HydrophobicContact CD1-CG2 3.66Å; I90-V118 HydrophobicContact CD1-CG1 4.45Å; I90-V118 HydrophobicContact CG2-CG1 3.75Å; I93-V118 HydrophobicContact CD1-CG2 4.38Å; I93-V118 HydrophobicContact CG2-CG2 3.93Å; V94-V118 HydrophobicContact CG1-CB 4.34Å; V94-V118 HydrophobicContact CG1-CG1 3.74Å; V114-V118 HydrophobicContact CG1-CG2 4.41Å; V114-V118 WeakPolarHBondContact O-CG2 3.3Å; V114-V118 PolarHBondContact O-N 2.77Å; V115-V118 PolarHBondContact O-N 2.75Å; V118-N120 VanDerWaalsContact C-N 3.34Å; V118-N120 PolarHBondContact O-N 3.13Å; V118-I122 HydrophobicContact CG2-CD1 4.3Å; V118-I122 WeakPolarHBondContact O-CB 3.44Å; V118-I122 PolarHBondContact O-N 2.77Å; V118-I123 HydrophobicContact CG1-CD1 3.95Å; V118-I123 HydrophobicContact CG1-CG1 4.25Å; V118-I123 PolarHBondContact O-N 3.08Å
119L97.6Very high95.1Very high0 Ų026.3 Ų26.30%012%0.115CC..Iπ-helixtrans-61.8-40.4176.9-72.8166.2000112.4V94 V115 Y117 I123 Y124 I147 A154 F157 F184V94-L119 HydrophobicContact CG1-CD2 4.19Å; V94-L119 HydrophobicContact CG1-CG 4.24Å; V115-L119 HydrophobicContact CG1-CD1 3.87Å; V115-L119 HydrophobicContact CG1-CG 4.36Å; V115-L119 WeakPolarHBondContact O-CB 3.31Å; V115-L119 VanDerWaalsContact O-CG 3.28Å; V115-L119 WeakPolarHBondContact O-CG 3.33Å; V115-L119 PolarHBondContact O-N 3.27Å; Y117-L119 PolarHBondContact O-N 2.81Å; L119-I123 HydrophobicContact CD2-CD1 4.2Å; L119-Y124 WeakPolarHBondContact O-CB 3.28Å; L119-Y124 PolarHBondContact O-N 2.66Å; L119-I147 HydrophobicContact CD1-CG2 4.22Å; L119-A154 HydrophobicContact CD1-CB 3.96Å; L119-F157 HydrophobicContact CB-CD1 3.57Å; L119-F157 HydrophobicContact CB-CE1 3.68Å; L119-F157 HydrophobicContact CD1-CD1 4.02Å; L119-F157 HydrophobicContact CG-CD1 4.41Å; L119-F184 HydrophobicContact CD2-CE1 4.42Å
120N95.8Very high94.7Very high0 Ų029 Ų290%013%0.126CC..Iπ-helixtrans-81.4-59.5-177.5-1784.7000112.2L116 Y117 V118 Y124 R125 L137 H139 F157L116-N120 VanDerWaalsContact O-CB 3.31Å; L116-N120 WeakPolarHBondContact O-CB 3.46Å; L116-N120 PolarHBondContact O-N 2.85Å; Y117-N120 PolarHBondContact O-N 3.03Å; V118-N120 VanDerWaalsContact C-N 3.34Å; V118-N120 PolarHBondContact O-N 3.13Å; N120-Y124 WeakPolarHBondContact O-CB 3.29Å; N120-R125 PolarHBondContact O-N 2.78Å; N120-R125 VanDerWaalsContact O-N 3.1Å; N120-L137 PolarHBondContact ND2-O 3.18Å; N120-H139 PolarHBondContact ND2-CE1 2.92Å; N120-H139 PolarHBondContact ND2-ND1 2.88Å; N120-H139 VanDerWaalsContact ND2-ND1 3.17Å; N120-F157 HydrophobicContact CB-CE1 3.93Å; N120-F157 HydrophobicContact CB-CZ 3.67Å
121R93.7Very high94.2Very high67 Ų6740.1 Ų40.125%0.25317%0.167SC..Iπ-helixtrans-80.9-23-166.2-143.270.8179.8149.5-3.5114.1Y117 R125 F136Y117-R121 HydrophobicContact CD1-CB 4.39Å; Y117-R121 HydrophobicContact CD2-CB 4.12Å; Y117-R121 HydrophobicContact CD2-CG 4.49Å; Y117-R121 HydrophobicContact CE1-CB 4.14Å; Y117-R121 HydrophobicContact CE2-CB 3.91Å; Y117-R121 HydrophobicContact CE2-CG 3.88Å; Y117-R121 HydrophobicContact CG-CB 4.38Å; Y117-R121 VanDerWaalsContact O-CB 3.28Å; Y117-R121 WeakPolarHBondContact O-CB 3.4Å; Y117-R121 PolarHBondContact O-N 2.84Å; R121-R125 WeakPolarHBondContact O-CB 3.39Å; R121-F136 PolarHBondContact NH1-O 3.28Å
122I94.4Very high93.6Very high8 Ų848 Ų484%0.04121%0.209CC..Iπ-helixtrans-114.7-67.6-177.4-52.7176.4000110A78 I90 Y117 V118 K126A78-I122 HydrophobicContact CB-CD1 3.95Å; I90-I122 HydrophobicContact CD1-CD1 3.54Å; I90-I122 HydrophobicContact CD1-CG2 4.3Å; I90-I122 HydrophobicContact CG1-CD1 4.49Å; I90-I122 HydrophobicContact CG1-CG2 4.14Å; I90-I122 HydrophobicContact CG2-CG2 4.09Å; Y117-I122 HydrophobicContact CE1-CD1 4.32Å; V118-I122 HydrophobicContact CG2-CD1 4.3Å; V118-I122 WeakPolarHBondContact O-CB 3.44Å; V118-I122 PolarHBondContact O-N 2.77Å; I122-K126 WeakPolarHBondContact O-CB 3.46Å; I122-K126 PolarHBondContact O-N 2.95Å
123I95.6Very high93.1Very high0 Ų049.9 Ų49.90%022%0.218CC..Iπ-helixtrans-63.2-54.5-173.2-64.2172.2000111.1I90 V94 V118 L119 Q127 E128 F184 R186I90-I123 HydrophobicContact CG2-CD1 4.06Å; I90-I123 HydrophobicContact CG2-CG1 3.78Å; V94-I123 HydrophobicContact CG1-CD1 3.7Å; V94-I123 HydrophobicContact CG2-CD1 4.3Å; V118-I123 HydrophobicContact CG1-CD1 3.95Å; V118-I123 HydrophobicContact CG1-CG1 4.25Å; V118-I123 PolarHBondContact O-N 3.08Å; L119-I123 HydrophobicContact CD2-CD1 4.2Å; I123-Q127 CarbonylContact O-C 3.5Å; I123-Q127 WeakPolarHBondContact O-CA 3.42Å; I123-Q127 VanDerWaalsContact O-CB 3.24Å; I123-Q127 WeakPolarHBondContact O-CB 3.3Å; I123-Q127 PolarHBondContact O-N 2.85Å; I123-Q127 VanDerWaalsContact O-N 3.1Å; I123-E128 HydrophobicContact CG2-CG 4.2Å; I123-E128 WeakPolarHBondContact CG2-OE1 3.37Å; I123-E128 PolarHBondContact O-N 2.88Å; I123-F184 HydrophobicContact CG2-CE1 4.36Å; I123-F184 HydrophobicContact CG2-CZ 4.23Å; I123-R186 HydrophobicContact CG2-CG 4.2Å
124Y94.8Very high92.5Very high2 Ų255.1 Ų55.11%0.00825%0.246CC..Iπ-helixtrans-61.6-66.4173.2167-108000110.8L119 N120 K126 E128 M129 E133 I134 F136 F184L119-Y124 WeakPolarHBondContact O-CB 3.28Å; L119-Y124 PolarHBondContact O-N 2.66Å; N120-Y124 WeakPolarHBondContact O-CB 3.29Å; Y124-K126 PolarHBondContact O-N 3.45Å; Y124-E128 CarbonylContact O-C 3.56Å; Y124-E128 PolarHBondContact O-N 2.93Å; Y124-E128 VanDerWaalsContact O-N 3.1Å; Y124-M129 HydrophobicContact CD2-CB 4.17Å; Y124-M129 HydrophobicContact CE1-CG 4.26Å; Y124-M129 HydrophobicContact CE1-SD 4.09Å; Y124-M129 HydrophobicContact CE2-CB 3.89Å; Y124-M129 HydrophobicContact CE2-CG 3.82Å; Y124-M129 WeakPolarHBondContact O-CB 3.42Å; Y124-M129 PolarHBondContact O-N 2.8Å; Y124-E133 WeakPolarHBondContact CE2-OE2 3.23Å; Y124-E133 WeakPolarHBondContact OH-CG 3.09Å; Y124-E133 PolarHBondContact OH-OE2 2.72Å; Y124-I134 PolarHBondContact OH-O 2.82Å; Y124-F136 AromaticContact CD1-CD2 3.58Å; Y124-F136 HydrophobicContact CD1-CD2 3.58Å; Y124-F136 HydrophobicContact CD1-CE2 4.09Å; Y124-F136 HydrophobicContact CD1-CG 4.41Å; Y124-F136 HydrophobicContact CD2-CE2 4.21Å; Y124-F136 HydrophobicContact CE1-CB 4.12Å; Y124-F136 AromaticContact CE1-CD2 3.25Å; Y124-F136 HydrophobicContact CE1-CD2 3.25Å; Y124-F136 AromaticContact CE1-CE2 3.71Å; Y124-F136 HydrophobicContact CE1-CE2 3.71Å; Y124-F136 AromaticContact CE1-CG 3.78Å; Y124-F136 HydrophobicContact CE1-CG 3.78Å; Y124-F136 HydrophobicContact CE2-CD2 4.22Å; Y124-F136 AromaticContact CE2-CE2 3.8Å; Y124-F136 HydrophobicContact CE2-CE2 3.8Å; Y124-F136 HydrophobicContact CE2-CZ 4.43Å; Y124-F136 HydrophobicContact CG-CD2 4.21Å; Y124-F136 HydrophobicContact CG-CE2 4.32Å; Y124-F136 AromaticContact CZ-CD2 3.59Å; Y124-F136 AromaticContact CZ-CE2 3.52Å; Y124-F184 AromaticContact CD2-CD2 3.53Å; Y124-F184 HydrophobicContact CD2-CD2 3.53Å; Y124-F184 AromaticContact CD2-CE2 3.67Å; Y124-F184 HydrophobicContact CD2-CE2 3.67Å; Y124-F184 HydrophobicContact CD2-CG 4.42Å; Y124-F184 HydrophobicContact CE2-CD2 4.42Å; Y124-F184 HydrophobicContact CG-CD2 4.01Å; Y124-F184 HydrophobicContact CG-CE2 4.15Å
125R91.7Very high92.2Very high116 Ų11657.3 Ų57.344%0.43826%0.261SS..Iπ-helixtrans-61.5-32.8-167.2-162-178.1-174.6-149.11.2115.6N120 R121 P135N120-R125 PolarHBondContact O-N 2.78Å; N120-R125 VanDerWaalsContact O-N 3.1Å; R121-R125 WeakPolarHBondContact O-CB 3.39Å; R125-P135 HydrophobicContact CG-CB 4.34Å
126K90.3Very high91.9Very high88 Ų8858.9 Ų58.938%0.38327%0.268SS..Iπ-helixtrans-103-35.4-178.8-75.6-75.8-158.8155.30114.1D74 L76 T77 I122 Y124D74-K126 IonicContact OD1-NZ 3.24Å; D74-K126 PolarHBondContact OD1-NZ 2.89Å; D74-K126 IonicContact OD2-NZ 2.59Å; D74-K126 PolarHBondContact OD2-NZ 3.29Å; L76-K126 WeakPolarHBondContact O-CE 3.29Å; L76-K126 PolarHBondContact O-NZ 3.26Å; T77-K126 VanDerWaalsContact OG1-CD 3.3Å; T77-K126 WeakPolarHBondContact OG1-CD 3.11Å; T77-K126 WeakPolarHBondContact OG1-CE 3.09Å; T77-K126 PolarHBondContact OG1-NZ 3.28Å; I122-K126 WeakPolarHBondContact O-CB 3.46Å; I122-K126 PolarHBondContact O-N 2.95Å; Y124-K126 PolarHBondContact O-N 3.45Å
127Q90.8Very high91.4Very high101 Ų10164.8 Ų64.847%0.47230%0.299SS..Iπ-helixtrans-103.4-31.4-171.2-48.1173.7-10.800113.4I123I123-Q127 CarbonylContact O-C 3.5Å; I123-Q127 WeakPolarHBondContact O-CA 3.42Å; I123-Q127 VanDerWaalsContact O-CB 3.24Å; I123-Q127 WeakPolarHBondContact O-CB 3.3Å; I123-Q127 PolarHBondContact O-N 2.85Å; I123-Q127 VanDerWaalsContact O-N 3.1Å
128E94Very high91.1Very high17 Ų1765 Ų658%0.07930%0.303CS..Iπ-helixtrans-129.5-9.1-163.7-62.4-161.8-15400116.9I123 Y124 F184 R186 K187I123-E128 HydrophobicContact CG2-CG 4.2Å; I123-E128 WeakPolarHBondContact CG2-OE1 3.37Å; I123-E128 PolarHBondContact O-N 2.88Å; Y124-E128 CarbonylContact O-C 3.56Å; Y124-E128 PolarHBondContact O-N 2.93Å; Y124-E128 VanDerWaalsContact O-N 3.1Å; E128-F184 HydrophobicContact CB-CE2 4.18Å; E128-F184 HydrophobicContact CB-CZ 4.19Å; E128-R186 WeakPolarHBondContact OE1-CG 3.42Å; E128-R186 IonicContact OE1-NE 2.75Å; E128-R186 PolarHBondContact OE1-NE 2.89Å; E128-R186 WeakPolarHBondContact OE2-CA 3.49Å; E128-K187 HydrophobicContact CB-CD 4.11Å; E128-K187 HydrophobicContact CB-CG 4.49Å; E128-K187 HydrophobicContact CG-CD 4.34Å; E128-K187 WeakPolarHBondContact O-CE 3.47Å; E128-K187 PolarHBondContact O-NZ 2.69Å; E128-K187 PolarHBondContact OE2-N 3.44Å
129M91.8Very high90.8Very high57 Ų5765.5 Ų65.528%0.28131%0.305SS..  trans-62.9147.6175.5-169.5174.493.600111.6Y124 E133 P135Y124-M129 HydrophobicContact CD2-CB 4.17Å; Y124-M129 HydrophobicContact CE1-CG 4.26Å; Y124-M129 HydrophobicContact CE1-SD 4.09Å; Y124-M129 HydrophobicContact CE2-CB 3.89Å; Y124-M129 HydrophobicContact CE2-CG 3.82Å; Y124-M129 WeakPolarHBondContact O-CB 3.42Å; Y124-M129 PolarHBondContact O-N 2.8Å; M129-E133 HydrophobicContact CG-CB 4.02Å; M129-E133 HydrophobicContact CG-CG 4.48Å; M129-P135 HydrophobicContact SD-CB 3.76Å
130E87.3Confident90.5Very high78 Ų7867.1 Ų67.136%0.36432%0.316SS..  trans-85.7148.4173.9-43.6-56.8169.900111.5N132 E133 K187 R190E130-N132 PolarHBondContact O-N 3.21Å; E130-E133 HydrophobicContact CB-CB 4.22Å; E130-E133 PolarHBondContact N-OE2 3.11Å; E130-E133 VanDerWaalsContact N-OE2 3.16Å; E130-E133 VanDerWaalsContact O-CB 3.3Å; E130-E133 WeakPolarHBondContact O-CB 3.24Å; E130-E133 PolarHBondContact O-N 2.93Å; E130-K187 WeakPolarHBondContact OE1-CE 3.45Å; E130-K187 IonicContact OE1-NZ 2.66Å; E130-K187 PolarHBondContact OE1-NZ 3.19Å; E130-K187 IonicContact OE2-NZ 2.73Å; E130-K187 PolarHBondContact OE2-NZ 3.3Å; E130-R190 IonicContact OE1-CZ 2.69Å; E130-R190 IonicContact OE1-NH1 3.3Å; E130-R190 PolarHBondContact OE1-NH1 2.91Å; E130-R190 IonicContact OE1-NH2 2.68Å
131R83.4Confident90.2Very high245 Ų24569.7 Ų69.793%0.92533%0.334SS*.THydrogen-bonded Turntrans-56.8-22.5-171.1-82.7-175-77.9165.3-5.7116.5
132N83.2Confident89.9Confident166 Ų16672 Ų7289%0.88836%0.356SS*.THydrogen-bonded Turntrans-115.315.5-178.6-58.64.1000111.8E130E130-N132 PolarHBondContact O-N 3.21Å
133E86.3Confident89.8Confident52 Ų5272.4 Ų72.424%0.24336%0.358CS..PPolyproline II helixtrans-91.7138.3-179-165.3170.6-150.600110.5Y124 M129 E130Y124-E133 WeakPolarHBondContact CE2-OE2 3.23Å; Y124-E133 WeakPolarHBondContact OH-CG 3.09Å; Y124-E133 PolarHBondContact OH-OE2 2.72Å; M129-E133 HydrophobicContact CG-CB 4.02Å; M129-E133 HydrophobicContact CG-CG 4.48Å; E130-E133 HydrophobicContact CB-CB 4.22Å; E130-E133 PolarHBondContact N-OE2 3.11Å; E130-E133 VanDerWaalsContact N-OE2 3.16Å; E130-E133 VanDerWaalsContact O-CB 3.3Å; E130-E133 WeakPolarHBondContact O-CB 3.24Å; E130-E133 PolarHBondContact O-N 2.93Å
134I85.8Confident89.8Confident136 Ų13673.2 Ų73.270%0.69736%0.361SS*.PPolyproline II helixtrans-75.7123.6176.3-60.2176.1000107.8Y124 F136Y124-I134 PolarHBondContact OH-O 2.82Å; I134-F136 PolarHBondContact O-N 2.91Å
135P89.7Confident89.9Confident47 Ų4773.1 Ų73.131%0.30536%0.361SS..PPolyproline II helixtrans-65.1132.1-178.325.9-34.2000110.9R125 M129R125-P135 HydrophobicContact CG-CB 4.34Å; M129-P135 HydrophobicContact SD-CB 3.76Å
136F90.9Very high90.2Very high34 Ų3468.2 Ų68.215%0.14934%0.343CS..PPolyproline II helixtrans-53.9142.9169.9-57.8-41.8000112R121 Y124 I134 F157 T182 F184R121-F136 PolarHBondContact NH1-O 3.28Å; Y124-F136 AromaticContact CD1-CD2 3.58Å; Y124-F136 HydrophobicContact CD1-CD2 3.58Å; Y124-F136 HydrophobicContact CD1-CE2 4.09Å; Y124-F136 HydrophobicContact CD1-CG 4.41Å; Y124-F136 HydrophobicContact CD2-CE2 4.21Å; Y124-F136 HydrophobicContact CE1-CB 4.12Å; Y124-F136 AromaticContact CE1-CD2 3.25Å; Y124-F136 HydrophobicContact CE1-CD2 3.25Å; Y124-F136 AromaticContact CE1-CE2 3.71Å; Y124-F136 HydrophobicContact CE1-CE2 3.71Å; Y124-F136 AromaticContact CE1-CG 3.78Å; Y124-F136 HydrophobicContact CE1-CG 3.78Å; Y124-F136 HydrophobicContact CE2-CD2 4.22Å; Y124-F136 AromaticContact CE2-CE2 3.8Å; Y124-F136 HydrophobicContact CE2-CE2 3.8Å; Y124-F136 HydrophobicContact CE2-CZ 4.43Å; Y124-F136 HydrophobicContact CG-CD2 4.21Å; Y124-F136 HydrophobicContact CG-CE2 4.32Å; Y124-F136 AromaticContact CZ-CD2 3.59Å; Y124-F136 AromaticContact CZ-CE2 3.52Å; I134-F136 PolarHBondContact O-N 2.91Å; F136-F157 HydrophobicContact CD2-CZ 4.45Å; F136-T182 HydrophobicContact CB-CG2 3.9Å; F136-T182 HydrophobicContact CD1-CG2 3.58Å; F136-T182 HydrophobicContact CD2-CG2 4.35Å; F136-T182 HydrophobicContact CE1-CG2 4.22Å; F136-T182 HydrophobicContact CG-CG2 3.68Å; F136-F184 HydrophobicContact CE2-CB 4.21Å
137L89Confident90.6Very high127 Ų12764 Ų6467%0.66533%0.325SS*.PPolyproline II helixtrans-67.5162.8169.6-60.1-178.8000110.2N120N120-L137 PolarHBondContact ND2-O 3.18Å
138C89.8Confident90.9Very high24 Ų2459.4 Ų59.416%0.16230%0.303CS..PPolyproline II helixtrans-71.8147.2170.3-145.20000109.8
139H92.1Very high91.1Very high10 Ų1058.7 Ų58.75%0.04630%0.3CS..PPolyproline II helixtrans-83.1144.7175.2-54.1100000110.1Y58 L116 N120 D143 F157 S159 T182Y58-H139 WeakPolarHBondContact CD1-O 3.45Å; L116-H139 HydrophobicContact CD2-CB 3.83Å; N120-H139 PolarHBondContact ND2-CE1 2.92Å; N120-H139 PolarHBondContact ND2-ND1 2.88Å; N120-H139 VanDerWaalsContact ND2-ND1 3.17Å; H139-D143 WeakPolarHBondContact CA-OD2 3.28Å; H139-D143 HydrophobicContact CB-CB 4.11Å; H139-F157 AromaticContact CE1-CE2 3.48Å; H139-F157 VanDerWaalsContact CE1-CE2 3.48Å; H139-F157 WeakPolarHBondContact CE1-CE2 3.48Å; H139-F157 AromaticContact NE2-CE2 3.91Å; H139-S159 PolarHBondContact NE2-OG 3.27Å; H139-T182 PolarHBondContact NE2-OG1 2.68Å
140S89.7Confident91.3Very high35 Ų3560 Ų6025%0.24530%0.304CS..PPolyproline II helixtrans-77.4168.4174.869.60000113.2T142 D143S140-T142 PolarHBondContact O-N 2.91Å; S140-T142 PolarHBondContact OG-N 2.85Å; S140-T142 PolarHBondContact OG-OG1 3.15Å; S140-T142 VanDerWaalsContact OG-OG1 3.05Å; S140-D143 PolarHBondContact N-OD2 3.34Å; S140-D143 PolarHBondContact O-N 2.93Å; S140-D143 WeakPolarHBondContact OG-CB 3.44Å; S140-D143 VanDerWaalsContact OG-CG 3.29Å; S140-D143 PolarHBondContact OG-N 2.78Å
141S89.6Confident91.7Very high54 Ų5465.3 Ų65.338%0.37833%0.326SS..THydrogen-bonded Turntrans-48.5-36.6165.953.40000113.7R113R113-S141 VanDerWaalsContact CZ-O 3.24Å; R113-S141 PolarHBondContact NE-O 2.89Å; R113-S141 VanDerWaalsContact NE-O 3.14Å; R113-S141 PolarHBondContact NH2-O 2.75Å
142T87.9Confident92.3Very high116 Ų11654.6 Ų54.671%0.71229%0.292SS*.THydrogen-bonded Turntrans-97.9-9.5-174.550.20000114.3S140 Y144S140-T142 PolarHBondContact O-N 2.91Å; S140-T142 PolarHBondContact OG-N 2.85Å; S140-T142 PolarHBondContact OG-OG1 3.15Å; S140-T142 VanDerWaalsContact OG-OG1 3.05Å; T142-Y144 PolarHBondContact O-N 2.82Å
143D91.5Very high93Very high16 Ų1648.6 Ų48.69%0.08626%0.259CS..  trans-64.5133.2-171.1-102.4-22.2000112.6R113 H139 S140 A145 K161R113-D143 VanDerWaalsContact CZ-O 3.31Å; R113-D143 PolarHBondContact NH1-O 2.75Å; R113-D143 PolarHBondContact NH2-O 2.77Å; H139-D143 WeakPolarHBondContact CA-OD2 3.28Å; H139-D143 HydrophobicContact CB-CB 4.11Å; S140-D143 PolarHBondContact N-OD2 3.34Å; S140-D143 PolarHBondContact O-N 2.93Å; S140-D143 WeakPolarHBondContact OG-CB 3.44Å; S140-D143 VanDerWaalsContact OG-CG 3.29Å; S140-D143 PolarHBondContact OG-N 2.78Å; D143-A145 PolarHBondContact O-N 2.82Å; D143-K161 WeakPolarHBondContact OD1-CE 3.31Å; D143-K161 IonicContact OD1-NZ 3.36Å; D143-K161 PolarHBondContact OD1-NZ 2.81Å; D143-K161 IonicContact OD2-NZ 2.69Å; D143-K161 PolarHBondContact OD2-NZ 2.96Å
144Y95.4Very high93.5Very high16 Ų1646.1 Ų46.16%0.06325%0.247CC..EExtended strand (participates in β ladder)trans-71.8118.9176.3-171.5-81.8000109.6Q106 T142 K146 S159 V160 I338 F342Q106-Y144 HydrophobicContact CG-CE2 4.05Å; Q106-Y144 PolarHBondContact OE1-OH 2.79Å; Q106-Y144 VanDerWaalsContact OE1-OH 3.07Å; T142-Y144 PolarHBondContact O-N 2.82Å; Y144-K146 HydrophobicContact CE1-CG 4.22Å; Y144-K146 WeakPolarHBondContact OH-CE 3.48Å; Y144-S159 CarbonylContact O-C 3.6Å; Y144-S159 VanDerWaalsContact O-CA 3.24Å; Y144-S159 WeakPolarHBondContact O-CA 3.24Å; Y144-S159 WeakPolarHBondContact O-CB 3.42Å; Y144-V160 HydrophobicContact CD1-CB 3.83Å; Y144-V160 HydrophobicContact CD1-CG2 3.87Å; Y144-V160 HydrophobicContact CE1-CG2 4.33Å; Y144-V160 HydrophobicContact CG-CB 4.45Å; Y144-V160 PolarHBondContact O-N 2.8Å; Y144-I338 HydrophobicContact CE2-CD1 4.32Å; Y144-I338 HydrophobicContact CE2-CG1 4.17Å; Y144-F342 HydrophobicContact CD2-CZ 4.47Å
145A97.7Very high94.1Very high0 Ų039.8 Ų39.80%022%0.215CC..EExtended strand (participates in β ladder)trans-143.9154.8176.600000111.6Q106 V107 L116 D143 Y158Q106-A145 WeakPolarHBondContact CA-O 3.18Å; V107-A145 HydrophobicContact CB-CB 4.38Å; V107-A145 HydrophobicContact CG2-CB 4.01Å; V107-A145 PolarHBondContact N-O 2.77Å; L116-A145 HydrophobicContact CD1-CB 4.18Å; L116-A145 HydrophobicContact CD2-CB 3.7Å; D143-A145 PolarHBondContact O-N 2.82Å; A145-Y158 CarbonylContact C-O 3.53Å; A145-Y158 VanDerWaalsContact CA-O 3.24Å; A145-Y158 WeakPolarHBondContact CA-O 3.48Å
146K98.3Very high94.4Very high14 Ų1437.6 Ų37.66%0.06120%0.2CC..EExtended strand (participates in β ladder)trans-126.7140.6165.1-54.8-161.7-170.8152.40110.9L104 K105 Q106 Y144 F157 Y158 D201 S205L104-K146 HydrophobicContact CB-CD 4.29Å; L104-K146 HydrophobicContact CD2-CB 4.13Å; K105-K146 CarbonylContact O-C 3.54Å; K105-K146 WeakPolarHBondContact O-CA 3.42Å; K105-K146 WeakPolarHBondContact O-CB 3.24Å; Q106-K146 HydrophobicContact CB-CG 4.25Å; Y144-K146 HydrophobicContact CE1-CG 4.22Å; Y144-K146 WeakPolarHBondContact OH-CE 3.48Å; K146-F157 CarbonylContact O-C 3.57Å; K146-F157 WeakPolarHBondContact O-CA 3.45Å; K146-F157 WeakPolarHBondContact O-CB 3.28Å; K146-Y158 HydrophobicContact CB-CD1 4.14Å; K146-Y158 HydrophobicContact CB-CE1 3.72Å; K146-Y158 HydrophobicContact CD-CE1 3.89Å; K146-Y158 WeakPolarHBondContact CD-OH 3.43Å; K146-Y158 WeakPolarHBondContact CE-OH 3.42Å; K146-Y158 HydrophobicContact CG-CE1 3.9Å; K146-Y158 PolarHBondContact N-O 2.98Å; K146-Y158 PolarHBondContact NZ-OH 2.89Å; K146-Y158 VanDerWaalsContact NZ-OH 3.11Å; K146-Y158 PolarHBondContact O-N 3.1Å; K146-D201 VanDerWaalsContact CD-OD2 3.28Å; K146-D201 WeakPolarHBondContact CD-OD2 3.46Å; K146-D201 IonicContact NZ-OD1 3.28Å; K146-D201 PolarHBondContact NZ-OD1 3.02Å; K146-D201 IonicContact NZ-OD2 2.91Å; K146-D201 PolarHBondContact NZ-OD2 3.5Å; K146-S205 PolarHBondContact NZ-OG 3.37Å
147I98.5Very high94.7Very high0 Ų036 Ų360%019%0.193CC..EExtended strand (participates in β ladder)trans-98.1136.2171.4-63.9163.1000108.3L104 K105 V107 E112 V115 L116 L119 W149 A154 F157L104-I147 WeakPolarHBondContact CA-O 3.27Å; K105-I147 PolarHBondContact N-O 2.66Å; K105-I147 PolarHBondContact O-N 2.78Å; V107-I147 HydrophobicContact CG2-CD1 3.72Å; V107-I147 HydrophobicContact CG2-CG1 3.76Å; E112-I147 HydrophobicContact CB-CD1 4.33Å; E112-I147 WeakPolarHBondContact O-CD1 3.36Å; V115-I147 HydrophobicContact CB-CD1 4.02Å; V115-I147 HydrophobicContact CG1-CD1 3.81Å; V115-I147 HydrophobicContact CG1-CG2 4.49Å; L116-I147 HydrophobicContact CB-CD1 4.42Å; L119-I147 HydrophobicContact CD1-CG2 4.22Å; I147-W149 HydrophobicContact CD1-CZ2 4.26Å; I147-W149 HydrophobicContact CG2-CD2 4.11Å; I147-W149 HydrophobicContact CG2-CG 4.27Å; I147-W149 HydrophobicContact CG2-CZ2 3.95Å; I147-A154 HydrophobicContact CG2-CB 3.63Å; I147-F157 HydrophobicContact CG1-CB 4.4Å
148L98Very high95.2Very high4 Ų429.9 Ų29.92%0.02116%0.161CC..EExtended strand (participates in β ladder)trans-91109.1170.1176.463.4000109.4L104 I155 G156 L185 F194 M198L104-L148 HydrophobicContact CD2-CB 3.77Å; L104-L148 HydrophobicContact CD2-CD1 4.33Å; L104-L148 HydrophobicContact CG-CB 4.33Å; L104-L148 HydrophobicContact CG-CD1 3.93Å; L148-I155 HydrophobicContact CB-CG1 4.32Å; L148-I155 HydrophobicContact CD2-CD1 3.64Å; L148-I155 HydrophobicContact CD2-CG1 3.83Å; L148-I155 HydrophobicContact CG-CD1 3.94Å; L148-I155 HydrophobicContact CG-CG1 3.74Å; L148-I155 WeakPolarHBondContact O-CG1 3.5Å; L148-I155 PolarHBondContact O-N 3.16Å; L148-G156 PolarHBondContact N-O 2.86Å; L148-L185 HydrophobicContact CD2-CD2 3.82Å; L148-F194 HydrophobicContact CD2-CB 3.73Å; L148-F194 HydrophobicContact CD2-CD1 3.91Å; L148-F194 HydrophobicContact CD2-CG 3.83Å; L148-M198 HydrophobicContact CB-CE 3.62Å; L148-M198 HydrophobicContact CD2-CE 4.04Å; L148-M198 HydrophobicContact CG-CE 4.49Å
149W97.9Very high95.5Very high1 Ų128.8 Ų28.80%0.00415%0.154CC..EExtended strand (participates in β ladder)trans-93139.3174.1-61.690.6000110.9V5 T96 R101 G103 V115 I147 E153 A154V5-W149 HydrophobicContact CB-CH2 4.41Å; V5-W149 HydrophobicContact CG1-CH2 3.92Å; V5-W149 HydrophobicContact CG1-CZ3 4.48Å; V5-W149 HydrophobicContact CG2-CH2 4Å; V5-W149 HydrophobicContact CG2-CZ2 4.1Å; T96-W149 HydrophobicContact CG2-CD2 4.36Å; T96-W149 HydrophobicContact CG2-CE3 3.48Å; T96-W149 VanDerWaalsContact CG2-CE3 3.48Å; T96-W149 HydrophobicContact CG2-CH2 4.45Å; T96-W149 HydrophobicContact CG2-CZ3 3.53Å; R101-W149 HydrophobicContact CG-CD2 3.84Å; R101-W149 HydrophobicContact CG-CE3 4.49Å; R101-W149 HydrophobicContact CG-CG 3.9Å; R101-W149 HydrophobicContact CG-CZ2 4.43Å; R101-W149 WeakPolarHBondContact O-CB 3.43Å; G103-W149 PolarHBondContact N-O 2.84Å; G103-W149 PolarHBondContact O-N 3.13Å; V115-W149 HydrophobicContact CG1-CH2 3.94Å; V115-W149 HydrophobicContact CG1-CZ2 4.09Å; V115-W149 HydrophobicContact CG2-CH2 4.12Å; I147-W149 HydrophobicContact CD1-CZ2 4.26Å; I147-W149 HydrophobicContact CG2-CD2 4.11Å; I147-W149 HydrophobicContact CG2-CG 4.27Å; I147-W149 HydrophobicContact CG2-CZ2 3.95Å; W149-E153 WeakPolarHBondContact CA-O 3.49Å; W149-A154 HydrophobicContact CD2-CB 4.21Å; W149-A154 HydrophobicContact CE3-CB 3.86Å; W149-A154 HydrophobicContact CH2-CB 3.94Å; W149-A154 HydrophobicContact CZ2-CB 4.28Å; W149-A154 HydrophobicContact CZ3-CB 3.72Å
150K96.4Very high95.7Very high84 Ų8428.3 Ų28.337%0.36515%0.151SC..EExtended strand (participates in β ladder)trans-147.8122.8173-171.9154.6-170.81490112.2E102 G152 E153 I155 F194E102-K150 VanDerWaalsContact OE2-CA 3.27Å; E102-K150 WeakPolarHBondContact OE2-CA 3.13Å; K150-G152 VanDerWaalsContact C-N 3.27Å; K150-G152 PolarHBondContact O-N 3.03Å; K150-E153 PolarHBondContact N-O 3.45Å; K150-E153 PolarHBondContact O-N 3.02Å; K150-E153 VanDerWaalsContact O-N 3.16Å; K150-I155 HydrophobicContact CB-CD1 3.71Å; K150-I155 HydrophobicContact CB-CG1 4.08Å; K150-I155 HydrophobicContact CB-CG2 4.34Å; K150-I155 HydrophobicContact CD-CD1 4.13Å; K150-F194 HydrophobicContact CD-CE1 3.73Å; K150-F194 HydrophobicContact CD-CZ 3.48Å; K150-F194 VanDerWaalsContact CD-CZ 3.48Å
151K94.9Very high96Very high190 Ų19028.5 Ų28.583%0.82615%0.148SC*.THydrogen-bonded Turntrans53.938.2-179-59.8-174.9173.3-169.80113.6E102E102-K151 PolarHBondContact OE2-N 2.82Å
152G95.8Very high96.2Very high21 Ų2126.7 Ų26.722%0.21614%0.135CC..THydrogen-bonded Turntrans77.515.1-178.800000115K95 T96 K150K95-G152 CarbonylContact C-O 3.57Å; K95-G152 VanDerWaalsContact CA-O 3.26Å; K95-G152 WeakPolarHBondContact CA-O 3.2Å; T96-G152 PolarHBondContact N-O 2.97Å; K150-G152 VanDerWaalsContact C-N 3.27Å; K150-G152 PolarHBondContact O-N 3.03Å
153E97.1Very high96.5Very high40 Ų4024 Ų2419%0.18712%0.119CC..EExtended strand (participates in β ladder)trans-126139.5171.9-178.6176.3-143.100110.9W149 K150 I155 R186 K188W149-E153 WeakPolarHBondContact CA-O 3.49Å; K150-E153 PolarHBondContact N-O 3.45Å; K150-E153 PolarHBondContact O-N 3.02Å; K150-E153 VanDerWaalsContact O-N 3.16Å; E153-I155 HydrophobicContact CG-CG2 4.37Å; E153-I155 PolarHBondContact O-N 2.62Å; E153-R186 IonicContact OE1-NH1 3.59Å; E153-R186 PolarHBondContact OE1-NH1 3.1Å; E153-K188 IonicContact OE1-NZ 2.69Å; E153-K188 PolarHBondContact OE1-NZ 3.09Å; E153-K188 IonicContact OE2-NZ 3.57Å; E153-K188 PolarHBondContact OE2-NZ 2.98Å
154A98Very high96.6Very high0 Ų025.6 Ų25.60%014%0.139CC..EExtended strand (participates in β ladder)trans-76.9115.5168.800000110.3V94 V115 L119 I147 W149V94-A154 HydrophobicContact CB-CB 4.31Å; V94-A154 PolarHBondContact O-N 3.48Å; V115-A154 HydrophobicContact CG1-CB 3.77Å; L119-A154 HydrophobicContact CD1-CB 3.96Å; I147-A154 HydrophobicContact CG2-CB 3.63Å; W149-A154 HydrophobicContact CD2-CB 4.21Å; W149-A154 HydrophobicContact CE3-CB 3.86Å; W149-A154 HydrophobicContact CH2-CB 3.94Å; W149-A154 HydrophobicContact CZ2-CB 4.28Å; W149-A154 HydrophobicContact CZ3-CB 3.72Å
155I97.1Very high96.4Very high3 Ų326.5 Ų26.52%0.01515%0.147CC..EExtended strand (participates in β ladder)trans-105-1.9-173.560160.8000113.9L148 K150 E153 R186 C189 F194L148-I155 HydrophobicContact CB-CG1 4.32Å; L148-I155 HydrophobicContact CD2-CD1 3.64Å; L148-I155 HydrophobicContact CD2-CG1 3.83Å; L148-I155 HydrophobicContact CG-CD1 3.94Å; L148-I155 HydrophobicContact CG-CG1 3.74Å; L148-I155 WeakPolarHBondContact O-CG1 3.5Å; L148-I155 PolarHBondContact O-N 3.16Å; K150-I155 HydrophobicContact CB-CD1 3.71Å; K150-I155 HydrophobicContact CB-CG1 4.08Å; K150-I155 HydrophobicContact CB-CG2 4.34Å; K150-I155 HydrophobicContact CD-CD1 4.13Å; E153-I155 HydrophobicContact CG-CG2 4.37Å; E153-I155 PolarHBondContact O-N 2.62Å; I155-R186 PolarHBondContact O-N 3Å; I155-C189 HydrophobicContact CB-CB 4.25Å; I155-C189 HydrophobicContact CD1-CB 4.24Å; I155-F194 HydrophobicContact CD1-CD1 4.36Å; I155-F194 HydrophobicContact CD1-CD2 3.78Å; I155-F194 HydrophobicContact CD1-CE1 4.18Å; I155-F194 HydrophobicContact CD1-CE2 3.57Å; I155-F194 HydrophobicContact CD1-CG 4.19Å; I155-F194 HydrophobicContact CD1-CZ 3.81Å
156G97.1Very high96Very high0 Ų032.1 Ų32.10%018%0.176CC..EExtended strand (participates in β ladder)trans168.1179.4177.200000112.7L148 F184L148-G156 PolarHBondContact N-O 2.86Å; G156-F184 CarbonylContact C-O 3.39Å; G156-F184 WeakPolarHBondContact CA-O 3.39Å
157F98Very high95.4Very high0 Ų031.7 Ų31.70%018%0.175CC..EExtended strand (participates in β ladder)trans-148.7165.617664.3-93.2000111.3L116 L119 N120 F136 H139 K146 I147 T182 F184L116-F157 HydrophobicContact CD1-CB 3.77Å; L116-F157 HydrophobicContact CD1-CD1 4.11Å; L116-F157 HydrophobicContact CD1-CD2 3.66Å; L116-F157 HydrophobicContact CD1-CE2 4.3Å; L116-F157 HydrophobicContact CD1-CG 3.57Å; L119-F157 HydrophobicContact CB-CD1 3.57Å; L119-F157 HydrophobicContact CB-CE1 3.68Å; L119-F157 HydrophobicContact CD1-CD1 4.02Å; L119-F157 HydrophobicContact CG-CD1 4.41Å; N120-F157 HydrophobicContact CB-CE1 3.93Å; N120-F157 HydrophobicContact CB-CZ 3.67Å; F136-F157 HydrophobicContact CD2-CZ 4.45Å; H139-F157 AromaticContact CE1-CE2 3.48Å; H139-F157 VanDerWaalsContact CE1-CE2 3.48Å; H139-F157 WeakPolarHBondContact CE1-CE2 3.48Å; H139-F157 AromaticContact NE2-CE2 3.91Å; K146-F157 CarbonylContact O-C 3.57Å; K146-F157 WeakPolarHBondContact O-CA 3.45Å; K146-F157 WeakPolarHBondContact O-CB 3.28Å; I147-F157 HydrophobicContact CG1-CB 4.4Å; F157-T182 WeakPolarHBondContact CE2-OG1 2.89Å; F157-F184 HydrophobicContact CD1-CB 4.01Å; F157-F184 AromaticContact CD1-CD1 3.9Å; F157-F184 HydrophobicContact CD1-CD1 3.9Å; F157-F184 HydrophobicContact CD1-CG 4.44Å; F157-F184 HydrophobicContact CE1-CB 3.57Å; F157-F184 AromaticContact CE1-CD1 3.55Å; F157-F184 HydrophobicContact CE1-CD1 3.55Å; F157-F184 AromaticContact CE1-CG 3.91Å; F157-F184 HydrophobicContact CE1-CG 3.91Å; F157-F184 HydrophobicContact CE2-CB 4.17Å; F157-F184 HydrophobicContact CG-CB 4.5Å; F157-F184 HydrophobicContact CZ-CB 3.65Å; F157-F184 HydrophobicContact CZ-CD1 4.42Å; F157-F184 HydrophobicContact CZ-CG 4.35Å; F157-F184 PolarHBondContact N-O 2.55Å; F157-F184 PolarHBondContact O-N 2.79Å
158Y97.7Very high94.4Very high0 Ų035.6 Ų35.60%021%0.207CC..EExtended strand (participates in β ladder)trans-135.1152.7158.679.1-94.6000110.7L104 A145 K146 V160 L180 T182 M198 D201 F202L104-Y158 HydrophobicContact CD2-CD1 4.12Å; L104-Y158 HydrophobicContact CD2-CE1 4.04Å; A145-Y158 CarbonylContact C-O 3.53Å; A145-Y158 VanDerWaalsContact CA-O 3.24Å; A145-Y158 WeakPolarHBondContact CA-O 3.48Å; K146-Y158 HydrophobicContact CB-CD1 4.14Å; K146-Y158 HydrophobicContact CB-CE1 3.72Å; K146-Y158 HydrophobicContact CD-CE1 3.89Å; K146-Y158 WeakPolarHBondContact CD-OH 3.43Å; K146-Y158 WeakPolarHBondContact CE-OH 3.42Å; K146-Y158 HydrophobicContact CG-CE1 3.9Å; K146-Y158 PolarHBondContact N-O 2.98Å; K146-Y158 PolarHBondContact NZ-OH 2.89Å; K146-Y158 VanDerWaalsContact NZ-OH 3.11Å; K146-Y158 PolarHBondContact O-N 3.1Å; Y158-V160 HydrophobicContact CD2-CG2 3.84Å; Y158-V160 HydrophobicContact CE2-CG2 3.55Å; Y158-L180 HydrophobicContact CD2-CD2 4.34Å; Y158-L180 HydrophobicContact CD2-CG 4.13Å; Y158-T182 CarbonylContact C-O 3.55Å; Y158-T182 WeakPolarHBondContact CA-O 3.25Å; Y158-T182 WeakPolarHBondContact CB-O 3.29Å; Y158-M198 HydrophobicContact CD1-CB 4.27Å; Y158-M198 HydrophobicContact CD1-CG 4.28Å; Y158-D201 WeakPolarHBondContact CE1-OD2 3.32Å; Y158-D201 PolarHBondContact OH-OD2 3.09Å; Y158-D201 VanDerWaalsContact OH-OD2 3.13Å; Y158-F202 HydrophobicContact CE2-CB 4.16Å; Y158-F202 HydrophobicContact CE2-CD2 4.17Å
159S97.1Very high93.5Very high0 Ų039.5 Ų39.50%023%0.234CC..EExtended strand (participates in β ladder)trans-122.7158.2171.971.90000112.2H139 Y144 D181 T182H139-S159 PolarHBondContact NE2-OG 3.27Å; Y144-S159 CarbonylContact O-C 3.6Å; Y144-S159 VanDerWaalsContact O-CA 3.24Å; Y144-S159 WeakPolarHBondContact O-CA 3.24Å; Y144-S159 WeakPolarHBondContact O-CB 3.42Å; S159-D181 PolarHBondContact O-N 2.93Å; S159-T182 WeakPolarHBondContact CB-OG1 3.34Å; S159-T182 PolarHBondContact N-O 3.22Å; S159-T182 PolarHBondContact OG-N 2.78Å; S159-T182 PolarHBondContact OG-OG1 2.85Å
160V96.6Very high92.6Very high0 Ų043.5 Ų43.50%025%0.252CS..EExtended strand (participates in β ladder)trans-134.8142.1-179.2-175.30000108.7Y144 Y158 P162 P178 V179 F202 F206Y144-V160 HydrophobicContact CD1-CB 3.83Å; Y144-V160 HydrophobicContact CD1-CG2 3.87Å; Y144-V160 HydrophobicContact CE1-CG2 4.33Å; Y144-V160 HydrophobicContact CG-CB 4.45Å; Y144-V160 PolarHBondContact O-N 2.8Å; Y158-V160 HydrophobicContact CD2-CG2 3.84Å; Y158-V160 HydrophobicContact CE2-CG2 3.55Å; V160-P162 WeakPolarHBondContact O-CD 3.34Å; V160-P178 HydrophobicContact CG1-CB 4.22Å; V160-V179 CarbonylContact C-O 3.48Å; V160-V179 VanDerWaalsContact CA-O 3.28Å; V160-V179 WeakPolarHBondContact CA-O 3.46Å; V160-V179 WeakPolarHBondContact CG1-O 3.49Å; V160-F202 HydrophobicContact CG1-CE2 3.93Å; V160-F202 HydrophobicContact CG2-CD2 3.74Å; V160-F202 HydrophobicContact CG2-CE2 3.78Å; V160-F206 HydrophobicContact CG1-CE2 3.99Å; V160-F206 HydrophobicContact CG1-CZ 3.85Å; V160-F206 HydrophobicContact CG2-CE2 4.23Å
161K95Very high91.5Very high39 Ų3946.1 Ų46.117%0.1727%0.27CS..EExtended strand (participates in β ladder)trans-96.8108.3161.3-59.9-67.8174.7177.90107.7D143 Y175 V179 D181D143-K161 WeakPolarHBondContact OD1-CE 3.31Å; D143-K161 IonicContact OD1-NZ 3.36Å; D143-K161 PolarHBondContact OD1-NZ 2.81Å; D143-K161 IonicContact OD2-NZ 2.69Å; D143-K161 PolarHBondContact OD2-NZ 2.96Å; K161-Y175 HydrophobicContact CB-CD1 4.17Å; K161-Y175 HydrophobicContact CB-CD2 3.52Å; K161-Y175 HydrophobicContact CB-CE1 4.12Å; K161-Y175 HydrophobicContact CB-CE2 3.45Å; K161-Y175 VanDerWaalsContact CB-CE2 3.45Å; K161-Y175 HydrophobicContact CB-CG 3.88Å; K161-Y175 HydrophobicContact CD-CE2 4.2Å; K161-Y175 HydrophobicContact CG-CD2 4.25Å; K161-Y175 HydrophobicContact CG-CE1 4.49Å; K161-Y175 HydrophobicContact CG-CE2 3.66Å; K161-V179 PolarHBondContact N-O 3.37Å; K161-V179 PolarHBondContact O-N 3.07Å; K161-D181 WeakPolarHBondContact CE-OD2 3.45Å; K161-D181 HydrophobicContact CG-CB 4.2Å; K161-D181 VanDerWaalsContact CG-OD2 3.25Å; K161-D181 WeakPolarHBondContact CG-OD2 3.37Å
162P94.3Very high91Very high16 Ų1643.5 Ų43.510%0.10427%0.27CS..  trans-68.4156.8-175.6-21.333.9000112.5V160 G164 S165 F342V160-P162 WeakPolarHBondContact O-CD 3.34Å; P162-G164 PolarHBondContact O-N 2.8Å; P162-S165 WeakPolarHBondContact O-CB 3.3Å; P162-S165 PolarHBondContact O-N 3.31Å; P162-S165 PolarHBondContact O-OG 2.89Å; P162-F342 HydrophobicContact CB-CE2 4.21Å; P162-F342 HydrophobicContact CG-CE2 4.28Å; P162-F342 HydrophobicContact CG-CZ 4.29Å
163T94.4Very high90.8Very high61 Ų6145.5 Ų45.537%0.37427%0.273SS..THydrogen-bonded Turntrans-49.6128.5170.5-45.20000110.8S165 Y175 L177 P178 E208T163-S165 VanDerWaalsContact C-N 3.34Å; T163-S165 PolarHBondContact O-N 3.33Å; T163-Y175 WeakPolarHBondContact CA-O 3.45Å; T163-L177 VanDerWaalsContact OG1-C 3.29Å; T163-P178 WeakPolarHBondContact OG1-CD 3.13Å; T163-P178 WeakPolarHBondContact OG1-CG 3.24Å; T163-E208 PolarHBondContact OG1-OE1 3.35Å
164G92.6Very high90.6Very high49 Ų4945.6 Ų45.651%0.50528%0.278SS..THydrogen-bonded Turntrans85.6-10.6179.600000115.6P162 S174 Y175P162-G164 PolarHBondContact O-N 2.8Å; G164-S174 WeakPolarHBondContact O-CB 3.4Å; G164-Y175 PolarHBondContact N-O 3.44Å
165S91.1Very high90.5Very high35 Ų3546.1 Ų46.125%0.24528%0.28CS..PPolyproline II helixtrans-65.5143.317163.10000111.8P162 T163 S174 Y175P162-S165 WeakPolarHBondContact O-CB 3.3Å; P162-S165 PolarHBondContact O-N 3.31Å; P162-S165 PolarHBondContact O-OG 2.89Å; T163-S165 VanDerWaalsContact C-N 3.34Å; T163-S165 PolarHBondContact O-N 3.33Å; S165-S174 CarbonylContact O-C 3.23Å; S165-S174 WeakPolarHBondContact O-CA 3.44Å; S165-S174 VanDerWaalsContact O-CB 3.24Å; S165-S174 WeakPolarHBondContact O-CB 3.44Å; S165-Y175 WeakPolarHBondContact O-CD2 3.44Å; S165-Y175 PolarHBondContact O-N 2.95Å; S165-Y175 WeakPolarHBondContact OG-CD2 3.33Å
166I89.5Confident90.4Very high118 Ų11850 Ų5061%0.60530%0.298SS*.EExtended strand (participates in β ladder)trans-72.4139.4179-59.6174.4000109.6
167C86.2Confident90.3Very high4 Ų450.1 Ų50.13%0.02730%0.299CS..EExtended strand (participates in β ladder)trans-83.9121.3173.6-172.80000110.6S169 F170 L171 Q173 Y175 V245C167-S169 PolarHBondContact O-N 3.02Å; C167-F170 HydrophobicContact CB-CB 4.28Å; C167-F170 CarbonylContact O-C 3.53Å; C167-F170 PolarHBondContact O-N 2.89Å; C167-F170 VanDerWaalsContact O-O 3.12Å; C167-L171 PolarHBondContact O-N 3.3Å; C167-Q173 PolarHBondContact N-O 3.04Å; C167-Y175 HydrophobicContact CB-CD2 4.5Å; C167-Y175 HydrophobicContact CB-CE2 3.87Å; C167-Y175 PolarHBondContact SG-OH 3.46Å; C167-V245 HydrophobicContact CB-CG1 3.56Å
168A78.3Confident90.3Very high83 Ų8350.1 Ų50.169%0.68630%0.299SS*.THydrogen-bonded Turntrans-57.4-36.1-179.700000113F170 L171A168-F170 VanDerWaalsContact C-N 3.29Å; A168-F170 PolarHBondContact O-N 2.9Å; A168-L171 WeakPolarHBondContact O-CD2 3.34Å
169S77.8Confident90.2Very high85 Ų8550.2 Ų50.259%0.59430%0.299SS*.THydrogen-bonded Turntrans-75.7-12.5176.3-48.80000114.3C167C167-S169 PolarHBondContact O-N 3.02Å
170F79.2Confident90.3Very high85 Ų8550.2 Ų50.237%0.37330%0.299SS..EExtended strand (participates in β ladder)trans-144.875.8-176.5-56.8-64.8000109.2C167 A168 T172 Q173 V245C167-F170 HydrophobicContact CB-CB 4.28Å; C167-F170 CarbonylContact O-C 3.53Å; C167-F170 PolarHBondContact O-N 2.89Å; C167-F170 VanDerWaalsContact O-O 3.12Å; A168-F170 VanDerWaalsContact C-N 3.29Å; A168-F170 PolarHBondContact O-N 2.9Å; F170-T172 PolarHBondContact O-N 3.29Å; F170-Q173 HydrophobicContact CB-CB 4Å; F170-Q173 HydrophobicContact CB-CG 4.16Å; F170-Q173 PolarHBondContact O-N 3.12Å; F170-V245 HydrophobicContact CD2-CG1 4.43Å
171L74.5Confident90.2Very high140 Ų14051.3 Ų51.373%0.73331%0.306SS*.EExtended strand (participates in β ladder)trans-54.5-18.3-170.4-58.6177000115.5C167 A168C167-L171 PolarHBondContact O-N 3.3Å; A168-L171 WeakPolarHBondContact O-CD2 3.34Å
172T83.4Confident90.1Very high135 Ų13549.7 Ų49.783%0.82830%0.299SS*.EExtended strand (participates in β ladder)trans-95.6-0.4177.154.90000114.5F170F170-T172 PolarHBondContact O-N 3.29Å
173Q91.1Very high90.2Very high62 Ų6249.2 Ų49.229%0.2930%0.295SS..EExtended strand (participates in β ladder)trans-123.2145.6-175.2-60.4179.443.500111.7C167 F170 V245C167-Q173 PolarHBondContact N-O 3.04Å; F170-Q173 HydrophobicContact CB-CB 4Å; F170-Q173 HydrophobicContact CB-CG 4.16Å; F170-Q173 PolarHBondContact O-N 3.12Å; Q173-V245 HydrophobicContact CB-CG1 3.86Å; Q173-V245 HydrophobicContact CB-CG2 4.35Å
174S93.6Very high90.3Very high42 Ų4246.5 Ų46.529%0.29428%0.278SS..EExtended strand (participates in β ladder)trans-124.7152.6177.759.20000112.5G164 S165 Q176G164-S174 WeakPolarHBondContact O-CB 3.4Å; S165-S174 CarbonylContact O-C 3.23Å; S165-S174 WeakPolarHBondContact O-CA 3.44Å; S165-S174 VanDerWaalsContact O-CB 3.24Å; S165-S174 WeakPolarHBondContact O-CB 3.44Å; S174-Q176 PolarHBondContact O-N 3.38Å; S174-Q176 PolarHBondContact O-NE2 3.19Å
175Y94.9Very high90.4Very high12 Ų1244.3 Ų44.35%0.04726%0.255CS..  trans-63.3128.5-176.3-77.9-82.2000112.5K161 T163 G164 S165 C167 L177 V179 R214 G244 V245K161-Y175 HydrophobicContact CB-CD1 4.17Å; K161-Y175 HydrophobicContact CB-CD2 3.52Å; K161-Y175 HydrophobicContact CB-CE1 4.12Å; K161-Y175 HydrophobicContact CB-CE2 3.45Å; K161-Y175 VanDerWaalsContact CB-CE2 3.45Å; K161-Y175 HydrophobicContact CB-CG 3.88Å; K161-Y175 HydrophobicContact CD-CE2 4.2Å; K161-Y175 HydrophobicContact CG-CD2 4.25Å; K161-Y175 HydrophobicContact CG-CE1 4.49Å; K161-Y175 HydrophobicContact CG-CE2 3.66Å; T163-Y175 WeakPolarHBondContact CA-O 3.45Å; G164-Y175 PolarHBondContact N-O 3.44Å; S165-Y175 WeakPolarHBondContact O-CD2 3.44Å; S165-Y175 PolarHBondContact O-N 2.95Å; S165-Y175 WeakPolarHBondContact OG-CD2 3.33Å; C167-Y175 HydrophobicContact CB-CD2 4.5Å; C167-Y175 HydrophobicContact CB-CE2 3.87Å; C167-Y175 PolarHBondContact SG-OH 3.46Å; Y175-L177 VanDerWaalsContact C-N 3.34Å; Y175-V179 HydrophobicContact CD1-CB 4.19Å; Y175-V179 HydrophobicContact CD1-CG2 3.68Å; Y175-V179 HydrophobicContact CE1-CB 4.33Å; Y175-V179 HydrophobicContact CE1-CG2 4.12Å; Y175-R214 PolarHBondContact OH-NH2 2.85Å; Y175-R214 VanDerWaalsContact OH-NH2 3.14Å; Y175-G244 VanDerWaalsContact CE1-O 3.29Å; Y175-G244 WeakPolarHBondContact CE1-O 3.48Å; Y175-V245 HydrophobicContact CD1-CB 4.44Å
176Q95.6Very high90.6Very high83 Ų8343.2 Ų43.239%0.38825%0.245SC..SBendtrans-92.25-171.2-55.7-70.3-68.400113.6S174 V245 G246 H247 R251S174-Q176 PolarHBondContact O-N 3.38Å; S174-Q176 PolarHBondContact O-NE2 3.19Å; Q176-V245 HydrophobicContact CG-CG2 4.31Å; Q176-V245 PolarHBondContact N-O 2.97Å; Q176-G246 WeakPolarHBondContact CB-O 3.5Å; Q176-H247 VanDerWaalsContact CD-CE1 3.47Å; Q176-H247 PolarHBondContact OE1-ND1 3.06Å; Q176-R251 PolarHBondContact O-NH2 2.88Å
177L96Very high90.7Very high4 Ų441.4 Ų41.42%0.02123%0.233CC..SBendtrans-168.2167.4175.673.1178.1000108.2T163 Y175 V179 V242T163-L177 VanDerWaalsContact OG1-C 3.29Å; Y175-L177 VanDerWaalsContact C-N 3.34Å; L177-V179 HydrophobicContact CD2-CG2 3.64Å; L177-V179 HydrophobicContact CG-CG2 4.09Å; L177-V179 PolarHBondContact O-N 2.83Å; L177-V242 HydrophobicContact CD1-CG2 4.2Å; L177-V242 HydrophobicContact CD2-CG1 4.5Å; L177-V242 HydrophobicContact CD2-CG2 4.26Å
178P97.1Very high90.8Very high0 Ų046 Ų460%025%0.253CS..  trans-68.8122.3170.3-1430.1000109.2V160 T163 F206 E208 L211 G212V160-P178 HydrophobicContact CG1-CB 4.22Å; T163-P178 WeakPolarHBondContact OG1-CD 3.13Å; T163-P178 WeakPolarHBondContact OG1-CG 3.24Å; P178-F206 HydrophobicContact CB-CD1 3.7Å; P178-F206 HydrophobicContact CB-CD2 4.08Å; P178-F206 HydrophobicContact CB-CE1 3.8Å; P178-F206 HydrophobicContact CB-CE2 4.18Å; P178-F206 HydrophobicContact CB-CG 3.87Å; P178-F206 HydrophobicContact CB-CZ 4.06Å; P178-F206 HydrophobicContact CG-CB 4.24Å; P178-F206 HydrophobicContact CG-CD1 3.49Å; P178-F206 VanDerWaalsContact CG-CD1 3.49Å; P178-F206 HydrophobicContact CG-CE1 3.99Å; P178-F206 HydrophobicContact CG-CG 3.81Å; P178-E208 HydrophobicContact CG-CG 4.28Å; P178-E208 VanDerWaalsContact CG-OE1 3.27Å; P178-E208 WeakPolarHBondContact CG-OE1 3.31Å; P178-L211 HydrophobicContact CB-CD2 4.26Å; P178-L211 HydrophobicContact CG-CD2 3.82Å; P178-G212 PolarHBondContact O-N 3.48Å
179V97.1Very high91.3Very high1 Ų142.9 Ų42.91%0.00623%0.225CC..EExtended strand (participates in β ladder)trans-112115.3178.5-177.10000110V160 K161 Y175 L177 D181 G212 R214 V242V160-V179 CarbonylContact C-O 3.48Å; V160-V179 VanDerWaalsContact CA-O 3.28Å; V160-V179 WeakPolarHBondContact CA-O 3.46Å; V160-V179 WeakPolarHBondContact CG1-O 3.49Å; K161-V179 PolarHBondContact N-O 3.37Å; K161-V179 PolarHBondContact O-N 3.07Å; Y175-V179 HydrophobicContact CD1-CB 4.19Å; Y175-V179 HydrophobicContact CD1-CG2 3.68Å; Y175-V179 HydrophobicContact CE1-CB 4.33Å; Y175-V179 HydrophobicContact CE1-CG2 4.12Å; L177-V179 HydrophobicContact CD2-CG2 3.64Å; L177-V179 HydrophobicContact CG-CG2 4.09Å; L177-V179 PolarHBondContact O-N 2.83Å; V179-D181 PolarHBondContact O-N 2.86Å; V179-D181 VanDerWaalsContact O-N 3.15Å; V179-G212 CarbonylContact C-O 3.57Å; V179-G212 WeakPolarHBondContact CA-O 3.15Å; V179-R214 HydrophobicContact CG1-CB 4.29Å; V179-V242 HydrophobicContact CG1-CB 4.37Å; V179-V242 HydrophobicContact CG1-CG1 4.28Å; V179-V242 HydrophobicContact CG2-CB 4.44Å; V179-V242 HydrophobicContact CG2-CG1 3.87Å
180L97.3Very high91.6Very high0 Ų043.4 Ų43.40%022%0.215CC..EExtended strand (participates in β ladder)trans-63.6112.4166.7-154177.2000107.9Y158 T182 M183 L199 F202 G212 L213 R214 M221Y158-L180 HydrophobicContact CD2-CD2 4.34Å; Y158-L180 HydrophobicContact CD2-CG 4.13Å; L180-T182 VanDerWaalsContact CD2-O 3.23Å; L180-T182 WeakPolarHBondContact CD2-O 3.45Å; L180-M183 HydrophobicContact CD1-CE 3.69Å; L180-M183 HydrophobicContact CD2-CB 4.2Å; L180-L199 HydrophobicContact CD1-CD1 4.5Å; L180-F202 HydrophobicContact CB-CD1 4.3Å; L180-F202 HydrophobicContact CB-CD2 4.15Å; L180-F202 HydrophobicContact CB-CE1 4.02Å; L180-F202 HydrophobicContact CB-CE2 3.88Å; L180-F202 HydrophobicContact CB-CG 4.36Å; L180-F202 HydrophobicContact CB-CZ 3.81Å; L180-F202 HydrophobicContact CD1-CB 3.99Å; L180-F202 HydrophobicContact CD1-CD1 3.87Å; L180-F202 HydrophobicContact CD1-CD2 4.19Å; L180-F202 HydrophobicContact CD1-CE1 4.4Å; L180-F202 HydrophobicContact CD1-CG 3.75Å; L180-F202 HydrophobicContact CG-CD1 4.47Å; L180-F202 HydrophobicContact CG-CD2 4.1Å; L180-F202 HydrophobicContact CG-CE2 4.34Å; L180-F202 HydrophobicContact CG-CG 4.18Å; L180-G212 PolarHBondContact N-O 2.96Å; L180-L213 HydrophobicContact CB-CD2 3.69Å; L180-L213 HydrophobicContact CD1-CD2 3.88Å; L180-L213 HydrophobicContact CG-CD2 4.42Å; L180-R214 WeakPolarHBondContact O-CB 3.39Å; L180-R214 PolarHBondContact O-N 2.99Å; L180-M221 HydrophobicContact CD1-CE 3.93Å; L180-M221 HydrophobicContact CD1-SD 4.26Å; L180-M221 HydrophobicContact CD2-CE 3.64Å; L180-M221 HydrophobicContact CG-CE 4.29Å
181D94.5Very high91.4Very high24 Ų2443.4 Ų43.413%0.12824%0.238CC..EExtended strand (participates in β ladder)trans-91.4-60.5-165.4179-36.8000110.7S159 K161 V179 R214S159-D181 PolarHBondContact O-N 2.93Å; K161-D181 WeakPolarHBondContact CE-OD2 3.45Å; K161-D181 HydrophobicContact CG-CB 4.2Å; K161-D181 VanDerWaalsContact CG-OD2 3.25Å; K161-D181 WeakPolarHBondContact CG-OD2 3.37Å; V179-D181 PolarHBondContact O-N 2.86Å; V179-D181 VanDerWaalsContact O-N 3.15Å; D181-R214 IonicContact OD1-CZ 2.83Å; D181-R214 IonicContact OD1-NH1 2.67Å; D181-R214 PolarHBondContact OD1-NH1 3.05Å; D181-R214 IonicContact OD1-NH2 2.77Å; D181-R214 IonicContact OD2-CZ 3.36Å; D181-R214 IonicContact OD2-NH1 2.74Å; D181-R214 PolarHBondContact OD2-NH1 3.29Å; D181-R214 IonicContact OD2-NH2 2.85Å; D181-R214 PolarHBondContact OD2-NH2 2.83Å
182T94.6Very high91.5Very high4 Ų442.2 Ų42.23%0.02523%0.227CC..EExtended strand (participates in β ladder)trans-122.7146.117764.80000110.3F136 H139 F157 Y158 S159 L180F136-T182 HydrophobicContact CB-CG2 3.9Å; F136-T182 HydrophobicContact CD1-CG2 3.58Å; F136-T182 HydrophobicContact CD2-CG2 4.35Å; F136-T182 HydrophobicContact CE1-CG2 4.22Å; F136-T182 HydrophobicContact CG-CG2 3.68Å; H139-T182 PolarHBondContact NE2-OG1 2.68Å; F157-T182 WeakPolarHBondContact CE2-OG1 2.89Å; Y158-T182 CarbonylContact C-O 3.55Å; Y158-T182 WeakPolarHBondContact CA-O 3.25Å; Y158-T182 WeakPolarHBondContact CB-O 3.29Å; S159-T182 WeakPolarHBondContact CB-OG1 3.34Å; S159-T182 PolarHBondContact N-O 3.22Å; S159-T182 PolarHBondContact OG-N 2.78Å; S159-T182 PolarHBondContact OG-OG1 2.85Å; L180-T182 VanDerWaalsContact CD2-O 3.23Å; L180-T182 WeakPolarHBondContact CD2-O 3.45Å
183M95.6Very high91.8Very high6 Ų640.2 Ų40.23%0.0321%0.211CC..EExtended strand (participates in β ladder)trans-141121.8167.5-173.7-171.6-74.100108.8L180 M198 L199 L220 M221L180-M183 HydrophobicContact CD1-CE 3.69Å; L180-M183 HydrophobicContact CD2-CB 4.2Å; M183-M198 HydrophobicContact CE-CB 3.71Å; M183-M198 HydrophobicContact CG-SD 3.72Å; M183-M198 HydrophobicContact SD-CB 4.15Å; M183-M198 HydrophobicContact SD-SD 4.1Å; M183-L199 HydrophobicContact CE-CB 4.46Å; M183-L220 HydrophobicContact CG-CD2 3.85Å; M183-L220 HydrophobicContact SD-CD2 3.93Å; M183-L220 HydrophobicContact SD-CG 4Å; M183-M221 HydrophobicContact CB-CE 3.72Å; M183-M221 HydrophobicContact CE-CE 3.85Å; M183-M221 HydrophobicContact CE-SD 3.79Å; M183-M221 HydrophobicContact SD-CE 4.28Å; M183-M221 HydrophobicContact SD-SD 4.35Å
184F96Very high91.9Very high5 Ų538.2 Ų38.22%0.02220%0.202CC..EExtended strand (participates in β ladder)trans-127.9136.2179.6173.8-113.1000110.9L119 I123 Y124 E128 F136 G156 F157 R186L119-F184 HydrophobicContact CD2-CE1 4.42Å; I123-F184 HydrophobicContact CG2-CE1 4.36Å; I123-F184 HydrophobicContact CG2-CZ 4.23Å; Y124-F184 AromaticContact CD2-CD2 3.53Å; Y124-F184 HydrophobicContact CD2-CD2 3.53Å; Y124-F184 AromaticContact CD2-CE2 3.67Å; Y124-F184 HydrophobicContact CD2-CE2 3.67Å; Y124-F184 HydrophobicContact CD2-CG 4.42Å; Y124-F184 HydrophobicContact CE2-CD2 4.42Å; Y124-F184 HydrophobicContact CG-CD2 4.01Å; Y124-F184 HydrophobicContact CG-CE2 4.15Å; E128-F184 HydrophobicContact CB-CE2 4.18Å; E128-F184 HydrophobicContact CB-CZ 4.19Å; F136-F184 HydrophobicContact CE2-CB 4.21Å; G156-F184 CarbonylContact C-O 3.39Å; G156-F184 WeakPolarHBondContact CA-O 3.39Å; F157-F184 HydrophobicContact CD1-CB 4.01Å; F157-F184 AromaticContact CD1-CD1 3.9Å; F157-F184 HydrophobicContact CD1-CD1 3.9Å; F157-F184 HydrophobicContact CD1-CG 4.44Å; F157-F184 HydrophobicContact CE1-CB 3.57Å; F157-F184 AromaticContact CE1-CD1 3.55Å; F157-F184 HydrophobicContact CE1-CD1 3.55Å; F157-F184 AromaticContact CE1-CG 3.91Å; F157-F184 HydrophobicContact CE1-CG 3.91Å; F157-F184 HydrophobicContact CE2-CB 4.17Å; F157-F184 HydrophobicContact CG-CB 4.5Å; F157-F184 HydrophobicContact CZ-CB 3.65Å; F157-F184 HydrophobicContact CZ-CD1 4.42Å; F157-F184 HydrophobicContact CZ-CG 4.35Å; F157-F184 PolarHBondContact N-O 2.55Å; F157-F184 PolarHBondContact O-N 2.79Å; F184-R186 HydrophobicContact CE1-CG 3.77Å; F184-R186 HydrophobicContact CZ-CG 3.91Å
185L95.9Very high92Very high3 Ų336.5 Ų36.52%0.01619%0.191CC..EExtended strand (participates in β ladder)trans-135.1129.3170.5-82166.3000109.7L148 R190 F194 M198 L220L148-L185 HydrophobicContact CD2-CD2 3.82Å; L185-R190 PolarHBondContact O-NE 2.92Å; L185-F194 HydrophobicContact CD1-CB 3.64Å; L185-F194 HydrophobicContact CD2-CB 3.77Å; L185-F194 HydrophobicContact CD2-CD2 4.43Å; L185-F194 HydrophobicContact CD2-CG 4.45Å; L185-F194 HydrophobicContact CG-CB 4.41Å; L185-M198 HydrophobicContact CD1-SD 3.95Å; L185-M198 HydrophobicContact CD2-CE 3.64Å; L185-M198 HydrophobicContact CD2-SD 4.07Å; L185-M198 HydrophobicContact CG-CE 3.93Å; L185-M198 HydrophobicContact CG-SD 3.82Å; L185-L220 HydrophobicContact CB-CD2 4.02Å; L185-L220 HydrophobicContact CD1-CD1 3.92Å; L185-L220 HydrophobicContact CD1-CD2 3.99Å; L185-L220 HydrophobicContact CG-CD2 4.16Å
186R95.1Very high92Very high11 Ų1136.7 Ų36.74%0.04219%0.192CC..  trans-57.5139-179.3-69.4-175.881.11759.4110.6D91 I123 E128 E153 I155 F184 K188 C189 R190D91-R186 IonicContact OD1-CZ 2.71Å; D91-R186 IonicContact OD1-NH1 3.15Å; D91-R186 IonicContact OD1-NH2 3.71Å; D91-R186 PolarHBondContact OD1-NH2 3.06Å; I123-R186 HydrophobicContact CG2-CG 4.2Å; E128-R186 WeakPolarHBondContact OE1-CG 3.42Å; E128-R186 IonicContact OE1-NE 2.75Å; E128-R186 PolarHBondContact OE1-NE 2.89Å; E128-R186 WeakPolarHBondContact OE2-CA 3.49Å; E153-R186 IonicContact OE1-NH1 3.59Å; E153-R186 PolarHBondContact OE1-NH1 3.1Å; I155-R186 PolarHBondContact O-N 3Å; F184-R186 HydrophobicContact CE1-CG 3.77Å; F184-R186 HydrophobicContact CZ-CG 3.91Å; R186-K188 VanDerWaalsContact C-N 3.26Å; R186-K188 HydrophobicContact CB-CG 4.16Å; R186-K188 PolarHBondContact O-N 3.37Å; R186-C189 CarbonylContact O-C 3.57Å; R186-C189 WeakPolarHBondContact O-CA 3.45Å; R186-C189 WeakPolarHBondContact O-CB 3.36Å; R186-C189 PolarHBondContact O-N 2.71Å; R186-R190 PolarHBondContact O-N 3.14Å
187K91.3Very high92.1Very high80 Ų8036.7 Ų36.735%0.34819%0.192SC..G310 helixtrans-53-40.2-175.9-82.3172.6163166.10111.7E128 E130 C189 R190E128-K187 HydrophobicContact CB-CD 4.11Å; E128-K187 HydrophobicContact CB-CG 4.49Å; E128-K187 HydrophobicContact CG-CD 4.34Å; E128-K187 WeakPolarHBondContact O-CE 3.47Å; E128-K187 PolarHBondContact O-NZ 2.69Å; E128-K187 PolarHBondContact OE2-N 3.44Å; E130-K187 WeakPolarHBondContact OE1-CE 3.45Å; E130-K187 IonicContact OE1-NZ 2.66Å; E130-K187 PolarHBondContact OE1-NZ 3.19Å; E130-K187 IonicContact OE2-NZ 2.73Å; E130-K187 PolarHBondContact OE2-NZ 3.3Å; K187-C189 PolarHBondContact O-N 3.26Å; K187-C189 VanDerWaalsContact O-N 3.1Å; K187-R190 VanDerWaalsContact CG-CZ 3.48Å; K187-R190 PolarHBondContact O-N 3.27Å
188K89Confident92.1Very high102 Ų10236.5 Ų36.544%0.44319%0.191SC..G310 helixtrans-60.3-15.5172.358.4171.7172.1174.20115.5E153 R186 K192E153-K188 IonicContact OE1-NZ 2.69Å; E153-K188 PolarHBondContact OE1-NZ 3.09Å; E153-K188 IonicContact OE2-NZ 3.57Å; E153-K188 PolarHBondContact OE2-NZ 2.98Å; R186-K188 VanDerWaalsContact C-N 3.26Å; R186-K188 HydrophobicContact CB-CG 4.16Å; R186-K188 PolarHBondContact O-N 3.37Å; K188-K192 PolarHBondContact O-NZ 2.95Å
189C87.6Confident92.2Very high16 Ų1636.5 Ų36.511%0.10819%0.191CC..G310 helixtrans-115.1-3.7-177.7-72.80000114.4I155 R186 K187 F194I155-C189 HydrophobicContact CB-CB 4.25Å; I155-C189 HydrophobicContact CD1-CB 4.24Å; R186-C189 CarbonylContact O-C 3.57Å; R186-C189 WeakPolarHBondContact O-CA 3.45Å; R186-C189 WeakPolarHBondContact O-CB 3.36Å; R186-C189 PolarHBondContact O-N 2.71Å; K187-C189 PolarHBondContact O-N 3.26Å; K187-C189 VanDerWaalsContact O-N 3.1Å; C189-F194 HydrophobicContact CB-CD2 4.05Å; C189-F194 HydrophobicContact CB-CE2 3.91Å; C189-F194 VanDerWaalsContact O-CD2 3.24Å; C189-F194 WeakPolarHBondContact O-CD2 3.24Å
190R83.9Confident92.2Very high97 Ų9737.5 Ų37.537%0.36620%0.196SC..THydrogen-bonded Turntrans-62.6154.1173.1-63.3180-174-1792110.6E130 L185 R186 K187E130-R190 IonicContact OE1-CZ 2.69Å; E130-R190 IonicContact OE1-NH1 3.3Å; E130-R190 PolarHBondContact OE1-NH1 2.91Å; E130-R190 IonicContact OE1-NH2 2.68Å; L185-R190 PolarHBondContact O-NE 2.92Å; R186-R190 PolarHBondContact O-N 3.14Å; K187-R190 VanDerWaalsContact CG-CZ 3.48Å; K187-R190 PolarHBondContact O-N 3.27Å
191G74.8Confident92.2Very high84 Ų8439.1 Ų39.187%0.86620%0.204SC*.THydrogen-bonded Turntrans75.323.7179.800000116.1
192K76.8Confident92.3Very high115 Ų11538 Ų3850%0.520%0.198SC..SBendtrans-130.333.7-176.5-64.8166.9-175.5163.40112.3K188 F194K188-K192 PolarHBondContact O-NZ 2.95Å; K192-F194 HydrophobicContact CB-CD2 3.87Å; K192-F194 HydrophobicContact CB-CE2 3.52Å; K192-F194 HydrophobicContact CB-CZ 3.94Å; K192-F194 HydrophobicContact CD-CE2 3.94Å; K192-F194 HydrophobicContact CD-CZ 4.47Å; K192-F194 HydrophobicContact CG-CE2 4.36Å; K192-F194 PolarHBondContact O-N 2.74Å
193D89.3Confident92.4Very high94 Ų9438.2 Ų38.250%0.50320%0.2SC..SBendtrans536.9-179.6-54.7-31.8000117.5G195 L196 H197 Q227D193-G195 PolarHBondContact O-N 3.48Å; D193-L196 WeakPolarHBondContact O-CB 3.1Å; D193-L196 PolarHBondContact O-N 2.92Å; D193-H197 PolarHBondContact O-N 3.44Å; D193-Q227 PolarHBondContact OD1-NE2 3.42Å
194F94.9Very high92.4Very high20 Ų2040.5 Ų40.59%0.08821%0.212CC..Hα-helixtrans-60.1-29.9176.9-58.8-46.1000113.7L148 K150 I155 L185 C189 K192 H197 M198L148-F194 HydrophobicContact CD2-CB 3.73Å; L148-F194 HydrophobicContact CD2-CD1 3.91Å; L148-F194 HydrophobicContact CD2-CG 3.83Å; K150-F194 HydrophobicContact CD-CE1 3.73Å; K150-F194 HydrophobicContact CD-CZ 3.48Å; K150-F194 VanDerWaalsContact CD-CZ 3.48Å; I155-F194 HydrophobicContact CD1-CD1 4.36Å; I155-F194 HydrophobicContact CD1-CD2 3.78Å; I155-F194 HydrophobicContact CD1-CE1 4.18Å; I155-F194 HydrophobicContact CD1-CE2 3.57Å; I155-F194 HydrophobicContact CD1-CG 4.19Å; I155-F194 HydrophobicContact CD1-CZ 3.81Å; L185-F194 HydrophobicContact CD1-CB 3.64Å; L185-F194 HydrophobicContact CD2-CB 3.77Å; L185-F194 HydrophobicContact CD2-CD2 4.43Å; L185-F194 HydrophobicContact CD2-CG 4.45Å; L185-F194 HydrophobicContact CG-CB 4.41Å; C189-F194 HydrophobicContact CB-CD2 4.05Å; C189-F194 HydrophobicContact CB-CE2 3.91Å; C189-F194 VanDerWaalsContact O-CD2 3.24Å; C189-F194 WeakPolarHBondContact O-CD2 3.24Å; K192-F194 HydrophobicContact CB-CD2 3.87Å; K192-F194 HydrophobicContact CB-CE2 3.52Å; K192-F194 HydrophobicContact CB-CZ 3.94Å; K192-F194 HydrophobicContact CD-CE2 3.94Å; K192-F194 HydrophobicContact CD-CZ 4.47Å; K192-F194 HydrophobicContact CG-CE2 4.36Å; K192-F194 PolarHBondContact O-N 2.74Å; F194-H197 PolarHBondContact O-N 3.41Å; F194-M198 WeakPolarHBondContact O-CB 3.28Å; F194-M198 WeakPolarHBondContact O-CG 3.46Å; F194-M198 PolarHBondContact O-N 3.28Å
195G94.8Very high92.4Very high6 Ų641.6 Ų41.66%0.06222%0.221CC..Hα-helixtrans-67.2-44.6176.100000111.8D193 M198 L199 A224D193-G195 PolarHBondContact O-N 3.48Å; G195-M198 PolarHBondContact O-N 3.37Å; G195-L199 PolarHBondContact O-N 3.1Å; G195-L199 VanDerWaalsContact O-N 3.08Å; G195-A224 VanDerWaalsContact C-CB 3.48Å; G195-A224 WeakPolarHBondContact O-CB 3.12Å
196L95.8Very high92.2Very high15 Ų1542 Ų428%0.07922%0.222CC..Hα-helixtrans-58.5-49.5169.417463.5000110.4D193 M198 L199 E200 Q227 Y228 K231D193-L196 WeakPolarHBondContact O-CB 3.1Å; D193-L196 PolarHBondContact O-N 2.92Å; L196-M198 VanDerWaalsContact C-N 3.32Å; L196-M198 PolarHBondContact O-N 3.07Å; L196-L199 CarbonylContact O-C 3.56Å; L196-L199 WeakPolarHBondContact O-CA 3.3Å; L196-L199 WeakPolarHBondContact O-CB 3.35Å; L196-L199 PolarHBondContact O-N 3.2Å; L196-E200 HydrophobicContact CD1-CG 3.91Å; L196-E200 HydrophobicContact CG-CG 4.13Å; L196-E200 WeakPolarHBondContact O-CG 3.39Å; L196-E200 PolarHBondContact O-N 3.4Å; L196-Q227 HydrophobicContact CB-CB 4.3Å; L196-Q227 HydrophobicContact CD1-CB 4.23Å; L196-Q227 HydrophobicContact CD2-CB 4.12Å; L196-Q227 HydrophobicContact CG-CB 4.45Å; L196-Y228 HydrophobicContact CD1-CD2 4.12Å; L196-Y228 HydrophobicContact CD1-CG 4.43Å; L196-K231 HydrophobicContact CD2-CD 4.08Å
197H96.1Very high92.1Very high83 Ų8344.8 Ų44.838%0.38424%0.241SC..Hα-helixtrans-60.2-37.7-178.9-176.6-134.4000113.3D193 F194 D201D193-H197 PolarHBondContact O-N 3.44Å; F194-H197 PolarHBondContact O-N 3.41Å; H197-D201 VanDerWaalsContact O-CB 3.31Å; H197-D201 WeakPolarHBondContact O-CB 2.96Å; H197-D201 PolarHBondContact O-N 3.11Å
198M97.6Very high92.1Very high0 Ų043.3 Ų43.30%024%0.235CC..Hα-helixtrans-65.5-39.1171.9-75.2174.4161.100112.5L104 L148 Y158 M183 L185 F194 G195 L196 F202L104-M198 HydrophobicContact CD1-CG 4.2Å; L104-M198 HydrophobicContact CD2-CG 4.18Å; L148-M198 HydrophobicContact CB-CE 3.62Å; L148-M198 HydrophobicContact CD2-CE 4.04Å; L148-M198 HydrophobicContact CG-CE 4.49Å; Y158-M198 HydrophobicContact CD1-CB 4.27Å; Y158-M198 HydrophobicContact CD1-CG 4.28Å; M183-M198 HydrophobicContact CE-CB 3.71Å; M183-M198 HydrophobicContact CG-SD 3.72Å; M183-M198 HydrophobicContact SD-CB 4.15Å; M183-M198 HydrophobicContact SD-SD 4.1Å; L185-M198 HydrophobicContact CD1-SD 3.95Å; L185-M198 HydrophobicContact CD2-CE 3.64Å; L185-M198 HydrophobicContact CD2-SD 4.07Å; L185-M198 HydrophobicContact CG-CE 3.93Å; L185-M198 HydrophobicContact CG-SD 3.82Å; F194-M198 WeakPolarHBondContact O-CB 3.28Å; F194-M198 WeakPolarHBondContact O-CG 3.46Å; F194-M198 PolarHBondContact O-N 3.28Å; G195-M198 PolarHBondContact O-N 3.37Å; L196-M198 VanDerWaalsContact C-N 3.32Å; L196-M198 PolarHBondContact O-N 3.07Å; M198-F202 WeakPolarHBondContact O-CB 3.17Å; M198-F202 PolarHBondContact O-N 3.23Å
199L97.4Very high92.3Very high0 Ų043.8 Ų43.80%024%0.242CC..Hα-helixtrans-70.8-38.7177.1-177.758.1000111.9L180 M183 G195 L196 F202 V203 L213 A224 C225 Y228 L239L180-L199 HydrophobicContact CD1-CD1 4.5Å; M183-L199 HydrophobicContact CE-CB 4.46Å; G195-L199 PolarHBondContact O-N 3.1Å; G195-L199 VanDerWaalsContact O-N 3.08Å; L196-L199 CarbonylContact O-C 3.56Å; L196-L199 WeakPolarHBondContact O-CA 3.3Å; L196-L199 WeakPolarHBondContact O-CB 3.35Å; L196-L199 PolarHBondContact O-N 3.2Å; L199-F202 HydrophobicContact CD1-CD1 4.21Å; L199-F202 PolarHBondContact O-N 3.29Å; L199-V203 WeakPolarHBondContact O-CG2 3.34Å; L199-V203 PolarHBondContact O-N 2.99Å; L199-L213 HydrophobicContact CD1-CD1 4.35Å; L199-L213 HydrophobicContact CD1-CD2 3.88Å; L199-A224 HydrophobicContact CB-CB 4.34Å; L199-A224 HydrophobicContact CD2-CB 4.02Å; L199-C225 HydrophobicContact CD2-CB 4.48Å; L199-Y228 HydrophobicContact CD2-CD2 4.1Å; L199-Y228 HydrophobicContact CD2-CG 4.03Å; L199-Y228 HydrophobicContact CG-CD2 4Å; L199-Y228 HydrophobicContact CG-CG 4.4Å; L199-L239 HydrophobicContact CD1-CD1 4.29Å; L199-L239 HydrophobicContact CD1-CD2 4.33Å; L199-L239 HydrophobicContact CD2-CD1 4.31Å
200E97.1Very high92.6Very high22 Ų2243.9 Ų43.910%0.10325%0.245CC..Hα-helixtrans-62.4-48.2173.2-70.6-176.2119.300111.8L196 F202 V203 D204 Y228 K231 Y232L196-E200 HydrophobicContact CD1-CG 3.91Å; L196-E200 HydrophobicContact CG-CG 4.13Å; L196-E200 WeakPolarHBondContact O-CG 3.39Å; L196-E200 PolarHBondContact O-N 3.4Å; E200-F202 VanDerWaalsContact C-N 3.34Å; E200-F202 PolarHBondContact O-N 3.27Å; E200-V203 PolarHBondContact O-N 3.03Å; E200-D204 WeakPolarHBondContact O-CB 3.42Å; E200-D204 PolarHBondContact O-N 2.84Å; E200-Y228 HydrophobicContact CG-CD2 4.25Å; E200-Y228 HydrophobicContact CG-CE2 4.4Å; E200-K231 VanDerWaalsContact OE1-CE 3.28Å; E200-K231 WeakPolarHBondContact OE1-CE 3.49Å; E200-K231 IonicContact OE1-NZ 3.84Å; E200-K231 PolarHBondContact OE1-NZ 2.87Å; E200-K231 IonicContact OE2-NZ 2.66Å; E200-K231 PolarHBondContact OE2-NZ 3.24Å; E200-Y232 HydrophobicContact CG-CE2 4.16Å; E200-Y232 VanDerWaalsContact OE1-CE2 3.24Å; E200-Y232 WeakPolarHBondContact OE1-CE2 3.43Å; E200-Y232 PolarHBondContact OE1-OH 3.2Å
201D97.7Very high93.3Very high34 Ų3439.4 Ų39.418%0.18223%0.228CC..Hα-helixtrans-67.8-31.8177.6171.866.8000112.3L104 K146 Y158 H197 S205L104-D201 HydrophobicContact CD1-CB 3.54Å; L104-D201 WeakPolarHBondContact CD1-OD2 3.47Å; K146-D201 VanDerWaalsContact CD-OD2 3.28Å; K146-D201 WeakPolarHBondContact CD-OD2 3.46Å; K146-D201 IonicContact NZ-OD1 3.28Å; K146-D201 PolarHBondContact NZ-OD1 3.02Å; K146-D201 IonicContact NZ-OD2 2.91Å; K146-D201 PolarHBondContact NZ-OD2 3.5Å; Y158-D201 WeakPolarHBondContact CE1-OD2 3.32Å; Y158-D201 PolarHBondContact OH-OD2 3.09Å; Y158-D201 VanDerWaalsContact OH-OD2 3.13Å; H197-D201 VanDerWaalsContact O-CB 3.31Å; H197-D201 WeakPolarHBondContact O-CB 2.96Å; H197-D201 PolarHBondContact O-N 3.11Å; D201-S205 VanDerWaalsContact O-CB 3.27Å; D201-S205 WeakPolarHBondContact O-CB 3.38Å; D201-S205 PolarHBondContact O-N 2.82Å; D201-S205 VanDerWaalsContact O-N 3.09Å; D201-S205 PolarHBondContact O-OG 3.16Å
202F97.7Very high94.4Very high0 Ų035.4 Ų35.40%019%0.186CC..Hα-helixtrans-61-51.3167.1169.2-108.7000111.3Y158 V160 L180 M198 L199 E200 S205 F206 L211 L213Y158-F202 HydrophobicContact CE2-CB 4.16Å; Y158-F202 HydrophobicContact CE2-CD2 4.17Å; V160-F202 HydrophobicContact CG1-CE2 3.93Å; V160-F202 HydrophobicContact CG2-CD2 3.74Å; V160-F202 HydrophobicContact CG2-CE2 3.78Å; L180-F202 HydrophobicContact CB-CD1 4.3Å; L180-F202 HydrophobicContact CB-CD2 4.15Å; L180-F202 HydrophobicContact CB-CE1 4.02Å; L180-F202 HydrophobicContact CB-CE2 3.88Å; L180-F202 HydrophobicContact CB-CG 4.36Å; L180-F202 HydrophobicContact CB-CZ 3.81Å; L180-F202 HydrophobicContact CD1-CB 3.99Å; L180-F202 HydrophobicContact CD1-CD1 3.87Å; L180-F202 HydrophobicContact CD1-CD2 4.19Å; L180-F202 HydrophobicContact CD1-CE1 4.4Å; L180-F202 HydrophobicContact CD1-CG 3.75Å; L180-F202 HydrophobicContact CG-CD1 4.47Å; L180-F202 HydrophobicContact CG-CD2 4.1Å; L180-F202 HydrophobicContact CG-CE2 4.34Å; L180-F202 HydrophobicContact CG-CG 4.18Å; M198-F202 WeakPolarHBondContact O-CB 3.17Å; M198-F202 PolarHBondContact O-N 3.23Å; L199-F202 HydrophobicContact CD1-CD1 4.21Å; L199-F202 PolarHBondContact O-N 3.29Å; E200-F202 VanDerWaalsContact C-N 3.34Å; E200-F202 PolarHBondContact O-N 3.27Å; F202-S205 WeakPolarHBondContact O-CB 3.42Å; F202-S205 PolarHBondContact O-N 3.01Å; F202-F206 AromaticContact CD2-CD2 3.87Å; F202-F206 HydrophobicContact CD2-CD2 3.87Å; F202-F206 AromaticContact CD2-CE2 3.76Å; F202-F206 HydrophobicContact CD2-CE2 3.76Å; F202-F206 AromaticContact CE2-CD2 3.71Å; F202-F206 HydrophobicContact CE2-CD2 3.71Å; F202-F206 AromaticContact CE2-CE2 3.65Å; F202-F206 HydrophobicContact CE2-CE2 3.65Å; F202-F206 HydrophobicContact CZ-CD2 4.45Å; F202-F206 WeakPolarHBondContact O-CD2 3.32Å; F202-L211 HydrophobicContact CE1-CB 3.87Å; F202-L211 HydrophobicContact CE1-CD1 4.26Å; F202-L211 HydrophobicContact CZ-CB 4.1Å; F202-L213 HydrophobicContact CD1-CD2 4.3Å; F202-L213 HydrophobicContact CE1-CD2 3.94Å
203V96.9Very high95.4Very high10 Ų1029.9 Ų29.96%0.06116%0.163CC..Hα-helixtrans-61.8-47.2179.1171.60000111.8L199 E200 S205 F206 L211 Y228 L238 L239 T326L199-V203 WeakPolarHBondContact O-CG2 3.34Å; L199-V203 PolarHBondContact O-N 2.99Å; E200-V203 PolarHBondContact O-N 3.03Å; V203-S205 PolarHBondContact O-N 3.44Å; V203-F206 PolarHBondContact O-N 2.91Å; V203-L211 HydrophobicContact CB-CD1 4.27Å; V203-L211 HydrophobicContact CG1-CD1 4.27Å; V203-L211 HydrophobicContact CG2-CD1 4.02Å; V203-Y228 HydrophobicContact CB-CE2 4.43Å; V203-Y228 HydrophobicContact CG2-CE2 3.98Å; V203-L238 HydrophobicContact CG1-CD2 3.73Å; V203-L239 HydrophobicContact CG2-CD2 3.97Å; V203-T326 HydrophobicContact CG1-CG2 4.39Å
204D95.4Very high95.7Very high53 Ų5328.9 Ų28.928%0.28315%0.152SC..Hα-helixtrans-63.3-22.6178.6-77-27.2000113.1E200 R329E200-D204 WeakPolarHBondContact O-CB 3.42Å; E200-D204 PolarHBondContact O-N 2.84Å; D204-R329 IonicContact OD1-CZ 3.15Å; D204-R329 IonicContact OD1-NH1 2.74Å; D204-R329 PolarHBondContact OD1-NH1 3.15Å; D204-R329 IonicContact OD2-CZ 3.98Å; D204-R329 IonicContact OD2-NH1 2.63Å; D204-R329 PolarHBondContact OD2-NH1 3.4Å; D204-R329 IonicContact OD2-NH2 3.33Å; D204-R329 PolarHBondContact OD2-NH2 3.1Å
205S94.8Very high95.6Very high29 Ų2932.9 Ų32.920%0.20317%0.167CC..Hα-helixtrans-79-23.1179.7-65.20000114.2K146 D201 F202 V203K146-S205 PolarHBondContact NZ-OG 3.37Å; D201-S205 VanDerWaalsContact O-CB 3.27Å; D201-S205 WeakPolarHBondContact O-CB 3.38Å; D201-S205 PolarHBondContact O-N 2.82Å; D201-S205 VanDerWaalsContact O-N 3.09Å; D201-S205 PolarHBondContact O-OG 3.16Å; F202-S205 WeakPolarHBondContact O-CB 3.42Å; F202-S205 PolarHBondContact O-N 3.01Å; V203-S205 PolarHBondContact O-N 3.44Å
206F93.3Very high95.4Very high11 Ų1136.6 Ų36.65%0.04819%0.19CC..  trans-111168.2-176.9-69.2-76.3000111.8V160 P178 F202 V203 L211 I338V160-F206 HydrophobicContact CG1-CE2 3.99Å; V160-F206 HydrophobicContact CG1-CZ 3.85Å; V160-F206 HydrophobicContact CG2-CE2 4.23Å; P178-F206 HydrophobicContact CB-CD1 3.7Å; P178-F206 HydrophobicContact CB-CD2 4.08Å; P178-F206 HydrophobicContact CB-CE1 3.8Å; P178-F206 HydrophobicContact CB-CE2 4.18Å; P178-F206 HydrophobicContact CB-CG 3.87Å; P178-F206 HydrophobicContact CB-CZ 4.06Å; P178-F206 HydrophobicContact CG-CB 4.24Å; P178-F206 HydrophobicContact CG-CD1 3.49Å; P178-F206 VanDerWaalsContact CG-CD1 3.49Å; P178-F206 HydrophobicContact CG-CE1 3.99Å; P178-F206 HydrophobicContact CG-CG 3.81Å; F202-F206 AromaticContact CD2-CD2 3.87Å; F202-F206 HydrophobicContact CD2-CD2 3.87Å; F202-F206 AromaticContact CD2-CE2 3.76Å; F202-F206 HydrophobicContact CD2-CE2 3.76Å; F202-F206 AromaticContact CE2-CD2 3.71Å; F202-F206 HydrophobicContact CE2-CD2 3.71Å; F202-F206 AromaticContact CE2-CE2 3.65Å; F202-F206 HydrophobicContact CE2-CE2 3.65Å; F202-F206 HydrophobicContact CZ-CD2 4.45Å; F202-F206 WeakPolarHBondContact O-CD2 3.32Å; V203-F206 PolarHBondContact O-N 2.91Å; F206-L211 HydrophobicContact CB-CD1 4.35Å; F206-L211 HydrophobicContact CB-CD2 3.54Å; F206-L211 HydrophobicContact CG-CD2 4.25Å; F206-I338 HydrophobicContact CD1-CG2 4.15Å; F206-I338 HydrophobicContact CE1-CG2 3.86Å
207T91.5Very high95.2Very high70 Ų7037.2 Ų37.243%0.42919%0.193SC..  trans-129.6-13.2-168.466.70000113.8
208E92.8Very high94.9Very high48 Ų4834.7 Ų34.722%0.22419%0.185CC..SBendtrans-68.4145.9-179.2-66.989.4134.100112.1T163 P178 A210 L211T163-E208 PolarHBondContact OG1-OE1 3.35Å; P178-E208 HydrophobicContact CG-CG 4.28Å; P178-E208 VanDerWaalsContact CG-OE1 3.27Å; P178-E208 WeakPolarHBondContact CG-OE1 3.31Å; E208-A210 PolarHBondContact O-N 2.93Å; E208-L211 HydrophobicContact CB-CD2 4.2Å
209D91.8Very high94.4Very high112 Ų11239.3 Ų39.360%0.59922%0.217SC*.SBendtrans-73.4-10.2-175.9-55.6-60000114.1R327D209-R327 IonicContact OD1-CZ 2.71Å; D209-R327 IonicContact OD1-NH1 3.15Å; D209-R327 PolarHBondContact OD1-NH1 2.81Å; D209-R327 IonicContact OD1-NH2 2.93Å; D209-R327 PolarHBondContact OD1-NH2 3.16Å
210A95.3Very high94.1Very high19 Ų1941.3 Ų41.316%0.15723%0.228CC..  trans-141.2128.217600000109.7E208E208-A210 PolarHBondContact O-N 2.93Å
211L97.6Very high94Very high2 Ų240.7 Ų40.71%0.0123%0.225CC..EExtended strand (participates in β ladder)trans-120.2138.4179.8-57.6177.4000109.8P178 F202 V203 F206 E208 L238 L239 W240P178-L211 HydrophobicContact CB-CD2 4.26Å; P178-L211 HydrophobicContact CG-CD2 3.82Å; F202-L211 HydrophobicContact CE1-CB 3.87Å; F202-L211 HydrophobicContact CE1-CD1 4.26Å; F202-L211 HydrophobicContact CZ-CB 4.1Å; V203-L211 HydrophobicContact CB-CD1 4.27Å; V203-L211 HydrophobicContact CG1-CD1 4.27Å; V203-L211 HydrophobicContact CG2-CD1 4.02Å; F206-L211 HydrophobicContact CB-CD1 4.35Å; F206-L211 HydrophobicContact CB-CD2 3.54Å; F206-L211 HydrophobicContact CG-CD2 4.25Å; E208-L211 HydrophobicContact CB-CD2 4.2Å; L211-L238 HydrophobicContact CD1-CD1 4.26Å; L211-L238 HydrophobicContact CD1-CG 4.39Å; L211-L238 HydrophobicContact CG-CD1 4.16Å; L211-L238 PolarHBondContact N-O 3.06Å; L211-L239 HydrophobicContact CB-CD2 4.24Å; L211-W240 PolarHBondContact O-N 2.94Å
212G97.6Very high93.7Very high0 Ų040.6 Ų40.60%022%0.222CC..EExtended strand (participates in β ladder)trans-96.8145.5-176.900000112.9P178 V179 L180 W240P178-G212 PolarHBondContact O-N 3.48Å; V179-G212 CarbonylContact C-O 3.57Å; V179-G212 WeakPolarHBondContact CA-O 3.15Å; L180-G212 PolarHBondContact N-O 2.96Å; G212-W240 CarbonylContact C-O 3.54Å; G212-W240 WeakPolarHBondContact CA-O 3.3Å
213L97.5Very high93.5Very high0 Ų043.8 Ų43.80%024%0.242CC..EExtended strand (participates in β ladder)trans-122.2129.7164.8-53.4-179.5000106.9L180 L199 F202 Y215 L217 M221 C225 L239 W240 E241 V242 V254L180-L213 HydrophobicContact CB-CD2 3.69Å; L180-L213 HydrophobicContact CD1-CD2 3.88Å; L180-L213 HydrophobicContact CG-CD2 4.42Å; L199-L213 HydrophobicContact CD1-CD1 4.35Å; L199-L213 HydrophobicContact CD1-CD2 3.88Å; F202-L213 HydrophobicContact CD1-CD2 4.3Å; F202-L213 HydrophobicContact CE1-CD2 3.94Å; L213-Y215 PolarHBondContact O-N 3.14Å; L213-L217 HydrophobicContact CB-CD2 3.63Å; L213-L217 HydrophobicContact CD1-CD2 4.11Å; L213-M221 HydrophobicContact CD1-CG 4.03Å; L213-M221 HydrophobicContact CD1-SD 4.05Å; L213-M221 HydrophobicContact CD2-SD 4.05Å; L213-M221 HydrophobicContact CG-SD 4.49Å; L213-C225 WeakPolarHBondContact CD1-SG 3.46Å; L213-L239 HydrophobicContact CD2-CD2 4.48Å; L213-W240 PolarHBondContact N-O 2.75Å; L213-E241 CarbonylContact O-C 3.49Å; L213-E241 WeakPolarHBondContact O-CA 3.44Å; L213-V242 PolarHBondContact O-N 3.15Å; L213-V254 HydrophobicContact CD1-CG2 3.96Å
214R95.4Very high93.4Very high72 Ų7243.3 Ų43.327%0.27224%0.239SC..EExtended strand (participates in β ladder)trans-61.5135.4-174.4177.6160.7-67.4161.216112.8Y175 V179 L180 D181 P216Y175-R214 PolarHBondContact OH-NH2 2.85Å; Y175-R214 VanDerWaalsContact OH-NH2 3.14Å; V179-R214 HydrophobicContact CG1-CB 4.29Å; L180-R214 WeakPolarHBondContact O-CB 3.39Å; L180-R214 PolarHBondContact O-N 2.99Å; D181-R214 IonicContact OD1-CZ 2.83Å; D181-R214 IonicContact OD1-NH1 2.67Å; D181-R214 PolarHBondContact OD1-NH1 3.05Å; D181-R214 IonicContact OD1-NH2 2.77Å; D181-R214 IonicContact OD2-CZ 3.36Å; D181-R214 IonicContact OD2-NH1 2.74Å; D181-R214 PolarHBondContact OD2-NH1 3.29Å; D181-R214 IonicContact OD2-NH2 2.85Å; D181-R214 PolarHBondContact OD2-NH2 2.83Å; R214-P216 CarbonylContact O-C 3.6Å
215Y92.8Very high93.4Very high105 Ų10540.8 Ų40.841%0.41223%0.226SC..SBendtrans-76.4140165.1178-94.5000111.3L213 E241 V242 E243L213-Y215 PolarHBondContact O-N 3.14Å; Y215-E241 HydrophobicContact CD2-CG 3.93Å; Y215-E241 HydrophobicContact CG-CG 4.5Å; Y215-V242 WeakPolarHBondContact CB-O 3.38Å; Y215-V242 PolarHBondContact N-O 2.93Å; Y215-E243 HydrophobicContact CD1-CG 3.8Å; Y215-E243 HydrophobicContact CG-CG 3.79Å
216P91.5Very high93.4Very high83 Ų8343 Ų4354%0.53923%0.232SC..SBendcis-77.1143.3-9.532-34.3000111.8R214 S218R214-P216 CarbonylContact O-C 3.6Å; P216-S218 PolarHBondContact O-N 3.44Å
217L90.9Very high93.4Very high28 Ų2845.1 Ų45.115%0.14724%0.242CC..PPolyproline II helixtrans-61.7119.5175-64.9171.3000110.5L213 M221 E241 V254 A257L213-L217 HydrophobicContact CB-CD2 3.63Å; L213-L217 HydrophobicContact CD1-CD2 4.11Å; L217-M221 HydrophobicContact CD2-CB 4.4Å; L217-M221 HydrophobicContact CD2-CG 3.67Å; L217-E241 HydrophobicContact CD1-CB 4.35Å; L217-E241 HydrophobicContact CD1-CG 4.33Å; L217-E241 WeakPolarHBondContact CD1-OE1 3.49Å; L217-E241 HydrophobicContact CG-CB 4.5Å; L217-E241 HydrophobicContact CG-CG 4.1Å; L217-E241 WeakPolarHBondContact CG-OE1 3.42Å; L217-V254 HydrophobicContact CD1-CG1 4.13Å; L217-A257 HydrophobicContact CD1-CB 3.88Å
218S89.6Confident93.6Very high31 Ų3141.8 Ų41.822%0.21722%0.221CC..PPolyproline II helixtrans-64.7158.5174.974.70000111.6P216 L220 M221 Y222P216-S218 PolarHBondContact O-N 3.44Å; S218-L220 PolarHBondContact O-N 2.84Å; S218-L220 VanDerWaalsContact O-N 3.16Å; S218-M221 WeakPolarHBondContact O-CB 3.31Å; S218-M221 PolarHBondContact O-N 3.42Å; S218-M221 PolarHBondContact OG-N 2.88Å; S218-Y222 WeakPolarHBondContact O-CB 3.3Å; S218-Y222 PolarHBondContact O-N 3.27Å
219S88.9Confident93.7Very high97 Ų9740.9 Ų40.968%0.67822%0.217SC*.Hα-helixtrans-55.4-34.3177.8-179.70000112.9T223S219-T223 WeakPolarHBondContact O-CB 3.48Å; S219-T223 PolarHBondContact O-N 3.17Å; S219-T223 VanDerWaalsContact O-N 3.1Å; S219-T223 PolarHBondContact O-OG1 3.25Å
220L91Very high93.8Very high41 Ų4142.9 Ų42.922%0.21522%0.222CC..Hα-helixtrans-65.5-49.7172.6175.560.5000111.8M183 L185 S218 Y222 T223 A224M183-L220 HydrophobicContact CG-CD2 3.85Å; M183-L220 HydrophobicContact SD-CD2 3.93Å; M183-L220 HydrophobicContact SD-CG 4Å; L185-L220 HydrophobicContact CB-CD2 4.02Å; L185-L220 HydrophobicContact CD1-CD1 3.92Å; L185-L220 HydrophobicContact CD1-CD2 3.99Å; L185-L220 HydrophobicContact CG-CD2 4.16Å; S218-L220 PolarHBondContact O-N 2.84Å; S218-L220 VanDerWaalsContact O-N 3.16Å; L220-Y222 VanDerWaalsContact C-N 3.35Å; L220-Y222 PolarHBondContact O-N 3.44Å; L220-T223 PolarHBondContact O-N 3.02Å; L220-A224 PolarHBondContact O-N 3.48Å
221M93.3Very high93.8Very high10 Ų1046.4 Ų46.45%0.04923%0.234CC..Hα-helixtrans-61.3-44.4179.3-164.36772.800111.4L180 M183 L213 L217 S218 T223 A224 C225L180-M221 HydrophobicContact CD1-CE 3.93Å; L180-M221 HydrophobicContact CD1-SD 4.26Å; L180-M221 HydrophobicContact CD2-CE 3.64Å; L180-M221 HydrophobicContact CG-CE 4.29Å; M183-M221 HydrophobicContact CB-CE 3.72Å; M183-M221 HydrophobicContact CE-CE 3.85Å; M183-M221 HydrophobicContact CE-SD 3.79Å; M183-M221 HydrophobicContact SD-CE 4.28Å; M183-M221 HydrophobicContact SD-SD 4.35Å; L213-M221 HydrophobicContact CD1-CG 4.03Å; L213-M221 HydrophobicContact CD1-SD 4.05Å; L213-M221 HydrophobicContact CD2-SD 4.05Å; L213-M221 HydrophobicContact CG-SD 4.49Å; L217-M221 HydrophobicContact CD2-CB 4.4Å; L217-M221 HydrophobicContact CD2-CG 3.67Å; S218-M221 WeakPolarHBondContact O-CB 3.31Å; S218-M221 PolarHBondContact O-N 3.42Å; S218-M221 PolarHBondContact OG-N 2.88Å; M221-T223 VanDerWaalsContact C-N 3.32Å; M221-T223 PolarHBondContact O-N 2.83Å; M221-A224 PolarHBondContact O-N 2.82Å; M221-C225 WeakPolarHBondContact O-CB 3.38Å; M221-C225 PolarHBondContact O-N 2.74Å; M221-C225 PolarHBondContact O-SG 2.86Å
222Y92.5Very high93.7Very high31 Ų3147.1 Ų47.112%0.12224%0.237CC..Hα-helixtrans-56.8-44.5176.3-176.8-93000112S218 L220 K226 L258 E261S218-Y222 WeakPolarHBondContact O-CB 3.3Å; S218-Y222 PolarHBondContact O-N 3.27Å; L220-Y222 VanDerWaalsContact C-N 3.35Å; L220-Y222 PolarHBondContact O-N 3.44Å; Y222-K226 HydrophobicContact CE1-CD 4.08Å; Y222-K226 VanDerWaalsContact CZ-CE 3.42Å; Y222-K226 PolarHBondContact O-N 3.47Å; Y222-K226 WeakPolarHBondContact OH-CE 3.49Å; Y222-K226 PolarHBondContact OH-NZ 2.88Å; Y222-L258 HydrophobicContact CD2-CD2 3.44Å; Y222-L258 VanDerWaalsContact CD2-CD2 3.44Å; Y222-L258 HydrophobicContact CE2-CB 4.45Å; Y222-L258 HydrophobicContact CE2-CD2 3.4Å; Y222-L258 VanDerWaalsContact CE2-CD2 3.4Å; Y222-L258 HydrophobicContact CE2-CG 4.49Å; Y222-L258 HydrophobicContact CG-CD2 4.05Å; Y222-L258 PolarHBondContact OH-O 2.95Å; Y222-E261 HydrophobicContact CD2-CB 4.21Å; Y222-E261 HydrophobicContact CD2-CG 4.35Å; Y222-E261 HydrophobicContact CE2-CB 3.35Å; Y222-E261 HydrophobicContact CE2-CG 3.84Å
223T92.8Very high93.5Very high67 Ų6750.5 Ų50.541%0.41126%0.259SS..Hα-helixtrans-66.5-47.5176.9-55.70000111.3S219 L220 M221 C225 K226 Q227S219-T223 WeakPolarHBondContact O-CB 3.48Å; S219-T223 PolarHBondContact O-N 3.17Å; S219-T223 VanDerWaalsContact O-N 3.1Å; S219-T223 PolarHBondContact O-OG1 3.25Å; L220-T223 PolarHBondContact O-N 3.02Å; M221-T223 VanDerWaalsContact C-N 3.32Å; M221-T223 PolarHBondContact O-N 2.83Å; T223-C225 VanDerWaalsContact C-N 3.32Å; T223-C225 PolarHBondContact O-N 3.07Å; T223-K226 PolarHBondContact O-N 2.67Å; T223-Q227 PolarHBondContact O-N 3Å
224A95.1Very high93.2Very high1 Ų151.5 Ų51.51%0.00827%0.269CS..Hα-helixtrans-58.8-42177.300000112.1G195 L199 L220 M221 K226 Q227 Y228G195-A224 VanDerWaalsContact C-CB 3.48Å; G195-A224 WeakPolarHBondContact O-CB 3.12Å; L199-A224 HydrophobicContact CB-CB 4.34Å; L199-A224 HydrophobicContact CD2-CB 4.02Å; L220-A224 PolarHBondContact O-N 3.48Å; M221-A224 PolarHBondContact O-N 2.82Å; A224-K226 PolarHBondContact O-N 2.8Å; A224-Q227 PolarHBondContact O-N 2.84Å; A224-Y228 VanDerWaalsContact O-CB 3.24Å; A224-Y228 WeakPolarHBondContact O-CB 3.47Å; A224-Y228 PolarHBondContact O-N 2.55Å
225C95.5Very high93.1Very high0 Ų048.5 Ų48.50%026%0.258CS..Hα-helixtrans-64.6-36.8178.7-680000112.9L199 L213 M221 T223 Y228 F229 V254 L258L199-C225 HydrophobicContact CD2-CB 4.48Å; L213-C225 WeakPolarHBondContact CD1-SG 3.46Å; M221-C225 WeakPolarHBondContact O-CB 3.38Å; M221-C225 PolarHBondContact O-N 2.74Å; M221-C225 PolarHBondContact O-SG 2.86Å; T223-C225 VanDerWaalsContact C-N 3.32Å; T223-C225 PolarHBondContact O-N 3.07Å; C225-Y228 PolarHBondContact O-N 2.98Å; C225-F229 WeakPolarHBondContact O-CD2 3.46Å; C225-F229 PolarHBondContact O-N 3.36Å; C225-V254 HydrophobicContact CB-CG1 3.86Å; C225-L258 HydrophobicContact CB-CD1 4.2Å; C225-L258 HydrophobicContact CB-CD2 4.19Å
226K93.8Very high92.7Very high76 Ų7648 Ų4833%0.3326%0.26SS..Hα-helixtrans-62.6-54.5173.4-75.9-172.7174.7-179.70111.4Y222 T223 A224 Y228 F229 E230 L258Y222-K226 HydrophobicContact CE1-CD 4.08Å; Y222-K226 VanDerWaalsContact CZ-CE 3.42Å; Y222-K226 PolarHBondContact O-N 3.47Å; Y222-K226 WeakPolarHBondContact OH-CE 3.49Å; Y222-K226 PolarHBondContact OH-NZ 2.88Å; T223-K226 PolarHBondContact O-N 2.67Å; A224-K226 PolarHBondContact O-N 2.8Å; K226-Y228 PolarHBondContact O-N 3.25Å; K226-F229 PolarHBondContact O-N 3.43Å; K226-E230 VanDerWaalsContact O-CG 3.31Å; K226-E230 WeakPolarHBondContact O-CG 3.48Å; K226-E230 PolarHBondContact O-N 3.33Å; K226-L258 HydrophobicContact CG-CD1 4.18Å; K226-L258 HydrophobicContact CG-CD2 4.07Å
227Q94.6Very high92.7Very high55 Ų5550.9 Ų50.926%0.25727%0.266SS..Hα-helixtrans-57.2-35.1177.4-62.1-174.8-6500111.9D193 L196 T223 A224 K231D193-Q227 PolarHBondContact OD1-NE2 3.42Å; L196-Q227 HydrophobicContact CB-CB 4.3Å; L196-Q227 HydrophobicContact CD1-CB 4.23Å; L196-Q227 HydrophobicContact CD2-CB 4.12Å; L196-Q227 HydrophobicContact CG-CB 4.45Å; T223-Q227 PolarHBondContact O-N 3Å; A224-Q227 PolarHBondContact O-N 2.84Å; Q227-K231 WeakPolarHBondContact O-CB 3.44Å; Q227-K231 PolarHBondContact O-N 3.04Å
228Y96.2Very high92.9Very high0 Ų050.7 Ų50.70%027%0.265CS..Hα-helixtrans-66.7-50177.8-176.1-81.1000112L196 L199 E200 V203 A224 C225 K226 E230 K231 Y232 D235 L239 T326L196-Y228 HydrophobicContact CD1-CD2 4.12Å; L196-Y228 HydrophobicContact CD1-CG 4.43Å; L199-Y228 HydrophobicContact CD2-CD2 4.1Å; L199-Y228 HydrophobicContact CD2-CG 4.03Å; L199-Y228 HydrophobicContact CG-CD2 4Å; L199-Y228 HydrophobicContact CG-CG 4.4Å; E200-Y228 HydrophobicContact CG-CD2 4.25Å; E200-Y228 HydrophobicContact CG-CE2 4.4Å; V203-Y228 HydrophobicContact CB-CE2 4.43Å; V203-Y228 HydrophobicContact CG2-CE2 3.98Å; A224-Y228 VanDerWaalsContact O-CB 3.24Å; A224-Y228 WeakPolarHBondContact O-CB 3.47Å; A224-Y228 PolarHBondContact O-N 2.55Å; C225-Y228 PolarHBondContact O-N 2.98Å; K226-Y228 PolarHBondContact O-N 3.25Å; Y228-E230 VanDerWaalsContact C-N 3.35Å; Y228-E230 PolarHBondContact O-N 2.69Å; Y228-K231 CarbonylContact O-C 3.51Å; Y228-K231 PolarHBondContact O-N 3.09Å; Y228-K231 VanDerWaalsContact O-N 3.15Å; Y228-Y232 HydrophobicContact CD1-CD2 4.32Å; Y228-Y232 AromaticContact CD2-CD2 3.87Å; Y228-Y232 HydrophobicContact CD2-CD2 3.87Å; Y228-Y232 HydrophobicContact CD2-CE2 4.31Å; Y228-Y232 HydrophobicContact CE1-CD2 4.11Å; Y228-Y232 HydrophobicContact CE1-CG 4.47Å; Y228-Y232 AromaticContact CE2-CD2 3.68Å; Y228-Y232 HydrophobicContact CE2-CD2 3.68Å; Y228-Y232 HydrophobicContact CE2-CE2 4.12Å; Y228-Y232 HydrophobicContact CG-CD2 4.18Å; Y228-Y232 AromaticContact CZ-CD2 3.78Å; Y228-Y232 WeakPolarHBondContact O-CB 3.48Å; Y228-Y232 PolarHBondContact O-N 3.05Å; Y228-D235 HydrophobicContact CE1-CB 3.86Å; Y228-D235 PolarHBondContact OH-OD2 3.37Å; Y228-L239 HydrophobicContact CD1-CD1 3.8Å; Y228-L239 HydrophobicContact CE1-CD1 3.89Å; Y228-L239 HydrophobicContact CG-CD1 4.32Å; Y228-T326 HydrophobicContact CE2-CG2 4.1Å; Y228-T326 WeakPolarHBondContact OH-CG2 3.41Å; Y228-T326 PolarHBondContact OH-OG1 3.13Å
229F95Very high93.3Very high29 Ų2949.2 Ų49.213%0.12725%0.254CS..Hα-helixtrans-71.6-27.8179.4-69.4-57.7000113.5C225 K226 K231 Y232 L239 V254 T255 L258C225-F229 WeakPolarHBondContact O-CD2 3.46Å; C225-F229 PolarHBondContact O-N 3.36Å; K226-F229 PolarHBondContact O-N 3.43Å; F229-K231 VanDerWaalsContact C-N 3.26Å; F229-K231 PolarHBondContact O-N 2.9Å; F229-Y232 CarbonylContact O-C 3.47Å; F229-L239 HydrophobicContact CE1-CD1 4.49Å; F229-L239 HydrophobicContact CZ-CB 4.1Å; F229-L239 HydrophobicContact CZ-CD1 4.08Å; F229-V254 HydrophobicContact CE2-CB 4.08Å; F229-V254 HydrophobicContact CE2-CG1 3.9Å; F229-V254 HydrophobicContact CZ-CB 4.26Å; F229-T255 HydrophobicContact CD1-CG2 4.4Å; F229-T255 HydrophobicContact CD2-CG2 4.28Å; F229-T255 HydrophobicContact CE1-CG2 4.06Å; F229-T255 HydrophobicContact CE2-CG2 3.93Å; F229-T255 HydrophobicContact CZ-CG2 3.8Å; F229-L258 HydrophobicContact CD2-CD1 3.71Å; F229-L258 HydrophobicContact CE2-CD1 3.97Å
230E93.9Very high93.7Very high154 Ų15447.6 Ų47.672%0.7223%0.234SC*.Hα-helixtrans-62.5-34.6169.1-73.1164.8-165.100111.7K226 Y228K226-E230 VanDerWaalsContact O-CG 3.31Å; K226-E230 WeakPolarHBondContact O-CG 3.48Å; K226-E230 PolarHBondContact O-N 3.33Å; Y228-E230 VanDerWaalsContact C-N 3.35Å; Y228-E230 PolarHBondContact O-N 2.69Å
231K95.3Very high94Very high93 Ų9345.9 Ų45.940%0.40422%0.224SC..Hα-helixtrans-87-32.3179-167174.9-178.8-176.10113.5L196 E200 Q227 Y228 F229L196-K231 HydrophobicContact CD2-CD 4.08Å; E200-K231 VanDerWaalsContact OE1-CE 3.28Å; E200-K231 WeakPolarHBondContact OE1-CE 3.49Å; E200-K231 IonicContact OE1-NZ 3.84Å; E200-K231 PolarHBondContact OE1-NZ 2.87Å; E200-K231 IonicContact OE2-NZ 2.66Å; E200-K231 PolarHBondContact OE2-NZ 3.24Å; Q227-K231 WeakPolarHBondContact O-CB 3.44Å; Q227-K231 PolarHBondContact O-N 3.04Å; Y228-K231 CarbonylContact O-C 3.51Å; Y228-K231 PolarHBondContact O-N 3.09Å; Y228-K231 VanDerWaalsContact O-N 3.15Å; F229-K231 VanDerWaalsContact C-N 3.26Å; F229-K231 PolarHBondContact O-N 2.9Å
232Y95.1Very high94.1Very high17 Ų1745.5 Ų45.57%0.06722%0.223CC..  trans-131.666.4-173.5-56.6-64.8000112.7E200 Y228 F229 G234 D235 V324 T326E200-Y232 HydrophobicContact CG-CE2 4.16Å; E200-Y232 VanDerWaalsContact OE1-CE2 3.24Å; E200-Y232 WeakPolarHBondContact OE1-CE2 3.43Å; E200-Y232 PolarHBondContact OE1-OH 3.2Å; Y228-Y232 HydrophobicContact CD1-CD2 4.32Å; Y228-Y232 AromaticContact CD2-CD2 3.87Å; Y228-Y232 HydrophobicContact CD2-CD2 3.87Å; Y228-Y232 HydrophobicContact CD2-CE2 4.31Å; Y228-Y232 HydrophobicContact CE1-CD2 4.11Å; Y228-Y232 HydrophobicContact CE1-CG 4.47Å; Y228-Y232 AromaticContact CE2-CD2 3.68Å; Y228-Y232 HydrophobicContact CE2-CD2 3.68Å; Y228-Y232 HydrophobicContact CE2-CE2 4.12Å; Y228-Y232 HydrophobicContact CG-CD2 4.18Å; Y228-Y232 AromaticContact CZ-CD2 3.78Å; Y228-Y232 WeakPolarHBondContact O-CB 3.48Å; Y228-Y232 PolarHBondContact O-N 3.05Å; F229-Y232 CarbonylContact O-C 3.47Å; Y232-G234 PolarHBondContact O-N 2.86Å; Y232-G234 VanDerWaalsContact O-N 3.09Å; Y232-D235 PolarHBondContact O-N 3.33Å; Y232-D235 VanDerWaalsContact O-N 3.09Å; Y232-V324 CarbonylContact C-O 3.44Å; Y232-V324 VanDerWaalsContact CA-O 3.32Å; Y232-V324 WeakPolarHBondContact CA-O 3.35Å; Y232-V324 HydrophobicContact CD1-CG1 3.95Å; Y232-V324 HydrophobicContact CE1-CG1 4.15Å; Y232-T326 HydrophobicContact CD1-CG2 3.79Å; Y232-T326 HydrophobicContact CD2-CG2 3.74Å; Y232-T326 HydrophobicContact CE1-CG2 3.8Å; Y232-T326 HydrophobicContact CE2-CG2 3.72Å; Y232-T326 HydrophobicContact CG-CG2 3.77Å
233P92.3Very high94.2Very high71 Ų7148.2 Ų48.246%0.46124%0.237SC..G310 helixtrans-64.1-15.4-179.627-36000113.8D235 H236P233-D235 VanDerWaalsContact C-N 3.29Å; P233-D235 PolarHBondContact O-N 2.93Å; P233-H236 PolarHBondContact O-ND1 2.8Å
234G91.4Very high94.1Very high21 Ų2146.5 Ų46.522%0.21623%0.232CC..G310 helixtrans-68.6-22.4173.100000114.4Y232 H236 V324Y232-G234 PolarHBondContact O-N 2.86Å; Y232-G234 VanDerWaalsContact O-N 3.09Å; G234-H236 VanDerWaalsContact C-N 3.34Å; G234-H236 PolarHBondContact O-N 2.94Å; G234-V324 PolarHBondContact N-O 3.39Å; G234-V324 VanDerWaalsContact N-O 3.09Å
235D92.8Very high93.9Very high8 Ų846.5 Ų46.54%0.04323%0.232CC..G310 helixtrans-94.421.1-166.5-66.3-7.6000113.6Y228 Y232 P233 E237 L238 S325 T326Y228-D235 HydrophobicContact CE1-CB 3.86Å; Y228-D235 PolarHBondContact OH-OD2 3.37Å; Y232-D235 PolarHBondContact O-N 3.33Å; Y232-D235 VanDerWaalsContact O-N 3.09Å; P233-D235 VanDerWaalsContact C-N 3.29Å; P233-D235 PolarHBondContact O-N 2.93Å; D235-E237 PolarHBondContact O-N 3.05Å; D235-E237 VanDerWaalsContact O-N 3.11Å; D235-L238 HydrophobicContact CB-CB 4.12Å; D235-L238 HydrophobicContact CB-CD2 4.14Å; D235-L238 VanDerWaalsContact O-CB 3.28Å; D235-L238 WeakPolarHBondContact O-CB 3.48Å; D235-L238 PolarHBondContact O-N 2.8Å; D235-S325 WeakPolarHBondContact OD1-CA 3.45Å; D235-S325 WeakPolarHBondContact OD1-CB 3.43Å; D235-S325 PolarHBondContact OD1-OG 3.34Å; D235-T326 PolarHBondContact OD1-N 3.46Å; D235-T326 WeakPolarHBondContact OD2-CB 3.48Å; D235-T326 WeakPolarHBondContact OD2-CG2 3.48Å; D235-T326 PolarHBondContact OD2-N 2.91Å; D235-T326 PolarHBondContact OD2-OG1 3.04Å
236H86.1Confident93.9Very high96 Ų9646.5 Ų46.544%0.44423%0.232SC..THydrogen-bonded Turntrans-65.2-14.8-171.153.8-91.4000115.7P233 G234 T255P233-H236 PolarHBondContact O-ND1 2.8Å; G234-H236 VanDerWaalsContact C-N 3.34Å; G234-H236 PolarHBondContact O-N 2.94Å; H236-T255 HydrophobicContact CB-CG2 4.09Å
237E90.3Very high93.9Very high143 Ų14345.1 Ų45.167%0.66823%0.227SC*.THydrogen-bonded Turntrans-103.7-1.9172-53.6-161.9135.400113.6D235 W240D235-E237 PolarHBondContact O-N 3.05Å; D235-E237 VanDerWaalsContact O-N 3.11Å; E237-W240 PolarHBondContact O-NE1 3.43Å
238L95.6Very high93.7Very high23 Ų2352.6 Ų52.612%0.1225%0.253CS..THydrogen-bonded Turntrans-81.5-41.7-174-177.360.5000113V203 L211 D235V203-L238 HydrophobicContact CG1-CD2 3.73Å; L211-L238 HydrophobicContact CD1-CD1 4.26Å; L211-L238 HydrophobicContact CD1-CG 4.39Å; L211-L238 HydrophobicContact CG-CD1 4.16Å; L211-L238 PolarHBondContact N-O 3.06Å; D235-L238 HydrophobicContact CB-CB 4.12Å; D235-L238 HydrophobicContact CB-CD2 4.14Å; D235-L238 VanDerWaalsContact O-CB 3.28Å; D235-L238 WeakPolarHBondContact O-CB 3.48Å; D235-L238 PolarHBondContact O-N 2.8Å
239L97.3Very high93.6Very high0 Ų059.3 Ų59.30%028%0.279CS..EExtended strand (participates in β ladder)trans-100.7127.7-174.1-64.4174.4000112L199 V203 L211 L213 Y228 F229 V254L199-L239 HydrophobicContact CD1-CD1 4.29Å; L199-L239 HydrophobicContact CD1-CD2 4.33Å; L199-L239 HydrophobicContact CD2-CD1 4.31Å; V203-L239 HydrophobicContact CG2-CD2 3.97Å; L211-L239 HydrophobicContact CB-CD2 4.24Å; L213-L239 HydrophobicContact CD2-CD2 4.48Å; Y228-L239 HydrophobicContact CD1-CD1 3.8Å; Y228-L239 HydrophobicContact CE1-CD1 3.89Å; Y228-L239 HydrophobicContact CG-CD1 4.32Å; F229-L239 HydrophobicContact CE1-CD1 4.49Å; F229-L239 HydrophobicContact CZ-CB 4.1Å; F229-L239 HydrophobicContact CZ-CD1 4.08Å; L239-V254 HydrophobicContact CB-CB 4.22Å; L239-V254 HydrophobicContact CB-CG2 3.91Å; L239-V254 WeakPolarHBondContact O-CG2 3.37Å; L239-V254 PolarHBondContact O-N 3.4Å
240W97.4Very high93.6Very high64 Ų6459.6 Ų59.624%0.24228%0.28CS..EExtended strand (participates in β ladder)trans-123.4132.3-179-5876.2000110.8L211 G212 L213 E237 V242 R251 I252 P253 V254L211-W240 PolarHBondContact O-N 2.94Å; G212-W240 CarbonylContact C-O 3.54Å; G212-W240 WeakPolarHBondContact CA-O 3.3Å; L213-W240 PolarHBondContact N-O 2.75Å; E237-W240 PolarHBondContact O-NE1 3.43Å; W240-V242 HydrophobicContact CB-CG2 4.24Å; W240-R251 HydrophobicContact CB-CB 4.25Å; W240-R251 HydrophobicContact CD2-CB 4.16Å; W240-R251 HydrophobicContact CE3-CB 3.59Å; W240-R251 HydrophobicContact CG-CB 4.44Å; W240-R251 HydrophobicContact CZ3-CB 4.31Å; W240-I252 CarbonylContact C-O 3.57Å; W240-I252 WeakPolarHBondContact CA-O 3.25Å; W240-P253 HydrophobicContact CE3-CB 4.45Å; W240-P253 HydrophobicContact CE3-CG 3.97Å; W240-P253 HydrophobicContact CH2-CG 4.06Å; W240-P253 HydrophobicContact CZ3-CB 4.42Å; W240-P253 HydrophobicContact CZ3-CG 3.56Å; W240-V254 VanDerWaalsContact C-CG2 3.48Å
241E97Very high93.7Very high4 Ų455.1 Ų55.12%0.01926%0.257CS..EExtended strand (participates in β ladder)trans-70.8127.4162.7179.8178.2-116.700107.7L213 Y215 L217 R251 I252 V254 A257 R260L213-E241 CarbonylContact O-C 3.49Å; L213-E241 WeakPolarHBondContact O-CA 3.44Å; Y215-E241 HydrophobicContact CD2-CG 3.93Å; Y215-E241 HydrophobicContact CG-CG 4.5Å; L217-E241 HydrophobicContact CD1-CB 4.35Å; L217-E241 HydrophobicContact CD1-CG 4.33Å; L217-E241 WeakPolarHBondContact CD1-OE1 3.49Å; L217-E241 HydrophobicContact CG-CB 4.5Å; L217-E241 HydrophobicContact CG-CG 4.1Å; L217-E241 WeakPolarHBondContact CG-OE1 3.42Å; E241-R251 WeakPolarHBondContact O-CA 3.32Å; E241-I252 HydrophobicContact CB-CB 4.37Å; E241-I252 PolarHBondContact N-O 2.94Å; E241-I252 PolarHBondContact O-N 2.64Å; E241-V254 HydrophobicContact CB-CG2 4.37Å; E241-A257 HydrophobicContact CB-CB 4.15Å; E241-A257 HydrophobicContact CG-CB 4.48Å; E241-A257 WeakPolarHBondContact OE2-CB 3.44Å; E241-R260 IonicContact OE1-CZ 3.83Å; E241-R260 IonicContact OE1-NH2 2.62Å; E241-R260 PolarHBondContact OE1-NH2 2.78Å; E241-R260 IonicContact OE2-CZ 2.79Å; E241-R260 VanDerWaalsContact OE2-CZ 3.24Å; E241-R260 IonicContact OE2-NH1 3.52Å; E241-R260 PolarHBondContact OE2-NH1 3.15Å; E241-R260 IonicContact OE2-NH2 2.79Å; E241-R260 PolarHBondContact OE2-NH2 2.97Å
242V96.3Very high93.7Very high2 Ų253.5 Ų53.51%0.01225%0.252CS..EExtended strand (participates in β ladder)trans-126123.3-166.5168.40000112.2L177 V179 L213 Y215 W240 G246 Q250 R251L177-V242 HydrophobicContact CD1-CG2 4.2Å; L177-V242 HydrophobicContact CD2-CG1 4.5Å; L177-V242 HydrophobicContact CD2-CG2 4.26Å; V179-V242 HydrophobicContact CG1-CB 4.37Å; V179-V242 HydrophobicContact CG1-CG1 4.28Å; V179-V242 HydrophobicContact CG2-CB 4.44Å; V179-V242 HydrophobicContact CG2-CG1 3.87Å; L213-V242 PolarHBondContact O-N 3.15Å; Y215-V242 WeakPolarHBondContact CB-O 3.38Å; Y215-V242 PolarHBondContact N-O 2.93Å; W240-V242 HydrophobicContact CB-CG2 4.24Å; V242-G246 VanDerWaalsContact CG1-CA 3.47Å; V242-Q250 WeakPolarHBondContact CA-O 3.47Å; V242-R251 HydrophobicContact CG2-CG 4.31Å
243E93.8Very high93.7Very high89 Ų8953.5 Ų53.542%0.41626%0.255SS..  trans-93.2149.6165.8-69.4175-165.200111.4Y215 V245 G246 Q250Y215-E243 HydrophobicContact CD1-CG 3.8Å; Y215-E243 HydrophobicContact CG-CG 3.79Å; E243-V245 PolarHBondContact O-N 2.91Å; E243-G246 PolarHBondContact O-N 3.31Å; E243-G246 VanDerWaalsContact O-N 3.11Å; E243-Q250 HydrophobicContact CB-CB 4.24Å; E243-Q250 PolarHBondContact N-O 3.43Å; E243-Q250 VanDerWaalsContact O-CB 3.3Å; E243-Q250 WeakPolarHBondContact O-CB 3.38Å
244G90.5Very high93.9Very high31 Ų3150.1 Ų50.132%0.3223%0.233SC..THydrogen-bonded Turntrans55.6-124.2175.700000113.6Y175Y175-G244 VanDerWaalsContact CE1-O 3.29Å; Y175-G244 WeakPolarHBondContact CE1-O 3.48Å
245V92.8Very high94Very high0 Ų051.1 Ų51.10%024%0.235CC..THydrogen-bonded Turntrans-960.5179.8-57.10000113.7C167 F170 Q173 Y175 Q176 E243 H247C167-V245 HydrophobicContact CB-CG1 3.56Å; F170-V245 HydrophobicContact CD2-CG1 4.43Å; Q173-V245 HydrophobicContact CB-CG1 3.86Å; Q173-V245 HydrophobicContact CB-CG2 4.35Å; Y175-V245 HydrophobicContact CD1-CB 4.44Å; Q176-V245 HydrophobicContact CG-CG2 4.31Å; Q176-V245 PolarHBondContact N-O 2.97Å; E243-V245 PolarHBondContact O-N 2.91Å; V245-H247 VanDerWaalsContact CG2-CD2 3.45Å; V245-H247 WeakPolarHBondContact CG2-CD2 3.42Å
246G94.2Very high94Very high0 Ų058.5 Ų58.50%026%0.262CS..  trans73.537.8176.800000115.4Q176 V242 E243 Q250 R251Q176-G246 WeakPolarHBondContact CB-O 3.5Å; V242-G246 VanDerWaalsContact CG1-CA 3.47Å; E243-G246 PolarHBondContact O-N 3.31Å; E243-G246 VanDerWaalsContact O-N 3.11Å; G246-Q250 VanDerWaalsContact N-OE1 3.14Å; G246-R251 VanDerWaalsContact O-CZ 3.23Å; G246-R251 PolarHBondContact O-NE 2.82Å; G246-R251 PolarHBondContact O-NH2 2.93Å
247H93.6Very high94.2Very high48 Ų4854 Ų5422%0.22224%0.241CC..  trans-56.9159.7160.2-71.1-67.9000110.8Q176 V245 Y249 Q250 R251Q176-H247 VanDerWaalsContact CD-CE1 3.47Å; Q176-H247 PolarHBondContact OE1-ND1 3.06Å; V245-H247 VanDerWaalsContact CG2-CD2 3.45Å; V245-H247 WeakPolarHBondContact CG2-CD2 3.42Å; H247-Y249 HydrophobicContact CB-CD1 3.88Å; H247-Y249 HydrophobicContact CB-CE1 3.37Å; H247-Y249 HydrophobicContact CB-CE2 4.37Å; H247-Y249 PolarHBondContact CD2-OH 3.23Å; H247-Y249 AromaticContact CG-CE1 3.94Å; H247-Y249 PolarHBondContact O-N 3.45Å; H247-Q250 HydrophobicContact CB-CG 4.33Å; H247-Q250 WeakPolarHBondContact O-CA 3.47Å; H247-Q250 WeakPolarHBondContact O-CB 3.38Å; H247-Q250 PolarHBondContact O-N 2.93Å; H247-R251 WeakPolarHBondContact O-CG 3.48Å
248W91.6Very high94.3Very high212 Ų21248.1 Ų48.180%0.80321%0.214SC*.G310 helixtrans-54.5-31.2-173.168.9-94.7000114.6Q250W248-Q250 VanDerWaalsContact C-N 3.32Å
249Y93.6Very high93.9Very high141 Ų14153 Ų5355%0.55324%0.236SC*.G310 helixtrans-82.2-6.6177.958.7-93.8000113.8H247H247-Y249 HydrophobicContact CB-CD1 3.88Å; H247-Y249 HydrophobicContact CB-CE1 3.37Å; H247-Y249 HydrophobicContact CB-CE2 4.37Å; H247-Y249 PolarHBondContact CD2-OH 3.23Å; H247-Y249 AromaticContact CG-CE1 3.94Å; H247-Y249 PolarHBondContact O-N 3.45Å
250Q95.4Very high93.5Very high34 Ų3457 Ų5716%0.15925%0.251CS..G310 helixtrans-104.412.5176.4-52.7177.3-58.900112V242 E243 G246 H247 W248V242-Q250 WeakPolarHBondContact CA-O 3.47Å; E243-Q250 HydrophobicContact CB-CB 4.24Å; E243-Q250 PolarHBondContact N-O 3.43Å; E243-Q250 VanDerWaalsContact O-CB 3.3Å; E243-Q250 WeakPolarHBondContact O-CB 3.38Å; G246-Q250 VanDerWaalsContact N-OE1 3.14Å; H247-Q250 HydrophobicContact CB-CG 4.33Å; H247-Q250 WeakPolarHBondContact O-CA 3.47Å; H247-Q250 WeakPolarHBondContact O-CB 3.38Å; H247-Q250 PolarHBondContact O-N 2.93Å; W248-Q250 VanDerWaalsContact C-N 3.32Å
251R95.8Very high92.6Very high60 Ų6056.9 Ų56.923%0.22625%0.254CS..EExtended strand (participates in β ladder)trans-113.5127.7-177.7-59.8-179.2-167.8-165.7-1.7110.6Q176 W240 E241 V242 G246 H247Q176-R251 PolarHBondContact O-NH2 2.88Å; W240-R251 HydrophobicContact CB-CB 4.25Å; W240-R251 HydrophobicContact CD2-CB 4.16Å; W240-R251 HydrophobicContact CE3-CB 3.59Å; W240-R251 HydrophobicContact CG-CB 4.44Å; W240-R251 HydrophobicContact CZ3-CB 4.31Å; E241-R251 WeakPolarHBondContact O-CA 3.32Å; V242-R251 HydrophobicContact CG2-CG 4.31Å; G246-R251 VanDerWaalsContact O-CZ 3.23Å; G246-R251 PolarHBondContact O-NE 2.82Å; G246-R251 PolarHBondContact O-NH2 2.93Å; H247-R251 WeakPolarHBondContact O-CG 3.48Å
252I95.4Very high91.8Very high59 Ų5959.3 Ų59.330%0.30327%0.274SS..EExtended strand (participates in β ladder)trans-117.3129.7169.9-59.5176000107.4W240 E241 V254 R256W240-I252 CarbonylContact C-O 3.57Å; W240-I252 WeakPolarHBondContact CA-O 3.25Å; E241-I252 HydrophobicContact CB-CB 4.37Å; E241-I252 PolarHBondContact N-O 2.94Å; E241-I252 PolarHBondContact O-N 2.64Å; I252-V254 PolarHBondContact O-N 3.18Å; I252-R256 HydrophobicContact CG2-CB 4.12Å
253P95.5Very high90.8Very high18 Ų1866.6 Ų66.612%0.11731%0.312CS..EExtended strand (participates in β ladder)trans-55.7130.8174.7-22.330.3000110.4W240 T255 R256 A257W240-P253 HydrophobicContact CE3-CB 4.45Å; W240-P253 HydrophobicContact CE3-CG 3.97Å; W240-P253 HydrophobicContact CH2-CG 4.06Å; W240-P253 HydrophobicContact CZ3-CB 4.42Å; W240-P253 HydrophobicContact CZ3-CG 3.56Å; P253-T255 PolarHBondContact O-N 3.44Å; P253-T255 VanDerWaalsContact O-N 3.12Å; P253-R256 HydrophobicContact CB-CG 4.35Å; P253-R256 HydrophobicContact CG-CG 4.45Å; P253-R256 WeakPolarHBondContact O-CA 3.21Å; P253-R256 WeakPolarHBondContact O-CB 3.24Å; P253-R256 PolarHBondContact O-N 2.78Å; P253-A257 PolarHBondContact O-N 2.62Å
254V95.9Very high89.6Confident0 Ų068.2 Ų68.20%032%0.318CS..Hα-helixtrans-59.5-31.6-175.8175.50000111.1L213 L217 C225 F229 L239 W240 E241 I252 R256 A257 L258L213-V254 HydrophobicContact CD1-CG2 3.96Å; L217-V254 HydrophobicContact CD1-CG1 4.13Å; C225-V254 HydrophobicContact CB-CG1 3.86Å; F229-V254 HydrophobicContact CE2-CB 4.08Å; F229-V254 HydrophobicContact CE2-CG1 3.9Å; F229-V254 HydrophobicContact CZ-CB 4.26Å; L239-V254 HydrophobicContact CB-CB 4.22Å; L239-V254 HydrophobicContact CB-CG2 3.91Å; L239-V254 WeakPolarHBondContact O-CG2 3.37Å; L239-V254 PolarHBondContact O-N 3.4Å; W240-V254 VanDerWaalsContact C-CG2 3.48Å; E241-V254 HydrophobicContact CB-CG2 4.37Å; I252-V254 PolarHBondContact O-N 3.18Å; V254-R256 PolarHBondContact O-N 3.34Å; V254-A257 CarbonylContact O-C 3.39Å; V254-A257 WeakPolarHBondContact O-CB 3.29Å; V254-A257 PolarHBondContact O-N 3.39Å; V254-L258 HydrophobicContact CG1-CD1 4.3Å; V254-L258 HydrophobicContact CG1-CG 4.05Å; V254-L258 VanDerWaalsContact O-CG 3.32Å; V254-L258 WeakPolarHBondContact O-CG 3.34Å; V254-L258 PolarHBondContact O-N 3.36Å
255T93.1Very high88Confident42 Ų4271.9 Ų71.926%0.25833%0.329SS..Hα-helixtrans-53-37.1171.251.80000113.6F229 H236 P253 Q259F229-T255 HydrophobicContact CD1-CG2 4.4Å; F229-T255 HydrophobicContact CD2-CG2 4.28Å; F229-T255 HydrophobicContact CE1-CG2 4.06Å; F229-T255 HydrophobicContact CE2-CG2 3.93Å; F229-T255 HydrophobicContact CZ-CG2 3.8Å; H236-T255 HydrophobicContact CB-CG2 4.09Å; P253-T255 PolarHBondContact O-N 3.44Å; P253-T255 VanDerWaalsContact O-N 3.12Å; T255-Q259 WeakPolarHBondContact O-CG 3.28Å; T255-Q259 PolarHBondContact O-N 3.39Å
256R92.6Very high85.7Confident163 Ų16376.7 Ų76.762%0.61536%0.36SS*.Hα-helixtrans-78.6-36.7174.1-62.6-174.1-174.2167.82.3112.4I252 P253 V254 L258 Q259 R260I252-R256 HydrophobicContact CG2-CB 4.12Å; P253-R256 HydrophobicContact CB-CG 4.35Å; P253-R256 HydrophobicContact CG-CG 4.45Å; P253-R256 WeakPolarHBondContact O-CA 3.21Å; P253-R256 WeakPolarHBondContact O-CB 3.24Å; P253-R256 PolarHBondContact O-N 2.78Å; V254-R256 PolarHBondContact O-N 3.34Å; R256-L258 VanDerWaalsContact C-N 3.31Å; R256-L258 PolarHBondContact O-N 3.3Å; R256-Q259 PolarHBondContact O-N 2.97Å; R256-R260 PolarHBondContact O-N 3.44Å
257A91.4Very high82.9Confident1 Ų181 Ų811%0.00840%0.396CS..Hα-helixtrans-61.9-39.5173.500000111.7L217 E241 P253 V254 R260 E261L217-A257 HydrophobicContact CD1-CB 3.88Å; E241-A257 HydrophobicContact CB-CB 4.15Å; E241-A257 HydrophobicContact CG-CB 4.48Å; E241-A257 WeakPolarHBondContact OE2-CB 3.44Å; P253-A257 PolarHBondContact O-N 2.62Å; V254-A257 CarbonylContact O-C 3.39Å; V254-A257 WeakPolarHBondContact O-CB 3.29Å; V254-A257 PolarHBondContact O-N 3.39Å; A257-R260 PolarHBondContact O-N 3.2Å; A257-E261 PolarHBondContact O-N 2.58Å
258L90.9Very high80.3Confident19 Ų1985 Ų8510%0.09942%0.424CS..Hα-helixtrans-62.1-41.9175-70.1179.7000112.4Y222 C225 K226 F229 V254 R256 A262Y222-L258 HydrophobicContact CD2-CD2 3.44Å; Y222-L258 VanDerWaalsContact CD2-CD2 3.44Å; Y222-L258 HydrophobicContact CE2-CB 4.45Å; Y222-L258 HydrophobicContact CE2-CD2 3.4Å; Y222-L258 VanDerWaalsContact CE2-CD2 3.4Å; Y222-L258 HydrophobicContact CE2-CG 4.49Å; Y222-L258 HydrophobicContact CG-CD2 4.05Å; Y222-L258 PolarHBondContact OH-O 2.95Å; C225-L258 HydrophobicContact CB-CD1 4.2Å; C225-L258 HydrophobicContact CB-CD2 4.19Å; K226-L258 HydrophobicContact CG-CD1 4.18Å; K226-L258 HydrophobicContact CG-CD2 4.07Å; F229-L258 HydrophobicContact CD2-CD1 3.71Å; F229-L258 HydrophobicContact CE2-CD1 3.97Å; V254-L258 HydrophobicContact CG1-CD1 4.3Å; V254-L258 HydrophobicContact CG1-CG 4.05Å; V254-L258 VanDerWaalsContact O-CG 3.32Å; V254-L258 WeakPolarHBondContact O-CG 3.34Å; V254-L258 PolarHBondContact O-N 3.36Å; R256-L258 VanDerWaalsContact C-N 3.31Å; R256-L258 PolarHBondContact O-N 3.3Å; L258-A262 PolarHBondContact O-N 3.11Å; L258-A262 VanDerWaalsContact O-N 3.14Å
259Q88.9Confident77.7Confident125 Ų12579 Ų7958%0.58441%0.414SS*.Hα-helixtrans-65.5-45.1175-71.9168.9-7.600112.1T255 R256 E261 A262 L263T255-Q259 WeakPolarHBondContact O-CG 3.28Å; T255-Q259 PolarHBondContact O-N 3.39Å; R256-Q259 PolarHBondContact O-N 2.97Å; Q259-E261 VanDerWaalsContact C-N 3.26Å; Q259-E261 PolarHBondContact O-N 3.42Å; Q259-A262 PolarHBondContact O-N 3.04Å; Q259-L263 PolarHBondContact O-N 3.41Å
260R87.5Confident75.2Confident84 Ų8481.4 Ų81.432%0.31743%0.43SS..Hα-helixtrans-53.3-44.3176.9-177.7-174.566.1-145.8-10.2111.4E241 R256 A257E241-R260 IonicContact OE1-CZ 3.83Å; E241-R260 IonicContact OE1-NH2 2.62Å; E241-R260 PolarHBondContact OE1-NH2 2.78Å; E241-R260 IonicContact OE2-CZ 2.79Å; E241-R260 VanDerWaalsContact OE2-CZ 3.24Å; E241-R260 IonicContact OE2-NH1 3.52Å; E241-R260 PolarHBondContact OE2-NH1 3.15Å; E241-R260 IonicContact OE2-NH2 2.79Å; E241-R260 PolarHBondContact OE2-NH2 2.97Å; R256-R260 PolarHBondContact O-N 3.44Å; A257-R260 PolarHBondContact O-N 3.2Å
261E79.3Confident72.3Confident63 Ų6386.5 Ų86.529%0.29446%0.458SS..Hα-helixtrans-75.3-34.6-179.9-149.261.8-153.800113.1Y222 A257 Q259 L263 K264 I265Y222-E261 HydrophobicContact CD2-CB 4.21Å; Y222-E261 HydrophobicContact CD2-CG 4.35Å; Y222-E261 HydrophobicContact CE2-CB 3.35Å; Y222-E261 HydrophobicContact CE2-CG 3.84Å; A257-E261 PolarHBondContact O-N 2.58Å; Q259-E261 VanDerWaalsContact C-N 3.26Å; Q259-E261 PolarHBondContact O-N 3.42Å; E261-L263 PolarHBondContact O-N 2.63Å; E261-K264 PolarHBondContact O-N 2.87Å; E261-K264 WeakPolarHBondContact OE1-CD 3.46Å; E261-K264 IonicContact OE1-NZ 2.93Å; E261-K264 PolarHBondContact OE1-NZ 2.96Å; E261-K264 VanDerWaalsContact OE2-CE 3.26Å; E261-K264 WeakPolarHBondContact OE2-CE 3.39Å; E261-K264 IonicContact OE2-NZ 3.75Å; E261-K264 PolarHBondContact OE2-NZ 3.43Å; E261-I265 PolarHBondContact O-N 2.87Å
262A79.2Confident69.2Low54 Ų5491.2 Ų91.245%0.44648%0.483SS..Hα-helixtrans-61.2-27.5176.100000112.5L258 Q259L258-A262 PolarHBondContact O-N 3.11Å; L258-A262 VanDerWaalsContact O-N 3.14Å; Q259-A262 PolarHBondContact O-N 3.04Å
263L75.9Confident66.3Low156 Ų15694.2 Ų94.282%0.81751%0.506SS*.THydrogen-bonded Turntrans-82.1-17.2173.6-64.6171.7000113.9Q259 E261Q259-L263 PolarHBondContact O-N 3.41Å; E261-L263 PolarHBondContact O-N 2.63Å
264K69.5Low63.3Low123 Ų123101.9 Ų101.954%0.53554%0.538SS..THydrogen-bonded Turntrans-84.1-21176.4-68.2-170.4-156.8155.40113.6E261 P266E261-K264 PolarHBondContact O-N 2.87Å; E261-K264 WeakPolarHBondContact OE1-CD 3.46Å; E261-K264 IonicContact OE1-NZ 2.93Å; E261-K264 PolarHBondContact OE1-NZ 2.96Å; E261-K264 VanDerWaalsContact OE2-CE 3.26Å; E261-K264 WeakPolarHBondContact OE2-CE 3.39Å; E261-K264 IonicContact OE2-NZ 3.75Å; E261-K264 PolarHBondContact OE2-NZ 3.43Å; K264-P266 WeakPolarHBondContact O-CD 3.35Å
265I56Low60.4Low107 Ų107112.9 Ų112.955%0.54958%0.579SS.*SBendtrans-74.4108.5176.5-60170.3000107.3E261 A267E261-I265 PolarHBondContact O-N 2.87Å; I265-A267 PolarHBondContact O-N 2.88Å
266P43.7Very low57.5Low102 Ų102116.6 Ų116.666%0.66260%0.604SS**  trans-64.2126.6172.428.8-33.8000108K264 V268K264-P266 WeakPolarHBondContact O-CD 3.35Å; P266-V268 PolarHBondContact O-N 2.81Å
267A37.3Very low54.5Low91 Ų91117.5 Ų117.575%0.75262%0.618SS**  trans-66.198.6173.900000109I265 S269I265-A267 PolarHBondContact O-N 2.88Å; A267-S269 PolarHBondContact O-N 2.88Å
268V37.5Very low51.6Low132 Ų132122.9 Ų122.980%0.866%0.655SS**  trans-73.266.5169.9-173.20000108.5P266 Q270P266-V268 PolarHBondContact O-N 2.81Å; V268-Q270 PolarHBondContact O-N 2.92Å
269S37.9Very low48.6Very low86 Ų86125.2 Ų125.260%0.60168%0.683SS**  trans-67.6115.516761.30000108A267 N271A267-S269 PolarHBondContact O-N 2.88Å; S269-N271 PolarHBondContact O-N 2.95Å
270Q41.1Very low45.7Very low190 Ų190126.9 Ų126.989%0.88869%0.691SS**  trans-63.1104166-71.8-171.2-9.100109.3V268V268-Q270 PolarHBondContact O-N 2.92Å
271N33.9Very low43.1Very low141 Ų141133 Ų13375%0.75472%0.716SS**  trans-142.985.6163.9-88.8-51000107.7S269 P273S269-N271 PolarHBondContact O-N 2.95Å; N271-P273 VanDerWaalsContact O-CD 3.29Å; N271-P273 WeakPolarHBondContact O-CD 3.36Å
272E31.1Very low40.7Very low160 Ų160133.5 Ų133.575%0.74874%0.738SS**  trans-69.8114.2175.6-179-172.9-133.700109.6K274E272-K274 PolarHBondContact O-N 2.97Å
273P33.7Very low38.8Very low121 Ų121137.1 Ų137.179%0.78676%0.757SS**  trans-78.293.6-177.831.4-33000110.1N271 R275N271-P273 VanDerWaalsContact O-CD 3.29Å; N271-P273 WeakPolarHBondContact O-CD 3.36Å; P273-R275 PolarHBondContact O-N 3.08Å
274K33.7Very low36.4Very low180 Ų180133.7 Ų133.778%0.78375%0.752SS**  trans-60.498174-75-176.6176.8175.70111E272 P276E272-K274 PolarHBondContact O-N 2.97Å; K274-P276 VanDerWaalsContact O-CD 3.31Å; K274-P276 WeakPolarHBondContact O-CD 3.38Å
275R34.3Very low34.6Very low231 Ų231138.7 Ų138.787%0.87277%0.769SS**PPolyproline II helixtrans-60.3116.6174.9177.1-171.2-71.5166-4.2110.5P273P273-R275 PolarHBondContact O-N 3.08Å
276P32.1Very low33.2Very low119 Ų119139.7 Ų139.777%0.77378%0.779SS**PPolyproline II helixtrans-78135.2168.731.8-31.8000110.3K274K274-P276 VanDerWaalsContact O-CD 3.31Å; K274-P276 WeakPolarHBondContact O-CD 3.38Å
277M28.7Very low33.2Very low183 Ų183139.4 Ų139.490%0.90178%0.777SS**PPolyproline II helixtrans-96.7149.1167.3-170.561.3-178.600109.4
278S30.6Very low32.7Very low114 Ų114143.3 Ų143.380%0.79778%0.78SS**PPolyproline II helixtrans-104138.4-171.8-174.50000113.5
279G29.3Very low32.6Very low67 Ų67147.6 Ų147.669%0.69178%0.783SS**  trans83.2148.817100000115.1
280E28.3Very low32.2Very low160 Ų160151.9 Ų151.975%0.74879%0.794SS**  cis-153.61695.4-67.3-172.1115.700112.7
281Y31.6Very low31.8Very low212 Ų212146.6 Ų146.683%0.83178%0.783SS**  trans43.2133158.7-60-65.3000123.3
282G29.1Very low31.6Very low75 Ų75149.6 Ų149.677%0.77378%0.784SS**  trans141116.9151.600000116
283P39.5Very low31.7Very low130 Ų130146.5 Ų146.584%0.84478%0.775SS**  trans-108.5174.1-174.440.2-35.5000116.6
284A26.4Very low31.7Very low84 Ų84147.2 Ų147.269%0.69477%0.769SS**  trans81.5121.8170.700000116.3
285Y30Very low31.6Very low228 Ų228145.1 Ų145.189%0.89477%0.766SS**  -152.6165.354.4-106.1-93.9000114.5
286V28.3Very low31.5Very low128 Ų128139.2 Ų139.278%0.77675%0.752SS**  trans-143.2139.2175.7178.20000104
287P43.3Very low31.4Very low95 Ų95141.7 Ų141.762%0.61775%0.753SS**  -154-178.661.745.5-25.2000119.2
288E26.8Very low31.5Very low174 Ų174137.8 Ų137.881%0.81374%0.743SS**  trans67.9144.1154.9-75.1158.1132.600118.4
289Y33.8Very low31.4Very low221 Ų221137.3 Ų137.387%0.86774%0.74SS**  cis-134.3159.123.847.5-87.5000114.9
290E31.2Very low31.4Very low176 Ų176142.2 Ų142.282%0.82275%0.745SS**  trans-72.3172171.7-52.9-173.3143.700111
291A32.7Very low31.5Very low79 Ų79142.9 Ų142.965%0.65375%0.751SS**  cis-156.8142.925.900000110
292R28.2Very low31.3Very low205 Ų205140.3 Ų140.377%0.77475%0.746SS**  79.7130.987.7-163.1170.8-168.2-157.4-0.8112.4E294R292-E294 IonicContact NE-OE1 3.86Å
293T34.9Very low31.4Very low94 Ų94145 Ų14558%0.57775%0.752SS**  cis-150.2147.130.9-11.40000111.6
294E32.2Very low30.9Very low137 Ų137144.4 Ų144.464%0.6475%0.746SS**  trans30.9143.3134.3-66.7138.5-13000120.6R292R292-E294 IonicContact NE-OE1 3.86Å
295D31.6Very low31.4Very low136 Ų136148.7 Ų148.773%0.72776%0.756SS**  cis-138.6130.522-95.7-45.4000111.1
296N33.3Very low31.5Very low107 Ų107145 Ų14557%0.57275%0.752SS**  82.9106.480.6-90-50.4000117.2
297Q30.3Very low31.7Very low170 Ų170144.4 Ų144.479%0.79475%0.753SS**  trans71.3149.3135.9-63.717636.700121
298S29.3Very low31.3Very low101 Ų101148.5 Ų148.571%0.70677%0.769SS**  cis-170178.5-22.759.30000110.1
299S29.4Very low31.7Very low105 Ų105149.1 Ų149.173%0.73477%0.769SS**  trans67.389.1167.2-152.60000118
300E29.8Very low31.7Very low169 Ų169146.2 Ų146.279%0.7977%0.769SS**  11.8123.9110.6-176.5175.6-150.700117.2
301M29.3Very low31.7Very low175 Ų175142.1 Ų142.186%0.86277%0.765SS**  trans-147.3145149.2-112.3-175.2-179.400109.7
302Q28.5Very low32.1Very low157 Ų157148.5 Ų148.573%0.73478%0.778SS**  trans-68.3135.4-176-62.397.5-1.500111.9T304Q302-T304 PolarHBondContact O-N 2.96Å
303L29.5Very low32.3Very low173 Ų173143 Ų14391%0.90678%0.777SS**  trans-81.896160.5-78.3173.3000109
304T29.7Very low32.4Very low118 Ų118143.9 Ų143.972%0.72479%0.786SS**  trans-59.2138172.8-17.60000110.6Q302 D306Q302-T304 PolarHBondContact O-N 2.96Å; T304-D306 PolarHBondContact O-N 3.05Å
305I38Very low32.9Very low175 Ų175143.9 Ų143.990%0.89780%0.796SS**SBendtrans-77.678.5174.9-55.9176.5000108.6
306D31.4Very low33Very low150 Ų150143.3 Ų143.380%0.80280%0.802SS**  trans-15255178.8-123-24.3000111.9T304T304-D306 PolarHBondContact O-N 3.05Å
307S31.8Very low33.3Very low116 Ų116147.8 Ų147.881%0.81182%0.82SS**  trans-151.765173.4-147.80000113
308L35.5Very low33.3Very low180 Ų180142.8 Ų142.894%0.94281%0.814SS**  trans-138.442.2165-152.5105.5000111.9
309K34.7Very low33.4Very low188 Ų188147 Ų14782%0.81782%0.822SS**SBendtrans-133.7151.9171.2-114.7177.2178.6175.60109.1
310D33.6Very low33.7Very low160 Ų160150.8 Ų150.886%0.85683%0.829SS**  trans57.972.3-179.9-60.6-12.3000115.9
311A31.6Very low34.6Very low89 Ų89152.5 Ų152.574%0.73683%0.834SS**  trans-120.81916400000113.2
312F40.6Very low35.5Very low214 Ų214149.7 Ų149.794%0.93983%0.826SS**  trans-131.452.2-178.3-69.5-69000112.6
313A33.6Very low36.8Very low90 Ų90145.9 Ų145.974%0.74482%0.817SS**SBendtrans-144.680.3173.800000111.8
314S35.8Very low38.8Very low111 Ų111141.4 Ų141.478%0.77680%0.797SS**  trans26.2123156.8-53.40000120.8
315T43.2Very low40.9Very low137 Ų137136.9 Ų136.984%0.8477%0.77SS**  173.9171.5103.733.70000113.2
316S34.3Very low42.6Very low124 Ų124128.8 Ų128.887%0.86773%0.729SS**  trans86.1149.3173.276.40000117.9
317E40.1Very low44.3Very low201 Ų201128 Ų12894%0.93971%0.714SS**  trans-91.6149.3-162.9-60.7156.795.700113
318G29.8Very low45.5Very low66 Ų66127.1 Ų127.168%0.6870%0.704SS**  trans167.675.9169.800000117.1
319H31.1Very low46.4Very low188 Ų188124.4 Ų124.487%0.8768%0.682SS**  trans65.7121.3173-60.778.5000116.8K321H319-K321 PolarHBondContact O-N 2.89Å
320E36.9Very low47Very low186 Ų186116.4 Ų116.487%0.86965%0.649SS**  trans-65.4100.8169-64.9-173.9134.200111.1T322E320-T322 PolarHBondContact O-N 3.08Å
321K46.9Very low47.4Very low205 Ų205113.2 Ų113.289%0.89164%0.64SS**  trans-83.487.1151-73.7-176.1178.51780107.8H319 S323H319-K321 PolarHBondContact O-N 2.89Å; K321-S323 PolarHBondContact O-N 3.31Å; K321-S323 VanDerWaalsContact O-N 3.15Å
322T49.4Very low47.6Very low115 Ų115115.9 Ų115.971%0.70664%0.641SS**PPolyproline II helixtrans-49.8122.1169.2-44.10000108.6E320 V324E320-T322 PolarHBondContact O-N 3.08Å; T322-V324 PolarHBondContact O-N 3.39Å
323S55.6Low47.6Very low77 Ų77111.9 Ų111.954%0.53863%0.629SS.*PPolyproline II helixtrans-62.3124.8-177.4410000109.9K321 S325K321-S323 PolarHBondContact O-N 3.31Å; K321-S323 VanDerWaalsContact O-N 3.15Å; S323-S325 PolarHBondContact O-N 2.99Å
324V70.4Confident47.8Very low80 Ų80117.9 Ų117.949%0.48564%0.638SS.*PPolyproline II helixtrans-70.1120.7179.3-1690000108Y232 G234 T322Y232-V324 CarbonylContact C-O 3.44Å; Y232-V324 VanDerWaalsContact CA-O 3.32Å; Y232-V324 WeakPolarHBondContact CA-O 3.35Å; Y232-V324 HydrophobicContact CD1-CG1 3.95Å; Y232-V324 HydrophobicContact CE1-CG1 4.15Å; G234-V324 PolarHBondContact N-O 3.39Å; G234-V324 VanDerWaalsContact N-O 3.09Å; T322-V324 PolarHBondContact O-N 3.39Å
325S75.1Confident48.4Very low23 Ų23117.6 Ų117.616%0.16162%0.62CS.*  trans-123.9139.2176.2167.40000108.2D235 S323 R327 T328D235-S325 WeakPolarHBondContact OD1-CA 3.45Å; D235-S325 WeakPolarHBondContact OD1-CB 3.43Å; D235-S325 PolarHBondContact OD1-OG 3.34Å; S323-S325 PolarHBondContact O-N 2.99Å; S325-R327 PolarHBondContact O-N 2.87Å; S325-R327 PolarHBondContact OG-N 3.23Å; S325-T328 PolarHBondContact O-N 3.28Å; S325-T328 PolarHBondContact O-OG1 3.06Å
326T74.2Confident48.3Very low5 Ų5116.3 Ų116.33%0.03161%0.614CS.*Hα-helixtrans-56.4-31.1174.649.40000112.4V203 Y228 Y232 D235 T328 R329V203-T326 HydrophobicContact CG1-CG2 4.39Å; Y228-T326 HydrophobicContact CE2-CG2 4.1Å; Y228-T326 WeakPolarHBondContact OH-CG2 3.41Å; Y228-T326 PolarHBondContact OH-OG1 3.13Å; Y232-T326 HydrophobicContact CD1-CG2 3.79Å; Y232-T326 HydrophobicContact CD2-CG2 3.74Å; Y232-T326 HydrophobicContact CE1-CG2 3.8Å; Y232-T326 HydrophobicContact CE2-CG2 3.72Å; Y232-T326 HydrophobicContact CG-CG2 3.77Å; D235-T326 PolarHBondContact OD1-N 3.46Å; D235-T326 WeakPolarHBondContact OD2-CB 3.48Å; D235-T326 WeakPolarHBondContact OD2-CG2 3.48Å; D235-T326 PolarHBondContact OD2-N 2.91Å; D235-T326 PolarHBondContact OD2-OG1 3.04Å; T326-T328 VanDerWaalsContact C-N 3.26Å; T326-T328 PolarHBondContact O-N 2.59Å; T326-R329 WeakPolarHBondContact O-CB 3.43Å; T326-R329 PolarHBondContact O-N 3.01Å; T326-R329 VanDerWaalsContact O-N 3.14Å
327R66.3Low48.7Very low133 Ų133119.4 Ų119.450%0.50261%0.612SS.*Hα-helixtrans-60-33.3-176.3-155.4169.8-170.1147.10.2112.9D209 S325 S330D209-R327 IonicContact OD1-CZ 2.71Å; D209-R327 IonicContact OD1-NH1 3.15Å; D209-R327 PolarHBondContact OD1-NH1 2.81Å; D209-R327 IonicContact OD1-NH2 2.93Å; D209-R327 PolarHBondContact OD1-NH2 3.16Å; S325-R327 PolarHBondContact O-N 2.87Å; S325-R327 PolarHBondContact OG-N 3.23Å; R327-S330 PolarHBondContact O-N 3.2Å; R327-S330 PolarHBondContact O-OG 2.86Å
328T57.3Low49.5Very low98 Ų98111.8 Ų111.860%0.60158%0.577SS**Hα-helixtrans-72.6-31.9179.764.80000113.1S325 T326 S330 S331S325-T328 PolarHBondContact O-N 3.28Å; S325-T328 PolarHBondContact O-OG1 3.06Å; T326-T328 VanDerWaalsContact C-N 3.26Å; T326-T328 PolarHBondContact O-N 2.59Å; T328-S330 VanDerWaalsContact C-N 3.27Å; T328-S330 PolarHBondContact O-N 3.48Å; T328-S331 PolarHBondContact O-OG 2.79Å
329R53.4Low50.1Low123 Ų123111.1 Ų111.146%0.46457%0.57SS.*Hα-helixtrans-66-27.5175.1168.9171.8156.1-97.6-5.6112.7D204 T326 S331D204-R329 IonicContact OD1-CZ 3.15Å; D204-R329 IonicContact OD1-NH1 2.74Å; D204-R329 PolarHBondContact OD1-NH1 3.15Å; D204-R329 IonicContact OD2-CZ 3.98Å; D204-R329 IonicContact OD2-NH1 2.63Å; D204-R329 PolarHBondContact OD2-NH1 3.4Å; D204-R329 IonicContact OD2-NH2 3.33Å; D204-R329 PolarHBondContact OD2-NH2 3.1Å; T326-R329 WeakPolarHBondContact O-CB 3.43Å; T326-R329 PolarHBondContact O-N 3.01Å; T326-R329 VanDerWaalsContact O-N 3.14Å; R329-S331 PolarHBondContact O-N 2.95Å
330S48.4Very low50.8Low20 Ų20111.2 Ų111.214%0.1457%0.568CS.*G310 helixtrans-81.9-4.1-169.375.80000116.5R327 T328 N332 R335R327-S330 PolarHBondContact O-N 3.2Å; R327-S330 PolarHBondContact O-OG 2.86Å; T328-S330 VanDerWaalsContact C-N 3.27Å; T328-S330 PolarHBondContact O-N 3.48Å; S330-N332 VanDerWaalsContact C-N 3.33Å; S330-N332 PolarHBondContact O-N 2.92Å; S330-R335 PolarHBondContact OG-NH2 2.97Å
331S41.6Very low50.8Low93 Ų93112.4 Ų112.465%0.6557%0.565SS**G310 helixtrans-70.9-21.9-173.7530000114.8T328 R329T328-S331 PolarHBondContact O-OG 2.79Å; R329-S331 PolarHBondContact O-N 2.95Å
332N36.3Very low50.8Low145 Ų145107.9 Ų107.978%0.77555%0.545SS*.G310 helixtrans-101.30.4-173.1-66.9-64.1000114.6S330S330-N332 VanDerWaalsContact C-N 3.33Å; S330-N332 PolarHBondContact O-N 2.92Å
333L40.2Very low50.3Low129 Ų129110.7 Ų110.768%0.67555%0.55SS**SBendtrans-115127.2-178-64.2176.6000110.9R335L333-R335 PolarHBondContact O-N 2.99Å
334K36.3Very low48.9Very low216 Ų216114.3 Ų114.394%0.93956%0.564SS**  trans-71.590.4-179-69.4-177.4178.9178.30110.7
335R49.3Very low47.1Very low106 Ų106116.2 Ų116.240%0.458%0.581SS.*  trans-59.5131-179.6-56.4-174.3-169.7175-5112.5S330 L333S330-R335 PolarHBondContact OG-NH2 2.97Å; L333-R335 PolarHBondContact O-N 2.99Å
336P40.9Very low45.1Very low110 Ų110123.6 Ų123.671%0.71461%0.612SS**  trans-63.3132.3159.5-18.132.1000110.2I338P336-I338 PolarHBondContact O-N 2.9Å; P336-I338 VanDerWaalsContact O-N 3.08Å
337K42.7Very low42.9Very low189 Ų189132.5 Ų132.582%0.82265%0.651SS**  trans-79.986.2174-71.7-178.5179.9177.10110.1
338I57.9Low40.9Very low41 Ų41131.6 Ų131.621%0.2167%0.665CS.*  trans-73.1-42.7-177.9-160.765.3000112.5Y144 F206 P336 K340 R341 F342Y144-I338 HydrophobicContact CE2-CD1 4.32Å; Y144-I338 HydrophobicContact CE2-CG1 4.17Å; F206-I338 HydrophobicContact CD1-CG2 4.15Å; F206-I338 HydrophobicContact CE1-CG2 3.86Å; P336-I338 PolarHBondContact O-N 2.9Å; P336-I338 VanDerWaalsContact O-N 3.08Å; I338-K340 PolarHBondContact O-N 3.39Å; I338-R341 PolarHBondContact O-N 2.89Å; I338-F342 HydrophobicContact CD1-CZ 4.09Å; I338-F342 HydrophobicContact CG1-CE2 3.99Å; I338-F342 HydrophobicContact CG1-CZ 3.9Å; I338-F342 VanDerWaalsContact O-CE2 3.29Å; I338-F342 WeakPolarHBondContact O-CE2 3.36Å
339G41.5Very low39.5Very low51 Ų51131.9 Ų131.953%0.52667%0.671SS.*THydrogen-bonded Turntrans-69.425-174.200000117.6
340K46.4Very low38.5Very low190 Ų190131.4 Ų131.483%0.82669%0.686SS**THydrogen-bonded Turntrans-141.5-3.6172.2-75.1-154.1173.5-157.40115.5I338I338-K340 PolarHBondContact O-N 3.39Å
341R36.6Very low37.6Very low212 Ų212138.6 Ų138.680%0.872%0.718SS**  trans-104.939.8-172.7-157.9-156.7-82.3-114.83.6113.2I338I338-R341 PolarHBondContact O-N 2.89Å
342F47Very low37Very low109 Ų109137.7 Ų137.748%0.47872%0.723SS.*SBendtrans-123.417.3-173.4-67.4-65.3000114.2Y144 P162 I338Y144-F342 HydrophobicContact CD2-CZ 4.47Å; P162-F342 HydrophobicContact CB-CE2 4.21Å; P162-F342 HydrophobicContact CG-CE2 4.28Å; P162-F342 HydrophobicContact CG-CZ 4.29Å; I338-F342 HydrophobicContact CD1-CZ 4.09Å; I338-F342 HydrophobicContact CG1-CE2 3.99Å; I338-F342 HydrophobicContact CG1-CZ 3.9Å; I338-F342 VanDerWaalsContact O-CE2 3.29Å; I338-F342 WeakPolarHBondContact O-CE2 3.36Å
343Q38.3Very low36.8Very low174 Ų174139 Ų13981%0.81372%0.724SS**SBendtrans-118.2-19.1177.5-70.8-172.6-30.200114.4
344D27.7Very low36.2Very low154 Ų154140.6 Ų140.682%0.82473%0.734SS**SBendtrans-107.367.6-173.4-49.2-55.7000111.8
345S31.5Very low36.1Very low120 Ų120137 Ų13784%0.83972%0.72SS**  trans-153.839.2174.9-170.40000113.3
346E32.3Very low35.2Very low177 Ų177139.4 Ų139.483%0.82773%0.734SS**  trans-91.6135.9169.3-66.8-173.1138.300110.8
347F29.2Very low34.6Very low193 Ų193140.8 Ų140.885%0.84674%0.74SS**  trans28.1110.5162-70.5-89.3000120.1
348S24.3Very low33.9Very low113 Ų113137 Ų13779%0.7974%0.737SS**  trans-13064.5153.869.50000111.6S350S348-S350 VanDerWaalsContact C-N 3.28Å; S348-S350 PolarHBondContact O-N 3.12Å
349S28.5Very low32.4Very low105 Ų105144 Ų14473%0.73477%0.769SS**  trans-72.380.9168.554.30000110Q351S349-Q351 PolarHBondContact O-N 3.48Å; S349-Q351 VanDerWaalsContact O-N 3.1Å
350S31.3Very low31.7Very low112 Ų112147.6 Ų147.678%0.78378%0.781SS**  trans-78.493-179.358.60000111.5S348 G352S348-S350 VanDerWaalsContact C-N 3.28Å; S348-S350 PolarHBondContact O-N 3.12Å; S350-G352 PolarHBondContact O-N 3.12Å
351Q29.3Very low30.9Very low172 Ų172143.7 Ų143.780%0.80478%0.778SS**  trans-46.8128.2160.4176.4-179.3-13.700110.1S349S349-Q351 PolarHBondContact O-N 3.48Å; S349-Q351 VanDerWaalsContact O-N 3.1Å
352G29.3Very low31.5Very low73 Ų73138.8 Ų138.875%0.75377%0.774SS**  trans-94.9122.1-177.200000113S350S350-G352 PolarHBondContact O-N 3.12Å
353E31.7Very low30.5Very low172 Ų172140.2 Ų140.280%0.80479%0.791SS**  trans-137.4102.8164.6-73.2-165.1146.200111.4
354D28.9Very low30Very low163 Ų163136 Ų13687%0.87279%0.786SS**  trans51-178.3145.8-129.7-46.9000121.6
355E33.6Very low30Very low141 Ų141134.2 Ų134.266%0.65979%0.786SS**  trans-120.7171.2-145.1-158.5-15583.600114.2
356K30.5Very low29.9Very low157 Ų157135.6 Ų135.668%0.68378%0.783SS**  trans85.2145.4168.2-52.8174179.9560115.6
357T28.3Very low29.6Very low138 Ų138134.4 Ų134.485%0.84778%0.782SS**  cis-147.1153.23.8-14.50000111.2
358S27.8Very low29.6Very low110 Ų110134.4 Ų134.477%0.76978%0.782SS**  trans-88.8143.7173.8-37.20000112.6
359Q26.4Very low30Very low188 Ų188136.1 Ų136.188%0.87978%0.781SS**  trans-164.1126.5142.6-113.3170.840.100116
360T26.8Very low30.1Very low127 Ų127138.3 Ų138.378%0.77978%0.78SS**  trans7.8135.5149.449.70000123.2
361S30.2Very low29.9Very low108 Ų108138.9 Ų138.976%0.75578%0.784SS**  trans-79.9-165.9154.161.80000111.1
362P49.3Very low29.8Very low109 Ų109136.8 Ų136.871%0.70878%0.783SS**  cis-141.3-162.71.443-22.7000115.2
363T25Very low29.6Very low138 Ų138137.9 Ų137.985%0.84779%0.785SS**  trans137.6150.9141.7-52.70000113.4
364A27.3Very low29.5Very low85 Ų85140.6 Ų140.670%0.70279%0.788SS**  trans-120.3164.9-167.200000114.5
365S28.2Very low29.9Very low117 Ų117138.4 Ų138.482%0.81878%0.783SS**  trans-179.6136.7137.4-84.30000116.4
366L28.6Very low29.6Very low150 Ų150136.5 Ų136.579%0.78579%0.785SS**  trans3.3139.4149.8-63.9160000121
367N27.3Very low29.4Very low151 Ų151137.2 Ų137.281%0.80779%0.791SS**  176.4155103.5-97.4-66.2000117.4
368K28.2Very low29.3Very low193 Ų193135.7 Ų135.784%0.83979%0.786SS**  trans79.7107.7148-110.9-177.3177.3-178.40125.1
369L32.7Very low29.5Very low149 Ų149134.5 Ų134.578%0.7878%0.778SS**  -19.5157.6126.2-74.8156.4000116.9
370E32.3Very low29.6Very low151 Ų151133.6 Ų133.671%0.70677%0.773SS**  cis-174.9157.24.5160.9177.4-15900110.4
371S26Very low29.6Very low124 Ų124135.6 Ų135.687%0.86777%0.774SS**  trans-168.9131.5151.3-84.40000116.5
372T26.7Very low29.5Very low129 Ų129139.2 Ų139.279%0.79178%0.776SS**  trans-59.3156171.1-40.90000112.4
373A25.9Very low28.5Very low96 Ų96141.2 Ų141.279%0.79378%0.78SS**  -162.5-179.85000000117.4
374R29.1Very low29Very low229 Ų229142.9 Ų142.986%0.86478%0.778SS**  trans-101.3177-177.7-91.9-165.1-167-158.67.9112.2
375P37.6Very low28.9Very low117 Ų117148.3 Ų148.376%0.7679%0.789SS**  cis-121.2162.831.412.415.1000116
376S27.8Very low28.9Very low101 Ų101150.8 Ų150.871%0.70679%0.788SS**  70.7140.971.4-134.70000112.8
377E26.5Very low29.5Very low171 Ų171148.5 Ų148.580%0.79978%0.782SS**  cis-144.7160.331-53.3174.4113.500114.8
378S25.5Very low29.6Very low107 Ų107149.4 Ų149.475%0.74878%0.781SS**  trans33.9155.5137.563.40000124.7
379S32.4Very low30Very low85 Ų85148.8 Ų148.859%0.59478%0.781SS**  cis-177.2164-24.556.30000110
380E28.8Very low29.7Very low168 Ų168152.7 Ų152.779%0.78579%0.786SS**  trans60153.5154.3-72.5147.6136.600119.7
381E27.1Very low29.4Very low169 Ų169148.8 Ų148.879%0.7979%0.786SS**  cis-156.3178.1-21.4-173.9162.1-15900109.2
382F27.6Very low29.6Very low184 Ų184150.7 Ų150.781%0.80779%0.785SS**  trans-59.7167.2174.7-68.3-106.4000113.2
383L28.5Very low29.8Very low151 Ų151152.9 Ų152.979%0.79179%0.786SS**  -162-175.557.2-95.9174.1000114.4
384E35.2Very low30Very low174 Ų174158.3 Ų158.381%0.81379%0.792SS**  trans-72.6155.6-176.9-53.6160.9116.200115
385E25.3Very low30.2Very low199 Ų199156.1 Ų156.193%0.9379%0.792SS**  -173.3147.8129.1-108.3-178.9167.100113.6
386E29Very low29.7Very low169 Ų169157.9 Ų157.979%0.7979%0.794SS**  trans-109.3165.4155.1-129.8-141.4100.300105.9
387P40.3Very low30Very low101 Ų101161 Ų16166%0.65680%0.798SS**  cis-153.1-159.637.442.1-18.1000117
388E29.7Very low30.1Very low171 Ų171157.9 Ų157.980%0.79980%0.795SS**  trans92.6161.8144.2-98.1-171.5-138.400122.1
389Q36.5Very low30.5Very low179 Ų179158.4 Ų158.484%0.83680%0.798SS**  trans-115.5150.1-159.2-59.9171.2-33.200113.5
390R26.6Very low30.6Very low232 Ų232160.1 Ų160.188%0.87580%0.801SS**  trans-157.7141.6151.1-156156.7-65.1-138.70.1112.9
391G25.2Very low30.9Very low69 Ų69160 Ų16071%0.71180%0.798SS**  trans-109.6161.4168.400000112.1
392I31.1Very low31Very low163 Ų163159 Ų15984%0.83680%0.798SS**  trans-141.4135.5174.4-64.1-178.1000108.6
393E29.5Very low31Very low176 Ų176154.4 Ų154.482%0.82279%0.794SS**  trans-98.9160.4171.9-58.2171.7132.300110.4
394F30.6Very low31Very low209 Ų209157.8 Ų157.892%0.91780%0.796SS**  trans-168.5157.2134.8-108.6-68.6000111.6
395E33.4Very low31Very low184 Ų184155.2 Ų155.286%0.8680%0.795SS**  trans-101.3176.8-173.2-51.5-178.4110.900113.3
396D27Very low31Very low153 Ų153149.6 Ų149.682%0.81878%0.783SS**  trans-155.2163.3136.4-150.81.5000113.9
397E34Very low30.8Very low168 Ų168148.8 Ų148.879%0.78578%0.783SS**  trans-47.4159.9-172-77.2-17138.700119
398S29.6Very low30Very low105 Ų105152.9 Ų152.973%0.73479%0.793SS**  cis-170.1144.947.626.50000116.3
399S32.2Very low29.6Very low117 Ų117150.7 Ų150.782%0.81879%0.792SS**  trans11.9151.7137.6179.80000122.9
400D34.3Very low30Very low121 Ų121147.3 Ų147.365%0.64779%0.785SS**  cis179.4168.8-21-171.714000108.8
401K35.6Very low30.3Very low165 Ų165141.5 Ų141.572%0.71778%0.778SS**  trans74.5144.2157.6-56-145.7-178.9-171.10120.7
402D30.3Very low30.2Very low150 Ų150146.3 Ų146.380%0.80278%0.782SS**  cis-165.9-177.2-19.2-146.6-35.1000111.1
403A26.9Very low29.9Very low87 Ų87144.7 Ų144.772%0.71977%0.77SS**  trans91.5134.4155.500000121.5
404R29.2Very low29.7Very low221 Ų221143.8 Ų143.883%0.83477%0.766SS**  trans-128.2165165-50.3-167.2-51.2148.96.6109.9
405P34.5Very low29.6Very low121 Ų121142 Ų14279%0.78676%0.758SS**  -135.3154.2102.116.65.4000112.3
406A24.8Very low29.3Very low81 Ų81141.3 Ų141.367%0.66976%0.755SS**  61148.782.200000115.2
407L24.7Very low29.4Very low152 Ų152141.1 Ų141.180%0.79675%0.754SS**  cis177.5130-23.6168138.2000107
408E23.3Very low29Very low186 Ų186136.4 Ų136.487%0.86975%0.751SS**  trans-179.2171.2153.8-108.7166.5-148.400113.3
409T22.2Very low29.1Very low126 Ų126140.5 Ų140.577%0.77376%0.758SS**  trans-152.9-173.3-158.8-300000111.9
410P44.8Very low29Very low108 Ų108144.7 Ų144.770%0.70176%0.761SS**  -82.2-164.5-106.345.2-30.4000114.3
411P33.2Very low28.8Very low110 Ų110148 Ų14871%0.71477%0.773SS**  -114.9166.562.5-2.527.2000113.9
412Q23.2Very low28.5Very low170 Ų170145.6 Ų145.679%0.79478%0.777SS**  61.1135.572.7-130.3175.6-26.700111.8
413Q24.9Very low28.3Very low128 Ų128147.8 Ų147.860%0.59878%0.782SS**  cis-169.5155.737.5-174.1172.2-25.200111.6
414E24.7Very low28.6Very low157 Ų157151.1 Ų151.173%0.73479%0.787SS**  trans53.5169.6159-78.3150.2-157.100121.2
415K28.3Very low28.4Very low173 Ų173149.2 Ų149.275%0.75279%0.788SS**  cis-176.3157.8-48.7-152.3-177.1-175.3-172.70107.1
416Q28Very low28.4Very low168 Ų168149.9 Ų149.979%0.78579%0.792SS**  trans64.5162.4167.3-75.6-175.9-67.500116.2
417D27.6Very low28.5Very low149 Ų149154.3 Ų154.380%0.79780%0.801SS**  cis-161.4165.4-37.7-149.9-22.5000107.2
418G27Very low28.8Very low70 Ų70154.3 Ų154.372%0.72280%0.802SS**  trans145.2106.3169.400000115.7
419E31.7Very low29Very low190 Ų190149 Ų14989%0.88880%0.797SS**  trans-74.6144.7170.9-60.2165.4125.600111.4
420K30Very low29.3Very low205 Ų205152 Ų15289%0.89180%0.803SS**  trans-145.7137.3148.7-81.5-149.9171.6-164.10110.3
421E28.9Very low28.5Very low192 Ų192154.2 Ų154.290%0.89781%0.807SS**  trans-73.5154.1174.1-62.7160.4122.800110.6
422S29.6Very low28.8Very low113 Ų113157.6 Ų157.679%0.7982%0.815SS**  trans-124.6104.8169.4-68.70000109.2
423E27.7Very low29.4Very low197 Ų197156.3 Ų156.392%0.92181%0.814SS**  trans-64.3146.4166.6-168.2170.6-171.100109.9
424L31.3Very low29.7Very low157 Ų157158.2 Ų158.282%0.82283%0.828SS**  trans-121.1135.4-177.1-70.7177000111.4
425E26.9Very low29.9Very low181 Ų181155.6 Ų155.685%0.84683%0.827SS**  trans-68.7137.1-174.1-57.7169123.200113.1M427E425-M427 PolarHBondContact O-N 3.38Å
426P32.6Very low30.1Very low134 Ų134155.8 Ų155.887%0.8784%0.835SS**  trans-85.889.3164.133.3-31000110.7N428P426-N428 PolarHBondContact O-N 3.02Å
427M27.6Very low30.2Very low174 Ų174157.1 Ų157.186%0.85784%0.839SS**  trans-90.693.7175.8179.164.9175.400111.7E425E425-M427 PolarHBondContact O-N 3.38Å
428N30.3Very low30.2Very low153 Ų153156.8 Ų156.882%0.81884%0.842SS**  trans-162.6128.6146-138.827.4000110.2P426P426-N428 PolarHBondContact O-N 3.02Å
429G29.3Very low30.4Very low75 Ų75158.6 Ų158.677%0.77384%0.844SS**  trans-146.3143.5178.200000111.8
430E27.8Very low30.1Very low189 Ų189157.9 Ų157.988%0.88385%0.845SS**  trans-144.6108.8152.8-167.2161.5-143.800107.3
431I27.7Very low30Very low154 Ų154155 Ų15579%0.7984%0.838SS**  trans-114.6133.6165.5-81.9172.4000104.8
432M40.1Very low29.9Very low180 Ų180152 Ų15289%0.88783%0.832SS**  trans-113.6122.6165.8-160.3175.377.600106.6
433D35Very low29.9Very low143 Ų143155.5 Ų155.577%0.76584%0.837SS**  trans-68.2149-178.1-67.4-69.5000111.6
434D31.9Very low30.1Very low169 Ų169154.7 Ų154.790%0.90483%0.833SS**  trans-132.6134.4155.1-135.5-28.3000109.2
435S29.5Very low30.1Very low101 Ų101155.6 Ų155.671%0.70683%0.833SS**  trans-110.7104.5-154.4165.40000113.6
436L31.8Very low30Very low177 Ų177154.8 Ų154.893%0.92783%0.834SS**  trans-128.1123.9156.9-70.8177.4000110.5
437K30.5Very low30Very low197 Ų197152.5 Ų152.586%0.85782%0.821SS**  trans-137.3105.4-178.9-165.8173.8-171.2173.60110.4
438T26.5Very low29.9Very low142 Ų142150.5 Ų150.587%0.87182%0.819SS**  trans-117.5131.9171.9-18.30000108.7
439S31.1Very low29.8Very low108 Ų108148.1 Ų148.176%0.75581%0.814SS**  trans-86.5141.1-170.7-48.40000112.5
440L26.3Very low29.8Very low175 Ų175152.8 Ų152.892%0.91682%0.816SS**  trans-142.6170.2143.4-141.276.4000110.4
441I27.7Very low29.9Very low143 Ų143151 Ų15173%0.73381%0.811SS**  trans-100.5144-155.8-70160.9000111.5E443I441-E443 HydrophobicContact CG2-CG 4.44Å
442T26.2Very low30Very low129 Ų129151.4 Ų151.479%0.79181%0.814SS**  trans-78.1122.6163.247.40000110.6
443E30Very low29.5Very low188 Ų188149.9 Ų149.988%0.87981%0.81SS**  trans-118.1131.2151.7-66.6-170.316300107I441I441-E443 HydrophobicContact CG2-CG 4.44Å
444E32.3Very low29.2Very low179 Ų179152.3 Ų152.384%0.83682%0.816SS**  trans-115.1146.3-179.4-85.3-171.5151.100110.7
445E32.3Very low29Very low176 Ų176151.8 Ų151.882%0.82281%0.808SS**  trans50.4120.9161.6-59.3-166.2144.400119.9
446D24.2Very low29Very low165 Ų165154.2 Ų154.288%0.88281%0.813SS**  -141155.5115.3-147.3-19.3000110.3
447S31.2Very low29Very low85 Ų85154.5 Ų154.559%0.59481%0.806SS**  trans-110.2153.3-172.9-75.20000112.4
448T26Very low28.9Very low133 Ų133153 Ų15382%0.81681%0.807SS**  175.9130.4123.327.90000116.9
449S29Very low28.8Very low102 Ų102154.8 Ų154.871%0.71381%0.805SS**  trans76.8157131.872.70000123.6
450E29Very low29.6Very low174 Ų174154 Ų15481%0.81380%0.798SS**  trans65.1101.7168.8-50.7-162.7153.700116
451I30.1Very low29.5Very low151 Ų151154 Ų15477%0.77479%0.79SS**  65.5102.250.3-48.6170.7000113
452L29.1Very low29.5Very low163 Ų163154 Ų15485%0.85379%0.792SS**  -170.8132116.5-101.1174.7000111.3
453D29.2Very low29.8Very low148 Ų148153.2 Ų153.279%0.79179%0.792SS**  trans-73.6144.5157.8-55.3-96.4000109.7
454E28.6Very low30Very low194 Ų194148.9 Ų148.991%0.90778%0.783SS**  -157.6158.8121.4-128.2-179111.400113.8
455E29.6Very low30.1Very low157 Ų157149 Ų14973%0.73478%0.783SS**  trans-70.7154.4-176.6-156-171.8131.600112.5
456L29.1Very low29.9Very low153 Ų153147 Ų14780%0.80178%0.778SS**  173.3155.7115.4-90.7169.1000114.7
457K32.1Very low30.3Very low182 Ų182143.1 Ų143.179%0.79176%0.764SS**  trans-93.3170.5171.4-71.8170.8176.9164.10111.3
458L27Very low30.2Very low167 Ų167144.9 Ų144.987%0.87477%0.771SS**  trans115.6118.4147.4-58.6178.4000117.1
459Q25.4Very low30.4Very low179 Ų179145 Ų14584%0.83677%0.767SS**  trans-82.5176.5145.8-80.2-170.8-17.500109.8
460P47.8Very low30.5Very low92 Ų92147.1 Ų147.160%0.59777%0.769SS**  cis-132.8-170.8-13.218.77.2000114.4
461F23.7Very low30.6Very low173 Ų173145 Ų14576%0.75977%0.768SS**  trans115.5121.2148.1-68.9-69.3000119.9
462N28Very low30.9Very low144 Ų144143.3 Ų143.377%0.7777%0.767SS**  39.3146.8126.2-61.79.7000120.7
463S32.9Very low30.8Very low113 Ų113143.7 Ų143.779%0.7977%0.769SS**  cis-159.9-164.39.845.30000108.5
464S32.8Very low30.6Very low97 Ų97142.2 Ų142.268%0.67877%0.765SS**  cis-169.9-177.832.864.10000110.1
465E34.2Very low30.5Very low181 Ų181138.9 Ų138.985%0.84676%0.758SS**  cis-109.3-99.51.8-68.7-17161.600113.3
466D29.8Very low30.4Very low133 Ų133139.3 Ų139.371%0.71176%0.76SS**  cis-155.8167.9-0.8179.746000111.9
467S31Very low30.5Very low84 Ų84137.1 Ų137.159%0.58776%0.757SS**  trans49.970.3160.7-68.90000119.9
468T30.8Very low30.3Very low122 Ų122134 Ų13475%0.74876%0.759SS**  67.712312757.40000124.1
469N30.2Very low30.6Very low135 Ų135135 Ų13572%0.72276%0.756SS**  trans83.191130.4-67.5-30.8000124.1
470L30.6Very low30.7Very low147 Ų147132.4 Ų132.477%0.7775%0.747SS**  66.3103.6119.9-64.6174.5000123.4
471V29.8Very low29.8Very low130 Ų130132 Ų13279%0.78875%0.746SS**  63.9125.6129.3-1750000120.6
472P38.2Very low30.2Very low116 Ų116131.9 Ų131.975%0.75375%0.748SS**  trans-104.7152.9-177.339.6-34.5000115.8
473L25.8Very low30.3Very low171 Ų171129 Ų12990%0.89574%0.744SS**  trans-166.2163159-147.168.9000113.5
474V24.9Very low30Very low116 Ų116131.1 Ų131.170%0.70375%0.746SS**  trans88.794.4155.5-179.80000120.8
475V26.9Very low30Very low125 Ų125130.2 Ų130.276%0.75875%0.745SS**  88.4141.8121.7168.30000123.3
476E28.3Very low30.9Very low166 Ų166127.1 Ų127.178%0.77674%0.74SS**  trans-92175.2176.6-27.7117.2102.200113.5
477S30.3Very low30.8Very low107 Ų107126.2 Ų126.275%0.74874%0.735SS**  trans-174.4116131.6-91.40000116.8
478S28.5Very low30.9Very low117 Ų117129.3 Ų129.382%0.81874%0.738SS**  trans175.5120.4136.223.50000106.7
479K33.2Very low31.1Very low188 Ų188129.7 Ų129.782%0.81774%0.741SS**  cis63.613535.9-72.8-173.6168-175.80113.7
480L27Very low32.4Very low124 Ų124128.6 Ų128.665%0.64974%0.741SS**  cis-153.1155.323.7-163.577.3000113.4
481S29.3Very low32.3Very low82 Ų82133.2 Ų133.257%0.57375%0.748SS**  trans60.5145.3146.154.10000122.6
482E31.1Very low32.7Very low172 Ų172134.1 Ų134.180%0.80475%0.747SS**  cis-177164.2-23.6-119.6108.866.300105.1
483A29.7Very low33.1Very low82 Ų82134.5 Ų134.568%0.67875%0.749SS**  cis-136.9-146.50.500000107.3
484D28.3Very low33.9Very low158 Ų158133.5 Ų133.585%0.84575%0.745SS**  cis-155.8-175.10.6-145.5-30.4000110.5
485A32.8Very low34.4Very low78 Ų78132.5 Ų132.565%0.64574%0.743SS**  trans-146-166.2-17300000110.8
486P52.8Low34.9Very low117 Ų117134.2 Ų134.276%0.7674%0.743SS**  cis-124-163-8.740.7-19.7000111.5
487D26.8Very low35.1Very low113 Ų113133.3 Ų133.360%0.60474%0.74SS**  cis-167.2147.442.4-153.327.9000117.9
488K33.8Very low35.3Very low149 Ų149134.3 Ų134.365%0.64874%0.737SS**  trans43.6111.3146.3-84.4-178.3-145.972.90126.2
489T35.8Very low35.4Very low131 Ų131135.5 Ų135.580%0.80473%0.731SS**  82.5154.912054.40000124.1
490P56.7Low35.2Very low112 Ų112134 Ų13473%0.72773%0.732SS**  trans-127.1-175.9-165.544.3-28.8000115.7
491R29.1Very low35.4Very low243 Ų243136.4 Ų136.492%0.91774%0.74SS**  trans177.4163.2131-84.8-111.1-179.8174.3-0.2114.4
492I37.9Very low35.3Very low149 Ų149136.1 Ų136.176%0.76475%0.75SS**  trans-91.6147.4-178.7-71.1158.8000109
493P46.5Very low35.1Very low124 Ų124133.6 Ų133.681%0.80575%0.747SS**  -155.4175.175.442.6-20.7000120.2
494D41.8Very low35.1Very low151 Ų151134.4 Ų134.481%0.80775%0.748SS**  trans-88.7161.5177.6-41.5-92.8000114.6
495S36.8Very low35.2Very low95 Ų95133.8 Ų133.866%0.66474%0.744SS**  178.8137.1126.4-133.90000116.5
496E36.4Very low35Very low161 Ų161136.5 Ų136.575%0.75275%0.753SS**  71.1144.8129.2-84.9169.2143.100128.6
497M31.7Very low34Very low146 Ų146139.7 Ų139.772%0.71975%0.754SS**  trans73.4156.7143.8-75.9-170.572.300122.5
498L34.3Very low33.9Very low128 Ų128138.1 Ų138.167%0.6777%0.765SS**  cis-173.9172.1-41.5-118.9-177000110
499M31.9Very low33.6Very low143 Ų143139.3 Ų139.370%0.70477%0.772SS**  trans70.6163.9170.5-37.4-49.3-171.300116.4
500D29.8Very low33.3Very low155 Ų155138.1 Ų138.183%0.82977%0.765SS**  cis-147.9174.65.1-151.6-4.4000113.4
501E29.4Very low31.8Very low175 Ų175140.7 Ų140.782%0.81877%0.767SS**  trans-83.9158.2-177.2-160.7174.3121.200113.9
502G27.9Very low31.6Very low77 Ų77136.2 Ų136.279%0.79476%0.757SS**  trans-168.4102.1-178.500000116
503T27.8Very low31Very low119 Ų119136.1 Ų136.173%0.7375%0.751SS**  trans-83.8163.3-162.4-28.10000116.8
504S29.1Very low30Very low99 Ų99137.8 Ų137.869%0.69275%0.752SS**  trans66.899.4148.552.90000121.3
505D29.8Very low29.2Very low144 Ų144135.3 Ų135.377%0.7775%0.747SS**  28.3126.3102.1-172.324.8000119.4
506V28.3Very low28.8Very low136 Ų136138.3 Ų138.382%0.82475%0.754SS**  -162.1143.2127.5133.30000111.9
507K32.3Very low28.6Very low184 Ų184138.2 Ų138.280%0.876%0.758SS**  trans-56.2141.8177.2-66169.6177.1171.50114.7
508G25.8Very low28.7Very low80 Ų80136.6 Ų136.683%0.82576%0.759SS**  trans-134.6131.4158.900000110.4
509H27.2Very low28.4Very low173 Ų173141 Ų14180%0.80177%0.767SS**  trans-100.4174.5-171.3-113.1-91000113.2
510T28Very low28.3Very low106 Ų106143.1 Ų143.165%0.6577%0.772SS**  trans80.6125.614831.20000121.6
511E26.1Very low28.4Very low166 Ų166145.4 Ų145.478%0.77677%0.774SS**  trans77.3115.7132.1-75.5167.1-165.200123
512E24.8Very low28.4Very low150 Ų150140.9 Ų140.970%0.70177%0.767SS**  62.7150.1125.8-78.2-143.1110.800123.9
513K25.7Very low28.3Very low147 Ų147145 Ų14564%0.63977%0.765SS**  trans62.594.2153.6-73.1175.5177.872.90118.9
514L25.3Very low28.4Very low159 Ų159146.9 Ų146.983%0.83277%0.77SS**  42.3114.1105.8-61.8172.1000115.5
515S24.8Very low28.3Very low99 Ų99145.6 Ų145.669%0.69277%0.773SS**  159.2173.16051.20000113.4
516L27.5Very low28.2Very low157 Ų157144.7 Ų144.782%0.82278%0.778SS**  trans80.6104.1148.2-77.6163.7000122.7
517L32.8Very low28.4Very low159 Ų159143 Ų14383%0.83277%0.772SS**  trans-20.8148.5138.4-71.1158.7000118.3
518P33.9Very low28.3Very low113 Ų113140.4 Ų140.473%0.73477%0.767SS**  trans-101130168.735.6-30.2000115.3
519R28.5Very low28.6Very low221 Ų221143.4 Ų143.483%0.83476%0.763SS**  trans57.8125.2146.1-74.7177166.4174.8-3.6117.1
520K28.6Very low28.5Very low187 Ų187140.9 Ų140.981%0.81376%0.76SS**  cis-146.6-174.824.7-32.581.1-146.7141.40107.5
521K31.9Very low28.5Very low202 Ų202140.2 Ų140.288%0.87877%0.765SS**  cis-166.3159.51.1-124.2-136.1173.8-178.30104.2
522A29.7Very low28.5Very low80 Ų80138.6 Ų138.666%0.66177%0.767SS**  cis-174.4174.4-25.800000108.9
523H26.2Very low28.9Very low165 Ų165140.2 Ų140.276%0.76478%0.777SS**  trans80.892.3159.6-141.7-79.7000120.1
524L29.9Very low29Very low157 Ų157138.5 Ų138.582%0.82278%0.783SS**  trans51.6133.2144.8-80.768.1000122.9
525G26.6Very low29.1Very low73 Ų73138.2 Ų138.275%0.75378%0.778SS**  trans111.8109.2159.200000113.2
526S28.7Very low29.4Very low125 Ų125141 Ų14187%0.87478%0.779SS**  cis70.2122.549.7-161.20000112.4
527S32.3Very low29.5Very low100 Ų100139.6 Ų139.670%0.69977%0.769SS**  cis-153.2170.83.7-161.50000110.9
528D29.4Very low29.5Very low130 Ų130141.1 Ų141.170%0.69576%0.763SS**  trans-61157.4176.2-35.6-94.2000114.8
529N32.2Very low29.3Very low142 Ų142140.5 Ų140.576%0.75976%0.762SS**  170.7148.4104.6-92.9-64.1000116.9
530V26.2Very low29.3Very low120 Ų120136.8 Ų136.873%0.72776%0.759SS**  trans56.597.4137.9-178.90000120.7
531A27.3Very low29.3Very low92 Ų92133 Ų13376%0.7676%0.756SS**  59.6167.2116.900000123.8
532T27.2Very low29.1Very low133 Ų133126.8 Ų126.882%0.81675%0.748SS**  trans116.6127149-40.20000116.2
533M32.9Very low29.5Very low183 Ų183133.1 Ų133.190%0.90176%0.762SS**  trans-67.9139.7179.2-52-127.9-62.700114.3
534S28.3Very low30.2Very low111 Ų111131.2 Ų131.278%0.77676%0.764SS**  trans-161.9116.1145.952.80000107.7
535H27.3Very low30.1Very low154 Ų154131.5 Ų131.571%0.71377%0.766SS**  81.2120.260.4-151.8-94.1000112.6
536E29.8Very low30.3Very low157 Ų157132.9 Ų132.973%0.73476%0.764SS**  trans60.4153168-72.7166.7151.600117.5
537E29.7Very low30.3Very low127 Ų127132.6 Ų132.659%0.59376%0.757SS**  cis-155.51681.5-136.1-159.1146.100110.9
538R32.1Very low30.1Very low192 Ų192135.4 Ų135.473%0.72576%0.763SS**  trans59.5138.5149.9-84.1175.1158.8104.17.4123.1
539S30.8Very low30.2Very low100 Ų100132.9 Ų132.970%0.69976%0.76SS**  16.7151.4121.9-44.80000120.4
540D27.4Very low30.1Very low143 Ų143134.5 Ų134.577%0.76576%0.763SS**  cis-150.1177.625.1-143.8-47.8000113.6
541S29.8Very low30.4Very low108 Ų108136.6 Ų136.676%0.75576%0.762SS**  trans-57.7165.7167.560.30000115.1
542G28.2Very low30.4Very low70 Ų70137.8 Ų137.872%0.72277%0.765SS**  trans142.996.8159.700000115.9
543F37.7Very low30.7Very low214 Ų214138.9 Ų138.994%0.93976%0.761SS**  trans-74.3141.2156.1-68.8-89.1000110
544P40.5Very low30.6Very low125 Ų125137.9 Ų137.981%0.81275%0.754SS**  trans-111.2161.4146.936-28.8000110.9
545N28.8Very low31.5Very low162 Ų162138 Ų13887%0.86675%0.753SS**  trans-139146.5-170.5-1596.5000111.5
546S29.5Very low31.6Very low103 Ų103135.7 Ų135.772%0.7275%0.749SS**  trans68164.2173.3-142.30000115.3
547V30Very low31.6Very low119 Ų119132 Ų13272%0.72174%0.74SS**  cis-147.8172.418.6-157.50000110.6
548I28Very low31.6Very low159 Ų159133.7 Ų133.782%0.81575%0.748SS**  trans79.6126166-57.8166.4000113.4
549A29.9Very low31.6Very low77 Ų77130.7 Ų130.764%0.63675%0.747SS**  cis-158-162.2-700000108
550E30.6Very low31.6Very low175 Ų175133.4 Ų133.482%0.81875%0.752SS**  cis-155.3-144.911.8-152.3146.8-95.600112
551F33.5Very low32Very low164 Ų164131.9 Ų131.972%0.71975%0.753SS**  trans-130.5153.1-154.4-86.3-100.3000118.1E553F551-E553 HydrophobicContact CD1-CG 4.08Å
552S26.6Very low32.6Very low118 Ų118132.2 Ų132.283%0.82575%0.753SS**  trans-175.188.3134-71.60000107.1
553E32.7Very low32.6Very low155 Ų155135.8 Ų135.872%0.72476%0.755SS**  59.8107.892.4-62.5-172.217200113F551F551-E553 HydrophobicContact CD1-CG 4.08Å
554E30.9Very low32Very low162 Ų162131.3 Ų131.376%0.75775%0.745SS**  80.9159.969-81.4-155.7170.300114.2V556E554-V556 HydrophobicContact CG-CG2 4.18Å; E554-V556 WeakPolarHBondContact OE1-CG2 3.27Å
555P47.9Very low31.5Very low115 Ų115131.7 Ų131.775%0.74775%0.745SS**  cis-112161.88.512.713000114.6
556V29.4Very low31.4Very low105 Ų105128.8 Ų128.864%0.63674%0.738SS**  cis79.8129.346.2163.90000111.9E554E554-V556 HydrophobicContact CG-CG2 4.18Å; E554-V556 WeakPolarHBondContact OE1-CG2 3.27Å
557S29.4Very low31.4Very low78 Ų78128.9 Ų128.955%0.54574%0.739SS.*  cis-160.5166.611.4-134.80000116.3
558E30.3Very low31.4Very low164 Ų164129.5 Ų129.577%0.76674%0.737SS**  trans44.6161.1133.6-72.4168.1119.500124.5
559N31.8Very low31.7Very low129 Ų129129.6 Ų129.669%0.6973%0.734SS**  cis-173.3167.5-38.5-128-31.8000110.8
560L31.6Very low31.7Very low157 Ų157132 Ų13282%0.82274%0.736SS**  trans58.8125.9154.9-65.3166000121.4
561S34.7Very low31.9Very low111 Ų111132 Ų13278%0.77674%0.737SS**  trans-76.9159156.5-46.30000111.1
562P42.3Very low31.7Very low115 Ų115127.3 Ų127.375%0.74773%0.734SS**  -153.6153.493.339.1-21.1000118.1
563N28.5Very low32.2Very low145 Ų145130.9 Ų130.978%0.77574%0.738SS**  trans43.1138.6141.6-65.2-4.2000124.9
564T26.2Very low32.2Very low119 Ų119132.8 Ų132.873%0.7375%0.747SS**  trans84.5116.5139.339.10000123.3
565T28.9Very low32.1Very low133 Ų133128.8 Ų128.882%0.81675%0.749SS**  trans82.7142.3139.260.50000122.9
566S26.7Very low31.2Very low102 Ų102130 Ų13071%0.71375%0.754SS**  trans89.4109.1135.8-177.10000121.5
567S29.2Very low31.2Very low105 Ų105130.6 Ų130.673%0.73476%0.763SS**  trans67.6156.1143.8-88.10000119.5
568L31.5Very low31.3Very low132 Ų132135.6 Ų135.669%0.69178%0.778SS**  cis-159.1166.7-17.8-125.4172.9000107.2
569E32.3Very low32.1Very low161 Ų161132.9 Ų132.975%0.75277%0.774SS**  trans64.4157.8166.1-74139-154.800116.4
570D31.6Very low32Very low126 Ų126134.1 Ų134.167%0.67478%0.776SS**  cis-142.2167.711.5-157.716.9000115.4
571Q34.3Very low32Very low177 Ų177134.2 Ų134.283%0.82777%0.772SS**  trans-28.5162.8-178.7-73.5159.39400124
572G30.1Very low31.8Very low65 Ų65134.7 Ų134.767%0.6777%0.77SS**  trans150.886.3166.200000110.9
573E36.3Very low31.1Very low193 Ų193133.7 Ų133.790%0.90277%0.766SS**  52.913895.6-70.5-169.2160.700115.3
574E32.6Very low31.1Very low194 Ų194132.8 Ų132.891%0.90777%0.766SS**  cis-166.3141.1-21.2-176.2-177.6-149.500105.5
575G28.6Very low31.2Very low78 Ų78131.6 Ų131.680%0.80477%0.768SS**  trans172.792.7-179.300000118.5
576V29.3Very low31.4Very low140 Ų140133.1 Ų133.185%0.84877%0.77SS**  trans-66.5137.7174.1173.60000113.2
577S29.3Very low32.1Very low118 Ų118134.2 Ų134.283%0.82578%0.775SS**  trans178.7112.1132-78.40000115.3
578E31Very low32.4Very low184 Ų184137.9 Ų137.986%0.8678%0.781SS**  trans-120.7172.4149.2-112.4-167.2175.800106.2
579P47.9Very low32.2Very low106 Ų106136.7 Ų136.769%0.68878%0.783SS**  cis-150.5-152.233.938.5-12.6000115.7
580Q29.2Very low31.9Very low156 Ų156134.7 Ų134.773%0.72979%0.787SS**  trans90.2110.1167.4-62.7-161.7-87.600116.6
581E32.5Very low32.1Very low158 Ų158136.4 Ų136.474%0.73880%0.796SS**  104.5136.452.2-92.5-175.916000109.6
582T29.4Very low31.7Very low122 Ų122136 Ų13675%0.74880%0.798SS**  cis-147.9-167.8-5.146.90000107.7
583S27.3Very low31.6Very low93 Ų93141.1 Ų141.165%0.6580%0.804SS**  cis-161.7172.710.5-149.40000115.4
584T29.3Very low31.2Very low126 Ų126138.1 Ų138.177%0.77380%0.799SS**  trans-28.2158.1154.7610000118.6
585A27.3Very low31.1Very low95 Ų95136.9 Ų136.979%0.78579%0.793SS**  cis-161.6170.127.300000114.6
586L33.4Very low31.3Very low164 Ų164139.9 Ų139.986%0.85979%0.79SS**  trans-96.6164.9163.6-75.7164.8000111.5
587P41.4Very low31.2Very low126 Ų126140.8 Ų140.882%0.81879%0.785SS**  -143.3-174.8103.739.6-25.2000115.1
588Q35.5Very low31Very low182 Ų182142.9 Ų142.985%0.8579%0.787SS**  trans-92.7159.7-173.5-51.8158.8-78.400113.1
589S27.4Very low31Very low106 Ų106138.5 Ų138.574%0.74177%0.772SS**  157.3154.1106.858.40000116.5
590S27.4Very low30.6Very low119 Ų119139.7 Ų139.783%0.83278%0.78SS**  trans65.2138.215157.60000122.3
591L34.7Very low30.5Very low163 Ų163141.3 Ų141.385%0.85379%0.785SS**  trans-113.8133.4168.4173.5170.3000106.9
592I26.7Very low30.4Very low169 Ų169139 Ų13987%0.86779%0.786SS**  trans-158.1163.3164.9-126.5165.6000112.7
593E27.8Very low30.5Very low172 Ų172140 Ų14080%0.80478%0.782SS**  trans-111.4-174-167.2-176.4172.5-149.400111.9
594V27.8Very low30.6Very low130 Ų130141.9 Ų141.979%0.78879%0.785SS**  trans116.3139.6158.2-178.20000116
595E29.3Very low30.7Very low167 Ų167140.5 Ų140.578%0.7879%0.786SS**  trans-78173.2-175.2-52.5160.993.400113.8
596L32.5Very low30.6Very low142 Ų142139.3 Ų139.374%0.74378%0.783SS**  -177119.3104.4-93169.7000112.9
597E27.8Very low30.5Very low159 Ų159140.2 Ų140.274%0.74378%0.783SS**  29.1136.8123.4-164.8170-146.200121.4V599E597-V599 HydrophobicContact CG-CG2 4.34Å
598D26.1Very low30Very low162 Ų162141.8 Ų141.887%0.86678%0.777SS**  trans-154.8152.2140.5-143-18.3000112.4
599V30.9Very low29.8Very low92 Ų92138.8 Ų138.856%0.55877%0.767SS**  trans-135.4152.4-169.6-179.50000111.1E597E597-V599 HydrophobicContact CG-CG2 4.34Å
600P38.5Very low30Very low130 Ų130141.7 Ų141.784%0.84477%0.769SS**  trans-134.1150.3141.615.95.8000116.5
601F26.6Very low30.3Very low191 Ų191140 Ų14084%0.83876%0.757SS**  trans-77.9162.7-177.4-106.3-117.7000115.5
602S30.9Very low30Very low108 Ų108139.4 Ų139.476%0.75575%0.75SS**  148.3146.2127.3-178.50000114
603Q33Very low30.3Very low143 Ų143138.7 Ų138.767%0.66874%0.743SS**  cis-174.5160.3-30.9-159.2-173.537.700109.5
604N28.7Very low30.5Very low134 Ų134138.1 Ų138.172%0.71774%0.74SS**  trans78.7146.9160.4-56.7-53.9000119.1
605A30.2Very low30.6Very low97 Ų97137.1 Ų137.180%0.80274%0.739SS**  cis-169.5156-19.700000110
606G25.8Very low30.6Very low70 Ų70137.9 Ų137.972%0.72274%0.742SS**  trans-162.6-15.9-173.700000125.7
607Q32.4Very low30.4Very low183 Ų183135.5 Ų135.586%0.85574%0.743SS**  trans65.6155.3176.8-50.5-170.93.900116.6
608K30.3Very low30.6Very low158 Ų158133.2 Ų133.269%0.68775%0.745SS**  cis-162.6141.6-6.9-129.4-173.1172.4-177.70111.7
609N31.9Very low30.9Very low120 Ų120129.5 Ų129.564%0.64273%0.732SS**  trans58152.2149.5-69.924.3000119.9
610Q31.1Very low30.9Very low167 Ų167132.8 Ų132.878%0.7874%0.741SS**  cis-148.5-1773.2-136.7155-33.700112.7
611S33.1Very low30.5Very low83 Ų83134.9 Ų134.958%0.5874%0.739SS**  trans-68.1178.6-172.346.70000115.7
612E29.3Very low30.5Very low150 Ų150134 Ų13470%0.70174%0.743SS**  cis-162.4148.827.1-137.812816700112.6
613E31.6Very low30.5Very low155 Ų155134.4 Ų134.472%0.72474%0.736SS**  trans47.3149.5147.6-65.8-167.7124.700122.6
614Q32.3Very low30.4Very low159 Ų159134.2 Ų134.274%0.74374%0.735SS**  cis-155.3169.88.5-128.6163.734.800112.6
615S31.3Very low30.4Very low110 Ų110136.1 Ų136.177%0.76974%0.737SS**  trans-62-178.7-180-42.30000115.8
616E29.2Very low30.3Very low182 Ų182137.7 Ų137.785%0.8574%0.737SS**  cis-145.7148.322.1-63.8-178.3131.500109.9
617A28.1Very low30.7Very low92 Ų92143 Ų14376%0.7674%0.744SS**  51.2142.48600000116.2
618S30.9Very low30.6Very low112 Ų112140.3 Ų140.378%0.78375%0.745SS**  cis-165.8-178.2-7.7-113.40000112.8
619S32.4Very low30.6Very low84 Ų84136.8 Ų136.859%0.58775%0.745SS**  trans-30.9-172.1165.261.70000121.1
620E31.7Very low30.5Very low160 Ų160138.9 Ų138.975%0.74875%0.751SS**  cis-150.7148.62.1-115.8112.1-160.300106.3
621Q30Very low30.6Very low174 Ų174139.3 Ų139.381%0.81375%0.75SS**  63.6101.268.9-167.5-179.5-400117.7
622L26.8Very low30.6Very low174 Ų174139.8 Ų139.891%0.91176%0.759SS**  trans-176.7170152.5-145.265.9000111.3
623D30.5Very low30.8Very low116 Ų116138.8 Ų138.862%0.6276%0.763SS**  -153.6159.8-75.5-165.616.3000112
624Q31Very low30.8Very low138 Ų138138.4 Ų138.465%0.64577%0.766SS**  trans43.5135.9152.7-90.5175.685.100126.9
625F29.3Very low30.9Very low174 Ų174136.4 Ų136.476%0.76377%0.77SS**  trans58.9160.7154-74.9-78.2000119.2
626T26.8Very low30.9Very low130 Ų130135.9 Ų135.980%0.79877%0.766SS**  cis-150.4168.121.1-29.50000112.5
627Q35.2Very low31.5Very low183 Ų183132.2 Ų132.286%0.85576%0.76SS**  trans-86.2145.2173.7-65.2176.4-16.100114.3
628S30.2Very low32Very low126 Ų126136.7 Ų136.788%0.88177%0.766SS**  trans175.6163.1153.2-800000110.4
629A30.1Very low32.4Very low84 Ų84140.4 Ų140.469%0.69477%0.771SS**  cis-177135.6-36.600000109.4
630E29.9Very low32.8Very low163 Ų163143.8 Ų143.876%0.76278%0.78SS**  trans66.1152.6160.4-61.3-155.2145.600124
631K32.5Very low33.1Very low177 Ų177145.5 Ų145.577%0.7779%0.788SS**  trans69.3117.1163.6-70.5157.4-180115.20117
632A33.6Very low33.6Very low93 Ų93143.1 Ų143.177%0.76979%0.785SS**  cis92.5150.626.200000116.3
633V34.5Very low33.9Very low129 Ų129143.6 Ų143.678%0.78278%0.783SS**  trans97.8117.2174.1-173.50000117.2
634D29.8Very low34.4Very low146 Ų146143.8 Ų143.878%0.78179%0.788SS**  trans57105151.6-62.5-12.4000125
635S34.3Very low35.1Very low118 Ų118142.5 Ų142.583%0.82579%0.792SS**  87.8154.8102.5-157.80000122.2
636S33.1Very low35.5Very low99 Ų99141 Ų14169%0.69280%0.797SS**  trans79.9116.1160.6-165.30000119.8
637S40.5Very low36.1Very low104 Ų104140.7 Ų140.773%0.72779%0.794SS**  trans41.6137139.2-47.70000120.2
638E38.8Very low36.2Very low187 Ų187137.5 Ų137.587%0.87478%0.783SS**  -164.6169.662.9-167.2147.4105.100112.1
639E39.5Very low37.1Very low190 Ų190143 Ų14389%0.88878%0.784SS**  trans-88130.9-177.2-58.9174.7164.500110.9
640I41.7Very low37.7Very low154 Ų154148.7 Ų148.779%0.7979%0.788SS**  trans-140.1118.9170.2-153.773.1000111.5
641E37.9Very low37.9Very low196 Ų196148.7 Ų148.792%0.91679%0.793SS**  trans-78.3119.2175.9-62.6-178.2126.400109.6
642V39.1Very low38.2Very low124 Ų124149 Ų14975%0.75280%0.802SS**  trans-97.696.4174-178.30000109.2V644V642-V644 PolarHBondContact O-N 3.32Å
643E34.3Very low38.5Very low184 Ų184156 Ų15686%0.8681%0.809SS**  trans-62.6114.9179.6-172178.2-161.700111.5P645E643-P645 WeakPolarHBondContact O-CD 3.36Å
644V41.1Very low38.8Very low120 Ų120161.7 Ų161.773%0.72782%0.816SS**  trans-83.1120.6179.2-1800000110.1V642 V646V642-V644 PolarHBondContact O-N 3.32Å; V644-V646 PolarHBondContact O-N 2.93Å; V644-V646 VanDerWaalsContact O-N 3.1Å
645P44.1Very low39.2Very low112 Ų112164.7 Ų164.773%0.72782%0.822SS**  trans-65.4110.8-173.3-25.436000114.5E643 V647E643-P645 WeakPolarHBondContact O-CD 3.36Å; P645-V647 PolarHBondContact O-N 3.28Å
646V38Very low39.5Very low143 Ų143164.2 Ų164.287%0.86783%0.825SS**  trans-76.4109.5173.6179.10000110.3V644 D648V644-V646 PolarHBondContact O-N 2.93Å; V644-V646 VanDerWaalsContact O-N 3.1Å; V646-D648 PolarHBondContact O-N 3.1Å
647V40.9Very low39.7Very low122 Ų122169.7 Ų169.774%0.73984%0.837SS**  trans-8399.5178.5-178.70000111P645 R649P645-V647 PolarHBondContact O-N 3.28Å; V647-R649 PolarHBondContact O-N 3.33Å
648D35.6Very low39.3Very low116 Ų116168 Ų16862%0.6284%0.836SS**  trans-64122.6171.7-175.41.4000111.1V646 R650V646-D648 PolarHBondContact O-N 3.1Å; D648-R650 PolarHBondContact O-N 3.26Å; D648-R650 VanDerWaalsContact OD1-CB 3.29Å; D648-R650 WeakPolarHBondContact OD1-CB 3.29Å; D648-R650 WeakPolarHBondContact OD1-CG 3.43Å; D648-R650 PolarHBondContact OD1-N 3.31Å
649R49.2Very low39.1Very low242 Ų242168.5 Ų168.591%0.91384%0.838SS**  trans-84.317.2178.4-75.7-176.6162.9175.9-4.4114V647V647-R649 PolarHBondContact O-N 3.33Å
650R43.3Very low39.1Very low203 Ų203169.2 Ų169.277%0.76684%0.838SS**  trans-107.770.3179.9-64.7174.4170.4170.4-0.4114.3D648D648-R650 PolarHBondContact O-N 3.26Å; D648-R650 VanDerWaalsContact OD1-CB 3.29Å; D648-R650 WeakPolarHBondContact OD1-CB 3.29Å; D648-R650 WeakPolarHBondContact OD1-CG 3.43Å; D648-R650 PolarHBondContact OD1-N 3.31Å
651N33.4Very low39Very low163 Ų163165 Ų16587%0.87283%0.833SS**  trans-176.686.3142.7-100.2-47.5000114.6
652L39.4Very low39.3Very low183 Ų183162.3 Ų162.396%0.95883%0.832SS**  trans-153.276.5151.8-15370000113
653R39.6Very low39.2Very low242 Ų242161 Ų16191%0.91383%0.834SS**  trans-140.885.9178.8-154-178.3-162.4-164.17.1112.9
654R41.4Very low39.5Very low247 Ų247162.3 Ų162.393%0.93284%0.837SS**  trans-172.7109.7161.1-105.7165.8-136-151.24.8112.2
655K37.9Very low39.6Very low210 Ų210165.9 Ų165.991%0.91384%0.843SS**  trans146.997.8131.3-81.6-162.6-179.6-176.30114.1
656A40.2Very low39.4Very low107 Ų107170.5 Ų170.588%0.88485%0.851SS**  trans-166.6148.2141.300000108.2
657K37.1Very low39.3Very low215 Ų215167.5 Ų167.594%0.93584%0.842SS**  trans-153.1127178.5-178.2-178.5177.5-177.20110.5
658G32.8Very low39.1Very low69 Ų69171 Ų17171%0.71185%0.847SS**  trans106.5142.8-179.100000111.8
659H34.5Very low39.1Very low196 Ų196171.8 Ų171.891%0.90785%0.851SS**  cis-118.4153-4.4-73.7-52.8000111.5
660K40.2Very low38.7Very low206 Ų206170.3 Ų170.390%0.89687%0.869SS**PPolyproline II helixtrans-92.4128.5160.1-80.6-172173.2-175.90108.4
661G39.1Very low38.5Very low66 Ų66168.7 Ų168.768%0.6887%0.874SS**PPolyproline II helixtrans-64.615416100000111
662P43.9Very low38.8Very low138 Ų138169 Ų16990%0.89687%0.874SS**PPolyproline II helixtrans-73.5140.7-176.630.2-34.8000112
663A38.3Very low38.7Very low96 Ų96168.2 Ų168.279%0.79387%0.869SS**PPolyproline II helixtrans-99.4147.7170.900000110.9
664K40Very low38.7Very low212 Ų212163.9 Ų163.992%0.92287%0.867SS**  trans-129.3133.4162.4-74.5-171.3175.7-178.70109.9
665K43.7Very low38.5Very low196 Ų196158.7 Ų158.785%0.85286%0.863SS**  trans-123.9133.2172-81.6-176.1175.1179.50108.5
666K39.1Very low38.6Very low208 Ų208155.3 Ų155.390%0.90486%0.859SS**  trans62.8160.5155.7-68.3-169.1175.5-170.70116.6
667A35.7Very low38.4Very low81 Ų81158.7 Ų158.767%0.66986%0.857SS**  cis-169.7164.5-26.800000109
668K36.9Very low38.5Very low196 Ų196154.4 Ų154.485%0.85285%0.852SS**  trans65.8163.3166.6-103.1179.1171.1-174.60113.7
669L35.3Very low39Very low132 Ų132161.5 Ų161.569%0.69186%0.863SS**  cis-153.8126.17.4-154.7160.3000110.4
670T41.6Very low39.4Very low211 Ų211158.4 Ų158.4100%1.29486%0.859SS**  trans-165.20142.826.90000107.1

Retrieved 670 of 670 residues in 88.5 ms (Link to these results)

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