A0A5K4FBZ8_SCHMA Loading...

DH domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FBZ8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 437 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
1M73.2Confident87.8Confident113 Ų11377.8 Ų77.856%0.55742%0.424SS*.  0141.50-80.8-155.4-178.100109.7I5 L9 F94 I95 E98M1-I5 HydrophobicContact SD-CG2 4.21Å; M1-L9 HydrophobicContact SD-CD1 4.04Å; M1-F94 HydrophobicContact CE-CD1 3.39Å; M1-F94 HydrophobicContact CE-CE1 3.21Å; M1-F94 HydrophobicContact CE-CZ 4.22Å; M1-F94 HydrophobicContact CG-CE1 4.47Å; M1-I95 HydrophobicContact CE-CB 4.37Å; M1-I95 HydrophobicContact CE-CG1 3.67Å; M1-I95 HydrophobicContact SD-CG1 4.33Å; M1-E98 HydrophobicContact CE-CB 4.25Å; M1-E98 HydrophobicContact CE-CG 4.35Å
2P81.8Confident87.8Confident75 Ų7571.3 Ų71.349%0.48739%0.389SS..  trans-59.7145173.8-21.632.2000113.1S4 I5 K6P2-S4 VanDerWaalsContact C-N 3.29Å; P2-S4 PolarHBondContact O-N 3.34Å; P2-I5 HydrophobicContact CB-CD1 4.46Å; P2-I5 HydrophobicContact CB-CG1 4.36Å; P2-I5 HydrophobicContact CG-CD1 4Å; P2-I5 HydrophobicContact CG-CG1 4.43Å; P2-I5 PolarHBondContact O-N 3.37Å; P2-K6 PolarHBondContact O-N 2.96Å
3S85.6Confident87.7Confident105 Ų10566.5 Ų66.573%0.73437%0.365SS*.Hα-helixtrans-60.8-34.7-179.4-54.50000113.3I5 K6 L7S3-I5 PolarHBondContact O-N 3.26Å; S3-K6 PolarHBondContact O-N 2.59Å; S3-L7 PolarHBondContact O-N 3.3Å
4S88.6Confident87.8Confident89 Ų8969.9 Ų69.962%0.62238%0.376SS*.Hα-helixtrans-63.4-40.4177.353.60000112.7P2 L7 L8P2-S4 VanDerWaalsContact C-N 3.29Å; P2-S4 PolarHBondContact O-N 3.34Å; S4-L7 PolarHBondContact O-N 3.38Å; S4-L8 PolarHBondContact O-N 2.92Å
5I88.6Confident88Confident38 Ų3865.9 Ų65.920%0.19535%0.354CS..Hα-helixtrans-68-41.3176.6-63.1-177.4000109.8M1 P2 S3 L7 L8 L9 I95M1-I5 HydrophobicContact SD-CG2 4.21Å; P2-I5 HydrophobicContact CB-CD1 4.46Å; P2-I5 HydrophobicContact CB-CG1 4.36Å; P2-I5 HydrophobicContact CG-CD1 4Å; P2-I5 HydrophobicContact CG-CG1 4.43Å; P2-I5 PolarHBondContact O-N 3.37Å; S3-I5 PolarHBondContact O-N 3.26Å; I5-L7 VanDerWaalsContact C-N 3.33Å; I5-L7 PolarHBondContact O-N 2.99Å; I5-L8 PolarHBondContact O-N 3.06Å; I5-L8 VanDerWaalsContact O-N 3.16Å; I5-L9 HydrophobicContact CG2-CD1 4.22Å; I5-L9 HydrophobicContact CG2-CG 4.33Å; I5-L9 VanDerWaalsContact O-CG 3.32Å; I5-L9 WeakPolarHBondContact O-CG 3.37Å; I5-L9 PolarHBondContact O-N 2.8Å; I5-I95 HydrophobicContact CD1-CD1 3.9Å; I5-I95 HydrophobicContact CG2-CD1 4.21Å; I5-I95 HydrophobicContact CG2-CG1 4.24Å; I5-I95 HydrophobicContact CG2-CG2 3.98Å
6K91Very high87.6Confident116 Ų11662.5 Ų62.550%0.50434%0.335SS..Hα-helixtrans-57.6-45.6176.6-172178.2177.8-178.70111.7P2 S3 L8 L9 D10P2-K6 PolarHBondContact O-N 2.96Å; S3-K6 PolarHBondContact O-N 2.59Å; K6-L8 VanDerWaalsContact C-N 3.33Å; K6-L8 PolarHBondContact O-N 3.28Å; K6-L9 WeakPolarHBondContact O-CB 3.35Å; K6-L9 PolarHBondContact O-N 2.8Å; K6-D10 PolarHBondContact O-N 3.17Å
7L92.1Very high87.4Confident126 Ų12663.2 Ų63.266%0.6634%0.336SS*.Hα-helixtrans-59.9-41.6176.5-178.264.3000112.3S3 S4 I5 D10 Y11S3-L7 PolarHBondContact O-N 3.3Å; S4-L7 PolarHBondContact O-N 3.38Å; I5-L7 VanDerWaalsContact C-N 3.33Å; I5-L7 PolarHBondContact O-N 2.99Å; L7-D10 PolarHBondContact O-N 3.17Å; L7-Y11 WeakPolarHBondContact O-CB 3.42Å; L7-Y11 PolarHBondContact O-N 2.75Å
8L90.6Very high87.5Confident49 Ų4962.2 Ų62.226%0.25734%0.338SS..Hα-helixtrans-65.3-38.5177.4179.661.2000112.4S4 I5 K6 S12 P57 L61S4-L8 PolarHBondContact O-N 2.92Å; I5-L8 PolarHBondContact O-N 3.06Å; I5-L8 VanDerWaalsContact O-N 3.16Å; K6-L8 VanDerWaalsContact C-N 3.33Å; K6-L8 PolarHBondContact O-N 3.28Å; L8-S12 WeakPolarHBondContact O-CB 3.42Å; L8-S12 PolarHBondContact O-N 2.98Å; L8-S12 PolarHBondContact O-OG 2.96Å; L8-P57 HydrophobicContact CD1-CB 3.47Å; L8-P57 VanDerWaalsContact CD1-CB 3.47Å; L8-L61 HydrophobicContact CD2-CB 4.41Å; L8-L61 HydrophobicContact CD2-CD1 4.21Å; L8-L61 HydrophobicContact CD2-CD2 3.87Å; L8-L61 HydrophobicContact CD2-CG 4.39Å; L8-L61 HydrophobicContact CG-CD2 4.18Å
9L90.9Very high87.6Confident0 Ų060.6 Ų60.60%033%0.327CS..Hα-helixtrans-64.9-44.7175.2-67176000111.3M1 I5 K6 S12 A13 L61 I95 E98 L99M1-L9 HydrophobicContact SD-CD1 4.04Å; I5-L9 HydrophobicContact CG2-CD1 4.22Å; I5-L9 HydrophobicContact CG2-CG 4.33Å; I5-L9 VanDerWaalsContact O-CG 3.32Å; I5-L9 WeakPolarHBondContact O-CG 3.37Å; I5-L9 PolarHBondContact O-N 2.8Å; K6-L9 WeakPolarHBondContact O-CB 3.35Å; K6-L9 PolarHBondContact O-N 2.8Å; L9-S12 PolarHBondContact O-N 3.49Å; L9-A13 PolarHBondContact O-N 3.43Å; L9-L61 HydrophobicContact CD2-CD2 4.14Å; L9-I95 HydrophobicContact CD2-CG2 4.05Å; L9-E98 HydrophobicContact CD1-CG 3.93Å; L9-L99 HydrophobicContact CD2-CB 3.53Å; L9-L99 HydrophobicContact CD2-CD1 4.03Å; L9-L99 HydrophobicContact CD2-CG 4.31Å
10D90.8Very high87.4Confident56 Ų5658.5 Ų58.530%0.29931%0.314SS..Hα-helixtrans-65-45.6178.4-66.7-26.7000111K6 L7 S12 A13 H14 R102K6-D10 PolarHBondContact O-N 3.17Å; L7-D10 PolarHBondContact O-N 3.17Å; D10-S12 VanDerWaalsContact C-N 3.3Å; D10-S12 PolarHBondContact O-N 3.24Å; D10-A13 PolarHBondContact O-N 3.18Å; D10-H14 PolarHBondContact O-N 3.08Å; D10-H14 PolarHBondContact O-ND1 3.22Å; D10-R102 IonicContact OD1-CZ 2.89Å; D10-R102 IonicContact OD1-NH1 2.61Å; D10-R102 PolarHBondContact OD1-NH1 2.75Å; D10-R102 IonicContact OD2-NH1 3.19Å
11Y92.3Very high87.3Confident89 Ų8960.1 Ų60.135%0.34932%0.316SS..Hα-helixtrans-53.7-48.4172.1173.6-100000111.5L7 A13 H14 L15 L54 P57L7-Y11 WeakPolarHBondContact O-CB 3.42Å; L7-Y11 PolarHBondContact O-N 2.75Å; Y11-A13 VanDerWaalsContact C-N 3.29Å; Y11-A13 PolarHBondContact O-N 2.81Å; Y11-H14 PolarHBondContact O-N 3.46Å; Y11-L15 HydrophobicContact CD1-CD1 4.34Å; Y11-L15 HydrophobicContact CD1-CG 4.35Å; Y11-L15 HydrophobicContact CE1-CD1 3.93Å; Y11-L15 HydrophobicContact CE1-CD2 3.87Å; Y11-L15 HydrophobicContact CE1-CG 4Å; Y11-L15 HydrophobicContact CE2-CD2 4.36Å; Y11-L15 PolarHBondContact O-N 3.29Å; Y11-L15 VanDerWaalsContact O-N 3.12Å; Y11-L54 WeakPolarHBondContact CE1-O 3.38Å; Y11-L54 WeakPolarHBondContact OH-CA 3.44Å; Y11-L54 PolarHBondContact OH-O 3.23Å; Y11-P57 HydrophobicContact CE1-CB 4.36Å; Y11-P57 HydrophobicContact CE1-CG 4.05Å
12S88.6Confident88Confident0 Ų055.5 Ų55.50%029%0.293CS..Hα-helixtrans-67.9-26.8-176.7-58.10000113.5L8 L9 D10L8-S12 WeakPolarHBondContact O-CB 3.42Å; L8-S12 PolarHBondContact O-N 2.98Å; L8-S12 PolarHBondContact O-OG 2.96Å; L9-S12 PolarHBondContact O-N 3.49Å; D10-S12 VanDerWaalsContact C-N 3.3Å; D10-S12 PolarHBondContact O-N 3.24Å
13A86.5Confident88.2Confident9 Ų953.3 Ų53.37%0.07428%0.277CS..Hα-helixtrans-71.1-44173.600000111.5L9 D10 Y11 L15 Y16 R102 A106L9-A13 PolarHBondContact O-N 3.43Å; D10-A13 PolarHBondContact O-N 3.18Å; Y11-A13 VanDerWaalsContact C-N 3.29Å; Y11-A13 PolarHBondContact O-N 2.81Å; A13-L15 VanDerWaalsContact C-N 3.26Å; A13-L15 PolarHBondContact O-N 2.68Å; A13-Y16 PolarHBondContact O-N 3.48Å; A13-R102 HydrophobicContact CB-CB 4.07Å; A13-A106 HydrophobicContact CB-CB 4.33Å
14H89.1Confident88.1Confident114 Ų11448.8 Ų48.853%0.52825%0.246SC..Hα-helixtrans-71.2-18178.3-64.1100.4000113.7D10 Y11 Y16 E17 A18D10-H14 PolarHBondContact O-N 3.08Å; D10-H14 PolarHBondContact O-ND1 3.22Å; Y11-H14 PolarHBondContact O-N 3.46Å; H14-Y16 PolarHBondContact O-N 3.02Å; H14-Y16 VanDerWaalsContact O-N 3.08Å; H14-E17 PolarHBondContact O-N 2.96Å; H14-A18 WeakPolarHBondContact O-CB 3.41Å; H14-A18 PolarHBondContact O-N 3.18Å
15L90.3Very high88Confident9 Ų946.7 Ų46.75%0.04723%0.227CC..Hα-helixtrans-53.6-30.5174.9-77.9179.3000112.6Y11 A13 R19 W51 L54 K58Y11-L15 HydrophobicContact CD1-CD1 4.34Å; Y11-L15 HydrophobicContact CD1-CG 4.35Å; Y11-L15 HydrophobicContact CE1-CD1 3.93Å; Y11-L15 HydrophobicContact CE1-CD2 3.87Å; Y11-L15 HydrophobicContact CE1-CG 4Å; Y11-L15 HydrophobicContact CE2-CD2 4.36Å; Y11-L15 PolarHBondContact O-N 3.29Å; Y11-L15 VanDerWaalsContact O-N 3.12Å; A13-L15 VanDerWaalsContact C-N 3.26Å; A13-L15 PolarHBondContact O-N 2.68Å; L15-R19 WeakPolarHBondContact O-CB 3.49Å; L15-R19 PolarHBondContact O-N 3.44Å; L15-W51 HydrophobicContact CB-CZ2 4.42Å; L15-W51 HydrophobicContact CD2-CH2 4.21Å; L15-W51 HydrophobicContact CD2-CZ2 4.35Å; L15-W51 WeakPolarHBondContact O-CH2 3.46Å; L15-L54 HydrophobicContact CD2-CB 4.15Å; L15-K58 HydrophobicContact CD1-CB 3.98Å; L15-K58 HydrophobicContact CD1-CD 4.24Å
16Y82.5Confident87.8Confident12 Ų1247.8 Ų47.85%0.04723%0.229CC..Hα-helixtrans-73.4-42.6-177.3-72.4-100.9000112.7A13 H14 R19 K20 K58 V103 M107 W221A13-Y16 PolarHBondContact O-N 3.48Å; H14-Y16 PolarHBondContact O-N 3.02Å; H14-Y16 VanDerWaalsContact O-N 3.08Å; Y16-R19 WeakPolarHBondContact O-CB 3.27Å; Y16-R19 PolarHBondContact O-N 3.46Å; Y16-K20 PolarHBondContact O-N 3.06Å; Y16-K58 WeakPolarHBondContact OH-CE 3.42Å; Y16-K58 PolarHBondContact OH-NZ 2.71Å; Y16-V103 HydrophobicContact CD1-CG1 4.42Å; Y16-V103 HydrophobicContact CD2-CB 4.49Å; Y16-V103 HydrophobicContact CD2-CG1 3.94Å; Y16-V103 HydrophobicContact CD2-CG2 4.09Å; Y16-V103 HydrophobicContact CE1-CG1 3.76Å; Y16-V103 HydrophobicContact CE2-CB 3.98Å; Y16-V103 HydrophobicContact CE2-CG1 3.32Å; Y16-V103 HydrophobicContact CE2-CG2 3.48Å; Y16-V103 VanDerWaalsContact CE2-CG2 3.48Å; Y16-V103 HydrophobicContact CG-CG1 4.47Å; Y16-V103 WeakPolarHBondContact OH-CG1 3.14Å; Y16-M107 HydrophobicContact CD1-CG 3.58Å; Y16-M107 HydrophobicContact CD1-SD 3.4Å; Y16-M107 WeakPolarHBondContact CD1-SD 3.26Å; Y16-M107 HydrophobicContact CE1-CE 4.29Å; Y16-M107 HydrophobicContact CE1-CG 4.18Å; Y16-M107 HydrophobicContact CE1-SD 3.5Å; Y16-M107 WeakPolarHBondContact CE1-SD 3.27Å; Y16-M107 HydrophobicContact CG-CG 3.92Å; Y16-M107 HydrophobicContact CG-SD 4.3Å; Y16-W221 AromaticContact CD1-CD2 3.94Å; Y16-W221 HydrophobicContact CD1-CD2 3.94Å; Y16-W221 AromaticContact CD1-CE2 3.75Å; Y16-W221 HydrophobicContact CD1-CE3 4.16Å; Y16-W221 AromaticContact CD1-CH2 3.93Å; Y16-W221 HydrophobicContact CD1-CH2 3.93Å; Y16-W221 AromaticContact CD1-CZ2 3.72Å; Y16-W221 HydrophobicContact CD1-CZ2 3.72Å; Y16-W221 HydrophobicContact CD1-CZ3 4.17Å; Y16-W221 AromaticContact CE1-CD2 3.4Å; Y16-W221 HydrophobicContact CE1-CD2 3.4Å; Y16-W221 AromaticContact CE1-CE2 3.57Å; Y16-W221 AromaticContact CE1-CE3 3.17Å; Y16-W221 HydrophobicContact CE1-CE3 3.17Å; Y16-W221 HydrophobicContact CE1-CG 4.27Å; Y16-W221 AromaticContact CE1-CH2 3.25Å; Y16-W221 HydrophobicContact CE1-CH2 3.25Å; Y16-W221 AromaticContact CE1-CZ2 3.49Å; Y16-W221 HydrophobicContact CE1-CZ2 3.49Å; Y16-W221 VanDerWaalsContact CE1-CZ2 3.49Å; Y16-W221 AromaticContact CE1-CZ3 3.12Å; Y16-W221 HydrophobicContact CE1-CZ3 3.12Å; Y16-W221 HydrophobicContact CE2-CH2 4.29Å; Y16-W221 HydrophobicContact CE2-CZ3 4.44Å; Y16-W221 AromaticContact CZ-CE3 3.76Å; Y16-W221 AromaticContact CZ-CH2 3.42Å; Y16-W221 VanDerWaalsContact CZ-CH2 3.42Å; Y16-W221 AromaticContact CZ-CZ3 3.25Å; Y16-W221 WeakPolarHBondContact OH-CH2 3.22Å; Y16-W221 WeakPolarHBondContact OH-CZ3 3.28Å
17E83.8Confident87.4Confident75 Ų7549.5 Ų49.535%0.3524%0.238SC..Hα-helixtrans-65.1-48.3172.9178.5174.5-170.600110.1H14 R19 K20 Y21 L110H14-E17 PolarHBondContact O-N 2.96Å; E17-R19 PolarHBondContact O-N 2.98Å; E17-K20 WeakPolarHBondContact O-CB 3.38Å; E17-K20 PolarHBondContact O-N 3.33Å; E17-Y21 HydrophobicContact CG-CD2 3.84Å; E17-Y21 HydrophobicContact CG-CE2 3.44Å; E17-Y21 VanDerWaalsContact CG-CE2 3.44Å; E17-Y21 WeakPolarHBondContact O-CD2 3.36Å; E17-Y21 PolarHBondContact O-N 2.84Å; E17-Y21 VanDerWaalsContact O-N 3.11Å; E17-L110 HydrophobicContact CB-CD1 4.46Å; E17-L110 HydrophobicContact CB-CD2 4.47Å; E17-L110 HydrophobicContact CG-CD1 4.15Å
18A89.4Confident87.1Confident45 Ų4547.2 Ų47.237%0.37222%0.224SC..Hα-helixtrans-57.8-37.2176.100000112.5H14 K20 Y21 F22 W51H14-A18 WeakPolarHBondContact O-CB 3.41Å; H14-A18 PolarHBondContact O-N 3.18Å; A18-K20 VanDerWaalsContact C-N 3.35Å; A18-Y21 PolarHBondContact O-N 3.13Å; A18-F22 VanDerWaalsContact O-CB 3.23Å; A18-F22 WeakPolarHBondContact O-CB 3.49Å; A18-F22 PolarHBondContact O-N 2.89Å; A18-W51 HydrophobicContact CB-CH2 4.32Å
19R88.5Confident87Confident32 Ų3248.7 Ų48.712%0.12123%0.229CC..Hα-helixtrans-60.4-46.2175.9-17574.4-166.6176.513.2111L15 Y16 E17 F22 E23 W51 H219L15-R19 WeakPolarHBondContact O-CB 3.49Å; L15-R19 PolarHBondContact O-N 3.44Å; Y16-R19 WeakPolarHBondContact O-CB 3.27Å; Y16-R19 PolarHBondContact O-N 3.46Å; E17-R19 PolarHBondContact O-N 2.98Å; R19-F22 WeakPolarHBondContact O-CB 3.48Å; R19-F22 PolarHBondContact O-N 3.34Å; R19-E23 WeakPolarHBondContact CG-OE1 3.34Å; R19-E23 IonicContact CZ-OE1 2.79Å; R19-E23 IonicContact NE-OE1 3.29Å; R19-E23 PolarHBondContact NE-OE1 3.4Å; R19-E23 IonicContact NH2-OE1 3.77Å; R19-E23 PolarHBondContact NH2-OE1 3.09Å; R19-E23 WeakPolarHBondContact O-CG 3.49Å; R19-E23 PolarHBondContact O-N 3.5Å; R19-W51 HydrophobicContact CB-CH2 3.42Å; R19-W51 VanDerWaalsContact CB-CH2 3.42Å; R19-W51 HydrophobicContact CB-CZ2 3.55Å; R19-W51 HydrophobicContact CB-CZ3 4.1Å; R19-W51 VanDerWaalsContact CD-CD2 3.48Å; R19-W51 HydrophobicContact CG-CH2 4.16Å; R19-W51 HydrophobicContact CG-CZ2 3.94Å; R19-W51 VanDerWaalsContact N-CH2 3.33Å; R19-H219 PolarHBondContact NH2-CE1 2.82Å
20K83Confident86.9Confident17 Ų1753.6 Ų53.67%0.07426%0.26CS..Hα-helixtrans-62-46.4-179.8-168.7-178.4-177.2-1720111.4Y16 E17 A18 F22 E23 A24 L110 C114 L291Y16-K20 PolarHBondContact O-N 3.06Å; E17-K20 WeakPolarHBondContact O-CB 3.38Å; E17-K20 PolarHBondContact O-N 3.33Å; A18-K20 VanDerWaalsContact C-N 3.35Å; K20-F22 VanDerWaalsContact C-N 3.35Å; K20-E23 PolarHBondContact O-N 3.11Å; K20-A24 WeakPolarHBondContact O-CB 3.3Å; K20-A24 PolarHBondContact O-N 3.18Å; K20-L110 HydrophobicContact CB-CD2 4.34Å; K20-L110 HydrophobicContact CD-CD1 4.14Å; K20-L110 HydrophobicContact CD-CD2 4.08Å; K20-L110 HydrophobicContact CD-CG 4.26Å; K20-C114 PolarHBondContact NZ-SG 2.63Å; K20-L291 HydrophobicContact CD-CD2 3.89Å; K20-L291 HydrophobicContact CG-CD2 4Å
21Y86Confident86.9Confident93 Ų9354.4 Ų54.437%0.36528%0.275SS..Hα-helixtrans-64.4-40175.5-72.5-70.4000112.2E17 A18 E23 A24 L25 L291E17-Y21 HydrophobicContact CG-CD2 3.84Å; E17-Y21 HydrophobicContact CG-CE2 3.44Å; E17-Y21 VanDerWaalsContact CG-CE2 3.44Å; E17-Y21 WeakPolarHBondContact O-CD2 3.36Å; E17-Y21 PolarHBondContact O-N 2.84Å; E17-Y21 VanDerWaalsContact O-N 3.11Å; A18-Y21 PolarHBondContact O-N 3.13Å; Y21-E23 VanDerWaalsContact C-N 3.32Å; Y21-E23 PolarHBondContact O-N 2.8Å; Y21-A24 PolarHBondContact O-N 3.32Å; Y21-L25 VanDerWaalsContact O-CB 3.27Å; Y21-L25 WeakPolarHBondContact O-CB 3.34Å; Y21-L25 PolarHBondContact O-N 2.94Å; Y21-L291 HydrophobicContact CD1-CD2 4.16Å; Y21-L291 HydrophobicContact CE1-CD1 4.1Å; Y21-L291 HydrophobicContact CE1-CD2 4.05Å; Y21-L291 HydrophobicContact CE1-CG 4.38Å
22F88.1Confident86.8Confident17 Ų1752.1 Ų52.18%0.07527%0.267CS..Hα-helixtrans-59.9-42.1176.6174.9-99.3000112A18 R19 K20 R26 F32 L36 L50 W51A18-F22 VanDerWaalsContact O-CB 3.23Å; A18-F22 WeakPolarHBondContact O-CB 3.49Å; A18-F22 PolarHBondContact O-N 2.89Å; R19-F22 WeakPolarHBondContact O-CB 3.48Å; R19-F22 PolarHBondContact O-N 3.34Å; K20-F22 VanDerWaalsContact C-N 3.35Å; F22-R26 HydrophobicContact CE1-CG 4.45Å; F22-R26 HydrophobicContact CZ-CG 4.46Å; F22-R26 WeakPolarHBondContact O-CG 3.25Å; F22-R26 PolarHBondContact O-N 3.18Å; F22-R26 VanDerWaalsContact O-N 3.1Å; F22-F32 AromaticContact CD2-CE1 3.9Å; F22-F32 HydrophobicContact CD2-CE1 3.9Å; F22-F32 AromaticContact CD2-CZ 3.9Å; F22-F32 HydrophobicContact CD2-CZ 3.9Å; F22-F32 AromaticContact CE2-CE1 3.76Å; F22-F32 HydrophobicContact CE2-CE1 3.76Å; F22-F32 AromaticContact CE2-CZ 3.7Å; F22-F32 HydrophobicContact CE2-CZ 3.7Å; F22-L36 HydrophobicContact CE2-CD1 3.8Å; F22-L36 HydrophobicContact CE2-CD2 4.27Å; F22-L36 HydrophobicContact CZ-CD1 3.7Å; F22-L50 HydrophobicContact CE2-CD2 4.24Å; F22-W51 HydrophobicContact CB-CE3 4.39Å; F22-W51 HydrophobicContact CB-CZ3 4.22Å; F22-W51 HydrophobicContact CD1-CE3 4.06Å; F22-W51 HydrophobicContact CE1-CB 4.46Å; F22-W51 HydrophobicContact CE1-CE3 4.5Å; F22-W51 HydrophobicContact CG-CE3 4.13Å; F22-W51 HydrophobicContact CG-CZ3 4.44Å
23E85.6Confident86.8Confident29 Ų2955.6 Ų55.614%0.13629%0.285CS..Hα-helixtrans-67.9-49.5177.2-76.5159-17400112.2R19 K20 Y21 L25 R26 E27 H219R19-E23 WeakPolarHBondContact CG-OE1 3.34Å; R19-E23 IonicContact CZ-OE1 2.79Å; R19-E23 IonicContact NE-OE1 3.29Å; R19-E23 PolarHBondContact NE-OE1 3.4Å; R19-E23 IonicContact NH2-OE1 3.77Å; R19-E23 PolarHBondContact NH2-OE1 3.09Å; R19-E23 WeakPolarHBondContact O-CG 3.49Å; R19-E23 PolarHBondContact O-N 3.5Å; K20-E23 PolarHBondContact O-N 3.11Å; Y21-E23 VanDerWaalsContact C-N 3.32Å; Y21-E23 PolarHBondContact O-N 2.8Å; E23-L25 PolarHBondContact O-N 3.42Å; E23-R26 WeakPolarHBondContact O-CA 3.41Å; E23-R26 WeakPolarHBondContact O-CB 3.48Å; E23-R26 PolarHBondContact O-N 3.41Å; E23-E27 PolarHBondContact O-N 3.28Å; E23-H219 IonicContact OE1-CD2 3.53Å; E23-H219 PolarHBondContact OE1-CD2 3.28Å; E23-H219 IonicContact OE1-CE1 3.18Å; E23-H219 PolarHBondContact OE1-CE1 3.08Å; E23-H219 IonicContact OE1-CG 3.44Å; E23-H219 IonicContact OE1-ND1 3.33Å; E23-H219 PolarHBondContact OE1-ND1 3.02Å; E23-H219 IonicContact OE1-NE2 2.87Å; E23-H219 PolarHBondContact OE1-NE2 2.91Å; E23-H219 IonicContact OE2-CD2 2.87Å; E23-H219 PolarHBondContact OE2-CD2 3.2Å; E23-H219 IonicContact OE2-CE1 3.65Å; E23-H219 IonicContact OE2-CG 2.74Å; E23-H219 IonicContact OE2-NE2 3.01Å; E23-H219 PolarHBondContact OE2-NE2 3.09Å
24A83.9Confident87Confident10 Ų1059 Ų598%0.08330%0.302CS..Hα-helixtrans-61.1-34.5178.300000111.8K20 Y21 E27 Q28 V289K20-A24 WeakPolarHBondContact O-CB 3.3Å; K20-A24 PolarHBondContact O-N 3.18Å; Y21-A24 PolarHBondContact O-N 3.32Å; A24-E27 PolarHBondContact O-N 2.79Å; A24-Q28 WeakPolarHBondContact O-CB 3.44Å; A24-Q28 VanDerWaalsContact O-CG 3.25Å; A24-Q28 WeakPolarHBondContact O-CG 3.33Å; A24-Q28 PolarHBondContact O-N 2.88Å; A24-V289 HydrophobicContact CB-CG1 3.21Å
25L85.8Confident87Confident45 Ų4558.5 Ų58.524%0.23630%0.298CS..Hα-helixtrans-66-37.9172.8-171.365000112.6Y21 E23 K29 F32Y21-L25 VanDerWaalsContact O-CB 3.27Å; Y21-L25 WeakPolarHBondContact O-CB 3.34Å; Y21-L25 PolarHBondContact O-N 2.94Å; E23-L25 PolarHBondContact O-N 3.42Å; L25-K29 HydrophobicContact CD1-CB 4.43Å; L25-K29 HydrophobicContact CD1-CD 3.64Å; L25-K29 HydrophobicContact CD1-CG 3.97Å; L25-K29 WeakPolarHBondContact O-CB 3.33Å; L25-K29 PolarHBondContact O-N 3.19Å; L25-F32 HydrophobicContact CB-CD1 4.26Å; L25-F32 HydrophobicContact CB-CE1 4.32Å; L25-F32 HydrophobicContact CD2-CD1 3.82Å; L25-F32 HydrophobicContact CD2-CD2 4.16Å; L25-F32 HydrophobicContact CD2-CE1 3.72Å; L25-F32 HydrophobicContact CD2-CE2 4.08Å; L25-F32 HydrophobicContact CD2-CG 4.04Å; L25-F32 HydrophobicContact CD2-CZ 3.86Å; L25-F32 HydrophobicContact CG-CD1 3.73Å; L25-F32 HydrophobicContact CG-CE1 4.03Å; L25-F32 HydrophobicContact CG-CG 4.09Å
26R84.9Confident86.9Confident61 Ų6158.8 Ų58.823%0.2330%0.3CS..Hα-helixtrans-65.5-41.7175.1-75-179.564.7177.90.5111.6F22 E23 F32 I33 L36F22-R26 HydrophobicContact CE1-CG 4.45Å; F22-R26 HydrophobicContact CZ-CG 4.46Å; F22-R26 WeakPolarHBondContact O-CG 3.25Å; F22-R26 PolarHBondContact O-N 3.18Å; F22-R26 VanDerWaalsContact O-N 3.1Å; E23-R26 WeakPolarHBondContact O-CA 3.41Å; E23-R26 WeakPolarHBondContact O-CB 3.48Å; E23-R26 PolarHBondContact O-N 3.41Å; R26-F32 HydrophobicContact CG-CD1 3.77Å; R26-F32 HydrophobicContact CG-CE1 3.77Å; R26-I33 HydrophobicContact CB-CD1 4.36Å; R26-I33 HydrophobicContact CB-CG1 4.11Å; R26-I33 HydrophobicContact CG-CG1 4.3Å; R26-I33 WeakPolarHBondContact O-CD1 3.41Å; R26-L36 HydrophobicContact CG-CD1 4.09Å
27E83.1Confident87.2Confident151 Ų15160.6 Ų60.671%0.70632%0.315SS*.Hα-helixtrans-66.9-39.1178.9-68.3-176.1164.200112.1E23 A24E23-E27 PolarHBondContact O-N 3.28Å; A24-E27 PolarHBondContact O-N 2.79Å
28Q85.2Confident87.3Confident78 Ų7864.1 Ų64.136%0.36432%0.324SS..Hα-helixtrans-84.2-32.6-175.6-67.6171.228.100113.5A24 P30 S290A24-Q28 WeakPolarHBondContact O-CB 3.44Å; A24-Q28 VanDerWaalsContact O-CG 3.25Å; A24-Q28 WeakPolarHBondContact O-CG 3.33Å; A24-Q28 PolarHBondContact O-N 2.88Å; Q28-P30 WeakPolarHBondContact O-CD 3.49Å; Q28-S290 VanDerWaalsContact NE2-N 3.16Å; Q28-S290 PolarHBondContact NE2-O 2.95Å; Q28-S290 PolarHBondContact NE2-OG 2.9Å; Q28-S290 VanDerWaalsContact NE2-OG 3.14Å
29K88.7Confident87.2Confident81 Ų8164.3 Ų64.335%0.35232%0.323SS..  trans-117.494.9-173.6-61.5-163.3-175.2-176.60111.9L25 A31 F32 I33 E287L25-K29 HydrophobicContact CD1-CB 4.43Å; L25-K29 HydrophobicContact CD1-CD 3.64Å; L25-K29 HydrophobicContact CD1-CG 3.97Å; L25-K29 WeakPolarHBondContact O-CB 3.33Å; L25-K29 PolarHBondContact O-N 3.19Å; K29-A31 PolarHBondContact O-N 3.35Å; K29-F32 HydrophobicContact CB-CB 3.88Å; K29-F32 VanDerWaalsContact O-CB 3.28Å; K29-F32 WeakPolarHBondContact O-CB 3.32Å; K29-F32 PolarHBondContact O-N 3.24Å; K29-I33 PolarHBondContact O-N 2.85Å; K29-E287 WeakPolarHBondContact CE-OE2 3.44Å; K29-E287 IonicContact NZ-OE2 2.74Å; K29-E287 PolarHBondContact NZ-OE2 3.02Å
30P88.8Confident87Confident102 Ų10264.2 Ų64.266%0.66233%0.327SS*.Hα-helixtrans-60.9-31.4175.723.3-33.2000112.9Q28 F32 I33 D34Q28-P30 WeakPolarHBondContact O-CD 3.49Å; P30-F32 PolarHBondContact O-N 2.68Å; P30-I33 WeakPolarHBondContact O-CB 3.47Å; P30-I33 PolarHBondContact O-N 3.1Å; P30-I33 VanDerWaalsContact O-N 3.11Å; P30-D34 PolarHBondContact O-N 3.23Å
31A91.6Very high87Confident74 Ų7470 Ų7061%0.61235%0.354SS*.Hα-helixtrans-61.8-30.4173.400000113K29 F35K29-A31 PolarHBondContact O-N 3.35Å; A31-F35 WeakPolarHBondContact O-CB 3.48Å; A31-F35 PolarHBondContact O-N 2.89Å
32F89.8Confident87Confident40 Ų4069.2 Ų69.218%0.17536%0.359CS..Hα-helixtrans-69.8-39.4174.1-179.3-120.2000111.2F22 L25 R26 K29 P30 F35 L36F22-F32 AromaticContact CD2-CE1 3.9Å; F22-F32 HydrophobicContact CD2-CE1 3.9Å; F22-F32 AromaticContact CD2-CZ 3.9Å; F22-F32 HydrophobicContact CD2-CZ 3.9Å; F22-F32 AromaticContact CE2-CE1 3.76Å; F22-F32 HydrophobicContact CE2-CE1 3.76Å; F22-F32 AromaticContact CE2-CZ 3.7Å; F22-F32 HydrophobicContact CE2-CZ 3.7Å; L25-F32 HydrophobicContact CB-CD1 4.26Å; L25-F32 HydrophobicContact CB-CE1 4.32Å; L25-F32 HydrophobicContact CD2-CD1 3.82Å; L25-F32 HydrophobicContact CD2-CD2 4.16Å; L25-F32 HydrophobicContact CD2-CE1 3.72Å; L25-F32 HydrophobicContact CD2-CE2 4.08Å; L25-F32 HydrophobicContact CD2-CG 4.04Å; L25-F32 HydrophobicContact CD2-CZ 3.86Å; L25-F32 HydrophobicContact CG-CD1 3.73Å; L25-F32 HydrophobicContact CG-CE1 4.03Å; L25-F32 HydrophobicContact CG-CG 4.09Å; R26-F32 HydrophobicContact CG-CD1 3.77Å; R26-F32 HydrophobicContact CG-CE1 3.77Å; K29-F32 HydrophobicContact CB-CB 3.88Å; K29-F32 VanDerWaalsContact O-CB 3.28Å; K29-F32 WeakPolarHBondContact O-CB 3.32Å; K29-F32 PolarHBondContact O-N 3.24Å; P30-F32 PolarHBondContact O-N 2.68Å; F32-F35 HydrophobicContact CD2-CD1 4.41Å; F32-F35 HydrophobicContact CE2-CD1 4.48Å; F32-F35 PolarHBondContact O-N 3.12Å; F32-L36 HydrophobicContact CD1-CD1 3.99Å; F32-L36 HydrophobicContact CD2-CG 4.44Å; F32-L36 HydrophobicContact CE1-CD1 3.59Å; F32-L36 HydrophobicContact CE1-CG 4.21Å; F32-L36 HydrophobicContact CE2-CD1 4.4Å; F32-L36 HydrophobicContact CE2-CD2 4.13Å; F32-L36 HydrophobicContact CE2-CG 4.13Å; F32-L36 HydrophobicContact CZ-CD1 3.82Å; F32-L36 HydrophobicContact CZ-CD2 3.99Å; F32-L36 HydrophobicContact CZ-CG 4.01Å; F32-L36 VanDerWaalsContact O-CG 3.31Å; F32-L36 WeakPolarHBondContact O-CG 3.04Å; F32-L36 PolarHBondContact O-N 3.06Å
33I88.8Confident86.6Confident73 Ų7377.4 Ų77.437%0.37440%0.397SS..Hα-helixtrans-62-45.2173.7-62.7177.3000110.8R26 K29 P30 F35 L36 S37R26-I33 HydrophobicContact CB-CD1 4.36Å; R26-I33 HydrophobicContact CB-CG1 4.11Å; R26-I33 HydrophobicContact CG-CG1 4.3Å; R26-I33 WeakPolarHBondContact O-CD1 3.41Å; K29-I33 PolarHBondContact O-N 2.85Å; P30-I33 WeakPolarHBondContact O-CB 3.47Å; P30-I33 PolarHBondContact O-N 3.1Å; P30-I33 VanDerWaalsContact O-N 3.11Å; I33-F35 VanDerWaalsContact C-N 3.34Å; I33-F35 PolarHBondContact O-N 3.18Å; I33-L36 PolarHBondContact O-N 3.4Å; I33-S37 PolarHBondContact O-N 3.49Å
34D90Very high86.4Confident81 Ų8184.9 Ų84.943%0.43343%0.43SS..Hα-helixtrans-57.6-47.3175.5172.472.9000111.6P30 L36 S37 R38P30-D34 PolarHBondContact O-N 3.23Å; D34-L36 PolarHBondContact O-N 3.46Å; D34-S37 WeakPolarHBondContact O-CB 3.28Å; D34-S37 PolarHBondContact O-N 3.28Å; D34-R38 PolarHBondContact O-N 3.27Å; D34-R38 IonicContact OD2-CZ 3.48Å; D34-R38 VanDerWaalsContact OD2-CZ 3.29Å; D34-R38 IonicContact OD2-NE 3.3Å; D34-R38 PolarHBondContact OD2-NE 3.16Å; D34-R38 IonicContact OD2-NH2 3.67Å; D34-R38 PolarHBondContact OD2-NH2 3.18Å
35F90.1Very high86.2Confident103 Ų10385 Ų8545%0.45243%0.429SS..Hα-helixtrans-57.9-48176172.7-101.7000112.1A31 F32 I33 S37 R38 C39A31-F35 WeakPolarHBondContact O-CB 3.48Å; A31-F35 PolarHBondContact O-N 2.89Å; F32-F35 HydrophobicContact CD2-CD1 4.41Å; F32-F35 HydrophobicContact CE2-CD1 4.48Å; F32-F35 PolarHBondContact O-N 3.12Å; I33-F35 VanDerWaalsContact C-N 3.34Å; I33-F35 PolarHBondContact O-N 3.18Å; F35-S37 VanDerWaalsContact C-N 3.31Å; F35-S37 PolarHBondContact O-N 3.19Å; F35-R38 PolarHBondContact O-N 3.34Å; F35-C39 WeakPolarHBondContact CZ-SG 3.37Å; F35-C39 PolarHBondContact O-N 2.97Å; F35-C39 PolarHBondContact O-SG 3.28Å; F35-C39 VanDerWaalsContact O-SG 3.36Å
36L88.5Confident86.1Confident15 Ų1590.7 Ų90.78%0.07945%0.452CS..Hα-helixtrans-59.8-41.5177.1-70.6176.8000111.9F22 R26 F32 I33 D34 C39 S40 L50F22-L36 HydrophobicContact CE2-CD1 3.8Å; F22-L36 HydrophobicContact CE2-CD2 4.27Å; F22-L36 HydrophobicContact CZ-CD1 3.7Å; R26-L36 HydrophobicContact CG-CD1 4.09Å; F32-L36 HydrophobicContact CD1-CD1 3.99Å; F32-L36 HydrophobicContact CD2-CG 4.44Å; F32-L36 HydrophobicContact CE1-CD1 3.59Å; F32-L36 HydrophobicContact CE1-CG 4.21Å; F32-L36 HydrophobicContact CE2-CD1 4.4Å; F32-L36 HydrophobicContact CE2-CD2 4.13Å; F32-L36 HydrophobicContact CE2-CG 4.13Å; F32-L36 HydrophobicContact CZ-CD1 3.82Å; F32-L36 HydrophobicContact CZ-CD2 3.99Å; F32-L36 HydrophobicContact CZ-CG 4.01Å; F32-L36 VanDerWaalsContact O-CG 3.31Å; F32-L36 WeakPolarHBondContact O-CG 3.04Å; F32-L36 PolarHBondContact O-N 3.06Å; I33-L36 PolarHBondContact O-N 3.4Å; D34-L36 PolarHBondContact O-N 3.46Å; L36-C39 PolarHBondContact O-N 3.48Å; L36-S40 PolarHBondContact O-N 2.96Å; L36-L50 HydrophobicContact CD2-CB 3.99Å; L36-L50 HydrophobicContact CD2-CD2 4.03Å
37S87Confident86.1Confident51 Ų5198 Ų9836%0.35748%0.48SS..Hα-helixtrans-59.5-50.3175.1178.80000111I33 D34 F35 C39 S40 H41I33-S37 PolarHBondContact O-N 3.49Å; D34-S37 WeakPolarHBondContact O-CB 3.28Å; D34-S37 PolarHBondContact O-N 3.28Å; F35-S37 VanDerWaalsContact C-N 3.31Å; F35-S37 PolarHBondContact O-N 3.19Å; S37-C39 VanDerWaalsContact C-N 3.34Å; S37-C39 PolarHBondContact O-N 3.22Å; S37-S40 PolarHBondContact O-N 3.42Å; S37-S40 VanDerWaalsContact O-N 3.11Å; S37-S40 PolarHBondContact O-OG 2.97Å; S37-H41 PolarHBondContact O-CD2 3.47Å; S37-H41 PolarHBondContact O-N 3.48Å; S37-H41 VanDerWaalsContact O-N 3.1Å
38R87.1Confident86.2Confident148 Ų14893.8 Ų93.856%0.55846%0.462SS*.Hα-helixtrans-59.1-41.6176.2-72.5-170.8-77.6139.2-5.3112.8D34 F35 S40 H41 T42D34-R38 PolarHBondContact O-N 3.27Å; D34-R38 IonicContact OD2-CZ 3.48Å; D34-R38 VanDerWaalsContact OD2-CZ 3.29Å; D34-R38 IonicContact OD2-NE 3.3Å; D34-R38 PolarHBondContact OD2-NE 3.16Å; D34-R38 IonicContact OD2-NH2 3.67Å; D34-R38 PolarHBondContact OD2-NH2 3.18Å; F35-R38 PolarHBondContact O-N 3.34Å; R38-S40 VanDerWaalsContact C-N 3.34Å; R38-S40 PolarHBondContact O-N 3.47Å; R38-H41 PolarHBondContact O-N 3.21Å; R38-T42 PolarHBondContact O-N 2.9Å; R38-T42 PolarHBondContact O-OG1 3.1Å
39C86.3Confident86.3Confident49 Ų4993 Ų9333%0.33146%0.46SS..Hα-helixtrans-60.2-43.3174.6-71.90000111.9F35 L36 S37 H41 T42 S45F35-C39 WeakPolarHBondContact CZ-SG 3.37Å; F35-C39 PolarHBondContact O-N 2.97Å; F35-C39 PolarHBondContact O-SG 3.28Å; F35-C39 VanDerWaalsContact O-SG 3.36Å; L36-C39 PolarHBondContact O-N 3.48Å; S37-C39 VanDerWaalsContact C-N 3.34Å; S37-C39 PolarHBondContact O-N 3.22Å; C39-H41 VanDerWaalsContact C-N 3.27Å; C39-H41 PolarHBondContact O-N 2.96Å; C39-T42 WeakPolarHBondContact O-CB 3.42Å; C39-T42 PolarHBondContact O-N 3.02Å; C39-T42 PolarHBondContact O-OG1 3.42Å; C39-S45 VanDerWaalsContact O-CB 3.28Å; C39-S45 WeakPolarHBondContact O-CB 3.4Å; C39-S45 PolarHBondContact O-OG 3.45Å
40S84.5Confident86.2Confident30 Ų3092.9 Ų92.921%0.2146%0.463CS..Hα-helixtrans-64.9-28.2177.677.70000113.4L36 S37 R38 T42 S45 R47L36-S40 PolarHBondContact O-N 2.96Å; S37-S40 PolarHBondContact O-N 3.42Å; S37-S40 VanDerWaalsContact O-N 3.11Å; S37-S40 PolarHBondContact O-OG 2.97Å; R38-S40 VanDerWaalsContact C-N 3.34Å; R38-S40 PolarHBondContact O-N 3.47Å; S40-T42 VanDerWaalsContact C-N 3.29Å; S40-T42 PolarHBondContact O-N 3.07Å; S40-S45 WeakPolarHBondContact CA-OG 3.3Å; S40-S45 PolarHBondContact O-OG 3.39Å; S40-R47 WeakPolarHBondContact O-CA 3.28Å; S40-R47 PolarHBondContact O-N 3.24Å
41H84.2Confident86.3Confident138 Ų13888.6 Ų88.664%0.63943%0.434SS*.Hα-helixtrans-79.5-11.2177.2-74.5-64.9000113.8S37 R38 C39S37-H41 PolarHBondContact O-CD2 3.47Å; S37-H41 PolarHBondContact O-N 3.48Å; S37-H41 VanDerWaalsContact O-N 3.1Å; R38-H41 PolarHBondContact O-N 3.21Å; C39-H41 VanDerWaalsContact C-N 3.27Å; C39-H41 PolarHBondContact O-N 2.96Å
42T84.9Confident86.1Confident78 Ų7889.8 Ų89.848%0.47943%0.426SS..SBendtrans-73.6139.7178.5-55.80000111.1R38 C39 S40 F44 S45R38-T42 PolarHBondContact O-N 2.9Å; R38-T42 PolarHBondContact O-OG1 3.1Å; C39-T42 WeakPolarHBondContact O-CB 3.42Å; C39-T42 PolarHBondContact O-N 3.02Å; C39-T42 PolarHBondContact O-OG1 3.42Å; S40-T42 VanDerWaalsContact C-N 3.29Å; S40-T42 PolarHBondContact O-N 3.07Å; T42-F44 HydrophobicContact CG2-CB 4.38Å; T42-F44 PolarHBondContact O-N 3.21Å; T42-F44 VanDerWaalsContact O-N 3.09Å; T42-S45 PolarHBondContact O-N 3.27Å; T42-S45 VanDerWaalsContact O-N 3.09Å; T42-S45 PolarHBondContact O-OG 3.17Å
43H79.9Confident86.1Confident189 Ų18992.2 Ų92.288%0.87544%0.437SS*.G310 helixtrans-54.8-33.4-178.6-75.2-80.1000114.1S45 K46H43-S45 PolarHBondContact O-N 2.93Å; H43-K46 PolarHBondContact O-N 3.41Å
44F81.6Confident86.3Confident186 Ų18691.4 Ų91.482%0.81643%0.433SS*.G310 helixtrans-64.7-35.5179.5177.8-100.5000113.6T42 K46T42-F44 HydrophobicContact CG2-CB 4.38Å; T42-F44 PolarHBondContact O-N 3.21Å; T42-F44 VanDerWaalsContact O-N 3.09Å; F44-K46 VanDerWaalsContact C-N 3.27Å; F44-K46 PolarHBondContact O-N 3.12Å
45S79.5Confident86.3Confident11 Ų1190.1 Ų90.18%0.07742%0.424CS..G310 helixtrans-81.1-7.8-177.364.10000113.2C39 S40 T42 H43 R47 L48C39-S45 VanDerWaalsContact O-CB 3.28Å; C39-S45 WeakPolarHBondContact O-CB 3.4Å; C39-S45 PolarHBondContact O-OG 3.45Å; S40-S45 WeakPolarHBondContact CA-OG 3.3Å; S40-S45 PolarHBondContact O-OG 3.39Å; T42-S45 PolarHBondContact O-N 3.27Å; T42-S45 VanDerWaalsContact O-N 3.09Å; T42-S45 PolarHBondContact O-OG 3.17Å; H43-S45 PolarHBondContact O-N 2.93Å; S45-R47 PolarHBondContact O-N 3.1Å; S45-R47 VanDerWaalsContact O-N 3.09Å; S45-L48 WeakPolarHBondContact O-CB 3.48Å; S45-L48 PolarHBondContact O-N 2.87Å
46K84Confident86.3Confident166 Ų16686.9 Ų86.972%0.72241%0.414SS*.THydrogen-bonded Turntrans51.132.7-179.1-57.6-178.8-179.7179.80113.2H43 F44 L48H43-K46 PolarHBondContact O-N 3.41Å; F44-K46 VanDerWaalsContact C-N 3.27Å; F44-K46 PolarHBondContact O-N 3.12Å; K46-L48 HydrophobicContact CB-CD1 4.39Å; K46-L48 PolarHBondContact O-N 3.38Å
47R84Confident86.3Confident215 Ų21588.4 Ų88.481%0.81143%0.425SS*.THydrogen-bonded Turntrans63.227.4-177.6-51.6178.4177.6-179.2-2.1114.3S40 S45S40-R47 WeakPolarHBondContact O-CA 3.28Å; S40-R47 PolarHBondContact O-N 3.24Å; S45-R47 PolarHBondContact O-N 3.1Å; S45-R47 VanDerWaalsContact O-N 3.09Å
48L85.7Confident86.4Confident62 Ų6286.5 Ų86.533%0.32541%0.41SS..  trans-102144.2176.1-60.7166.6000110.3S45 K46 H52 F53S45-L48 WeakPolarHBondContact O-CB 3.48Å; S45-L48 PolarHBondContact O-N 2.87Å; K46-L48 HydrophobicContact CB-CD1 4.39Å; K46-L48 PolarHBondContact O-N 3.38Å; L48-H52 HydrophobicContact CB-CB 4.32Å; L48-F53 HydrophobicContact CB-CE2 3.79Å; L48-F53 HydrophobicContact CB-CZ 3.86Å; L48-F53 HydrophobicContact CD1-CE1 4.37Å; L48-F53 HydrophobicContact CD1-CZ 4.03Å
49D86.4Confident86.5Confident61 Ų6181.6 Ų81.633%0.32640%0.399SS..  trans-67.4151.9174.3-170.89.9000110.8W51 H52 F53D49-W51 PolarHBondContact O-N 2.97Å; D49-H52 VanDerWaalsContact O-CB 3.24Å; D49-H52 WeakPolarHBondContact O-CB 3.37Å; D49-H52 PolarHBondContact O-N 2.98Å; D49-F53 WeakPolarHBondContact O-CD2 3.49Å
50L88.6Confident86.7Confident78 Ų7884.8 Ų84.841%0.40840%0.404SS..Hα-helixtrans-53.3-42.2176.517560.2000111F22 L36 H52 F53 L54F22-L50 HydrophobicContact CE2-CD2 4.24Å; L36-L50 HydrophobicContact CD2-CB 3.99Å; L36-L50 HydrophobicContact CD2-CD2 4.03Å; L50-H52 PolarHBondContact O-N 3.36Å; L50-F53 PolarHBondContact O-N 3.46Å; L50-F53 VanDerWaalsContact O-N 3.1Å; L50-L54 HydrophobicContact CG-CD1 4.24Å; L50-L54 PolarHBondContact O-N 2.78Å
51W89.2Confident86.9Confident12 Ų1283.8 Ų83.85%0.04540%0.396CS..Hα-helixtrans-61.1-32.3-178.8-165.6-95.6000113.4L15 A18 R19 F22 D49 F53 L54 E55L15-W51 HydrophobicContact CB-CZ2 4.42Å; L15-W51 HydrophobicContact CD2-CH2 4.21Å; L15-W51 HydrophobicContact CD2-CZ2 4.35Å; L15-W51 WeakPolarHBondContact O-CH2 3.46Å; A18-W51 HydrophobicContact CB-CH2 4.32Å; R19-W51 HydrophobicContact CB-CH2 3.42Å; R19-W51 VanDerWaalsContact CB-CH2 3.42Å; R19-W51 HydrophobicContact CB-CZ2 3.55Å; R19-W51 HydrophobicContact CB-CZ3 4.1Å; R19-W51 VanDerWaalsContact CD-CD2 3.48Å; R19-W51 HydrophobicContact CG-CH2 4.16Å; R19-W51 HydrophobicContact CG-CZ2 3.94Å; R19-W51 VanDerWaalsContact N-CH2 3.33Å; F22-W51 HydrophobicContact CB-CE3 4.39Å; F22-W51 HydrophobicContact CB-CZ3 4.22Å; F22-W51 HydrophobicContact CD1-CE3 4.06Å; F22-W51 HydrophobicContact CE1-CB 4.46Å; F22-W51 HydrophobicContact CE1-CE3 4.5Å; F22-W51 HydrophobicContact CG-CE3 4.13Å; F22-W51 HydrophobicContact CG-CZ3 4.44Å; D49-W51 PolarHBondContact O-N 2.97Å; W51-F53 PolarHBondContact O-N 3.11Å; W51-L54 HydrophobicContact CE3-CD1 3.91Å; W51-L54 HydrophobicContact CZ3-CD1 3.98Å; W51-L54 PolarHBondContact O-N 3.47Å; W51-E55 PolarHBondContact NE1-OE2 3.39Å; W51-E55 WeakPolarHBondContact O-CB 3.38Å; W51-E55 PolarHBondContact O-N 3.09Å
52H88.3Confident87.1Confident99 Ų9978.7 Ų78.746%0.45838%0.375SS..Hα-helixtrans-57.5-40.4177.2177.384.8000111.5L48 D49 L50 C56L48-H52 HydrophobicContact CB-CB 4.32Å; D49-H52 VanDerWaalsContact O-CB 3.24Å; D49-H52 WeakPolarHBondContact O-CB 3.37Å; D49-H52 PolarHBondContact O-N 2.98Å; L50-H52 PolarHBondContact O-N 3.36Å; H52-C56 WeakPolarHBondContact O-CB 3.47Å; H52-C56 PolarHBondContact O-N 3.09Å; H52-C56 VanDerWaalsContact O-N 3.16Å
53F89.6Confident87.5Confident91 Ų9181 Ų8140%0.39938%0.375SS..Hα-helixtrans-71.1-40.7178.4-62-76.7000111.8L48 D49 L50 W51 C56L48-F53 HydrophobicContact CB-CE2 3.79Å; L48-F53 HydrophobicContact CB-CZ 3.86Å; L48-F53 HydrophobicContact CD1-CE1 4.37Å; L48-F53 HydrophobicContact CD1-CZ 4.03Å; D49-F53 WeakPolarHBondContact O-CD2 3.49Å; L50-F53 PolarHBondContact O-N 3.46Å; L50-F53 VanDerWaalsContact O-N 3.1Å; W51-F53 PolarHBondContact O-N 3.11Å; F53-C56 WeakPolarHBondContact O-CB 3.27Å; F53-C56 PolarHBondContact O-N 3.39Å
54L91.9Very high88Confident56 Ų5673.5 Ų73.529%0.29334%0.339SS..Hα-helixtrans-65.9-37.6178.8-60.6178.6000112.2Y11 L15 L50 W51 P57Y11-L54 WeakPolarHBondContact CE1-O 3.38Å; Y11-L54 WeakPolarHBondContact OH-CA 3.44Å; Y11-L54 PolarHBondContact OH-O 3.23Å; L15-L54 HydrophobicContact CD2-CB 4.15Å; L50-L54 HydrophobicContact CG-CD1 4.24Å; L50-L54 PolarHBondContact O-N 2.78Å; W51-L54 HydrophobicContact CE3-CD1 3.91Å; W51-L54 HydrophobicContact CZ3-CD1 3.98Å; W51-L54 PolarHBondContact O-N 3.47Å; L54-P57 WeakPolarHBondContact O-CD 3.39Å
55E90.3Very high88.5Confident54 Ų5465.5 Ų65.525%0.25231%0.306SS..Hα-helixtrans-83.3-13.6179.7-164.7171-174.400113.3W51 K58 S59W51-E55 PolarHBondContact NE1-OE2 3.39Å; W51-E55 WeakPolarHBondContact O-CB 3.38Å; W51-E55 PolarHBondContact O-N 3.09Å; E55-K58 HydrophobicContact CG-CD 4.4Å; E55-K58 PolarHBondContact O-N 2.97Å; E55-S59 WeakPolarHBondContact O-CB 3.27Å; E55-S59 PolarHBondContact O-N 2.71Å; E55-S59 PolarHBondContact O-OG 3.42Å
56C90.1Very high89.1Confident35 Ų3569 Ų6924%0.23632%0.323CS..Hα-helixtrans-54.9-44.9-176.4-167.60000113.8H52 F53 S59 R60H52-C56 WeakPolarHBondContact O-CB 3.47Å; H52-C56 PolarHBondContact O-N 3.09Å; H52-C56 VanDerWaalsContact O-N 3.16Å; F53-C56 WeakPolarHBondContact O-CB 3.27Å; F53-C56 PolarHBondContact O-N 3.39Å; C56-S59 PolarHBondContact O-N 2.87Å; C56-R60 VanDerWaalsContact O-CB 3.28Å; C56-R60 WeakPolarHBondContact O-CB 3.41Å; C56-R60 PolarHBondContact O-N 3.39Å
57P88.3Confident89.5Confident48 Ų4865.6 Ų65.631%0.31231%0.312SS..Hα-helixtrans-61.3-45.7179.2-2335.2000112.6L8 Y11 L54 R60 L61L8-P57 HydrophobicContact CD1-CB 3.47Å; L8-P57 VanDerWaalsContact CD1-CB 3.47Å; Y11-P57 HydrophobicContact CE1-CB 4.36Å; Y11-P57 HydrophobicContact CE1-CG 4.05Å; L54-P57 WeakPolarHBondContact O-CD 3.39Å; P57-R60 PolarHBondContact O-N 2.99Å; P57-L61 WeakPolarHBondContact O-CB 3.38Å; P57-L61 PolarHBondContact O-N 2.64Å
58K89.9Confident90Very high10 Ų1055.7 Ų55.74%0.04328%0.275CS..Hα-helixtrans-60-52.4174.5175.8-167.2161.477.30110.9L15 Y16 E55 R60 L61 T62 L99L15-K58 HydrophobicContact CD1-CB 3.98Å; L15-K58 HydrophobicContact CD1-CD 4.24Å; Y16-K58 WeakPolarHBondContact OH-CE 3.42Å; Y16-K58 PolarHBondContact OH-NZ 2.71Å; E55-K58 HydrophobicContact CG-CD 4.4Å; E55-K58 PolarHBondContact O-N 2.97Å; K58-R60 PolarHBondContact O-N 2.73Å; K58-L61 WeakPolarHBondContact O-CB 3.37Å; K58-L61 PolarHBondContact O-N 3.42Å; K58-L61 VanDerWaalsContact O-N 3.14Å; K58-T62 PolarHBondContact O-N 3.22Å; K58-T62 VanDerWaalsContact O-N 3.09Å; K58-T62 PolarHBondContact O-OG1 2.9Å; K58-L99 HydrophobicContact CG-CD2 4.49Å
59S89.4Confident90.4Very high45 Ų4555.2 Ų55.232%0.31527%0.273SS..Hα-helixtrans-63.2-27.8-179.3-69.30000113.4E55 C56 T62 R63E55-S59 WeakPolarHBondContact O-CB 3.27Å; E55-S59 PolarHBondContact O-N 2.71Å; E55-S59 PolarHBondContact O-OG 3.42Å; C56-S59 PolarHBondContact O-N 2.87Å; S59-T62 PolarHBondContact O-OG1 3.34Å; S59-R63 VanDerWaalsContact O-CG 3.31Å; S59-R63 WeakPolarHBondContact O-CG 3.33Å; S59-R63 PolarHBondContact O-NE 2.9Å
60R89.9Confident90.7Very high116 Ų11658.9 Ų58.944%0.43828%0.283SS..Hα-helixtrans-76.7-43.1173.7-169.5175.5-62.2-161.40.2110.8C56 P57 K58 T62 R63 Y64C56-R60 VanDerWaalsContact O-CB 3.28Å; C56-R60 WeakPolarHBondContact O-CB 3.41Å; C56-R60 PolarHBondContact O-N 3.39Å; P57-R60 PolarHBondContact O-N 2.99Å; K58-R60 PolarHBondContact O-N 2.73Å; R60-T62 VanDerWaalsContact C-N 3.32Å; R60-T62 PolarHBondContact O-N 2.89Å; R60-R63 PolarHBondContact O-N 3.5Å; R60-R63 VanDerWaalsContact O-N 3.1Å; R60-Y64 HydrophobicContact CG-CE2 4.11Å; R60-Y64 WeakPolarHBondContact O-CD2 3.34Å
61L89.4Confident90.9Very high9 Ų955.9 Ų55.95%0.04727%0.267CS..Hα-helixtrans-57-46.7179.1-173.459.5000111.4L8 L9 P57 K58 R63 Y64 F92 I95 I96 L99L8-L61 HydrophobicContact CD2-CB 4.41Å; L8-L61 HydrophobicContact CD2-CD1 4.21Å; L8-L61 HydrophobicContact CD2-CD2 3.87Å; L8-L61 HydrophobicContact CD2-CG 4.39Å; L8-L61 HydrophobicContact CG-CD2 4.18Å; L9-L61 HydrophobicContact CD2-CD2 4.14Å; P57-L61 WeakPolarHBondContact O-CB 3.38Å; P57-L61 PolarHBondContact O-N 2.64Å; K58-L61 WeakPolarHBondContact O-CB 3.37Å; K58-L61 PolarHBondContact O-N 3.42Å; K58-L61 VanDerWaalsContact O-N 3.14Å; L61-R63 PolarHBondContact O-N 3.08Å; L61-Y64 HydrophobicContact CD1-CD2 4.37Å; L61-Y64 PolarHBondContact O-N 2.93Å; L61-F92 HydrophobicContact CD1-CD1 4.46Å; L61-F92 HydrophobicContact CD1-CE1 4.28Å; L61-I95 HydrophobicContact CD1-CG2 4.14Å; L61-I95 HydrophobicContact CD2-CG2 4.16Å; L61-I95 HydrophobicContact CG-CG2 4.47Å; L61-I96 HydrophobicContact CD2-CD1 4.46Å; L61-I96 HydrophobicContact CG-CD1 3.85Å; L61-L99 HydrophobicContact CD2-CD2 4.18Å
62T89.2Confident91.1Very high32 Ų3256.6 Ų56.620%0.19627%0.271CS..THydrogen-bonded Turntrans-65.9-17.7179.156.30000114.4K58 S59 R60 I96 L99 I226K58-T62 PolarHBondContact O-N 3.22Å; K58-T62 VanDerWaalsContact O-N 3.09Å; K58-T62 PolarHBondContact O-OG1 2.9Å; S59-T62 PolarHBondContact O-OG1 3.34Å; R60-T62 VanDerWaalsContact C-N 3.32Å; R60-T62 PolarHBondContact O-N 2.89Å; T62-I96 HydrophobicContact CG2-CD1 4.1Å; T62-L99 HydrophobicContact CG2-CD2 4.19Å; T62-I226 HydrophobicContact CG2-CG2 3.84Å
63R91.5Very high91.4Very high125 Ų12558 Ų5847%0.47228%0.278SS..THydrogen-bonded Turntrans-85.3-21178.7-75.1-176.8-67.1159.5-1.4114.1S59 R60 L61 L66 L67S59-R63 VanDerWaalsContact O-CG 3.31Å; S59-R63 WeakPolarHBondContact O-CG 3.33Å; S59-R63 PolarHBondContact O-NE 2.9Å; R60-R63 PolarHBondContact O-N 3.5Å; R60-R63 VanDerWaalsContact O-N 3.1Å; L61-R63 PolarHBondContact O-N 3.08Å; R63-L66 WeakPolarHBondContact O-CB 3.47Å; R63-L66 PolarHBondContact O-N 3.18Å; R63-L66 VanDerWaalsContact O-N 3.1Å; R63-L67 PolarHBondContact O-N 2.98Å; R63-L67 VanDerWaalsContact O-N 3.12Å
64Y91.7Very high91.6Very high33 Ų3358 Ų5813%0.12928%0.282CS..Hα-helixtrans-58.9-44-177.5-74.7-70.1000113.8R60 L61 L66 L67 L68 F92 L259R60-Y64 HydrophobicContact CG-CE2 4.11Å; R60-Y64 WeakPolarHBondContact O-CD2 3.34Å; L61-Y64 HydrophobicContact CD1-CD2 4.37Å; L61-Y64 PolarHBondContact O-N 2.93Å; Y64-L66 PolarHBondContact O-N 3.4Å; Y64-L67 PolarHBondContact O-N 2.88Å; Y64-L68 WeakPolarHBondContact O-CB 3.41Å; Y64-L68 VanDerWaalsContact O-CG 3.3Å; Y64-L68 WeakPolarHBondContact O-CG 3.35Å; Y64-L68 PolarHBondContact O-N 3Å; Y64-F92 HydrophobicContact CD1-CZ 4.38Å; Y64-F92 HydrophobicContact CD2-CD1 4.34Å; Y64-F92 AromaticContact CD2-CE1 3.72Å; Y64-F92 HydrophobicContact CD2-CE1 3.72Å; Y64-F92 HydrophobicContact CD2-CZ 4.29Å; Y64-F92 HydrophobicContact CE2-CE1 4.48Å; Y64-F92 HydrophobicContact CG-CD1 4.24Å; Y64-F92 AromaticContact CG-CE1 3.76Å; Y64-F92 HydrophobicContact CG-CE1 3.76Å; Y64-F92 HydrophobicContact CG-CZ 4.04Å; Y64-L259 HydrophobicContact CD1-CD2 4.34Å; Y64-L259 HydrophobicContact CE1-CD2 3.99Å
65P91.7Very high91.6Very high18 Ų1855.9 Ų55.912%0.11727%0.271CS..Hα-helixtrans-56.6-37.8174.4-25.633.6000113.2L68 N69 F92 I96P65-L68 PolarHBondContact O-N 3.21Å; P65-N69 WeakPolarHBondContact O-CB 3.36Å; P65-N69 PolarHBondContact O-N 3.18Å; P65-N69 PolarHBondContact O-ND2 3.46Å; P65-F92 HydrophobicContact CG-CB 4.15Å; P65-I96 HydrophobicContact CG-CG1 3.93Å
66L90.9Very high91.7Very high84 Ų8456.7 Ų56.744%0.4428%0.281SS..Hα-helixtrans-66.4-43.7179.1-53.6-179.7000111.7R63 Y64 L68 N69 R70 T229R63-L66 WeakPolarHBondContact O-CB 3.47Å; R63-L66 PolarHBondContact O-N 3.18Å; R63-L66 VanDerWaalsContact O-N 3.1Å; Y64-L66 PolarHBondContact O-N 3.4Å; L66-L68 VanDerWaalsContact C-N 3.33Å; L66-N69 PolarHBondContact O-N 2.96Å; L66-R70 PolarHBondContact O-N 3.16Å; L66-R70 VanDerWaalsContact O-N 3.11Å; L66-T229 HydrophobicContact CD2-CG2 3.4Å; L66-T229 VanDerWaalsContact CD2-CG2 3.4Å
67L93.7Very high91.6Very high94 Ų9460.2 Ų60.249%0.49231%0.306SS..Hα-helixtrans-64.8-40176.6-64.4175.2000111.2R63 Y64 R70 L71R63-L67 PolarHBondContact O-N 2.98Å; R63-L67 VanDerWaalsContact O-N 3.12Å; Y64-L67 PolarHBondContact O-N 2.88Å; L67-R70 PolarHBondContact O-N 2.88Å; L67-L71 WeakPolarHBondContact O-CG 3.46Å; L67-L71 PolarHBondContact O-N 3.31Å
68L94.1Very high91.7Very high7 Ų764 Ų644%0.03733%0.328CS..Hα-helixtrans-67.3-41.8177.4-71164.6000111.9Y64 P65 L66 R70 L71 I72 L85 V88 R89 F92Y64-L68 WeakPolarHBondContact O-CB 3.41Å; Y64-L68 VanDerWaalsContact O-CG 3.3Å; Y64-L68 WeakPolarHBondContact O-CG 3.35Å; Y64-L68 PolarHBondContact O-N 3Å; P65-L68 PolarHBondContact O-N 3.21Å; L66-L68 VanDerWaalsContact C-N 3.33Å; L68-R70 VanDerWaalsContact C-N 3.28Å; L68-R70 PolarHBondContact O-N 3.31Å; L68-L71 HydrophobicContact CD2-CD1 4.42Å; L68-L71 WeakPolarHBondContact O-CB 3.39Å; L68-L71 PolarHBondContact O-N 3.32Å; L68-I72 WeakPolarHBondContact O-CB 3.44Å; L68-I72 WeakPolarHBondContact O-CD1 3.24Å; L68-I72 VanDerWaalsContact O-CG1 3.27Å; L68-I72 WeakPolarHBondContact O-CG1 3.31Å; L68-I72 PolarHBondContact O-N 3.38Å; L68-L85 HydrophobicContact CD2-CD2 4.2Å; L68-V88 HydrophobicContact CD1-CG1 3.86Å; L68-V88 HydrophobicContact CD2-CG1 3.92Å; L68-R89 HydrophobicContact CB-CB 4.27Å; L68-R89 HydrophobicContact CD1-CB 4.47Å; L68-F92 HydrophobicContact CD1-CB 4.19Å; L68-F92 HydrophobicContact CD1-CD2 3.47Å; L68-F92 VanDerWaalsContact CD1-CD2 3.47Å; L68-F92 HydrophobicContact CD1-CE2 4.14Å; L68-F92 HydrophobicContact CD1-CG 4.08Å
69N93.8Very high91.8Very high53 Ų5365.5 Ų65.528%0.28334%0.337SS..Hα-helixtrans-57.2-44.8173.6-72.9-17.2000110.9P65 L66 L71 I72 E73 R89P65-N69 WeakPolarHBondContact O-CB 3.36Å; P65-N69 PolarHBondContact O-N 3.18Å; P65-N69 PolarHBondContact O-ND2 3.46Å; L66-N69 PolarHBondContact O-N 2.96Å; N69-L71 PolarHBondContact O-N 3.35Å; N69-I72 PolarHBondContact O-N 2.84Å; N69-E73 WeakPolarHBondContact O-CG 3.44Å; N69-E73 PolarHBondContact O-N 3.38Å; N69-R89 WeakPolarHBondContact OD1-CD 3.46Å
70R93.4Very high91.8Very high138 Ų13868 Ų6852%0.52135%0.352SS..Hα-helixtrans-66.6-35.9177.6-172.254.6173.4-177.31.3113.2L66 L67 L68 E73 L74L66-R70 PolarHBondContact O-N 3.16Å; L66-R70 VanDerWaalsContact O-N 3.11Å; L67-R70 PolarHBondContact O-N 2.88Å; L68-R70 VanDerWaalsContact C-N 3.28Å; L68-R70 PolarHBondContact O-N 3.31Å; R70-E73 VanDerWaalsContact CD-OE2 3.27Å; R70-E73 WeakPolarHBondContact CD-OE2 3.36Å; R70-E73 IonicContact CZ-OE2 3.75Å; R70-E73 IonicContact NE-OE2 2.63Å; R70-E73 IonicContact NH1-OE2 2.96Å; R70-E73 PolarHBondContact NH1-OE2 3.09Å; R70-L74 HydrophobicContact CG-CD1 4.38Å; R70-L74 WeakPolarHBondContact O-CG 3.28Å; R70-L74 PolarHBondContact O-N 3.14Å
71L92.4Very high91.9Very high15 Ų1565.1 Ų65.18%0.07934%0.344CS..Hα-helixtrans-63.8-44.9173.6-78.3172000111.3L67 L68 N69 L74 T75 L85 L255 L259L67-L71 WeakPolarHBondContact O-CG 3.46Å; L67-L71 PolarHBondContact O-N 3.31Å; L68-L71 HydrophobicContact CD2-CD1 4.42Å; L68-L71 WeakPolarHBondContact O-CB 3.39Å; L68-L71 PolarHBondContact O-N 3.32Å; N69-L71 PolarHBondContact O-N 3.35Å; L71-L74 PolarHBondContact O-N 2.89Å; L71-T75 WeakPolarHBondContact O-CB 3.35Å; L71-T75 PolarHBondContact O-N 3.28Å; L71-T75 VanDerWaalsContact O-N 3.12Å; L71-T75 PolarHBondContact O-OG1 3.25Å; L71-L85 HydrophobicContact CB-CD1 4.34Å; L71-L85 HydrophobicContact CB-CD2 4.34Å; L71-L85 HydrophobicContact CD1-CD2 4.34Å; L71-L255 HydrophobicContact CD2-CB 3.95Å; L71-L255 HydrophobicContact CD2-CD1 3.35Å; L71-L255 HydrophobicContact CD2-CG 4.19Å; L71-L259 HydrophobicContact CD1-CD1 4.18Å
72I94.3Very high92Very high26 Ų2666.2 Ų66.213%0.13335%0.349CS..Hα-helixtrans-60.8-45.3178.4-71.6160.3000110.8L68 N69 L74 T75 L82 L85 L86 R89L68-I72 WeakPolarHBondContact O-CB 3.44Å; L68-I72 WeakPolarHBondContact O-CD1 3.24Å; L68-I72 VanDerWaalsContact O-CG1 3.27Å; L68-I72 WeakPolarHBondContact O-CG1 3.31Å; L68-I72 PolarHBondContact O-N 3.38Å; N69-I72 PolarHBondContact O-N 2.84Å; I72-L74 PolarHBondContact O-N 3.38Å; I72-T75 PolarHBondContact O-N 2.9Å; I72-T75 VanDerWaalsContact O-N 3.1Å; I72-L82 HydrophobicContact CB-CD1 4.48Å; I72-L82 HydrophobicContact CG1-CD1 4.45Å; I72-L82 HydrophobicContact CG2-CD1 3.89Å; I72-L85 HydrophobicContact CD1-CB 4.33Å; I72-L85 HydrophobicContact CG1-CB 3.73Å; I72-L85 HydrophobicContact CG1-CD1 4.35Å; I72-L86 HydrophobicContact CD1-CD2 3.97Å; I72-L86 HydrophobicContact CG1-CD2 4.47Å; I72-L86 HydrophobicContact CG2-CD2 4.26Å; I72-R89 HydrophobicContact CD1-CB 3.96Å; I72-R89 HydrophobicContact CD1-CG 4.29Å
73E94Very high92.1Very high128 Ų12867.8 Ų67.860%0.59836%0.362SS*.Hα-helixtrans-58-32.2176.5-74.8169.2-166.600113.6N69 R70N69-E73 WeakPolarHBondContact O-CG 3.44Å; N69-E73 PolarHBondContact O-N 3.38Å; R70-E73 VanDerWaalsContact CD-OE2 3.27Å; R70-E73 WeakPolarHBondContact CD-OE2 3.36Å; R70-E73 IonicContact CZ-OE2 3.75Å; R70-E73 IonicContact NE-OE2 2.63Å; R70-E73 IonicContact NH1-OE2 2.96Å; R70-E73 PolarHBondContact NH1-OE2 3.09Å
74L93.3Very high92.2Very high93 Ų9367.4 Ų67.449%0.48737%0.365SS..THydrogen-bonded Turntrans-91.5-6-179-64.9174.2000113.1R70 L71 I72R70-L74 HydrophobicContact CG-CD1 4.38Å; R70-L74 WeakPolarHBondContact O-CG 3.28Å; R70-L74 PolarHBondContact O-N 3.14Å; L71-L74 PolarHBondContact O-N 2.89Å; I72-L74 PolarHBondContact O-N 3.38Å
75T92.9Very high92.3Very high10 Ų1065.9 Ų65.96%0.06136%0.359CS..SBendtrans-96.7122.1-176.2-57.70000109.5L71 I72 D79 L82 L85L71-T75 WeakPolarHBondContact O-CB 3.35Å; L71-T75 PolarHBondContact O-N 3.28Å; L71-T75 VanDerWaalsContact O-N 3.12Å; L71-T75 PolarHBondContact O-OG1 3.25Å; I72-T75 PolarHBondContact O-N 2.9Å; I72-T75 VanDerWaalsContact O-N 3.1Å; T75-D79 HydrophobicContact CG2-CB 3.76Å; T75-L82 HydrophobicContact CG2-CB 3.98Å; T75-L82 HydrophobicContact CG2-CD1 4.41Å; T75-L85 HydrophobicContact CG2-CD1 4.25Å; T75-L85 WeakPolarHBondContact OG1-CD1 3.4Å
76P92Very high92.4Very high72 Ų7268 Ų6847%0.46837%0.369SS..  trans-58.6149.7177.5-23.733.9000112.8T78 D79P76-T78 PolarHBondContact O-N 2.97Å; P76-D79 WeakPolarHBondContact O-CB 3.34Å; P76-D79 PolarHBondContact O-N 3.26Å; P76-D79 VanDerWaalsContact O-N 3.08Å
77S88Confident92.5Very high109 Ų10969 Ų6976%0.76238%0.378SS*.THydrogen-bonded Turntrans-64.3-20.217853.40000114.2
78T90.1Very high92.5Very high126 Ų12667 Ų6777%0.77337%0.37SS*.THydrogen-bonded Turntrans-83.7-11.3176.952.80000113.4P76P76-T78 PolarHBondContact O-N 2.97Å
79D91.7Very high92.5Very high43 Ų4370.7 Ų70.723%0.2338%0.383CS..  trans-79.5123.1-176.3-166.1-35.6000110.5T75 P76 E81 L82T75-D79 HydrophobicContact CG2-CB 3.76Å; P76-D79 WeakPolarHBondContact O-CB 3.34Å; P76-D79 PolarHBondContact O-N 3.26Å; P76-D79 VanDerWaalsContact O-N 3.08Å; D79-E81 PolarHBondContact O-N 3.03Å; D79-E81 VanDerWaalsContact OD1-CB 3.27Å; D79-E81 WeakPolarHBondContact OD1-CB 3.45Å; D79-E81 WeakPolarHBondContact OD1-CG 3.13Å; D79-E81 PolarHBondContact OD1-N 3.1Å; D79-L82 VanDerWaalsContact O-CB 3.26Å; D79-L82 WeakPolarHBondContact O-CB 3.19Å; D79-L82 PolarHBondContact O-N 3.36Å
80P89.8Confident92.5Very high97 Ų9771.8 Ų71.863%0.6340%0.395SS*.THydrogen-bonded Turntrans-60.4-24.5176.725.7-35.2000113.2L82 S83P80-L82 PolarHBondContact O-N 2.91Å; P80-S83 PolarHBondContact O-N 3.2Å; P80-S83 PolarHBondContact O-OG 3.37Å
81E91.2Very high92.4Very high56 Ų5667.6 Ų67.626%0.26239%0.39SS..Hα-helixtrans-63-25.2175.4-67.5-172.6175.300112.7D79 S83 H84 L85 C252D79-E81 PolarHBondContact O-N 3.03Å; D79-E81 VanDerWaalsContact OD1-CB 3.27Å; D79-E81 WeakPolarHBondContact OD1-CB 3.45Å; D79-E81 WeakPolarHBondContact OD1-CG 3.13Å; D79-E81 PolarHBondContact OD1-N 3.1Å; E81-S83 VanDerWaalsContact C-N 3.3Å; E81-S83 PolarHBondContact O-N 3.29Å; E81-H84 PolarHBondContact O-N 2.67Å; E81-L85 WeakPolarHBondContact O-CG 3.44Å; E81-L85 PolarHBondContact O-N 3.24Å; E81-C252 WeakPolarHBondContact OE2-CB 3.1Å
82L92.8Very high92.4Very high32 Ų3268.5 Ų68.517%0.16839%0.393CS..Hα-helixtrans-58.3-42.4-180179.759.5000111.9I72 T75 D79 P80 H84 L85 L86I72-L82 HydrophobicContact CB-CD1 4.48Å; I72-L82 HydrophobicContact CG1-CD1 4.45Å; I72-L82 HydrophobicContact CG2-CD1 3.89Å; T75-L82 HydrophobicContact CG2-CB 3.98Å; T75-L82 HydrophobicContact CG2-CD1 4.41Å; D79-L82 VanDerWaalsContact O-CB 3.26Å; D79-L82 WeakPolarHBondContact O-CB 3.19Å; D79-L82 PolarHBondContact O-N 3.36Å; P80-L82 PolarHBondContact O-N 2.91Å; L82-H84 VanDerWaalsContact C-N 3.34Å; L82-H84 PolarHBondContact O-N 3.04Å; L82-L85 PolarHBondContact O-N 3.11Å; L82-L86 HydrophobicContact CD1-CG 4.41Å; L82-L86 HydrophobicContact CG-CD1 4.34Å; L82-L86 WeakPolarHBondContact O-CG 3.32Å; L82-L86 PolarHBondContact O-N 3.19Å
83S91.6Very high92.3Very high65 Ų6569.8 Ų69.846%0.45540%0.402SS..Hα-helixtrans-59.2-45178.267.60000111.7P80 E81 L86 V87P80-S83 PolarHBondContact O-N 3.2Å; P80-S83 PolarHBondContact O-OG 3.37Å; E81-S83 VanDerWaalsContact C-N 3.3Å; E81-S83 PolarHBondContact O-N 3.29Å; S83-L86 PolarHBondContact O-N 3.34Å; S83-V87 WeakPolarHBondContact O-CG2 3.36Å; S83-V87 PolarHBondContact O-N 3.48Å
84H92.6Very high92.2Very high116 Ų11669.6 Ų69.654%0.53740%0.4SS..Hα-helixtrans-64.9-42.1176.8-58.8121.6000111.9E81 L82 L86 V87 V88E81-H84 PolarHBondContact O-N 2.67Å; L82-H84 VanDerWaalsContact C-N 3.34Å; L82-H84 PolarHBondContact O-N 3.04Å; H84-L86 VanDerWaalsContact C-N 3.31Å; H84-L86 PolarHBondContact O-N 2.89Å; H84-V87 PolarHBondContact O-N 2.95Å; H84-V88 VanDerWaalsContact O-CG2 3.3Å; H84-V88 WeakPolarHBondContact O-CG2 3.15Å; H84-V88 PolarHBondContact O-N 3.09Å
85L94.2Very high92.1Very high2 Ų265.9 Ų65.91%0.0138%0.38CS..Hα-helixtrans-60.5-40.4176.9-73.5173.9000112.1L68 L71 I72 T75 E81 L82 V88 R89 F256L68-L85 HydrophobicContact CD2-CD2 4.2Å; L71-L85 HydrophobicContact CB-CD1 4.34Å; L71-L85 HydrophobicContact CB-CD2 4.34Å; L71-L85 HydrophobicContact CD1-CD2 4.34Å; I72-L85 HydrophobicContact CD1-CB 4.33Å; I72-L85 HydrophobicContact CG1-CB 3.73Å; I72-L85 HydrophobicContact CG1-CD1 4.35Å; T75-L85 HydrophobicContact CG2-CD1 4.25Å; T75-L85 WeakPolarHBondContact OG1-CD1 3.4Å; E81-L85 WeakPolarHBondContact O-CG 3.44Å; E81-L85 PolarHBondContact O-N 3.24Å; L82-L85 PolarHBondContact O-N 3.11Å; L85-V88 PolarHBondContact O-N 3.17Å; L85-R89 WeakPolarHBondContact O-CB 3.26Å; L85-R89 PolarHBondContact O-N 3.45Å; L85-F256 HydrophobicContact CD2-CE2 3.56Å; L85-F256 HydrophobicContact CD2-CZ 3.94Å; L85-F256 HydrophobicContact CG-CE2 4.19Å
86L93.4Very high92Very high63 Ų6365.6 Ų65.633%0.3338%0.378SS..Hα-helixtrans-65-41.5177.4-68.3171.5000112.1I72 L82 S83 H84 R89 S90I72-L86 HydrophobicContact CD1-CD2 3.97Å; I72-L86 HydrophobicContact CG1-CD2 4.47Å; I72-L86 HydrophobicContact CG2-CD2 4.26Å; L82-L86 HydrophobicContact CD1-CG 4.41Å; L82-L86 HydrophobicContact CG-CD1 4.34Å; L82-L86 WeakPolarHBondContact O-CG 3.32Å; L82-L86 PolarHBondContact O-N 3.19Å; S83-L86 PolarHBondContact O-N 3.34Å; H84-L86 VanDerWaalsContact C-N 3.31Å; H84-L86 PolarHBondContact O-N 2.89Å; L86-R89 PolarHBondContact O-N 3.36Å; L86-S90 WeakPolarHBondContact O-CB 3.31Å; L86-S90 PolarHBondContact O-N 3.21Å
87V93.7Very high91.9Very high104 Ų10465.9 Ų65.963%0.6338%0.376SS*.Hα-helixtrans-63-47.4175.1173.40000110.7S83 H84 R89 S90 A91S83-V87 WeakPolarHBondContact O-CG2 3.36Å; S83-V87 PolarHBondContact O-N 3.48Å; H84-V87 PolarHBondContact O-N 2.95Å; V87-R89 PolarHBondContact O-N 2.96Å; V87-S90 PolarHBondContact O-N 3.47Å; V87-A91 PolarHBondContact O-N 3.39Å
88V93.7Very high92Very high51 Ų5162.3 Ų62.331%0.30935%0.347SS..Hα-helixtrans-63.4-42.8178.8174.80000111L68 H84 L85 S90 A91 F92L68-V88 HydrophobicContact CD1-CG1 3.86Å; L68-V88 HydrophobicContact CD2-CG1 3.92Å; H84-V88 VanDerWaalsContact O-CG2 3.3Å; H84-V88 WeakPolarHBondContact O-CG2 3.15Å; H84-V88 PolarHBondContact O-N 3.09Å; L85-V88 PolarHBondContact O-N 3.17Å; V88-S90 PolarHBondContact O-N 3.1Å; V88-A91 PolarHBondContact O-N 3.38Å; V88-F92 HydrophobicContact CG1-CD2 3.73Å; V88-F92 HydrophobicContact CG1-CE2 3.76Å; V88-F92 WeakPolarHBondContact O-CD2 3.43Å; V88-F92 PolarHBondContact O-N 2.79Å
89R93.9Very high92Very high85 Ų8556.3 Ų56.332%0.32131%0.311SS..Hα-helixtrans-56.8-49.3173.6-179-164.562.2-175.53.6111.1L68 N69 I72 L85 L86 V87 A91 F92 T93L68-R89 HydrophobicContact CB-CB 4.27Å; L68-R89 HydrophobicContact CD1-CB 4.47Å; N69-R89 WeakPolarHBondContact OD1-CD 3.46Å; I72-R89 HydrophobicContact CD1-CB 3.96Å; I72-R89 HydrophobicContact CD1-CG 4.29Å; L85-R89 WeakPolarHBondContact O-CB 3.26Å; L85-R89 PolarHBondContact O-N 3.45Å; L86-R89 PolarHBondContact O-N 3.36Å; V87-R89 PolarHBondContact O-N 2.96Å; R89-A91 VanDerWaalsContact C-N 3.32Å; R89-A91 PolarHBondContact O-N 2.8Å; R89-F92 PolarHBondContact O-N 2.77Å; R89-T93 PolarHBondContact O-N 3.2Å; R89-T93 PolarHBondContact O-OG1 3.4Å; R89-T93 VanDerWaalsContact O-OG1 3.07Å
90S93.1Very high91.8Very high76 Ų7654.6 Ų54.653%0.53130%0.301SS..Hα-helixtrans-58.6-43.7178.6-179.90000111.9L86 V87 V88 F92 T93 F94L86-S90 WeakPolarHBondContact O-CB 3.31Å; L86-S90 PolarHBondContact O-N 3.21Å; V87-S90 PolarHBondContact O-N 3.47Å; V88-S90 PolarHBondContact O-N 3.1Å; S90-F92 PolarHBondContact O-N 2.74Å; S90-T93 PolarHBondContact O-N 3.25Å; S90-F94 PolarHBondContact O-N 3.34Å
91A92.6Very high91.7Very high50 Ų5055.3 Ų55.341%0.41329%0.291SS..Hα-helixtrans-61.7-43.4176.300000112.5V87 V88 R89 F94 I95V87-A91 PolarHBondContact O-N 3.39Å; V88-A91 PolarHBondContact O-N 3.38Å; R89-A91 VanDerWaalsContact C-N 3.32Å; R89-A91 PolarHBondContact O-N 2.8Å; A91-F94 PolarHBondContact O-N 3.3Å; A91-I95 WeakPolarHBondContact O-CD1 3.43Å; A91-I95 VanDerWaalsContact O-CG1 3.28Å; A91-I95 WeakPolarHBondContact O-CG1 3.41Å; A91-I95 PolarHBondContact O-N 2.74Å
92F92.6Very high91.6Very high35 Ų3554.5 Ų54.515%0.15429%0.286CS..Hα-helixtrans-67.6-39.1176-87.4-75.7000112.6L61 Y64 P65 L68 V88 R89 S90 F94 I95 I96L61-F92 HydrophobicContact CD1-CD1 4.46Å; L61-F92 HydrophobicContact CD1-CE1 4.28Å; Y64-F92 HydrophobicContact CD1-CZ 4.38Å; Y64-F92 HydrophobicContact CD2-CD1 4.34Å; Y64-F92 AromaticContact CD2-CE1 3.72Å; Y64-F92 HydrophobicContact CD2-CE1 3.72Å; Y64-F92 HydrophobicContact CD2-CZ 4.29Å; Y64-F92 HydrophobicContact CE2-CE1 4.48Å; Y64-F92 HydrophobicContact CG-CD1 4.24Å; Y64-F92 AromaticContact CG-CE1 3.76Å; Y64-F92 HydrophobicContact CG-CE1 3.76Å; Y64-F92 HydrophobicContact CG-CZ 4.04Å; P65-F92 HydrophobicContact CG-CB 4.15Å; L68-F92 HydrophobicContact CD1-CB 4.19Å; L68-F92 HydrophobicContact CD1-CD2 3.47Å; L68-F92 VanDerWaalsContact CD1-CD2 3.47Å; L68-F92 HydrophobicContact CD1-CE2 4.14Å; L68-F92 HydrophobicContact CD1-CG 4.08Å; V88-F92 HydrophobicContact CG1-CD2 3.73Å; V88-F92 HydrophobicContact CG1-CE2 3.76Å; V88-F92 WeakPolarHBondContact O-CD2 3.43Å; V88-F92 PolarHBondContact O-N 2.79Å; R89-F92 PolarHBondContact O-N 2.77Å; S90-F92 PolarHBondContact O-N 2.74Å; F92-F94 VanDerWaalsContact C-N 3.32Å; F92-F94 PolarHBondContact O-N 3Å; F92-I95 HydrophobicContact CD1-CD1 4.43Å; F92-I95 PolarHBondContact O-N 3.29Å; F92-I96 WeakPolarHBondContact O-CG1 3.44Å; F92-I96 PolarHBondContact O-N 3.5Å
93T90.7Very high91.4Very high52 Ų5253 Ų5332%0.31928%0.278SS..Hα-helixtrans-57.7-47.5173.4-59.30000110.6R89 S90 I95 I96 D97R89-T93 PolarHBondContact O-N 3.2Å; R89-T93 PolarHBondContact O-OG1 3.4Å; R89-T93 VanDerWaalsContact O-OG1 3.07Å; S90-T93 PolarHBondContact O-N 3.25Å; T93-I95 VanDerWaalsContact C-N 3.31Å; T93-I95 PolarHBondContact O-N 3.46Å; T93-I96 PolarHBondContact O-N 3.37Å; T93-I96 VanDerWaalsContact O-N 3.08Å; T93-D97 PolarHBondContact O-N 3.23Å
94F92.6Very high91.2Very high124 Ų12450 Ų5054%0.54426%0.257SS..Hα-helixtrans-58.9-40.4175.5176.7-107.8000112.9M1 S90 A91 F92 I96 D97 E98M1-F94 HydrophobicContact CE-CD1 3.39Å; M1-F94 HydrophobicContact CE-CE1 3.21Å; M1-F94 HydrophobicContact CE-CZ 4.22Å; M1-F94 HydrophobicContact CG-CE1 4.47Å; S90-F94 PolarHBondContact O-N 3.34Å; A91-F94 PolarHBondContact O-N 3.3Å; F92-F94 VanDerWaalsContact C-N 3.32Å; F92-F94 PolarHBondContact O-N 3Å; F94-I96 VanDerWaalsContact C-N 3.34Å; F94-I96 PolarHBondContact O-N 2.86Å; F94-D97 PolarHBondContact O-N 3.36Å; F94-E98 WeakPolarHBondContact O-CB 3.4Å; F94-E98 PolarHBondContact O-N 2.9Å
95I92Very high91.1Very high15 Ų1547.7 Ų47.78%0.07725%0.247CC..Hα-helixtrans-63-40.3175.1-68.7161.4000111.5M1 I5 L9 L61 A91 F92 T93 L99M1-I95 HydrophobicContact CE-CB 4.37Å; M1-I95 HydrophobicContact CE-CG1 3.67Å; M1-I95 HydrophobicContact SD-CG1 4.33Å; I5-I95 HydrophobicContact CD1-CD1 3.9Å; I5-I95 HydrophobicContact CG2-CD1 4.21Å; I5-I95 HydrophobicContact CG2-CG1 4.24Å; I5-I95 HydrophobicContact CG2-CG2 3.98Å; L9-I95 HydrophobicContact CD2-CG2 4.05Å; L61-I95 HydrophobicContact CD1-CG2 4.14Å; L61-I95 HydrophobicContact CD2-CG2 4.16Å; L61-I95 HydrophobicContact CG-CG2 4.47Å; A91-I95 WeakPolarHBondContact O-CD1 3.43Å; A91-I95 VanDerWaalsContact O-CG1 3.28Å; A91-I95 WeakPolarHBondContact O-CG1 3.41Å; A91-I95 PolarHBondContact O-N 2.74Å; F92-I95 HydrophobicContact CD1-CD1 4.43Å; F92-I95 PolarHBondContact O-N 3.29Å; T93-I95 VanDerWaalsContact C-N 3.31Å; T93-I95 PolarHBondContact O-N 3.46Å; I95-L99 WeakPolarHBondContact O-CB 3.43Å; I95-L99 PolarHBondContact O-N 3.28Å
96I90Very high90.8Very high5 Ų549 Ų493%0.02626%0.258CS..Hα-helixtrans-69.8-38.8177.5-65.2-51.3000111.8L61 T62 P65 F92 T93 F94 E98 L99 N100 I226L61-I96 HydrophobicContact CD2-CD1 4.46Å; L61-I96 HydrophobicContact CG-CD1 3.85Å; T62-I96 HydrophobicContact CG2-CD1 4.1Å; P65-I96 HydrophobicContact CG-CG1 3.93Å; F92-I96 WeakPolarHBondContact O-CG1 3.44Å; F92-I96 PolarHBondContact O-N 3.5Å; T93-I96 PolarHBondContact O-N 3.37Å; T93-I96 VanDerWaalsContact O-N 3.08Å; F94-I96 VanDerWaalsContact C-N 3.34Å; F94-I96 PolarHBondContact O-N 2.86Å; I96-E98 VanDerWaalsContact C-N 3.33Å; I96-E98 PolarHBondContact O-N 3.02Å; I96-L99 HydrophobicContact CD1-CD2 4.21Å; I96-L99 WeakPolarHBondContact O-CB 3.32Å; I96-L99 PolarHBondContact O-N 3.29Å; I96-N100 WeakPolarHBondContact O-CB 3.36Å; I96-N100 PolarHBondContact O-N 3.18Å; I96-N100 PolarHBondContact O-ND2 3.3Å; I96-I226 HydrophobicContact CG2-CG2 3.86Å
97D89.4Confident90.5Very high78 Ų7846.2 Ų46.242%0.41724%0.243SC..Hα-helixtrans-63.2-42.3175.5-67.6-24.8000111T93 F94 N100 R101T93-D97 PolarHBondContact O-N 3.23Å; F94-D97 PolarHBondContact O-N 3.36Å; D97-N100 PolarHBondContact O-N 3.04Å; D97-R101 WeakPolarHBondContact O-CB 3.42Å; D97-R101 PolarHBondContact O-N 3.36Å
98E90.5Very high90.3Very high34 Ų3443 Ų4316%0.15922%0.219CC..Hα-helixtrans-66.4-40.6174.7177.961.4-17300112.3M1 L9 F94 I96 N100 R101 R102M1-E98 HydrophobicContact CE-CB 4.25Å; M1-E98 HydrophobicContact CE-CG 4.35Å; L9-E98 HydrophobicContact CD1-CG 3.93Å; F94-E98 WeakPolarHBondContact O-CB 3.4Å; F94-E98 PolarHBondContact O-N 2.9Å; I96-E98 VanDerWaalsContact C-N 3.33Å; I96-E98 PolarHBondContact O-N 3.02Å; E98-N100 VanDerWaalsContact C-N 3.34Å; E98-N100 PolarHBondContact O-N 3.21Å; E98-R101 PolarHBondContact O-N 3.49Å; E98-R101 IonicContact OE1-CZ 3.73Å; E98-R101 IonicContact OE1-NE 2.8Å; E98-R101 IonicContact OE1-NH2 3.31Å; E98-R101 PolarHBondContact OE1-NH2 3.22Å; E98-R101 IonicContact OE2-CZ 3.75Å; E98-R101 IonicContact OE2-NE 2.9Å; E98-R101 PolarHBondContact OE2-NE 3.4Å; E98-R101 IonicContact OE2-NH2 2.64Å; E98-R101 PolarHBondContact OE2-NH2 2.92Å; E98-R102 WeakPolarHBondContact O-CG 3.45Å; E98-R102 PolarHBondContact O-N 2.89Å; E98-R102 IonicContact OE1-CZ 3.74Å; E98-R102 VanDerWaalsContact OE1-CZ 3.31Å; E98-R102 IonicContact OE1-NE 3.95Å; E98-R102 PolarHBondContact OE1-NE 3.28Å; E98-R102 IonicContact OE1-NH2 2.78Å; E98-R102 PolarHBondContact OE1-NH2 2.92Å
99L90Very high90.1Very high0 Ų043.8 Ų43.80%022%0.222CC..Hα-helixtrans-55.8-51.8172172.261.8000110.6L9 K58 L61 T62 I95 I96 R101 R102 V103L9-L99 HydrophobicContact CD2-CB 3.53Å; L9-L99 HydrophobicContact CD2-CD1 4.03Å; L9-L99 HydrophobicContact CD2-CG 4.31Å; K58-L99 HydrophobicContact CG-CD2 4.49Å; L61-L99 HydrophobicContact CD2-CD2 4.18Å; T62-L99 HydrophobicContact CG2-CD2 4.19Å; I95-L99 WeakPolarHBondContact O-CB 3.43Å; I95-L99 PolarHBondContact O-N 3.28Å; I96-L99 HydrophobicContact CD1-CD2 4.21Å; I96-L99 WeakPolarHBondContact O-CB 3.32Å; I96-L99 PolarHBondContact O-N 3.29Å; L99-R101 VanDerWaalsContact C-N 3.33Å; L99-R101 PolarHBondContact O-N 3.12Å; L99-R102 PolarHBondContact O-N 2.77Å; L99-V103 HydrophobicContact CD1-CG2 3.88Å; L99-V103 HydrophobicContact CG-CG2 4.34Å; L99-V103 VanDerWaalsContact O-CB 3.32Å; L99-V103 WeakPolarHBondContact O-CB 3.21Å; L99-V103 VanDerWaalsContact O-CG2 3.26Å; L99-V103 WeakPolarHBondContact O-CG2 3.17Å; L99-V103 PolarHBondContact O-N 3.06Å
100N87.1Confident89.7Confident6 Ų640.2 Ų40.23%0.03221%0.209CC..Hα-helixtrans-59.2-47.8-179.5-73.3-19.5000110I96 D97 E98 R102 V103 G104 L223 I226I96-N100 WeakPolarHBondContact O-CB 3.36Å; I96-N100 PolarHBondContact O-N 3.18Å; I96-N100 PolarHBondContact O-ND2 3.3Å; D97-N100 PolarHBondContact O-N 3.04Å; E98-N100 VanDerWaalsContact C-N 3.34Å; E98-N100 PolarHBondContact O-N 3.21Å; N100-R102 PolarHBondContact O-N 3.45Å; N100-V103 PolarHBondContact O-N 3.24Å; N100-G104 PolarHBondContact O-N 3.34Å; N100-L223 HydrophobicContact CB-CD1 3.98Å; N100-L223 HydrophobicContact CB-CD2 4.1Å; N100-L223 HydrophobicContact CB-CG 3.9Å; N100-L223 WeakPolarHBondContact O-CD1 3.47Å; N100-I226 WeakPolarHBondContact OD1-CD1 3.35Å
101R87.7Confident89.4Confident112 Ų11237.5 Ų37.542%0.42319%0.187SC..Hα-helixtrans-54-49.7176.8-168-166.765.268.4-0112.2D97 E98 L99 G104 E105D97-R101 WeakPolarHBondContact O-CB 3.42Å; D97-R101 PolarHBondContact O-N 3.36Å; E98-R101 PolarHBondContact O-N 3.49Å; E98-R101 IonicContact OE1-CZ 3.73Å; E98-R101 IonicContact OE1-NE 2.8Å; E98-R101 IonicContact OE1-NH2 3.31Å; E98-R101 PolarHBondContact OE1-NH2 3.22Å; E98-R101 IonicContact OE2-CZ 3.75Å; E98-R101 IonicContact OE2-NE 2.9Å; E98-R101 PolarHBondContact OE2-NE 3.4Å; E98-R101 IonicContact OE2-NH2 2.64Å; E98-R101 PolarHBondContact OE2-NH2 2.92Å; L99-R101 VanDerWaalsContact C-N 3.33Å; L99-R101 PolarHBondContact O-N 3.12Å; R101-G104 PolarHBondContact O-N 3.34Å; R101-E105 IonicContact NH1-OE2 3.87Å; R101-E105 PolarHBondContact NH1-OE2 2.67Å; R101-E105 WeakPolarHBondContact O-CB 3.33Å; R101-E105 PolarHBondContact O-N 2.87Å
102R90.4Very high89.1Confident39 Ų3936.2 Ų36.215%0.14717%0.174CC..Hα-helixtrans-65.8-41.8179.6-69.2-173.8-166.7-172.17112.9D10 A13 E98 L99 N100 G104 E105 A106D10-R102 IonicContact OD1-CZ 2.89Å; D10-R102 IonicContact OD1-NH1 2.61Å; D10-R102 PolarHBondContact OD1-NH1 2.75Å; D10-R102 IonicContact OD2-NH1 3.19Å; A13-R102 HydrophobicContact CB-CB 4.07Å; E98-R102 WeakPolarHBondContact O-CG 3.45Å; E98-R102 PolarHBondContact O-N 2.89Å; E98-R102 IonicContact OE1-CZ 3.74Å; E98-R102 VanDerWaalsContact OE1-CZ 3.31Å; E98-R102 IonicContact OE1-NE 3.95Å; E98-R102 PolarHBondContact OE1-NE 3.28Å; E98-R102 IonicContact OE1-NH2 2.78Å; E98-R102 PolarHBondContact OE1-NH2 2.92Å; L99-R102 PolarHBondContact O-N 2.77Å; N100-R102 PolarHBondContact O-N 3.45Å; R102-G104 VanDerWaalsContact C-N 3.35Å; R102-E105 PolarHBondContact O-N 3Å; R102-A106 WeakPolarHBondContact O-CB 2.9Å; R102-A106 PolarHBondContact O-N 2.96Å
103V88Confident88.7Confident2 Ų241.4 Ų41.41%0.01220%0.198CC..Hα-helixtrans-60-47.1175.2158.30000110.7Y16 L99 N100 E105 A106 M107Y16-V103 HydrophobicContact CD1-CG1 4.42Å; Y16-V103 HydrophobicContact CD2-CB 4.49Å; Y16-V103 HydrophobicContact CD2-CG1 3.94Å; Y16-V103 HydrophobicContact CD2-CG2 4.09Å; Y16-V103 HydrophobicContact CE1-CG1 3.76Å; Y16-V103 HydrophobicContact CE2-CB 3.98Å; Y16-V103 HydrophobicContact CE2-CG1 3.32Å; Y16-V103 HydrophobicContact CE2-CG2 3.48Å; Y16-V103 VanDerWaalsContact CE2-CG2 3.48Å; Y16-V103 HydrophobicContact CG-CG1 4.47Å; Y16-V103 WeakPolarHBondContact OH-CG1 3.14Å; L99-V103 HydrophobicContact CD1-CG2 3.88Å; L99-V103 HydrophobicContact CG-CG2 4.34Å; L99-V103 VanDerWaalsContact O-CB 3.32Å; L99-V103 WeakPolarHBondContact O-CB 3.21Å; L99-V103 VanDerWaalsContact O-CG2 3.26Å; L99-V103 WeakPolarHBondContact O-CG2 3.17Å; L99-V103 PolarHBondContact O-N 3.06Å; N100-V103 PolarHBondContact O-N 3.24Å; V103-E105 VanDerWaalsContact C-N 3.31Å; V103-E105 PolarHBondContact O-N 2.94Å; V103-A106 PolarHBondContact O-N 2.98Å; V103-M107 HydrophobicContact CG1-CE 3.7Å; V103-M107 HydrophobicContact CG1-SD 4.44Å; V103-M107 WeakPolarHBondContact O-CB 3.4Å; V103-M107 WeakPolarHBondContact O-CG 3.22Å; V103-M107 PolarHBondContact O-N 3.47Å
104G87.8Confident88.4Confident0 Ų039.2 Ų39.20%019%0.185CC..Hα-helixtrans-63.4-37.3178.100000112.8N100 R101 R102 R108 S134 L135N100-G104 PolarHBondContact O-N 3.34Å; R101-G104 PolarHBondContact O-N 3.34Å; R102-G104 VanDerWaalsContact C-N 3.35Å; G104-R108 WeakPolarHBondContact O-CB 3.41Å; G104-R108 PolarHBondContact O-N 3.49Å; G104-S134 WeakPolarHBondContact O-CA 3.48Å; G104-L135 PolarHBondContact O-N 3.45Å
105E89.5Confident88.1Confident69 Ų6933.6 Ų33.632%0.32216%0.16SC..Hα-helixtrans-67.6-48.3175.1-173.7174.7-176.700112.2R101 R102 V103 M107 R108 N109R101-E105 IonicContact NH1-OE2 3.87Å; R101-E105 PolarHBondContact NH1-OE2 2.67Å; R101-E105 WeakPolarHBondContact O-CB 3.33Å; R101-E105 PolarHBondContact O-N 2.87Å; R102-E105 PolarHBondContact O-N 3Å; V103-E105 VanDerWaalsContact C-N 3.31Å; V103-E105 PolarHBondContact O-N 2.94Å; E105-M107 VanDerWaalsContact C-N 3.35Å; E105-M107 PolarHBondContact O-N 2.86Å; E105-R108 WeakPolarHBondContact O-CB 3.5Å; E105-R108 PolarHBondContact O-N 3.1Å; E105-R108 IonicContact OE1-NH2 3.24Å; E105-N109 VanDerWaalsContact O-CG 3.3Å; E105-N109 PolarHBondContact O-N 3.33Å; E105-N109 PolarHBondContact O-OD1 3.25Å
106A88.6Confident87.6Confident30 Ų3033.8 Ų33.825%0.24817%0.167CC..Hα-helixtrans-60.3-44.8176.700000111.3A13 R102 V103 R108 N109 L110A13-A106 HydrophobicContact CB-CB 4.33Å; R102-A106 WeakPolarHBondContact O-CB 2.9Å; R102-A106 PolarHBondContact O-N 2.96Å; V103-A106 PolarHBondContact O-N 2.98Å; A106-R108 PolarHBondContact O-N 3.38Å; A106-N109 PolarHBondContact O-N 2.82Å; A106-L110 WeakPolarHBondContact O-CB 3.38Å; A106-L110 PolarHBondContact O-N 3.43Å
107M87.4Confident87.1Confident4 Ų435.1 Ų35.12%0.0217%0.172CC..Hα-helixtrans-61.6-43.9175.2-75.9-169.6-61.700112.1Y16 V103 E105 N109 L110 Y111 L135 W221Y16-M107 HydrophobicContact CD1-CG 3.58Å; Y16-M107 HydrophobicContact CD1-SD 3.4Å; Y16-M107 WeakPolarHBondContact CD1-SD 3.26Å; Y16-M107 HydrophobicContact CE1-CE 4.29Å; Y16-M107 HydrophobicContact CE1-CG 4.18Å; Y16-M107 HydrophobicContact CE1-SD 3.5Å; Y16-M107 WeakPolarHBondContact CE1-SD 3.27Å; Y16-M107 HydrophobicContact CG-CG 3.92Å; Y16-M107 HydrophobicContact CG-SD 4.3Å; V103-M107 HydrophobicContact CG1-CE 3.7Å; V103-M107 HydrophobicContact CG1-SD 4.44Å; V103-M107 WeakPolarHBondContact O-CB 3.4Å; V103-M107 WeakPolarHBondContact O-CG 3.22Å; V103-M107 PolarHBondContact O-N 3.47Å; E105-M107 VanDerWaalsContact C-N 3.35Å; E105-M107 PolarHBondContact O-N 2.86Å; M107-N109 VanDerWaalsContact C-N 3.31Å; M107-N109 PolarHBondContact O-N 2.9Å; M107-L110 PolarHBondContact O-N 2.83Å; M107-Y111 HydrophobicContact CB-CD2 4.37Å; M107-Y111 HydrophobicContact CB-CE2 4.42Å; M107-Y111 WeakPolarHBondContact O-CD2 3.49Å; M107-Y111 PolarHBondContact O-N 2.69Å; M107-L135 HydrophobicContact CB-CB 4.15Å; M107-L135 HydrophobicContact CB-CD2 4.18Å; M107-W221 HydrophobicContact SD-CB 4.31Å; M107-W221 HydrophobicContact SD-CG 4.48Å
108R89Confident86.4Confident35 Ų3537.5 Ų37.513%0.13218%0.181CC..Hα-helixtrans-55.8-49175.7175.9-155.166.1-163.9-6.2110.6G104 E105 A106 Y111 L112 Q132 K133 L135 F153G104-R108 WeakPolarHBondContact O-CB 3.41Å; G104-R108 PolarHBondContact O-N 3.49Å; E105-R108 WeakPolarHBondContact O-CB 3.5Å; E105-R108 PolarHBondContact O-N 3.1Å; E105-R108 IonicContact OE1-NH2 3.24Å; A106-R108 PolarHBondContact O-N 3.38Å; R108-Y111 PolarHBondContact O-N 3.35Å; R108-L112 HydrophobicContact CG-CD1 3.87Å; R108-L112 HydrophobicContact CG-CG 4.37Å; R108-L112 WeakPolarHBondContact O-CB 3.46Å; R108-L112 VanDerWaalsContact O-CG 3.31Å; R108-L112 WeakPolarHBondContact O-CG 3.46Å; R108-L112 PolarHBondContact O-N 3.41Å; R108-Q132 WeakPolarHBondContact CD-O 3.27Å; R108-Q132 PolarHBondContact NH1-O 2.87Å; R108-K133 PolarHBondContact NH1-O 3.44Å; R108-L135 HydrophobicContact CB-CB 4.39Å; R108-F153 HydrophobicContact CB-CE1 4.47Å; R108-F153 HydrophobicContact CG-CE1 4.04Å
109N89.1Confident85.6Confident68 Ų6838.2 Ų38.236%0.36420%0.197SC..Hα-helixtrans-61.3-48.3-179.2-64.3-12.5000111.2E105 A106 M107 Y111 L112 E113E105-N109 VanDerWaalsContact O-CG 3.3Å; E105-N109 PolarHBondContact O-N 3.33Å; E105-N109 PolarHBondContact O-OD1 3.25Å; A106-N109 PolarHBondContact O-N 2.82Å; M107-N109 VanDerWaalsContact C-N 3.31Å; M107-N109 PolarHBondContact O-N 2.9Å; N109-Y111 PolarHBondContact O-N 3.27Å; N109-L112 WeakPolarHBondContact O-CB 3.28Å; N109-L112 PolarHBondContact O-N 3.36Å; N109-E113 PolarHBondContact O-N 3.06Å
110L86Confident84.7Confident10 Ų1045.2 Ų45.25%0.05223%0.234CC..Hα-helixtrans-55.1-49.7177.1-179.965.8000111.7E17 K20 A106 M107 E113 C114E17-L110 HydrophobicContact CB-CD1 4.46Å; E17-L110 HydrophobicContact CB-CD2 4.47Å; E17-L110 HydrophobicContact CG-CD1 4.15Å; K20-L110 HydrophobicContact CB-CD2 4.34Å; K20-L110 HydrophobicContact CD-CD1 4.14Å; K20-L110 HydrophobicContact CD-CD2 4.08Å; K20-L110 HydrophobicContact CD-CG 4.26Å; A106-L110 WeakPolarHBondContact O-CB 3.38Å; A106-L110 PolarHBondContact O-N 3.43Å; M107-L110 PolarHBondContact O-N 2.83Å; L110-E113 PolarHBondContact O-N 3.11Å; L110-C114 PolarHBondContact O-SG 3.1Å
111Y86Confident83.9Confident19 Ų1949.6 Ų49.68%0.07526%0.257CS..Hα-helixtrans-77.4-25.4-176.6-71-66.4000113.6M107 R108 N109 E113 C114 I115 L135 K138 F151 F294M107-Y111 HydrophobicContact CB-CD2 4.37Å; M107-Y111 HydrophobicContact CB-CE2 4.42Å; M107-Y111 WeakPolarHBondContact O-CD2 3.49Å; M107-Y111 PolarHBondContact O-N 2.69Å; R108-Y111 PolarHBondContact O-N 3.35Å; N109-Y111 PolarHBondContact O-N 3.27Å; Y111-E113 PolarHBondContact O-N 3.23Å; Y111-C114 PolarHBondContact O-N 3.22Å; Y111-I115 WeakPolarHBondContact O-CD1 3.23Å; Y111-I115 VanDerWaalsContact O-CG1 3.25Å; Y111-I115 WeakPolarHBondContact O-CG1 3.44Å; Y111-I115 PolarHBondContact O-N 2.94Å; Y111-L135 HydrophobicContact CD2-CD2 3.37Å; Y111-L135 HydrophobicContact CE2-CD2 3.75Å; Y111-L135 HydrophobicContact CG-CD2 4.3Å; Y111-K138 HydrophobicContact CD1-CD 4.49Å; Y111-K138 HydrophobicContact CE1-CD 3.65Å; Y111-K138 HydrophobicContact CE2-CD 4.13Å; Y111-K138 VanDerWaalsContact CZ-CD 3.43Å; Y111-K138 VanDerWaalsContact OH-CD 3.25Å; Y111-K138 WeakPolarHBondContact OH-CD 3.36Å; Y111-F151 AromaticContact CD1-CE1 3.52Å; Y111-F151 HydrophobicContact CD1-CE1 3.52Å; Y111-F151 HydrophobicContact CD1-CZ 4.05Å; Y111-F151 HydrophobicContact CD2-CE1 4.26Å; Y111-F151 HydrophobicContact CE1-CE1 4.02Å; Y111-F151 HydrophobicContact CG-CD1 4.3Å; Y111-F151 AromaticContact CG-CE1 3.66Å; Y111-F151 HydrophobicContact CG-CE1 3.66Å; Y111-F151 HydrophobicContact CG-CZ 4.5Å; Y111-F294 HydrophobicContact CD1-CE2 4.45Å
112L86.8Confident83.3Confident24 Ų2444.9 Ų44.913%0.12624%0.24CC..Hα-helixtrans-58.9-34.5170.3-87.7170000112.2R108 N109 C114 F117 V129R108-L112 HydrophobicContact CG-CD1 3.87Å; R108-L112 HydrophobicContact CG-CG 4.37Å; R108-L112 WeakPolarHBondContact O-CB 3.46Å; R108-L112 VanDerWaalsContact O-CG 3.31Å; R108-L112 WeakPolarHBondContact O-CG 3.46Å; R108-L112 PolarHBondContact O-N 3.41Å; N109-L112 WeakPolarHBondContact O-CB 3.28Å; N109-L112 PolarHBondContact O-N 3.36Å; L112-C114 VanDerWaalsContact C-N 3.32Å; L112-F117 HydrophobicContact CD2-CE2 4.27Å; L112-F117 HydrophobicContact CD2-CZ 4.18Å; L112-V129 HydrophobicContact CD2-CB 3.91Å; L112-V129 HydrophobicContact CD2-CG1 3.49Å; L112-V129 VanDerWaalsContact CD2-CG1 3.49Å; L112-V129 HydrophobicContact CG-CG1 4.14Å
113E84.8Confident82.8Confident143 Ų14347.2 Ų47.267%0.66826%0.255SS*.Hα-helixtrans-74.4-25175.3-65.6175-177.300112.7N109 L110 Y111N109-E113 PolarHBondContact O-N 3.06Å; L110-E113 PolarHBondContact O-N 3.11Å; Y111-E113 PolarHBondContact O-N 3.23Å
114C84.4Confident82.5Confident6 Ų652.6 Ų52.64%0.04128%0.28CS..Hα-helixtrans-89.8-22.5-176.4-55.60000112.8K20 L110 Y111 L112 E292 R293 F294K20-C114 PolarHBondContact NZ-SG 2.63Å; L110-C114 PolarHBondContact O-SG 3.1Å; Y111-C114 PolarHBondContact O-N 3.22Å; L112-C114 VanDerWaalsContact C-N 3.32Å; C114-E292 WeakPolarHBondContact CB-O 3.03Å; C114-R293 CarbonylContact O-C 3.58Å; C114-R293 VanDerWaalsContact O-CA 3.29Å; C114-R293 WeakPolarHBondContact O-CA 3.45Å; C114-F294 HydrophobicContact CB-CD2 4.03Å; C114-F294 HydrophobicContact CB-CE2 4.29Å; C114-F294 PolarHBondContact O-N 3.08Å
115I86.1Confident82.4Confident6 Ų653.4 Ų53.43%0.03128%0.283CS..EExtended strand (participates in β ladder)trans-84.5118.9177.3-63.6160.3000108.3Y111 F117 F151 L158 F294 I296Y111-I115 WeakPolarHBondContact O-CD1 3.23Å; Y111-I115 VanDerWaalsContact O-CG1 3.25Å; Y111-I115 WeakPolarHBondContact O-CG1 3.44Å; Y111-I115 PolarHBondContact O-N 2.94Å; I115-F117 HydrophobicContact CB-CE2 3.87Å; I115-F117 HydrophobicContact CB-CZ 4.04Å; I115-F117 HydrophobicContact CG2-CD1 4.47Å; I115-F117 HydrophobicContact CG2-CD2 4.27Å; I115-F117 HydrophobicContact CG2-CE1 3.99Å; I115-F117 HydrophobicContact CG2-CE2 3.73Å; I115-F117 HydrophobicContact CG2-CZ 3.58Å; I115-F117 WeakPolarHBondContact O-CD2 3.44Å; I115-F117 WeakPolarHBondContact O-CE2 3.4Å; I115-F117 PolarHBondContact O-N 3.25Å; I115-F151 HydrophobicContact CD1-CD2 4.15Å; I115-F151 HydrophobicContact CD1-CE2 4.15Å; I115-F151 HydrophobicContact CD1-CG 4.48Å; I115-F151 HydrophobicContact CG1-CE2 4.21Å; I115-L158 HydrophobicContact CD1-CD1 3.96Å; I115-F294 HydrophobicContact CG1-CB 4.16Å; I115-I296 HydrophobicContact CG2-CD1 4.02Å; I115-I296 HydrophobicContact CG2-CG1 3.84Å
116G81.4Confident82.2Confident20 Ų2054.4 Ų54.421%0.20629%0.286CS..EExtended strand (participates in β ladder)trans-79.5117.4175.600000111F294G116-F294 PolarHBondContact N-O 2.86Å
117F79.1Confident82.1Confident32 Ų3257.5 Ų57.514%0.1430%0.299CS..  trans-104.7106173.4-57.5-89.7000109.2L112 I115 E122 K126 I296L112-F117 HydrophobicContact CD2-CE2 4.27Å; L112-F117 HydrophobicContact CD2-CZ 4.18Å; I115-F117 HydrophobicContact CB-CE2 3.87Å; I115-F117 HydrophobicContact CB-CZ 4.04Å; I115-F117 HydrophobicContact CG2-CD1 4.47Å; I115-F117 HydrophobicContact CG2-CD2 4.27Å; I115-F117 HydrophobicContact CG2-CE1 3.99Å; I115-F117 HydrophobicContact CG2-CE2 3.73Å; I115-F117 HydrophobicContact CG2-CZ 3.58Å; I115-F117 WeakPolarHBondContact O-CD2 3.44Å; I115-F117 WeakPolarHBondContact O-CE2 3.4Å; I115-F117 PolarHBondContact O-N 3.25Å; F117-E122 WeakPolarHBondContact CA-OE2 3.42Å; F117-E122 HydrophobicContact CB-CB 4.13Å; F117-E122 HydrophobicContact CD1-CB 4.48Å; F117-E122 VanDerWaalsContact CD1-O 3.24Å; F117-E122 WeakPolarHBondContact CD1-O 3.25Å; F117-K126 HydrophobicContact CB-CB 4.36Å; F117-K126 HydrophobicContact CD1-CB 3.69Å; F117-K126 HydrophobicContact CD1-CG 4.47Å; F117-K126 HydrophobicContact CD2-CB 3.95Å; F117-K126 HydrophobicContact CD2-CD 3.93Å; F117-K126 HydrophobicContact CD2-CG 3.87Å; F117-K126 VanDerWaalsContact CE1-CA 3.48Å; F117-K126 HydrophobicContact CE1-CB 3.81Å; F117-K126 HydrophobicContact CE1-CG 4.42Å; F117-K126 HydrophobicContact CE2-CB 4.1Å; F117-K126 HydrophobicContact CE2-CD 4.32Å; F117-K126 HydrophobicContact CE2-CG 3.85Å; F117-K126 HydrophobicContact CG-CB 3.75Å; F117-K126 HydrophobicContact CG-CD 4.32Å; F117-K126 HydrophobicContact CG-CG 4.19Å; F117-K126 HydrophobicContact CZ-CB 4.02Å; F117-K126 HydrophobicContact CZ-CG 4.13Å; F117-I296 HydrophobicContact CD1-CD1 3.57Å; F117-I296 HydrophobicContact CE1-CD1 3.51Å; F117-I296 HydrophobicContact CZ-CD1 4.48Å
118H74.6Confident82Confident129 Ų12960 Ų6060%0.59731%0.311SS*.  trans-112.6121.7-178.1-59.387000111E122H118-E122 PolarHBondContact N-OE2 2.95Å; H118-E122 WeakPolarHBondContact O-CB 3.12Å; H118-E122 VanDerWaalsContact O-CG 3.32Å; H118-E122 WeakPolarHBondContact O-CG 3.45Å
119G73.4Confident81.9Confident48 Ų4858.3 Ų58.350%0.49531%0.305SS..SBendtrans90.2167.6177.100000114.5L121 E122 L123G119-L121 PolarHBondContact O-N 3.18Å; G119-E122 PolarHBondContact O-N 3.34Å; G119-L123 PolarHBondContact O-N 3.21Å; G119-L123 VanDerWaalsContact O-N 3.16Å
120N71.7Confident81.8Confident148 Ų14857.7 Ų57.779%0.79131%0.305SS*.Hα-helixtrans-65.3-36.4-166.6-64-10000113.7L123N120-L123 PolarHBondContact O-N 2.95Å
121L71.1Confident81.9Confident97 Ų9764.5 Ų64.551%0.50834%0.336SS..Hα-helixtrans-70.8-35.7178.3-17265.4000111.7G119 L123 Q124 Y125G119-L121 PolarHBondContact O-N 3.18Å; L121-L123 VanDerWaalsContact C-N 3.32Å; L121-L123 PolarHBondContact O-N 3.32Å; L121-Q124 WeakPolarHBondContact O-CB 3.11Å; L121-Q124 PolarHBondContact O-N 3.5Å; L121-Y125 HydrophobicContact CD1-CE1 4.41Å; L121-Y125 HydrophobicContact CD2-CE2 4.49Å; L121-Y125 VanDerWaalsContact CD2-OH 3.25Å; L121-Y125 WeakPolarHBondContact CD2-OH 3.25Å; L121-Y125 HydrophobicContact CG-CE1 4.24Å; L121-Y125 HydrophobicContact CG-CE2 4.13Å; L121-Y125 WeakPolarHBondContact CG-OH 3.48Å; L121-Y125 PolarHBondContact O-N 3.02Å
122E74.8Confident82Confident14 Ų1464 Ų647%0.06534%0.335CS..Hα-helixtrans-72.5-26.6178.2-63.8-173.1-164.800112F117 H118 G119 Q124 Y125 K126 Y177F117-E122 WeakPolarHBondContact CA-OE2 3.42Å; F117-E122 HydrophobicContact CB-CB 4.13Å; F117-E122 HydrophobicContact CD1-CB 4.48Å; F117-E122 VanDerWaalsContact CD1-O 3.24Å; F117-E122 WeakPolarHBondContact CD1-O 3.25Å; H118-E122 PolarHBondContact N-OE2 2.95Å; H118-E122 WeakPolarHBondContact O-CB 3.12Å; H118-E122 VanDerWaalsContact O-CG 3.32Å; H118-E122 WeakPolarHBondContact O-CG 3.45Å; G119-E122 PolarHBondContact O-N 3.34Å; E122-Q124 VanDerWaalsContact C-N 3.32Å; E122-Q124 PolarHBondContact O-N 2.61Å; E122-Y125 HydrophobicContact CB-CD2 4.33Å; E122-Y125 HydrophobicContact CG-CD2 4.17Å; E122-Y125 HydrophobicContact CG-CE2 4.37Å; E122-Y125 WeakPolarHBondContact O-CB 3.34Å; E122-Y125 PolarHBondContact O-N 3.42Å; E122-Y125 VanDerWaalsContact O-N 3.15Å; E122-K126 PolarHBondContact O-N 3.11Å; E122-Y177 PolarHBondContact OE1-OH 3.28Å
123L78.7Confident81.9Confident88 Ų8871.1 Ų71.146%0.46137%0.365SS..Hα-helixtrans-62-39169.9-69.9173000112G119 N120 L121 Y125 K126 D127G119-L123 PolarHBondContact O-N 3.21Å; G119-L123 VanDerWaalsContact O-N 3.16Å; N120-L123 PolarHBondContact O-N 2.95Å; L121-L123 VanDerWaalsContact C-N 3.32Å; L121-L123 PolarHBondContact O-N 3.32Å; L123-Y125 VanDerWaalsContact C-N 3.27Å; L123-Y125 PolarHBondContact O-N 2.89Å; L123-K126 WeakPolarHBondContact O-CB 3.49Å; L123-K126 PolarHBondContact O-N 2.85Å; L123-D127 PolarHBondContact O-N 3.46Å
124Q83.1Confident82Confident114 Ų11465 Ų6553%0.53334%0.338SS..Hα-helixtrans-62.4-37.9173.4-174.8178.648.400111.4L121 E122 D127 M128L121-Q124 WeakPolarHBondContact O-CB 3.11Å; L121-Q124 PolarHBondContact O-N 3.5Å; E122-Q124 VanDerWaalsContact C-N 3.32Å; E122-Q124 PolarHBondContact O-N 2.61Å; Q124-D127 PolarHBondContact O-N 3.42Å; Q124-M128 WeakPolarHBondContact O-CG 3.33Å; Q124-M128 PolarHBondContact O-N 3.23Å
125Y84.5Confident82.2Confident18 Ų1864.8 Ų64.87%0.07134%0.336CS..Hα-helixtrans-66.2-39.8174.9-54.7-26.6000111.7L121 E122 L123 D127 M128 V129 I296 P299 P300L121-Y125 HydrophobicContact CD1-CE1 4.41Å; L121-Y125 HydrophobicContact CD2-CE2 4.49Å; L121-Y125 VanDerWaalsContact CD2-OH 3.25Å; L121-Y125 WeakPolarHBondContact CD2-OH 3.25Å; L121-Y125 HydrophobicContact CG-CE1 4.24Å; L121-Y125 HydrophobicContact CG-CE2 4.13Å; L121-Y125 WeakPolarHBondContact CG-OH 3.48Å; L121-Y125 PolarHBondContact O-N 3.02Å; E122-Y125 HydrophobicContact CB-CD2 4.33Å; E122-Y125 HydrophobicContact CG-CD2 4.17Å; E122-Y125 HydrophobicContact CG-CE2 4.37Å; E122-Y125 WeakPolarHBondContact O-CB 3.34Å; E122-Y125 PolarHBondContact O-N 3.42Å; E122-Y125 VanDerWaalsContact O-N 3.15Å; L123-Y125 VanDerWaalsContact C-N 3.27Å; L123-Y125 PolarHBondContact O-N 2.89Å; Y125-D127 VanDerWaalsContact C-N 3.3Å; Y125-D127 PolarHBondContact O-N 3.28Å; Y125-M128 HydrophobicContact CD1-SD 4.28Å; Y125-M128 WeakPolarHBondContact O-CB 2.81Å; Y125-M128 PolarHBondContact O-N 3.47Å; Y125-V129 WeakPolarHBondContact O-CG2 3.44Å; Y125-V129 PolarHBondContact O-N 2.94Å; Y125-I296 HydrophobicContact CD2-CD1 4.42Å; Y125-P299 HydrophobicContact CE1-CB 4.33Å; Y125-P299 WeakPolarHBondContact OH-CB 3.38Å; Y125-P299 WeakPolarHBondContact OH-CG 3.49Å; Y125-P300 HydrophobicContact CD1-CG 3.63Å; Y125-P300 HydrophobicContact CD2-CG 4.24Å; Y125-P300 VanDerWaalsContact CE1-CD 3.47Å; Y125-P300 HydrophobicContact CE1-CG 4.3Å; Y125-P300 HydrophobicContact CG-CG 3.6Å
126K85.4Confident82.3Confident89 Ų8965.3 Ų65.339%0.38734%0.339SS..Hα-helixtrans-55.6-49173.5-172.9178.6178.11790110.4F117 E122 L123 M128 V129 C130F117-K126 HydrophobicContact CB-CB 4.36Å; F117-K126 HydrophobicContact CD1-CB 3.69Å; F117-K126 HydrophobicContact CD1-CG 4.47Å; F117-K126 HydrophobicContact CD2-CB 3.95Å; F117-K126 HydrophobicContact CD2-CD 3.93Å; F117-K126 HydrophobicContact CD2-CG 3.87Å; F117-K126 VanDerWaalsContact CE1-CA 3.48Å; F117-K126 HydrophobicContact CE1-CB 3.81Å; F117-K126 HydrophobicContact CE1-CG 4.42Å; F117-K126 HydrophobicContact CE2-CB 4.1Å; F117-K126 HydrophobicContact CE2-CD 4.32Å; F117-K126 HydrophobicContact CE2-CG 3.85Å; F117-K126 HydrophobicContact CG-CB 3.75Å; F117-K126 HydrophobicContact CG-CD 4.32Å; F117-K126 HydrophobicContact CG-CG 4.19Å; F117-K126 HydrophobicContact CZ-CB 4.02Å; F117-K126 HydrophobicContact CZ-CG 4.13Å; E122-K126 PolarHBondContact O-N 3.11Å; L123-K126 WeakPolarHBondContact O-CB 3.49Å; L123-K126 PolarHBondContact O-N 2.85Å; K126-M128 PolarHBondContact O-N 3.24Å; K126-V129 PolarHBondContact O-N 3.48Å; K126-C130 WeakPolarHBondContact O-CB 3.18Å; K126-C130 PolarHBondContact O-N 2.95Å; K126-C130 PolarHBondContact O-SG 3.02Å
127D86.3Confident82.6Confident95 Ų9564.4 Ų64.451%0.50833%0.329SS..Hα-helixtrans-58.7-48.4176.8-67.4-23000110.8L123 Q124 Y125 V129 C130 H131L123-D127 PolarHBondContact O-N 3.46Å; Q124-D127 PolarHBondContact O-N 3.42Å; Y125-D127 VanDerWaalsContact C-N 3.3Å; Y125-D127 PolarHBondContact O-N 3.28Å; D127-V129 VanDerWaalsContact C-N 3.26Å; D127-V129 PolarHBondContact O-N 3.02Å; D127-C130 WeakPolarHBondContact O-CB 3.39Å; D127-C130 PolarHBondContact O-N 3.49Å; D127-C130 VanDerWaalsContact O-N 3.15Å; D127-H131 PolarHBondContact O-N 2.82Å; D127-H131 PolarHBondContact O-ND1 2.87Å
128M85.7Confident83.1Confident57 Ų5763.8 Ų63.828%0.28133%0.327SS..Hα-helixtrans-55.9-39.2177.3-70.5175.768.600113.3Q124 Y125 K126 Q132 I156 I302Q124-M128 WeakPolarHBondContact O-CG 3.33Å; Q124-M128 PolarHBondContact O-N 3.23Å; Y125-M128 HydrophobicContact CD1-SD 4.28Å; Y125-M128 WeakPolarHBondContact O-CB 2.81Å; Y125-M128 PolarHBondContact O-N 3.47Å; K126-M128 PolarHBondContact O-N 3.24Å; M128-Q132 WeakPolarHBondContact O-CG 3.16Å; M128-Q132 PolarHBondContact O-NE2 3.37Å; M128-Q132 VanDerWaalsContact O-NE2 3.15Å; M128-I156 HydrophobicContact CE-CG2 4.35Å; M128-I302 HydrophobicContact CE-CG1 4.44Å
129V86.9Confident83.8Confident0 Ų057.8 Ų57.80%030%0.299CS..Hα-helixtrans-74.1-39.9178.1-177.30000111L112 Y125 K126 D127 H131 Q132 F153 I156 L158L112-V129 HydrophobicContact CD2-CB 3.91Å; L112-V129 HydrophobicContact CD2-CG1 3.49Å; L112-V129 VanDerWaalsContact CD2-CG1 3.49Å; L112-V129 HydrophobicContact CG-CG1 4.14Å; Y125-V129 WeakPolarHBondContact O-CG2 3.44Å; Y125-V129 PolarHBondContact O-N 2.94Å; K126-V129 PolarHBondContact O-N 3.48Å; D127-V129 VanDerWaalsContact C-N 3.26Å; D127-V129 PolarHBondContact O-N 3.02Å; V129-H131 PolarHBondContact O-N 2.78Å; V129-Q132 VanDerWaalsContact O-CB 3.26Å; V129-Q132 WeakPolarHBondContact O-CB 3.14Å; V129-Q132 WeakPolarHBondContact O-CG 3.41Å; V129-Q132 PolarHBondContact O-N 2.61Å; V129-F153 HydrophobicContact CG1-CD1 4.5Å; V129-F153 HydrophobicContact CG1-CE1 3.85Å; V129-F153 HydrophobicContact CG1-CE2 3.95Å; V129-F153 HydrophobicContact CG1-CZ 3.53Å; V129-I156 HydrophobicContact CB-CD1 4.24Å; V129-I156 HydrophobicContact CG2-CD1 3.57Å; V129-L158 HydrophobicContact CG1-CD1 4.29Å; V129-L158 HydrophobicContact CG2-CD1 3.6Å; V129-L158 HydrophobicContact CG2-CD2 3.96Å; V129-L158 HydrophobicContact CG2-CG 4.18Å
130C86.6Confident84.6Confident55 Ų5556.9 Ų56.937%0.37229%0.285SS..Hα-helixtrans-60.2-32.7174.4-73.10000112.5K126 D127 Q132K126-C130 WeakPolarHBondContact O-CB 3.18Å; K126-C130 PolarHBondContact O-N 2.95Å; K126-C130 PolarHBondContact O-SG 3.02Å; D127-C130 WeakPolarHBondContact O-CB 3.39Å; D127-C130 PolarHBondContact O-N 3.49Å; D127-C130 VanDerWaalsContact O-N 3.15Å; C130-Q132 PolarHBondContact O-N 2.95Å
131H88.5Confident85.5Confident153 Ų15349.8 Ų49.871%0.70825%0.247SC*.THydrogen-bonded Turntrans-72.9-11.1174.5-70.295.5000113.7D127 V129D127-H131 PolarHBondContact O-N 2.82Å; D127-H131 PolarHBondContact O-ND1 2.87Å; V129-H131 PolarHBondContact O-N 2.78Å
132Q87.6Confident86.3Confident9 Ų948.2 Ų48.24%0.04224%0.237CC..  trans-74.6138.8176.1-56.1-57.9-54.600110.6R108 M128 V129 C130 F153 Q155 I156R108-Q132 WeakPolarHBondContact CD-O 3.27Å; R108-Q132 PolarHBondContact NH1-O 2.87Å; M128-Q132 WeakPolarHBondContact O-CG 3.16Å; M128-Q132 PolarHBondContact O-NE2 3.37Å; M128-Q132 VanDerWaalsContact O-NE2 3.15Å; V129-Q132 VanDerWaalsContact O-CB 3.26Å; V129-Q132 WeakPolarHBondContact O-CB 3.14Å; V129-Q132 WeakPolarHBondContact O-CG 3.41Å; V129-Q132 PolarHBondContact O-N 2.61Å; C130-Q132 PolarHBondContact O-N 2.95Å; Q132-F153 HydrophobicContact CB-CB 3.88Å; Q132-F153 HydrophobicContact CB-CD1 3.74Å; Q132-F153 HydrophobicContact CB-CG 4.07Å; Q132-F153 HydrophobicContact CG-CB 3.64Å; Q132-F153 HydrophobicContact CG-CD1 4.08Å; Q132-F153 HydrophobicContact CG-CG 3.93Å; Q132-Q155 VanDerWaalsContact OE1-N 3.13Å; Q132-I156 HydrophobicContact CG-CD1 3.7Å; Q132-I156 HydrophobicContact CG-CG1 3.78Å
133K85.7Confident86.8Confident173 Ų17347.8 Ų47.875%0.75224%0.236SC*.SBendtrans-70.2-35.3-175.9-67.2-176.6177.9-179.40113.5R108R108-K133 PolarHBondContact NH1-O 3.44Å
134S87.8Confident86.8Confident15 Ų1547.9 Ų47.911%0.10524%0.236CC..  trans-160.6154.6-172.253.50000110.9G104 F153 P154G104-S134 WeakPolarHBondContact O-CA 3.48Å; S134-F153 WeakPolarHBondContact O-CD1 3.22Å; S134-P154 WeakPolarHBondContact O-CD 3.4Å
135L88.5Confident86.6Confident1 Ų145.6 Ų45.61%0.00523%0.227CC..  trans-82126.6163.3-177.770.6000109.1G104 M107 R108 Y111 K138 F151 V152 F153G104-L135 PolarHBondContact O-N 3.45Å; M107-L135 HydrophobicContact CB-CB 4.15Å; M107-L135 HydrophobicContact CB-CD2 4.18Å; R108-L135 HydrophobicContact CB-CB 4.39Å; Y111-L135 HydrophobicContact CD2-CD2 3.37Å; Y111-L135 HydrophobicContact CE2-CD2 3.75Å; Y111-L135 HydrophobicContact CG-CD2 4.3Å; L135-K138 HydrophobicContact CD2-CB 4.37Å; L135-F151 HydrophobicContact CD1-CB 3.87Å; L135-F151 HydrophobicContact CD1-CD1 4.11Å; L135-F151 HydrophobicContact CD2-CD1 4.17Å; L135-V152 WeakPolarHBondContact CD1-O 3.23Å; L135-F153 HydrophobicContact CB-CD1 4.45Å; L135-F153 HydrophobicContact CB-CE1 4.1Å; L135-F153 HydrophobicContact CD1-CD1 4.07Å; L135-F153 HydrophobicContact CD1-CD2 4.38Å; L135-F153 HydrophobicContact CD1-CE1 3.64Å; L135-F153 HydrophobicContact CD1-CE2 3.99Å; L135-F153 HydrophobicContact CD1-CG 4.42Å; L135-F153 HydrophobicContact CD1-CZ 3.61Å; L135-F153 HydrophobicContact CG-CE1 4.48Å
136L87.8Confident86.6Confident16 Ų1646.3 Ų46.38%0.08424%0.24CC..  trans-92.6-39.3-178.9-63.2-179.9000112.7V152 P154 S222 L223 L421L136-V152 WeakPolarHBondContact CB-O 3.42Å; L136-V152 PolarHBondContact N-O 2.96Å; L136-P154 HydrophobicContact CD1-CB 4.35Å; L136-P154 HydrophobicContact CD1-CG 4.04Å; L136-P154 HydrophobicContact CD2-CG 4.4Å; L136-P154 HydrophobicContact CG-CG 4.15Å; L136-S222 CarbonylContact O-C 3.47Å; L136-S222 WeakPolarHBondContact O-CA 3.49Å; L136-S222 WeakPolarHBondContact O-CB 3.41Å; L136-L223 HydrophobicContact CD2-CB 4.34Å; L136-L223 HydrophobicContact CD2-CD2 4.12Å; L136-L223 PolarHBondContact O-N 3.17Å; L136-L421 HydrophobicContact CD1-CD1 3.73Å; L136-L421 HydrophobicContact CD1-CD2 4.02Å
137L88Confident86.7Confident1 Ų147.9 Ų47.91%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-152.7136.9-176.9168.461.2000111.7V152 W221 F413 W414 T417L137-V152 HydrophobicContact CB-CB 4.07Å; L137-V152 HydrophobicContact CB-CG2 4.21Å; L137-V152 HydrophobicContact CD2-CG2 4.42Å; L137-V152 HydrophobicContact CG-CG2 4.39Å; L137-V152 PolarHBondContact N-O 2.91Å; L137-V152 PolarHBondContact O-N 3.23Å; L137-W221 VanDerWaalsContact CA-O 3.26Å; L137-W221 WeakPolarHBondContact CA-O 3.31Å; L137-W221 WeakPolarHBondContact CD1-O 3.28Å; L137-F413 HydrophobicContact CD1-CD1 4.06Å; L137-F413 HydrophobicContact CD1-CE1 3.54Å; L137-F413 HydrophobicContact CD2-CD1 4.47Å; L137-W414 HydrophobicContact CD1-CH2 4.46Å; L137-W414 HydrophobicContact CD1-CZ2 4.42Å; L137-W414 HydrophobicContact CD2-CD2 3.67Å; L137-W414 HydrophobicContact CD2-CE3 3.32Å; L137-W414 HydrophobicContact CD2-CG 4.43Å; L137-W414 HydrophobicContact CD2-CH2 3.89Å; L137-W414 HydrophobicContact CD2-CZ2 4.21Å; L137-W414 HydrophobicContact CD2-CZ3 3.46Å; L137-W414 VanDerWaalsContact CD2-CZ3 3.46Å; L137-W414 HydrophobicContact CG-CE3 4.15Å; L137-W414 HydrophobicContact CG-CH2 3.77Å; L137-W414 HydrophobicContact CG-CZ2 4.18Å; L137-W414 HydrophobicContact CG-CZ3 3.78Å; L137-T417 HydrophobicContact CB-CG2 3.99Å; L137-T417 HydrophobicContact CD2-CG2 3.83Å
138K88Confident86.9Confident20 Ų2043.4 Ų43.49%0.08723%0.225CC..EExtended strand (participates in β ladder)trans-122.8136.7163.4173.8-169.7-178.6-93.10109.2Y111 L135 T149 V150 F151 W221Y111-K138 HydrophobicContact CD1-CD 4.49Å; Y111-K138 HydrophobicContact CE1-CD 3.65Å; Y111-K138 HydrophobicContact CE2-CD 4.13Å; Y111-K138 VanDerWaalsContact CZ-CD 3.43Å; Y111-K138 VanDerWaalsContact OH-CD 3.25Å; Y111-K138 WeakPolarHBondContact OH-CD 3.36Å; L135-K138 HydrophobicContact CD2-CB 4.37Å; K138-T149 HydrophobicContact CG-CG2 4.14Å; K138-V150 WeakPolarHBondContact CA-O 3.49Å; K138-F151 HydrophobicContact CB-CD1 4.19Å; K138-F151 HydrophobicContact CB-CE1 4.33Å; K138-F151 HydrophobicContact CD-CD1 4.5Å; K138-F151 HydrophobicContact CD-CE1 3.8Å; K138-F151 HydrophobicContact CD-CZ 4.47Å; K138-F151 HydrophobicContact CG-CD1 4.13Å; K138-F151 HydrophobicContact CG-CE1 3.84Å; K138-W221 PolarHBondContact N-O 3.19Å; K138-W221 PolarHBondContact O-N 3.04Å
139G89.1Confident87.2Confident2 Ų241.6 Ų41.62%0.02122%0.217CC..EExtended strand (participates in β ladder)trans-165.4169.5165.100000112.6V150G139-V150 PolarHBondContact N-O 3.43Å; G139-V150 PolarHBondContact O-N 3.26Å
140S90.1Very high87.5Confident29 Ų2941.6 Ų41.620%0.20322%0.217CC..EExtended strand (participates in β ladder)trans-86.3137.7170.450.10000110.1V148S140-V148 CarbonylContact C-O 3.56Å; S140-V148 WeakPolarHBondContact CA-O 3.34Å
141L91.6Very high87.8Confident0 Ų039 Ų390%020%0.199CC..EExtended strand (participates in β ladder)trans-134.2152.9175-74.4172.2000108.2V148 V150 F335 F403 A405 W414L141-V148 HydrophobicContact CB-CG2 4.28Å; L141-V148 PolarHBondContact N-O 3.39Å; L141-V148 VanDerWaalsContact O-CG2 3.26Å; L141-V148 WeakPolarHBondContact O-CG2 3.26Å; L141-V148 PolarHBondContact O-N 3.03Å; L141-V148 VanDerWaalsContact O-O 3.06Å; L141-V150 HydrophobicContact CB-CG2 4.35Å; L141-V150 HydrophobicContact CD1-CB 4.14Å; L141-V150 HydrophobicContact CD1-CG2 3.85Å; L141-V150 HydrophobicContact CG-CG2 4.49Å; L141-F335 HydrophobicContact CD1-CE1 4.49Å; L141-F335 HydrophobicContact CD1-CZ 3.77Å; L141-F335 HydrophobicContact CD2-CE1 3.92Å; L141-F335 HydrophobicContact CD2-CZ 4.04Å; L141-F403 HydrophobicContact CB-CD1 4.11Å; L141-F403 HydrophobicContact CD1-CB 4.24Å; L141-F403 HydrophobicContact CD1-CD1 3.86Å; L141-F403 HydrophobicContact CD1-CG 4.13Å; L141-A405 HydrophobicContact CD2-CB 4.1Å; L141-W414 HydrophobicContact CD1-CD2 3.94Å; L141-W414 HydrophobicContact CD1-CE3 4.09Å; L141-W414 HydrophobicContact CD1-CH2 3.98Å; L141-W414 HydrophobicContact CD1-CZ2 3.78Å; L141-W414 HydrophobicContact CD1-CZ3 4.09Å; L141-W414 HydrophobicContact CD2-CD2 4.37Å; L141-W414 HydrophobicContact CD2-CG 4.36Å; L141-W414 HydrophobicContact CD2-CZ2 4.44Å; L141-W414 HydrophobicContact CG-CD2 4.44Å; L141-W414 HydrophobicContact CG-CZ2 3.88Å
142H88.3Confident88Confident63 Ų6331.7 Ų31.729%0.29217%0.166SC..EExtended strand (participates in β ladder)trans-101.4138.4172.9-63.672.7000109.8F403 Q404H142-F403 WeakPolarHBondContact O-CA 3.45Å; H142-Q404 HydrophobicContact CB-CB 4.12Å; H142-Q404 PolarHBondContact N-O 3.02Å; H142-Q404 PolarHBondContact O-N 2.95Å
143T84.7Confident88.2Confident5 Ų531.3 Ų31.33%0.03116%0.164CC..EExtended strand (participates in β ladder)trans-132.9-179.3-18057.10000109.9I145 G146 V148 F403T143-I145 PolarHBondContact O-N 2.9Å; T143-G146 PolarHBondContact N-O 3.46Å; T143-G146 PolarHBondContact O-N 3.26Å; T143-G146 PolarHBondContact OG1-O 3.41Å; T143-G146 VanDerWaalsContact OG1-O 3.05Å; T143-V148 HydrophobicContact CG2-CG2 3.62Å; T143-V148 WeakPolarHBondContact OG1-CG1 3.45Å; T143-F403 HydrophobicContact CG2-CD1 3.33Å; T143-F403 HydrophobicContact CG2-CE1 3.49Å; T143-F403 VanDerWaalsContact CG2-CE1 3.49Å; T143-F403 HydrophobicContact CG2-CG 4.37Å
144D78.8Confident88.3Confident90 Ų9025.1 Ų25.148%0.48114%0.141SC..THydrogen-bonded Turntrans-60.1-24.8175.268.5-39.2000113.8P324D144-P324 HydrophobicContact CB-CG 4.16Å
145I78.9Confident88.5Confident67 Ų6729.8 Ų29.834%0.34416%0.161SC..THydrogen-bonded Turntrans-83.2-15.2175.6-15.1170.4000112.9T143 C297 Y298T143-I145 PolarHBondContact O-N 2.9Å; I145-C297 HydrophobicContact CD1-CB 4.27Å; I145-Y298 HydrophobicContact CD1-CD2 4.46Å; I145-Y298 HydrophobicContact CD1-CE1 4.46Å; I145-Y298 HydrophobicContact CD1-CE2 3.38Å; I145-Y298 WeakPolarHBondContact CD1-OH 3.11Å; I145-Y298 HydrophobicContact CG1-CE2 4.34Å; I145-Y298 WeakPolarHBondContact CG1-OH 2.77Å
146G83.7Confident88.6Confident32 Ų3229.9 Ų29.933%0.3316%0.162SC..EExtended strand (participates in β ladder)trans118.9-158-171.700000113.2T143 V148T143-G146 PolarHBondContact N-O 3.46Å; T143-G146 PolarHBondContact O-N 3.26Å; T143-G146 PolarHBondContact OG1-O 3.41Å; T143-G146 VanDerWaalsContact OG1-O 3.05Å; G146-V148 PolarHBondContact O-N 3.44Å
147E87.4Confident88.9Confident122 Ų12229.1 Ų29.157%0.5716%0.158SC*.EExtended strand (participates in β ladder)trans-72.6124.2178.3-170.1175.5-165.300110.9
148V91.1Very high89.1Confident1 Ų129.1 Ų29.11%0.00616%0.158CC..EExtended strand (participates in β ladder)trans-125.3144.8-178.4-62.20000109.8S140 L141 T143 G146 V150 I159 T160 T161S140-V148 CarbonylContact C-O 3.56Å; S140-V148 WeakPolarHBondContact CA-O 3.34Å; L141-V148 HydrophobicContact CB-CG2 4.28Å; L141-V148 PolarHBondContact N-O 3.39Å; L141-V148 VanDerWaalsContact O-CG2 3.26Å; L141-V148 WeakPolarHBondContact O-CG2 3.26Å; L141-V148 PolarHBondContact O-N 3.03Å; L141-V148 VanDerWaalsContact O-O 3.06Å; T143-V148 HydrophobicContact CG2-CG2 3.62Å; T143-V148 WeakPolarHBondContact OG1-CG1 3.45Å; G146-V148 PolarHBondContact O-N 3.44Å; V148-V150 HydrophobicContact CG2-CG2 4.1Å; V148-I159 HydrophobicContact CB-CG2 3.92Å; V148-I159 HydrophobicContact CG1-CG2 4.13Å; V148-I159 HydrophobicContact CG2-CG2 3.95Å; V148-T160 CarbonylContact C-O 3.6Å; V148-T160 WeakPolarHBondContact CA-O 3.44Å; V148-T160 WeakPolarHBondContact CB-O 3.47Å; V148-T161 HydrophobicContact CG1-CG2 3.9Å
149T91.6Very high89.2Confident20 Ų2028.2 Ų28.212%0.12315%0.154CC..EExtended strand (participates in β ladder)trans-94.4124.7168.2-61.40000109K138 F151 T160 F294K138-T149 HydrophobicContact CG-CG2 4.14Å; T149-F151 HydrophobicContact CG2-CD2 4.46Å; T149-F151 HydrophobicContact CG2-CE1 4.41Å; T149-F151 HydrophobicContact CG2-CE2 3.79Å; T149-F151 HydrophobicContact CG2-CZ 3.75Å; T149-T160 PolarHBondContact N-O 3.33Å; T149-T160 WeakPolarHBondContact O-CA 3.14Å; T149-T160 PolarHBondContact O-N 3.24Å; T149-T160 VanDerWaalsContact O-O 3.11Å; T149-T160 PolarHBondContact O-OG1 3.01Å; T149-F294 HydrophobicContact CG2-CD1 4.13Å; T149-F294 HydrophobicContact CG2-CE1 3.72Å; T149-F294 HydrophobicContact CG2-CZ 4.33Å
150V92.9Very high89.3Confident0 Ų028.1 Ų28.10%015%0.153CC..EExtended strand (participates in β ladder)trans-108.3135-178.9172.80000110.2K138 G139 L141 V148 V152 M157 L158 I159 F403 W414K138-V150 WeakPolarHBondContact CA-O 3.49Å; G139-V150 PolarHBondContact N-O 3.43Å; G139-V150 PolarHBondContact O-N 3.26Å; L141-V150 HydrophobicContact CB-CG2 4.35Å; L141-V150 HydrophobicContact CD1-CB 4.14Å; L141-V150 HydrophobicContact CD1-CG2 3.85Å; L141-V150 HydrophobicContact CG-CG2 4.49Å; V148-V150 HydrophobicContact CG2-CG2 4.1Å; V150-V152 HydrophobicContact CG1-CG2 4.17Å; V150-M157 HydrophobicContact CB-CE 4.42Å; V150-M157 HydrophobicContact CG1-CE 3.34Å; V150-M157 HydrophobicContact CG1-CG 3.77Å; V150-M157 HydrophobicContact CG1-SD 4.26Å; V150-M157 HydrophobicContact CG2-CE 4.26Å; V150-L158 WeakPolarHBondContact CA-O 3.49Å; V150-I159 HydrophobicContact CG2-CG1 4.27Å; V150-I159 HydrophobicContact CG2-CG2 4.47Å; V150-F403 HydrophobicContact CG2-CE1 4.32Å; V150-W414 HydrophobicContact CB-CH2 3.67Å; V150-W414 HydrophobicContact CB-CZ2 4.45Å; V150-W414 HydrophobicContact CB-CZ3 4.19Å; V150-W414 HydrophobicContact CG1-CH2 3.63Å; V150-W414 HydrophobicContact CG1-CZ3 3.65Å
151F93Very high89.1Confident0 Ų027.8 Ų27.80%015%0.15CC..EExtended strand (participates in β ladder)trans-116.5123.2173.7-58.7-87.5000109.8Y111 I115 L135 K138 T149 F153 M157 L158 T160 F294Y111-F151 AromaticContact CD1-CE1 3.52Å; Y111-F151 HydrophobicContact CD1-CE1 3.52Å; Y111-F151 HydrophobicContact CD1-CZ 4.05Å; Y111-F151 HydrophobicContact CD2-CE1 4.26Å; Y111-F151 HydrophobicContact CE1-CE1 4.02Å; Y111-F151 HydrophobicContact CG-CD1 4.3Å; Y111-F151 AromaticContact CG-CE1 3.66Å; Y111-F151 HydrophobicContact CG-CE1 3.66Å; Y111-F151 HydrophobicContact CG-CZ 4.5Å; I115-F151 HydrophobicContact CD1-CD2 4.15Å; I115-F151 HydrophobicContact CD1-CE2 4.15Å; I115-F151 HydrophobicContact CD1-CG 4.48Å; I115-F151 HydrophobicContact CG1-CE2 4.21Å; L135-F151 HydrophobicContact CD1-CB 3.87Å; L135-F151 HydrophobicContact CD1-CD1 4.11Å; L135-F151 HydrophobicContact CD2-CD1 4.17Å; K138-F151 HydrophobicContact CB-CD1 4.19Å; K138-F151 HydrophobicContact CB-CE1 4.33Å; K138-F151 HydrophobicContact CD-CD1 4.5Å; K138-F151 HydrophobicContact CD-CE1 3.8Å; K138-F151 HydrophobicContact CD-CZ 4.47Å; K138-F151 HydrophobicContact CG-CD1 4.13Å; K138-F151 HydrophobicContact CG-CE1 3.84Å; T149-F151 HydrophobicContact CG2-CD2 4.46Å; T149-F151 HydrophobicContact CG2-CE1 4.41Å; T149-F151 HydrophobicContact CG2-CE2 3.79Å; T149-F151 HydrophobicContact CG2-CZ 3.75Å; F151-F153 HydrophobicContact CB-CE2 3.69Å; F151-F153 HydrophobicContact CB-CZ 4.19Å; F151-M157 CarbonylContact O-C 3.48Å; F151-M157 WeakPolarHBondContact O-CA 3.42Å; F151-L158 HydrophobicContact CB-CB 4.22Å; F151-L158 PolarHBondContact N-O 3.18Å; F151-L158 PolarHBondContact O-N 2.74Å; F151-T160 HydrophobicContact CD2-CG2 3.91Å; F151-T160 HydrophobicContact CE2-CG2 3.91Å; F151-T160 VanDerWaalsContact CE2-OG1 3.29Å; F151-T160 WeakPolarHBondContact CE2-OG1 3.49Å; F151-F294 HydrophobicContact CE2-CB 4.37Å; F151-F294 HydrophobicContact CE2-CD1 4.27Å; F151-F294 HydrophobicContact CE2-CD2 4.29Å; F151-F294 HydrophobicContact CE2-CG 4.04Å; F151-F294 HydrophobicContact CZ-CD1 4.26Å; F151-F294 AromaticContact CZ-CD2 3.82Å; F151-F294 HydrophobicContact CZ-CD2 3.82Å; F151-F294 HydrophobicContact CZ-CE1 4.37Å; F151-F294 AromaticContact CZ-CE2 3.94Å; F151-F294 HydrophobicContact CZ-CE2 3.94Å; F151-F294 AromaticContact CZ-CG 3.99Å; F151-F294 HydrophobicContact CZ-CG 3.99Å; F151-F294 HydrophobicContact CZ-CZ 4.21Å
152V92.7Very high88.6Confident0 Ų032.4 Ų32.40%017%0.17CC..EExtended strand (participates in β ladder)trans-108124.3179.5-174.90000109.6L135 L136 L137 V150 M157 L303 W414 L418 L421L135-V152 WeakPolarHBondContact CD1-O 3.23Å; L136-V152 WeakPolarHBondContact CB-O 3.42Å; L136-V152 PolarHBondContact N-O 2.96Å; L137-V152 HydrophobicContact CB-CB 4.07Å; L137-V152 HydrophobicContact CB-CG2 4.21Å; L137-V152 HydrophobicContact CD2-CG2 4.42Å; L137-V152 HydrophobicContact CG-CG2 4.39Å; L137-V152 PolarHBondContact N-O 2.91Å; L137-V152 PolarHBondContact O-N 3.23Å; V150-V152 HydrophobicContact CG1-CG2 4.17Å; V152-M157 HydrophobicContact CG2-CG 4.37Å; V152-L303 HydrophobicContact CG1-CD1 4.1Å; V152-W414 HydrophobicContact CG2-CE3 4.3Å; V152-W414 HydrophobicContact CG2-CH2 4.26Å; V152-W414 HydrophobicContact CG2-CZ3 3.45Å; V152-W414 VanDerWaalsContact CG2-CZ3 3.45Å; V152-L418 HydrophobicContact CG1-CD2 3.84Å; V152-L418 HydrophobicContact CG2-CD2 4.02Å; V152-L421 HydrophobicContact CG1-CD1 3.58Å
153F92.4Very high87.7Confident1 Ų131.3 Ų31.30%0.00417%0.17CC..  trans-113.1166.8172.5-57.6-91000109.2R108 V129 Q132 S134 L135 F151 Q155 I156 L158R108-F153 HydrophobicContact CB-CE1 4.47Å; R108-F153 HydrophobicContact CG-CE1 4.04Å; V129-F153 HydrophobicContact CG1-CD1 4.5Å; V129-F153 HydrophobicContact CG1-CE1 3.85Å; V129-F153 HydrophobicContact CG1-CE2 3.95Å; V129-F153 HydrophobicContact CG1-CZ 3.53Å; Q132-F153 HydrophobicContact CB-CB 3.88Å; Q132-F153 HydrophobicContact CB-CD1 3.74Å; Q132-F153 HydrophobicContact CB-CG 4.07Å; Q132-F153 HydrophobicContact CG-CB 3.64Å; Q132-F153 HydrophobicContact CG-CD1 4.08Å; Q132-F153 HydrophobicContact CG-CG 3.93Å; S134-F153 WeakPolarHBondContact O-CD1 3.22Å; L135-F153 HydrophobicContact CB-CD1 4.45Å; L135-F153 HydrophobicContact CB-CE1 4.1Å; L135-F153 HydrophobicContact CD1-CD1 4.07Å; L135-F153 HydrophobicContact CD1-CD2 4.38Å; L135-F153 HydrophobicContact CD1-CE1 3.64Å; L135-F153 HydrophobicContact CD1-CE2 3.99Å; L135-F153 HydrophobicContact CD1-CG 4.42Å; L135-F153 HydrophobicContact CD1-CZ 3.61Å; L135-F153 HydrophobicContact CG-CE1 4.48Å; F151-F153 HydrophobicContact CB-CE2 3.69Å; F151-F153 HydrophobicContact CB-CZ 4.19Å; F153-Q155 PolarHBondContact O-N 2.98Å; F153-Q155 VanDerWaalsContact O-N 3.09Å; F153-I156 CarbonylContact C-O 3.5Å; F153-I156 WeakPolarHBondContact CA-O 3.44Å; F153-I156 HydrophobicContact CB-CG1 3.75Å; F153-I156 WeakPolarHBondContact CB-O 3.25Å; F153-I156 HydrophobicContact CD2-CD1 4.27Å; F153-I156 HydrophobicContact CD2-CG1 3.86Å; F153-I156 HydrophobicContact CG-CG1 4.08Å; F153-I156 PolarHBondContact N-O 2.97Å; F153-I156 VanDerWaalsContact O-O 3.14Å; F153-L158 HydrophobicContact CD2-CG 4.39Å; F153-L158 HydrophobicContact CE2-CD1 3.63Å; F153-L158 HydrophobicContact CE2-CG 3.9Å; F153-L158 HydrophobicContact CZ-CD1 4.31Å
154P88.5Confident86.7Confident43 Ų4331.9 Ų31.928%0.27918%0.176SC..SBendtrans-55.8-29.6-176.4-29.635.5000115.5S134 L136S134-P154 WeakPolarHBondContact O-CD 3.4Å; L136-P154 HydrophobicContact CD1-CB 4.35Å; L136-P154 HydrophobicContact CD1-CG 4.04Å; L136-P154 HydrophobicContact CD2-CG 4.4Å; L136-P154 HydrophobicContact CG-CG 4.15Å
155Q90.4Very high85.6Confident112 Ų11233.9 Ų33.952%0.52319%0.194SC..SBendtrans-117.8-20.9-179.7-58.91776.600113.5Q132 F153 L303Q132-Q155 VanDerWaalsContact OE1-N 3.13Å; F153-Q155 PolarHBondContact O-N 2.98Å; F153-Q155 VanDerWaalsContact O-N 3.09Å; Q155-L303 PolarHBondContact O-N 2.87Å
156I92.2Very high84.3Confident4 Ų437.4 Ų37.42%0.02121%0.214CC..EExtended strand (participates in β ladder)trans-132.2152.4-170.866.1174.7000112.2M128 V129 Q132 F153 L301M128-I156 HydrophobicContact CE-CG2 4.35Å; V129-I156 HydrophobicContact CB-CD1 4.24Å; V129-I156 HydrophobicContact CG2-CD1 3.57Å; Q132-I156 HydrophobicContact CG-CD1 3.7Å; Q132-I156 HydrophobicContact CG-CG1 3.78Å; F153-I156 CarbonylContact C-O 3.5Å; F153-I156 WeakPolarHBondContact CA-O 3.44Å; F153-I156 HydrophobicContact CB-CG1 3.75Å; F153-I156 WeakPolarHBondContact CB-O 3.25Å; F153-I156 HydrophobicContact CD2-CD1 4.27Å; F153-I156 HydrophobicContact CD2-CG1 3.86Å; F153-I156 HydrophobicContact CG-CG1 4.08Å; F153-I156 PolarHBondContact N-O 2.97Å; F153-I156 VanDerWaalsContact O-O 3.14Å; I156-L301 CarbonylContact C-O 3.47Å; I156-L301 WeakPolarHBondContact CA-O 3.4Å
157M93.1Very high82.6Confident0 Ų039 Ų390%022%0.215CC..EExtended strand (participates in β ladder)trans-123.2127171.4177-178.8173.600109.5V150 F151 V152 L301 L303 L337 F403 L418V150-M157 HydrophobicContact CB-CE 4.42Å; V150-M157 HydrophobicContact CG1-CE 3.34Å; V150-M157 HydrophobicContact CG1-CG 3.77Å; V150-M157 HydrophobicContact CG1-SD 4.26Å; V150-M157 HydrophobicContact CG2-CE 4.26Å; F151-M157 CarbonylContact O-C 3.48Å; F151-M157 WeakPolarHBondContact O-CA 3.42Å; V152-M157 HydrophobicContact CG2-CG 4.37Å; M157-L301 HydrophobicContact CB-CB 4.34Å; M157-L301 PolarHBondContact N-O 3.01Å; M157-L301 PolarHBondContact O-N 3.02Å; M157-L303 HydrophobicContact CB-CD1 4.34Å; M157-L303 HydrophobicContact CB-CD2 3.77Å; M157-L303 HydrophobicContact CB-CG 4.1Å; M157-L303 HydrophobicContact SD-CD2 4.13Å; M157-L337 HydrophobicContact CE-CD1 3.99Å; M157-L337 HydrophobicContact SD-CD1 3.5Å; M157-L337 WeakPolarHBondContact SD-CD1 3.42Å; M157-F403 HydrophobicContact CE-CE1 4.13Å; M157-F403 HydrophobicContact CE-CE2 3.81Å; M157-F403 HydrophobicContact CE-CZ 3.57Å; M157-L418 HydrophobicContact SD-CD2 4.25Å
158L91.9Very high80.5Confident0 Ų039.9 Ų39.90%022%0.223CC..EExtended strand (participates in β ladder)trans-102.5133.5175.2-57178.5000109.8I115 V129 V150 F151 F153 T160 P300I115-L158 HydrophobicContact CD1-CD1 3.96Å; V129-L158 HydrophobicContact CG1-CD1 4.29Å; V129-L158 HydrophobicContact CG2-CD1 3.6Å; V129-L158 HydrophobicContact CG2-CD2 3.96Å; V129-L158 HydrophobicContact CG2-CG 4.18Å; V150-L158 WeakPolarHBondContact CA-O 3.49Å; F151-L158 HydrophobicContact CB-CB 4.22Å; F151-L158 PolarHBondContact N-O 3.18Å; F151-L158 PolarHBondContact O-N 2.74Å; F153-L158 HydrophobicContact CD2-CG 4.39Å; F153-L158 HydrophobicContact CE2-CD1 3.63Å; F153-L158 HydrophobicContact CE2-CG 3.9Å; F153-L158 HydrophobicContact CZ-CD1 4.31Å; L158-T160 HydrophobicContact CB-CG2 4.38Å; L158-P300 HydrophobicContact CD2-CB 3.57Å; L158-P300 HydrophobicContact CD2-CG 3.53Å
159I91Very high78.4Confident2 Ų243.8 Ų43.81%0.0124%0.244CC..EExtended strand (participates in β ladder)trans-109.7119.4172.1-56.3166.2000107.2V148 V150 C297 Y298 L301 F401 F403V148-I159 HydrophobicContact CB-CG2 3.92Å; V148-I159 HydrophobicContact CG1-CG2 4.13Å; V148-I159 HydrophobicContact CG2-CG2 3.95Å; V150-I159 HydrophobicContact CG2-CG1 4.27Å; V150-I159 HydrophobicContact CG2-CG2 4.47Å; I159-C297 HydrophobicContact CG2-CB 4.45Å; I159-C297 PolarHBondContact O-N 2.86Å; I159-Y298 HydrophobicContact CB-CD2 4.16Å; I159-Y298 HydrophobicContact CD1-CD2 3.95Å; I159-Y298 HydrophobicContact CG2-CD2 4.16Å; I159-Y298 HydrophobicContact CG2-CE2 4.49Å; I159-L301 HydrophobicContact CD1-CD1 3.88Å; I159-F401 HydrophobicContact CD1-CD1 3.84Å; I159-F401 HydrophobicContact CD1-CE1 3.91Å; I159-F401 HydrophobicContact CD1-CG 4.26Å; I159-F401 HydrophobicContact CD1-CZ 4.37Å; I159-F403 HydrophobicContact CD1-CE1 4.03Å; I159-F403 HydrophobicContact CD1-CZ 3.66Å; I159-F403 HydrophobicContact CG1-CE1 4.37Å; I159-F403 HydrophobicContact CG1-CZ 4.27Å
160T90.1Very high76.2Confident0 Ų045.5 Ų45.50%026%0.257CS..EExtended strand (participates in β ladder)trans-128.4157.3-175.669.20000110.7V148 T149 F151 L158 F294 R295 I296V148-T160 CarbonylContact C-O 3.6Å; V148-T160 WeakPolarHBondContact CA-O 3.44Å; V148-T160 WeakPolarHBondContact CB-O 3.47Å; T149-T160 PolarHBondContact N-O 3.33Å; T149-T160 WeakPolarHBondContact O-CA 3.14Å; T149-T160 PolarHBondContact O-N 3.24Å; T149-T160 VanDerWaalsContact O-O 3.11Å; T149-T160 PolarHBondContact O-OG1 3.01Å; F151-T160 HydrophobicContact CD2-CG2 3.91Å; F151-T160 HydrophobicContact CE2-CG2 3.91Å; F151-T160 VanDerWaalsContact CE2-OG1 3.29Å; F151-T160 WeakPolarHBondContact CE2-OG1 3.49Å; L158-T160 HydrophobicContact CB-CG2 4.38Å; T160-F294 HydrophobicContact CG2-CB 4.35Å; T160-R295 CarbonylContact C-O 3.53Å; T160-R295 WeakPolarHBondContact CA-O 3.47Å; T160-R295 WeakPolarHBondContact CB-O 3.5Å; T160-I296 HydrophobicContact CG2-CG1 4.32Å
161T87.2Confident73.8Confident22 Ų2255.9 Ų55.914%0.13530%0.296CS..EExtended strand (participates in β ladder)trans-114.2155168.243.40000109.1V148 S163 I173 F294 R295 C297V148-T161 HydrophobicContact CG1-CG2 3.9Å; T161-S163 PolarHBondContact O-N 3.44Å; T161-I173 WeakPolarHBondContact OG1-CD1 3.37Å; T161-F294 WeakPolarHBondContact O-CA 3.29Å; T161-R295 PolarHBondContact N-O 3.2Å; T161-R295 PolarHBondContact O-N 3.25Å; T161-C297 WeakPolarHBondContact CG2-SG 3.3Å; T161-C297 PolarHBondContact N-SG 2.89Å; T161-C297 VanDerWaalsContact N-SG 3.45Å; T161-C297 PolarHBondContact OG1-SG 2.75Å
162F80.8Confident71.3Confident96 Ų9661.3 Ų61.342%0.42132%0.324SS..EExtended strand (participates in β ladder)trans-69.1122.4174.2179.8-106.5000110.4N167 E292F162-N167 PolarHBondContact O-ND2 2.96Å; F162-E292 HydrophobicContact CD2-CB 4.36Å; F162-E292 HydrophobicContact CE2-CB 3.83Å; F162-E292 HydrophobicContact CE2-CG 3.91Å
163S70.2Confident69Low41 Ų4162.2 Ų62.229%0.28733%0.329SS..  trans-102.387.5171.761.80000108.7T161 R293T161-S163 PolarHBondContact O-N 3.44Å; S163-R293 PolarHBondContact N-O 3.31Å; S163-R293 VanDerWaalsContact OG-C 3.27Å; S163-R293 WeakPolarHBondContact OG-CB 3.39Å; S163-R293 PolarHBondContact OG-O 3.07Å
164G62.3Low66.6Low16 Ų1664.6 Ų64.617%0.16535%0.346CS..  trans-65.3160.2167.700000111.3D166 N167G164-D166 PolarHBondContact O-N 3.24Å; G164-N167 PolarHBondContact O-N 3Å
165P57Low64.3Low132 Ų13268.7 Ų68.786%0.85736%0.356SS*.THydrogen-bonded Turntrans-55.3-35.5179.421.7-32000112.6
166D50Low62Low142 Ų14264.7 Ų64.776%0.75934%0.34SS*.THydrogen-bonded Turntrans-105.98.8-174.8-58-33000113.9G164 N168G164-D166 PolarHBondContact O-N 3.24Å; D166-N168 PolarHBondContact O-N 3.32Å
167N48.7Very low59.6Low65 Ų6566.9 Ų66.935%0.34835%0.348SS..  trans-76.787.8-173.7-163.21.3000111.7F162 G164 N169 S170F162-N167 PolarHBondContact O-ND2 2.96Å; G164-N167 PolarHBondContact O-N 3Å; N167-N169 PolarHBondContact O-N 3.37Å; N167-N169 WeakPolarHBondContact OD1-CB 3.38Å; N167-N169 VanDerWaalsContact OD1-CG 3.23Å; N167-N169 PolarHBondContact OD1-N 3.15Å; N167-N169 VanDerWaalsContact OD1-N 3.08Å; N167-N169 PolarHBondContact OD1-ND2 2.82Å; N167-S170 PolarHBondContact O-N 2.98Å; N167-S170 VanDerWaalsContact O-N 3.13Å
168N44.3Very low57Low141 Ų14175.3 Ų75.375%0.75438%0.381SS*.THydrogen-bonded Turntrans-56.5-5.7169.4-83.9-29.5000114.3D166 S170 R171D166-N168 PolarHBondContact O-N 3.32Å; N168-S170 PolarHBondContact O-N 3.38Å; N168-S170 PolarHBondContact O-OG 3.35Å; N168-R171 PolarHBondContact O-N 3.35Å
169N46.6Very low54.4Low82 Ų8277.1 Ų77.144%0.43940%0.4SS..THydrogen-bonded Turntrans-60.5-4.8165.5-71.9-15.7000113.1N167 R171 L172 I173N167-N169 PolarHBondContact O-N 3.37Å; N167-N169 WeakPolarHBondContact OD1-CB 3.38Å; N167-N169 VanDerWaalsContact OD1-CG 3.23Å; N167-N169 PolarHBondContact OD1-N 3.15Å; N167-N169 VanDerWaalsContact OD1-N 3.08Å; N167-N169 PolarHBondContact OD1-ND2 2.82Å; N169-R171 PolarHBondContact O-N 3.29Å; N169-L172 PolarHBondContact O-N 3.38Å; N169-I173 PolarHBondContact O-N 3.4Å
170S45.8Very low51.7Low56 Ų5686.5 Ų86.539%0.39244%0.441SS..Hα-helixtrans-41.8-36.7164.467.90000113.5N167 N168 S174 R295N167-S170 PolarHBondContact O-N 2.98Å; N167-S170 VanDerWaalsContact O-N 3.13Å; N168-S170 PolarHBondContact O-N 3.38Å; N168-S170 PolarHBondContact O-OG 3.35Å; S170-S174 PolarHBondContact O-N 2.83Å; S170-R295 PolarHBondContact O-NH1 2.87Å
171R41.2Very low48.8Very low218 Ų21894.2 Ų94.282%0.82348%0.481SS*.Hα-helixtrans-74.6-36.4176-88.6-172.8-172.9173.44.4114.8N168 N169 I173N168-R171 PolarHBondContact O-N 3.35Å; N169-R171 PolarHBondContact O-N 3.29Å; R171-I173 VanDerWaalsContact C-N 3.28Å; R171-I173 PolarHBondContact O-N 3.09Å
172L41.8Very low45.9Very low114 Ų11498.3 Ų98.360%0.59751%0.511SS*.Hα-helixtrans-67.4-34.2178.4-70.2175.1000110.6N169 R175N169-L172 PolarHBondContact O-N 3.38Å; L172-R175 WeakPolarHBondContact O-CB 3.26Å; L172-R175 PolarHBondContact O-N 2.89Å
173I44.3Very low43.5Very low19 Ų19102.7 Ų102.710%0.09752%0.524CS..Hα-helixtrans-78.6-35.2-175.8-59163.1000113T161 N169 R171 R175 C176 Y177T161-I173 WeakPolarHBondContact OG1-CD1 3.37Å; N169-I173 PolarHBondContact O-N 3.4Å; R171-I173 VanDerWaalsContact C-N 3.28Å; R171-I173 PolarHBondContact O-N 3.09Å; I173-R175 PolarHBondContact O-N 2.98Å; I173-C176 WeakPolarHBondContact O-CB 3.48Å; I173-C176 PolarHBondContact O-N 3.05Å; I173-Y177 HydrophobicContact CG2-CE2 4.33Å
174S41.8Very low41.5Very low51 Ų51109 Ų10936%0.35755%0.549SS..Hα-helixtrans-53.4-26.9168.9-87.40000111S170 Y178S170-S174 PolarHBondContact O-N 2.83Å; S174-Y178 WeakPolarHBondContact O-CD2 3.22Å; S174-Y178 PolarHBondContact O-N 2.97Å
175R39.2Very low39.8Very low130 Ų130115.4 Ų115.449%0.49158%0.578SS.*Hα-helixtrans-75.3-18175.4-140.1170.7-171.5134.28.4115L172 I173 Y178L172-R175 WeakPolarHBondContact O-CB 3.26Å; L172-R175 PolarHBondContact O-N 2.89Å; I173-R175 PolarHBondContact O-N 2.98Å; R175-Y178 CarbonylContact O-C 3.5Å
176C41.8Very low38.4Very low27 Ų27116.7 Ų116.718%0.18258%0.576CS.*Hα-helixtrans-78.9-36.5175.8-68.50000111.9I173 Y298I173-C176 WeakPolarHBondContact O-CB 3.48Å; I173-C176 PolarHBondContact O-N 3.05Å; C176-Y298 HydrophobicContact CB-CE1 4.42Å
177Y42Very low37.1Very low51 Ų51118.5 Ų118.520%0.258%0.578CS.*Hα-helixtrans-66.5-42.4172.3-77.7-81000112E122 I173 G179 I296E122-Y177 PolarHBondContact OE1-OH 3.28Å; I173-Y177 HydrophobicContact CG2-CE2 4.33Å; Y177-G179 PolarHBondContact O-N 3.3Å; Y177-I296 VanDerWaalsContact CE2-O 3.23Å; Y177-I296 WeakPolarHBondContact CE2-O 3.39Å; Y177-I296 VanDerWaalsContact OH-CB 3.29Å; Y177-I296 WeakPolarHBondContact OH-CB 3.36Å; Y177-I296 VanDerWaalsContact OH-CG2 3.3Å; Y177-I296 WeakPolarHBondContact OH-CG2 3.36Å; Y177-I296 PolarHBondContact OH-O 3.36Å
178Y40Very low36Very low176 Ų176121 Ų12169%0.6960%0.597SS**SBendtrans-95.888.1177.2-53.9-63000109.5S174 R175 K180S174-Y178 WeakPolarHBondContact O-CD2 3.22Å; S174-Y178 PolarHBondContact O-N 2.97Å; R175-Y178 CarbonylContact O-C 3.5Å; Y178-K180 PolarHBondContact O-N 2.8Å
179G36.6Very low35.1Very low39 Ų39122.9 Ų122.940%0.40260%0.601SS.*  trans-40.1133.3173.300000111.5Y177 L181Y177-G179 PolarHBondContact O-N 3.3Å; G179-L181 PolarHBondContact O-N 3.34Å
180K34.8Very low34Very low198 Ų198124.4 Ų124.486%0.86161%0.613SS**  trans-37.393.6-177.1-65.1174179.4170.30111.9Y178 S182Y178-K180 PolarHBondContact O-N 2.8Å; K180-S182 PolarHBondContact O-N 2.86Å
181L28.1Very low33.2Very low163 Ų163128.8 Ų128.885%0.85363%0.631SS**  trans-72.5105.9157.6-73.5172.4000105.9G179G179-L181 PolarHBondContact O-N 3.34Å
182S26.7Very low32.4Very low107 Ų107124.1 Ų124.175%0.74863%0.627SS**  trans32.299156.6-160.30000116.8K180K180-S182 PolarHBondContact O-N 2.86Å
183R30.9Very low31.7Very low188 Ų188124 Ų12471%0.70964%0.636SS**  trans-90.8103.7153.2-76.8-170-177.8-154.84107.4I185R183-I185 PolarHBondContact O-N 2.94Å
184Q26.6Very low30.8Very low174 Ų174128.1 Ų128.181%0.81367%0.666SS**  trans-59.2121.6152.1-86.8177.7-15.900107I186Q184-I186 PolarHBondContact O-N 3.47Å
185I27.2Very low30.4Very low151 Ų151135.5 Ų135.577%0.77469%0.692SS**  trans-7098.1-179.3-61.3165.3000106.9R183 K187R183-I185 PolarHBondContact O-N 2.94Å; I185-K187 PolarHBondContact O-N 3.02Å
186I27.4Very low29.7Very low159 Ų159136.9 Ų136.982%0.81571%0.708SS**  trans-79.3106.6162.5-58.3175.4000105.4Q184Q184-I186 PolarHBondContact O-N 3.47Å
187K23.2Very low29Very low180 Ų180141.2 Ų141.278%0.78374%0.739SS**PPolyproline II helixtrans-57.2124.1177.4-72178.7176.2177.20108.9I185 H189I185-K187 PolarHBondContact O-N 3.02Å; K187-H189 PolarHBondContact O-N 3.06Å
188P26.4Very low28.3Very low118 Ų118144.1 Ų144.177%0.76676%0.764SS**PPolyproline II helixtrans-67.1124.7174.426.2-30.5000109.1V190P188-V190 PolarHBondContact O-N 2.82Å
189H24Very low27.6Very low179 Ų179141.4 Ų141.483%0.82977%0.766SS**PPolyproline II helixtrans-67.1116.4176.2-152.2-74.8000108.4K187 I191K187-H189 PolarHBondContact O-N 3.06Å; H189-I191 PolarHBondContact O-N 2.88Å
190V25.2Very low27.2Very low114 Ų114144.9 Ų144.969%0.69178%0.784SS**  trans-70.3111.7177.4177.40000107.6P188 T192P188-V190 PolarHBondContact O-N 2.82Å; V190-T192 HydrophobicContact CG1-CG2 3.98Å
191I28.4Very low26.7Very low148 Ų148143.2 Ų143.276%0.75978%0.784SS**  trans-93.6103.2165.5-61.1177.7000106.3H189 S193H189-I191 PolarHBondContact O-N 2.88Å; I191-S193 PolarHBondContact O-N 3.1Å
192T24.6Very low26.6Very low121 Ų121141.2 Ų141.274%0.74278%0.778SS**  trans-69.3109.7172.250.20000108.9V190V190-T192 HydrophobicContact CG1-CG2 3.98Å
193S27.2Very low26.5Very low112 Ų112141.1 Ų141.178%0.78378%0.778SS**  trans-122.288.6158.765.40000108.5I191I191-S193 PolarHBondContact O-N 3.1Å
194S25.7Very low26.4Very low105 Ų105137.9 Ų137.973%0.73478%0.781SS**  trans-76129.716156.50000108.2
195K32.8Very low26.2Very low206 Ų206137.7 Ų137.790%0.89678%0.78SS**  trans-168.5112.8141.9-105.3163.8-172.8-175.50109.3
196N24.7Very low26Very low158 Ų158135.1 Ų135.185%0.84577%0.773SS**  trans-62.4140176-54.5-32.9000110.5
197S26.9Very low25.9Very low118 Ų118133.4 Ų133.483%0.82578%0.775SS**  trans-149118.9141.556.40000108.5
198P26.3Very low25.9Very low113 Ų113131.2 Ų131.273%0.73477%0.771SS**  trans-94.7168.9-177.735.7-29.9000111.2
199T26.7Very low25.6Very low118 Ų118133.2 Ų133.272%0.72477%0.773SS**  trans86.585.5153.5-7.40000116.9L201T199-L201 HydrophobicContact CG2-CD1 4.02Å
200S27.1Very low25.5Very low112 Ų112129 Ų12978%0.78376%0.764SS**  trans-132.897.8134.174.20000109V202S200-V202 PolarHBondContact O-N 2.83Å
201L25Very low25.3Very low163 Ų163129.5 Ų129.585%0.85377%0.772SS**  trans-64.695.4166.6-86.6128.8000108.5T199T199-L201 HydrophobicContact CG2-CD1 4.02Å
202V26.5Very low24.9Very low122 Ų122127.6 Ų127.674%0.73977%0.768SS**  trans-121.5101.5157.8179.20000106.3S200 P204S200-V202 PolarHBondContact O-N 2.83Å; V202-P204 WeakPolarHBondContact O-CD 3.4Å
203S24.4Very low24.7Very low105 Ų105126 Ų12673%0.73476%0.761SS**PPolyproline II helixtrans-56.5120.3172.5176.10000109.5Q205S203-Q205 PolarHBondContact O-N 3.14Å
204P27.1Very low24.4Very low120 Ų120126 Ų12678%0.77976%0.757SS**PPolyproline II helixtrans-72.6118.7169.5-824.8000108.3V202V202-P204 WeakPolarHBondContact O-CD 3.4Å
205Q24.3Very low24.1Very low170 Ų170130.4 Ų130.479%0.79476%0.757SS**PPolyproline II helixtrans-49.5144.8166.5-93.1-97.7-22.900111.4S203 S207S203-Q205 PolarHBondContact O-N 3.14Å; Q205-S207 PolarHBondContact O-N 2.78Å; Q205-S207 VanDerWaalsContact O-N 3.09Å
206P23Very low23.5Very low96 Ų96126.4 Ų126.462%0.62375%0.75SS**  trans-71.8105.7-178.329.5-31.8000109.5I208P206-I208 PolarHBondContact O-N 3.18Å
207S25.3Very low23.5Very low123 Ų123125.9 Ų125.986%0.8674%0.737SS**  trans-69.299.1168.853.50000109.2Q205Q205-S207 PolarHBondContact O-N 2.78Å; Q205-S207 VanDerWaalsContact O-N 3.09Å
208I22.1Very low23.4Very low135 Ų135122.8 Ų122.869%0.69272%0.724SS**  trans-67.4132.1171.2-72.4171.9000109.3P206P206-I208 PolarHBondContact O-N 3.18Å
209I21.3Very low24Very low159 Ų159119.5 Ų119.582%0.81570%0.699SS**  trans71.6107.1161.4-59.2158.3000116.8
210S21.1Very low25Very low92 Ų92119 Ų11964%0.64368%0.683SS**  177.279116.7174.70000108.6V212S210-V212 PolarHBondContact O-N 3.01Å; S210-V212 WeakPolarHBondContact OG-CG2 3.44Å
211S20.2Very low26Very low123 Ų123116.1 Ų116.186%0.8666%0.655SS**  trans-72.477.4165.2480000108.6S213S211-S213 PolarHBondContact O-N 3.12Å
212V20.7Very low27.1Very low109 Ų109108.6 Ų108.666%0.66162%0.617SS**  trans-67.890161176.60000105.5S210 T214S210-V212 PolarHBondContact O-N 3.01Å; S210-V212 WeakPolarHBondContact OG-CG2 3.44Å; V212-T214 HydrophobicContact CG1-CG2 4.26Å; V212-T214 PolarHBondContact O-N 2.9Å
213S21Very low28.1Very low86 Ų86104.5 Ų104.560%0.60159%0.59SS**  trans-65.588.1170.2-172.60000106.8S211 R215S211-S213 PolarHBondContact O-N 3.12Å; S213-R215 PolarHBondContact O-N 3.23Å
214T20.2Very low28.9Very low114 Ų114103 Ų10370%0.69957%0.574SS**  trans-64.678.7162.138.90000106.9V212 V216V212-T214 HydrophobicContact CG1-CG2 4.26Å; V212-T214 PolarHBondContact O-N 2.9Å; T214-V216 PolarHBondContact O-N 2.91Å
215R19.7Very low29.4Very low196 Ų196100.5 Ų100.574%0.7456%0.559SS**  trans-66.787.3164.3-70.2-171.3-166-153.94.3106.2S213 Y217S213-R215 PolarHBondContact O-N 3.23Å; R215-Y217 WeakPolarHBondContact O-CD2 3.29Å; R215-Y217 PolarHBondContact O-N 2.82Å
216V20.9Very low29.8Very low123 Ų12394.6 Ų94.675%0.74553%0.533SS*.  trans-54108.1163.2179.60000105.2T214 G218T214-V216 PolarHBondContact O-N 2.91Å; V216-G218 PolarHBondContact O-N 2.72Å
217Y23.3Very low30Very low147 Ų14795.1 Ų95.158%0.57653%0.529SS*.  trans-70.786.3176.4-72.2-90.8000106.9R215 H219R215-Y217 WeakPolarHBondContact O-CD2 3.29Å; R215-Y217 PolarHBondContact O-N 2.82Å; Y217-H219 VanDerWaalsContact C-N 3.35Å; Y217-H219 WeakPolarHBondContact CB-CE1 3.21Å; Y217-H219 WeakPolarHBondContact CB-NE2 3.35Å; Y217-H219 PolarHBondContact O-CD2 2.97Å; Y217-H219 PolarHBondContact O-N 3.12Å; Y217-H219 PolarHBondContact O-NE2 2.83Å
218G24.7Very low30.2Very low52 Ų5298.3 Ų98.354%0.53652%0.522SS..  trans-65.695.7169.300000108.7V216 R220V216-G218 PolarHBondContact O-N 2.72Å; G218-R220 PolarHBondContact O-N 3.41Å
219H40.4Very low30.5Very low45 Ų4595.9 Ų95.921%0.20851%0.514CS..  trans-69.997.4-173.5-64.7-66.9000111.7R19 E23 Y217R19-H219 PolarHBondContact NH2-CE1 2.82Å; E23-H219 IonicContact OE1-CD2 3.53Å; E23-H219 PolarHBondContact OE1-CD2 3.28Å; E23-H219 IonicContact OE1-CE1 3.18Å; E23-H219 PolarHBondContact OE1-CE1 3.08Å; E23-H219 IonicContact OE1-CG 3.44Å; E23-H219 IonicContact OE1-ND1 3.33Å; E23-H219 PolarHBondContact OE1-ND1 3.02Å; E23-H219 IonicContact OE1-NE2 2.87Å; E23-H219 PolarHBondContact OE1-NE2 2.91Å; E23-H219 IonicContact OE2-CD2 2.87Å; E23-H219 PolarHBondContact OE2-CD2 3.2Å; E23-H219 IonicContact OE2-CE1 3.65Å; E23-H219 IonicContact OE2-CG 2.74Å; E23-H219 IonicContact OE2-NE2 3.01Å; E23-H219 PolarHBondContact OE2-NE2 3.09Å; Y217-H219 VanDerWaalsContact C-N 3.35Å; Y217-H219 WeakPolarHBondContact CB-CE1 3.21Å; Y217-H219 WeakPolarHBondContact CB-NE2 3.35Å; Y217-H219 PolarHBondContact O-CD2 2.97Å; Y217-H219 PolarHBondContact O-N 3.12Å; Y217-H219 PolarHBondContact O-NE2 2.83Å
220R47.5Very low30.5Very low106 Ų10699.5 Ų99.540%0.452%0.518SS..  trans-74.6129.5166.5-88.8169.261.2-178.26.4110.3G218 D410G218-R220 PolarHBondContact O-N 3.41Å; R220-D410 WeakPolarHBondContact CD-OD1 3.43Å; R220-D410 IonicContact CZ-OD1 2.97Å; R220-D410 IonicContact NE-OD1 2.87Å; R220-D410 PolarHBondContact NE-OD1 2.95Å; R220-D410 IonicContact NH1-OD1 3.41Å; R220-D410 PolarHBondContact NH1-OD1 2.87Å; R220-D410 IonicContact NH2-OD1 2.86Å; R220-D410 PolarHBondContact NH2-OD1 2.87Å
221W47.5Very low30.7Very low52 Ų52100.5 Ų100.520%0.19752%0.522CS..EExtended strand (participates in β ladder)trans-136.3133.4172.3-81.9102.8000110.6Y16 M107 L137 K138Y16-W221 AromaticContact CD1-CD2 3.94Å; Y16-W221 HydrophobicContact CD1-CD2 3.94Å; Y16-W221 AromaticContact CD1-CE2 3.75Å; Y16-W221 HydrophobicContact CD1-CE3 4.16Å; Y16-W221 AromaticContact CD1-CH2 3.93Å; Y16-W221 HydrophobicContact CD1-CH2 3.93Å; Y16-W221 AromaticContact CD1-CZ2 3.72Å; Y16-W221 HydrophobicContact CD1-CZ2 3.72Å; Y16-W221 HydrophobicContact CD1-CZ3 4.17Å; Y16-W221 AromaticContact CE1-CD2 3.4Å; Y16-W221 HydrophobicContact CE1-CD2 3.4Å; Y16-W221 AromaticContact CE1-CE2 3.57Å; Y16-W221 AromaticContact CE1-CE3 3.17Å; Y16-W221 HydrophobicContact CE1-CE3 3.17Å; Y16-W221 HydrophobicContact CE1-CG 4.27Å; Y16-W221 AromaticContact CE1-CH2 3.25Å; Y16-W221 HydrophobicContact CE1-CH2 3.25Å; Y16-W221 AromaticContact CE1-CZ2 3.49Å; Y16-W221 HydrophobicContact CE1-CZ2 3.49Å; Y16-W221 VanDerWaalsContact CE1-CZ2 3.49Å; Y16-W221 AromaticContact CE1-CZ3 3.12Å; Y16-W221 HydrophobicContact CE1-CZ3 3.12Å; Y16-W221 HydrophobicContact CE2-CH2 4.29Å; Y16-W221 HydrophobicContact CE2-CZ3 4.44Å; Y16-W221 AromaticContact CZ-CE3 3.76Å; Y16-W221 AromaticContact CZ-CH2 3.42Å; Y16-W221 VanDerWaalsContact CZ-CH2 3.42Å; Y16-W221 AromaticContact CZ-CZ3 3.25Å; Y16-W221 WeakPolarHBondContact OH-CH2 3.22Å; Y16-W221 WeakPolarHBondContact OH-CZ3 3.28Å; M107-W221 HydrophobicContact SD-CB 4.31Å; M107-W221 HydrophobicContact SD-CG 4.48Å; L137-W221 VanDerWaalsContact CA-O 3.26Å; L137-W221 WeakPolarHBondContact CA-O 3.31Å; L137-W221 WeakPolarHBondContact CD1-O 3.28Å; K138-W221 PolarHBondContact N-O 3.19Å; K138-W221 PolarHBondContact O-N 3.04Å
222S48.1Very low31.2Very low6 Ų6100.1 Ų100.14%0.04252%0.517CS..EExtended strand (participates in β ladder)trans-138.9156.6160.195.70000113.6L136 L224 S225 F413L136-S222 CarbonylContact O-C 3.47Å; L136-S222 WeakPolarHBondContact O-CA 3.49Å; L136-S222 WeakPolarHBondContact O-CB 3.41Å; S222-L224 PolarHBondContact OG-N 3.17Å; S222-S225 PolarHBondContact O-OG 2.99Å; S222-S225 PolarHBondContact OG-N 3.4Å; S222-F413 WeakPolarHBondContact OG-CE2 3.4Å; S222-F413 WeakPolarHBondContact OG-CZ 3.12Å
223L46.8Very low31.4Very low35 Ų35100.6 Ų100.618%0.18352%0.522CS..SBendtrans-70.8-33.5172.5-150.595.5000112.6N100 L136N100-L223 HydrophobicContact CB-CD1 3.98Å; N100-L223 HydrophobicContact CB-CD2 4.1Å; N100-L223 HydrophobicContact CB-CG 3.9Å; N100-L223 WeakPolarHBondContact O-CD1 3.47Å; L136-L223 HydrophobicContact CD2-CB 4.34Å; L136-L223 HydrophobicContact CD2-CD2 4.12Å; L136-L223 PolarHBondContact O-N 3.17Å
224L41.7Very low31.7Very low74 Ų74103.9 Ų103.939%0.38753%0.533SS..G310 helixtrans-81.8-15.9-169.8-80.9133.4000113.9S222 I226 L227 T417S222-L224 PolarHBondContact OG-N 3.17Å; L224-I226 PolarHBondContact O-N 2.87Å; L224-L227 PolarHBondContact O-N 3.48Å; L224-T417 HydrophobicContact CD1-CG2 3.83Å
225S38.6Very low32.1Very low68 Ų68106.3 Ų106.348%0.47654%0.54SS..G310 helixtrans-65.7-21.9176.754.30000113.3S222 L227S222-S225 PolarHBondContact O-OG 2.99Å; S222-S225 PolarHBondContact OG-N 3.4Å; S225-L227 VanDerWaalsContact C-N 3.25Å; S225-L227 PolarHBondContact O-N 2.98Å
226I32Very low32.3Very low46 Ų4699.6 Ų99.624%0.23653%0.532CS..G310 helixtrans-72.4-19.8-176.9-67.3168.6000112T62 I96 N100 L224T62-I226 HydrophobicContact CG2-CG2 3.84Å; I96-I226 HydrophobicContact CG2-CG2 3.86Å; N100-I226 WeakPolarHBondContact OD1-CD1 3.35Å; L224-I226 PolarHBondContact O-N 2.87Å
227L27.4Very low32.6Very low106 Ų106101.5 Ų101.556%0.55554%0.538SS*.G310 helixtrans-106.31.2-174.7-70.6175.9000115.9L224 S225 T229L224-L227 PolarHBondContact O-N 3.48Å; S225-L227 VanDerWaalsContact C-N 3.25Å; S225-L227 PolarHBondContact O-N 2.98Å; L227-T229 PolarHBondContact O-N 2.82Å
228R28.3Very low32.8Very low190 Ų19098.9 Ų98.972%0.71755%0.547SS*.  trans-91.989.1-177.7-142171.6-167.8165.75112.8R230 T416R228-R230 PolarHBondContact O-N 3.15Å; R228-T416 VanDerWaalsContact NH1-CG2 3.35Å; R228-T416 PolarHBondContact NH1-OG1 3.32Å; R228-T416 VanDerWaalsContact NH1-OG1 3.12Å
229T28.9Very low33.1Very low85 Ų85102.4 Ų102.452%0.52156%0.558SS.*  trans-68.1109.7166.155.50000110L66 L227L66-T229 HydrophobicContact CD2-CG2 3.4Å; L66-T229 VanDerWaalsContact CD2-CG2 3.4Å; L227-T229 PolarHBondContact O-N 2.82Å
230R21.8Very low32.4Very low235 Ų235109.8 Ų109.889%0.88759%0.593SS**PPolyproline II helixtrans-80.9120.3156-109.7-177.1178.5-178.7-2.8106.8R228R228-R230 PolarHBondContact O-N 3.15Å
231P26.1Very low31.4Very low113 Ų113111.4 Ų111.473%0.73461%0.614SS**PPolyproline II helixtrans-63.7131.9159.76.45.8000107.3
232P29.3Very low30.4Very low115 Ų115114.2 Ų114.275%0.74764%0.642SS**PPolyproline II helixtrans-68.5149.9168.528.7-30.8000109.9
233P25.7Very low29.4Very low118 Ų118123.5 Ų123.577%0.76668%0.682SS**SBendtrans-69.8138178.828.2-32.1000111.6
234D26.6Very low28.7Very low156 Ų156129.5 Ų129.583%0.83471%0.714SS**  trans41.2104.6154.1-56-30.9000119
235L29Very low28.2Very low164 Ų164131.8 Ų131.886%0.85974%0.737SS**  trans-124.670.1150.1-158.374.3000108.8
236G23.7Very low28.2Very low55 Ų55131.4 Ų131.457%0.56774%0.743SS**  trans-63.3144.3157.100000109.1
237N26.5Very low28.8Very low164 Ų164137.8 Ų137.888%0.87778%0.778SS**  trans89.557.1170.9-43-20.3000115.9
238A27.8Very low29.4Very low91 Ų91142.1 Ų142.175%0.75279%0.787SS**  trans-106.395.6151.300000108.4
239T30.6Very low30.1Very low126 Ų126135.8 Ų135.877%0.77377%0.77SS**  trans-52.4136.3174.622.80000111.8T241T239-T241 PolarHBondContact O-N 3.06Å
240Q26.4Very low31.2Very low201 Ų201134.3 Ų134.394%0.93976%0.764SS**  trans-49.8116.1175.1-64.117220.100110.1
241T27.6Very low32.8Very low139 Ų139130.3 Ų130.385%0.85375%0.753SS**  trans-104.8117.116930.10000109.1T239T239-T241 PolarHBondContact O-N 3.06Å
242S25.9Very low33.4Very low111 Ų111125.8 Ų125.878%0.77672%0.723SS**  trans-42.7141.8-178.9174.40000115.4
243F26.8Very low34.4Very low202 Ų202121.6 Ų121.689%0.88670%0.699SS**  trans-59.7124.4171.2-73-95.7000111
244N33Very low35.9Very low160 Ų160122 Ų12286%0.85669%0.685SS**  trans-130.9110.1157.8-116.4-16.8000108.9G246N244-G246 PolarHBondContact O-N 3.32Å
245S30.9Very low36.9Very low123 Ų123117.8 Ų117.886%0.8666%0.662SS**  trans-62.6116.3173.752.60000109.9
246G38.3Very low37.7Very low59 Ų59113.7 Ų113.761%0.60864%0.637SS**SBendtrans-177.586.3171.100000110N244 R248N244-G246 PolarHBondContact O-N 3.32Å; G246-R248 WeakPolarHBondContact O-CB 3.4Å; G246-R248 PolarHBondContact O-N 2.79Å
247N44.5Very low39Very low180 Ų180120.1 Ų120.196%0.96364%0.644SS**SBendtrans34.817.3165.3-89.3-0.9000119.5
248R40Very low40Very low197 Ų197121.1 Ų121.174%0.74364%0.636SS**PPolyproline II helixtrans-92.6117.9-175.5-152171.1-166.4-177.15.2106G246 S250G246-R248 WeakPolarHBondContact O-CB 3.4Å; G246-R248 PolarHBondContact O-N 2.79Å; R248-S250 PolarHBondContact O-N 2.84Å
249P41.7Very low40.4Very low57 Ų57119.3 Ų119.337%0.3761%0.613SS.*PPolyproline II helixtrans-52.8134.4179.818.7-30000109.3A253 R254P249-A253 HydrophobicContact CB-CB 3.8Å; P249-R254 HydrophobicContact CB-CG 4.26Å; P249-R254 HydrophobicContact CG-CG 3.97Å; P249-R254 PolarHBondContact O-NE 2.9Å
250S53.7Low40.7Very low55 Ų55116.2 Ų116.239%0.38560%0.597SS.*PPolyproline II helixtrans-49.2155.4176.469.70000109.7R248 C252 A253 R254R248-S250 PolarHBondContact O-N 2.84Å; S250-C252 PolarHBondContact O-N 2.83Å; S250-C252 VanDerWaalsContact O-N 3.17Å; S250-A253 PolarHBondContact O-N 2.99Å; S250-A253 WeakPolarHBondContact OG-CB 3.33Å; S250-A253 PolarHBondContact OG-N 3.19Å; S250-R254 PolarHBondContact O-N 3.24Å
251K53.9Low41.2Very low151 Ų151109.4 Ų109.466%0.65757%0.572SS**Hα-helixtrans-55.2-34.7176.6-164.8175.8-179.1-179.70110.6R254 L255K251-R254 PolarHBondContact O-N 3.35Å; K251-L255 WeakPolarHBondContact O-CG 3.32Å; K251-L255 PolarHBondContact O-N 3.43Å; K251-L255 VanDerWaalsContact O-N 3.09Å
252C39.8Very low41.8Very low17 Ų17106.7 Ų106.712%0.11555%0.551CS.*Hα-helixtrans-63.5-50.6172.7-58.10000112.1E81 S250 R254 L255 F256E81-C252 WeakPolarHBondContact OE2-CB 3.1Å; S250-C252 PolarHBondContact O-N 2.83Å; S250-C252 VanDerWaalsContact O-N 3.17Å; C252-R254 VanDerWaalsContact C-N 3.29Å; C252-R254 PolarHBondContact O-N 2.67Å; C252-L255 CarbonylContact O-C 3.58Å; C252-L255 WeakPolarHBondContact O-CA 3.44Å; C252-L255 PolarHBondContact O-N 3.45Å; C252-F256 PolarHBondContact O-N 3.02Å
253A49.3Very low42Very low28 Ų28107.4 Ų107.423%0.23154%0.543CS..Hα-helixtrans-59.5-36.8176.700000112.9P249 S250 R257P249-A253 HydrophobicContact CB-CB 3.8Å; S250-A253 PolarHBondContact O-N 2.99Å; S250-A253 WeakPolarHBondContact OG-CB 3.33Å; S250-A253 PolarHBondContact OG-N 3.19Å; A253-R257 WeakPolarHBondContact O-CB 3.16Å; A253-R257 PolarHBondContact O-N 3.19Å
254R57Low42.4Very low126 Ų126103 Ų10348%0.47553%0.533SS..Hα-helixtrans-66.1-39.2173.3-78.8-172.7-95.7176.4-3.3112.5P249 S250 K251 C252 R258P249-R254 HydrophobicContact CB-CG 4.26Å; P249-R254 HydrophobicContact CG-CG 3.97Å; P249-R254 PolarHBondContact O-NE 2.9Å; S250-R254 PolarHBondContact O-N 3.24Å; K251-R254 PolarHBondContact O-N 3.35Å; C252-R254 VanDerWaalsContact C-N 3.29Å; C252-R254 PolarHBondContact O-N 2.67Å; R254-R258 WeakPolarHBondContact O-CB 3.18Å; R254-R258 PolarHBondContact O-N 2.93Å; R254-R258 VanDerWaalsContact O-N 3.11Å
255L47.9Very low42.3Very low68 Ų6899.4 Ų99.436%0.35652%0.521SS..Hα-helixtrans-69.4-41.9175.6-77.2162.5000111.4L71 K251 C252 R258 L259L71-L255 HydrophobicContact CD2-CB 3.95Å; L71-L255 HydrophobicContact CD2-CD1 3.35Å; L71-L255 HydrophobicContact CD2-CG 4.19Å; K251-L255 WeakPolarHBondContact O-CG 3.32Å; K251-L255 PolarHBondContact O-N 3.43Å; K251-L255 VanDerWaalsContact O-N 3.09Å; C252-L255 CarbonylContact O-C 3.58Å; C252-L255 WeakPolarHBondContact O-CA 3.44Å; C252-L255 PolarHBondContact O-N 3.45Å; L255-R258 WeakPolarHBondContact O-CB 3.48Å; L255-R258 PolarHBondContact O-N 2.95Å; L255-L259 WeakPolarHBondContact O-CG 3.47Å; L255-L259 PolarHBondContact O-N 2.87Å
256F46.7Very low42.2Very low77 Ų7798.2 Ų98.234%0.33851%0.513SS..Hα-helixtrans-58.3-47.5173-109.4-76.2000112.1L85 C252 R258 L259 S260L85-F256 HydrophobicContact CD2-CE2 3.56Å; L85-F256 HydrophobicContact CD2-CZ 3.94Å; L85-F256 HydrophobicContact CG-CE2 4.19Å; C252-F256 PolarHBondContact O-N 3.02Å; F256-R258 VanDerWaalsContact C-N 3.26Å; F256-R258 PolarHBondContact O-N 2.82Å; F256-L259 PolarHBondContact O-N 2.81Å; F256-L259 VanDerWaalsContact O-N 3.13Å; F256-S260 PolarHBondContact O-N 2.86Å; F256-S260 PolarHBondContact O-OG 3.09Å
257R51.1Low42.1Very low190 Ų190100.4 Ų100.472%0.71752%0.516SS*.Hα-helixtrans-63.5-33.6177.4-163.3-175.8-89.7-177.9-6.2111.9A253 S260 S261A253-R257 WeakPolarHBondContact O-CB 3.16Å; A253-R257 PolarHBondContact O-N 3.19Å; R257-S260 WeakPolarHBondContact CA-OG 3.41Å; R257-S260 PolarHBondContact O-OG 3.12Å; R257-S261 WeakPolarHBondContact O-CB 3.17Å; R257-S261 PolarHBondContact O-N 3.15Å; R257-S261 PolarHBondContact O-OG 3.48Å
258R47.9Very low41.3Very low186 Ų18697.6 Ų97.670%0.70251%0.51SS*.Hα-helixtrans-67.5-42.7173.8-135166177123.3-3.6111R254 L255 F256 S261 I262R254-R258 WeakPolarHBondContact O-CB 3.18Å; R254-R258 PolarHBondContact O-N 2.93Å; R254-R258 VanDerWaalsContact O-N 3.11Å; L255-R258 WeakPolarHBondContact O-CB 3.48Å; L255-R258 PolarHBondContact O-N 2.95Å; F256-R258 VanDerWaalsContact C-N 3.26Å; F256-R258 PolarHBondContact O-N 2.82Å; R258-S261 PolarHBondContact O-OG 3Å; R258-S261 VanDerWaalsContact O-OG 3.09Å; R258-I262 VanDerWaalsContact O-CD1 3.28Å; R258-I262 WeakPolarHBondContact O-CD1 3.29Å; R258-I262 VanDerWaalsContact O-CG1 3.22Å; R258-I262 WeakPolarHBondContact O-CG1 3.42Å; R258-I262 PolarHBondContact O-N 3.45Å
259L35.8Very low41Very low52 Ų5292.7 Ų92.727%0.27250%0.503SS..Hα-helixtrans-66.1-40.9176.1-70.3170.9000112.5Y64 L71 L255 F256 I262 M263Y64-L259 HydrophobicContact CD1-CD2 4.34Å; Y64-L259 HydrophobicContact CE1-CD2 3.99Å; L71-L259 HydrophobicContact CD1-CD1 4.18Å; L255-L259 WeakPolarHBondContact O-CG 3.47Å; L255-L259 PolarHBondContact O-N 2.87Å; F256-L259 PolarHBondContact O-N 2.81Å; F256-L259 VanDerWaalsContact O-N 3.13Å; L259-I262 PolarHBondContact O-N 3.44Å; L259-M263 PolarHBondContact O-N 3.43Å
260S35.9Very low40.3Very low61 Ų6199.1 Ų99.143%0.42753%0.525SS..Hα-helixtrans-71.8-40.5179.263.90000112.7F256 R257 I262 M263 T264F256-S260 PolarHBondContact O-N 2.86Å; F256-S260 PolarHBondContact O-OG 3.09Å; R257-S260 WeakPolarHBondContact CA-OG 3.41Å; R257-S260 PolarHBondContact O-OG 3.12Å; S260-I262 PolarHBondContact O-N 2.9Å; S260-M263 PolarHBondContact O-N 3.28Å; S260-T264 PolarHBondContact O-N 3.36Å; S260-T264 VanDerWaalsContact O-N 3.08Å; S260-T264 PolarHBondContact O-OG1 2.9Å
261S38.5Very low39.2Very low59 Ų59102.7 Ų102.741%0.41354%0.539SS..Hα-helixtrans-61.1-29.8176.475.70000113R257 R258 M263 T264 S265R257-S261 WeakPolarHBondContact O-CB 3.17Å; R257-S261 PolarHBondContact O-N 3.15Å; R257-S261 PolarHBondContact O-OG 3.48Å; R258-S261 PolarHBondContact O-OG 3Å; R258-S261 VanDerWaalsContact O-OG 3.09Å; S261-M263 VanDerWaalsContact C-N 3.35Å; S261-T264 PolarHBondContact O-N 2.99Å; S261-S265 WeakPolarHBondContact O-CB 3.37Å; S261-S265 PolarHBondContact O-N 3.2Å; S261-S265 PolarHBondContact O-OG 2.84Å
262I38.9Very low37.9Very low82 Ų82101.6 Ų101.642%0.42154%0.54SS..Hα-helixtrans-75.4-26.5177.8-66.7166.1000111.3R258 L259 S260R258-I262 VanDerWaalsContact O-CD1 3.28Å; R258-I262 WeakPolarHBondContact O-CD1 3.29Å; R258-I262 VanDerWaalsContact O-CG1 3.22Å; R258-I262 WeakPolarHBondContact O-CG1 3.42Å; R258-I262 PolarHBondContact O-N 3.45Å; L259-I262 PolarHBondContact O-N 3.44Å; S260-I262 PolarHBondContact O-N 2.9Å
263M31.1Very low37.5Very low125 Ų125107.5 Ų107.562%0.61657%0.569SS**Hα-helixtrans-79.3-30.9173.3-78-85.2167.200112.2L259 S260 S261L259-M263 PolarHBondContact O-N 3.43Å; S260-M263 PolarHBondContact O-N 3.28Å; S261-M263 VanDerWaalsContact C-N 3.35Å
264T34.1Very low36.5Very low109 Ų109110.8 Ų110.867%0.66959%0.59SS**Hα-helixtrans-101.7-5-174.961.70000114.7S260 S261 S266S260-T264 PolarHBondContact O-N 3.36Å; S260-T264 VanDerWaalsContact O-N 3.08Å; S260-T264 PolarHBondContact O-OG1 2.9Å; S261-T264 PolarHBondContact O-N 2.99Å; T264-S266 PolarHBondContact O-N 2.9Å
265S30.9Very low35.1Very low86 Ų86115.2 Ų115.260%0.60161%0.607SS**  trans-74.265167.169.40000109.9S261 P267S261-S265 WeakPolarHBondContact O-CB 3.37Å; S261-S265 PolarHBondContact O-N 3.2Å; S261-S265 PolarHBondContact O-OG 2.84Å; S265-P267 VanDerWaalsContact O-CD 3.27Å; S265-P267 WeakPolarHBondContact O-CD 3.21Å
266S29.5Very low34.1Very low98 Ų98117 Ų11769%0.68562%0.623SS**  trans-74.5112154.7-70.10000105.8T264 S268T264-S266 PolarHBondContact O-N 2.9Å; S266-S268 PolarHBondContact O-N 2.72Å
267P35.6Very low33.3Very low105 Ų105119.9 Ų119.968%0.68265%0.646SS**  trans-62.9108.9165.925.5-26.6000105.6S265 T269S265-P267 VanDerWaalsContact O-CD 3.27Å; S265-P267 WeakPolarHBondContact O-CD 3.21Å; P267-T269 PolarHBondContact O-N 2.88Å
268S27.5Very low32.4Very low121 Ų121114.2 Ų114.285%0.84664%0.64SS**  trans-70.954.4168.3690000109.1S266 K270S266-S268 PolarHBondContact O-N 2.72Å; S268-K270 PolarHBondContact O-N 3.31Å
269T34.5Very low31.5Very low94 Ų94111.4 Ų111.458%0.57764%0.644SS**  trans-82.4104.115745.50000104.5P267 L271P267-T269 PolarHBondContact O-N 2.88Å; T269-L271 PolarHBondContact O-N 2.68Å
270K27.8Very low31.2Very low192 Ų192112.1 Ų112.184%0.83566%0.657SS**  trans-57.369.5163.3-157.7-178.2-171.9-1730107.5S268 D272S268-K270 PolarHBondContact O-N 3.31Å; K270-D272 VanDerWaalsContact C-N 3.28Å; K270-D272 PolarHBondContact O-N 3.24Å
271L29.3Very low30.7Very low129 Ų129113.2 Ų113.268%0.67567%0.665SS**  trans-83.689.7168.9-95.8150.4000103.6T269 I273T269-L271 PolarHBondContact O-N 2.68Å; L271-I273 PolarHBondContact O-N 2.66Å
272D27.3Very low30.4Very low128 Ų128119.4 Ų119.468%0.68469%0.685SS**  trans-54.487.9156.3-78.3-41.5000106.3K270 S274K270-D272 VanDerWaalsContact C-N 3.28Å; K270-D272 PolarHBondContact O-N 3.24Å; D272-S274 PolarHBondContact O-N 3.07Å
273I31.3Very low29.9Very low142 Ų142120.6 Ų120.673%0.72870%0.696SS**  trans-7176.8161.5-59.6172.2000103.9L271 R275L271-I273 PolarHBondContact O-N 2.66Å; I273-R275 PolarHBondContact O-N 2.95Å
274S28.5Very low30.3Very low97 Ų97120.2 Ų120.268%0.67870%0.703SS**  trans-51.1102155.4-58.10000104D272 P276D272-S274 PolarHBondContact O-N 3.07Å; S274-P276 VanDerWaalsContact O-CD 3.25Å; S274-P276 WeakPolarHBondContact O-CD 3.3Å
275R26.6Very low30.4Very low219 Ų219118.2 Ų118.283%0.82670%0.697SS**  trans-42.6111.8173.4-175.7176.6-171.6160.50.8105.9I273 V277I273-R275 PolarHBondContact O-N 2.95Å; R275-V277 PolarHBondContact O-N 3.24Å
276P28.5Very low31Very low106 Ų106121.1 Ų121.169%0.68871%0.706SS**  trans-62.1106.6-175.219.9-28.3000106.9S274 A278S274-P276 VanDerWaalsContact O-CD 3.25Å; S274-P276 WeakPolarHBondContact O-CD 3.3Å; P276-A278 PolarHBondContact O-N 3.17Å
277V28.6Very low32Very low136 Ų136122.6 Ų122.682%0.82470%0.702SS**  trans-75.455.1164.1-173.40000106.4R275R275-V277 PolarHBondContact O-N 3.24Å
278A31.6Very low33Very low72 Ų72122.9 Ų122.960%0.59570%0.702SS**  trans-109.192.1154.800000102.5P276 A280P276-A278 PolarHBondContact O-N 3.17Å; A278-A280 PolarHBondContact O-N 3.48Å
279T29.7Very low34.5Very low126 Ų126118.8 Ų118.877%0.77367%0.672SS**  trans-62.161.2157.7-41.30000107.2S281T279-S281 PolarHBondContact O-N 2.9Å
280A29.1Very low36Very low68 Ų68118.3 Ų118.356%0.56267%0.672SS**  trans-67.785.115000000102.7A278 F282A278-A280 PolarHBondContact O-N 3.48Å; A280-F282 HydrophobicContact CB-CE2 4.48Å; A280-F282 PolarHBondContact O-N 3.26Å
281S26.4Very low38Very low84 Ų84111.2 Ų111.259%0.58764%0.643SS**  trans-5089.5151.950.80000105.2T279 T283T279-S281 PolarHBondContact O-N 2.9Å; S281-T283 PolarHBondContact O-N 3.4Å
282F31.6Very low40.2Very low189 Ų189108.8 Ų108.883%0.82963%0.628SS**  trans-6082.7142.1-75.8-83.5000102.9A280 P284A280-F282 HydrophobicContact CB-CE2 4.48Å; A280-F282 PolarHBondContact O-N 3.26Å; F282-P284 VanDerWaalsContact C-N 3.29Å; F282-P284 WeakPolarHBondContact O-CD 3.45Å
283T29.2Very low42.9Very low106 Ų106110.7 Ų110.765%0.6563%0.626SS**  trans-49.8111.7150.546.80000102.1S281 A285S281-T283 PolarHBondContact O-N 3.4Å; T283-A285 PolarHBondContact O-N 3.48Å
284P38.3Very low45.6Very low118 Ų118104 Ų10477%0.76659%0.592SS**  trans-64.291.1163.121.2-11.8000102.1F282 D286F282-P284 VanDerWaalsContact C-N 3.29Å; F282-P284 WeakPolarHBondContact O-CD 3.45Å; P284-D286 PolarHBondContact O-N 3.16Å
285A37.5Very low48.3Very low66 Ų66101.9 Ų101.955%0.54557%0.569SS.*  trans-44.1131.5149.400000103.6T283 E287T283-A285 PolarHBondContact O-N 3.48Å; A285-E287 PolarHBondContact O-N 3.5Å
286D43.5Very low51.1Low148 Ų14891.4 Ų91.479%0.79153%0.529SS*.SBendtrans-59.129.6-163.2-134.60.2000114.8P284 T288P284-D286 PolarHBondContact O-N 3.16Å; D286-T288 PolarHBondContact O-N 3.37Å
287E49.3Very low53.7Low128 Ų12886.5 Ų86.560%0.59850%0.497SS*.  trans-64.457163.1-58.4-171.9175.500109.7K29 A285 V289K29-E287 WeakPolarHBondContact CE-OE2 3.44Å; K29-E287 IonicContact NZ-OE2 2.74Å; K29-E287 PolarHBondContact NZ-OE2 3.02Å; A285-E287 PolarHBondContact O-N 3.5Å; E287-V289 VanDerWaalsContact C-N 3.32Å; E287-V289 PolarHBondContact O-N 3.15Å
288T56.6Low56.3Low112 Ų11280.9 Ų80.969%0.68746%0.461SS*.  trans-59.2102.1163.255.90000106.5D286 S290D286-T288 PolarHBondContact O-N 3.37Å; T288-S290 PolarHBondContact O-N 3.2Å
289V59.7Low59Low35 Ų3579.3 Ų79.321%0.21245%0.445CS..  trans-51.2111.5173.2173.20000107.3A24 E287 L291A24-V289 HydrophobicContact CB-CG1 3.21Å; E287-V289 VanDerWaalsContact C-N 3.32Å; E287-V289 PolarHBondContact O-N 3.15Å; V289-L291 PolarHBondContact O-N 2.69Å
290S65.5Low61.8Low83 Ų8374 Ų7458%0.5841%0.413SS*.  trans-67107.2-176.148.60000110.2Q28 T288Q28-S290 VanDerWaalsContact NE2-N 3.16Å; Q28-S290 PolarHBondContact NE2-O 2.95Å; Q28-S290 PolarHBondContact NE2-OG 2.9Å; Q28-S290 VanDerWaalsContact NE2-OG 3.14Å; T288-S290 PolarHBondContact O-N 3.2Å
291L69.1Low64.7Low43 Ų4371.1 Ų71.123%0.22539%0.388CS..  trans-77.9144.3176.9-65176.4000110.6K20 Y21 V289 R293K20-L291 HydrophobicContact CD-CD2 3.89Å; K20-L291 HydrophobicContact CG-CD2 4Å; Y21-L291 HydrophobicContact CD1-CD2 4.16Å; Y21-L291 HydrophobicContact CE1-CD1 4.1Å; Y21-L291 HydrophobicContact CE1-CD2 4.05Å; Y21-L291 HydrophobicContact CE1-CG 4.38Å; V289-L291 PolarHBondContact O-N 2.69Å; L291-R293 PolarHBondContact O-N 3.32Å
292E76.7Confident67.8Low78 Ų7870.5 Ų70.536%0.36438%0.378SS..  trans-52.1130.7172.5-60.7-176.1150.500111.4C114 F162 F294C114-E292 WeakPolarHBondContact CB-O 3.03Å; F162-E292 HydrophobicContact CD2-CB 4.36Å; F162-E292 HydrophobicContact CE2-CB 3.83Å; F162-E292 HydrophobicContact CE2-CG 3.91Å; E292-F294 HydrophobicContact CB-CE2 4.08Å; E292-F294 HydrophobicContact CB-CZ 4.06Å; E292-F294 WeakPolarHBondContact OE2-CZ 3.33Å
293R84.6Confident70.5Confident169 Ų16961.5 Ų61.564%0.63834%0.338SS*.  trans-109.1139.4173.6-68.6-170.9173.3106.8-0.6110.8C114 S163 L291C114-R293 CarbonylContact O-C 3.58Å; C114-R293 VanDerWaalsContact O-CA 3.29Å; C114-R293 WeakPolarHBondContact O-CA 3.45Å; S163-R293 PolarHBondContact N-O 3.31Å; S163-R293 VanDerWaalsContact OG-C 3.27Å; S163-R293 WeakPolarHBondContact OG-CB 3.39Å; S163-R293 PolarHBondContact OG-O 3.07Å; L291-R293 PolarHBondContact O-N 3.32Å
294F86.2Confident73.4Confident2 Ų263 Ų631%0.00934%0.336CS..EExtended strand (participates in β ladder)trans-116.3137.7-178-61.2-80.6000110.6Y111 C114 I115 G116 T149 F151 T160 T161 E292Y111-F294 HydrophobicContact CD1-CE2 4.45Å; C114-F294 HydrophobicContact CB-CD2 4.03Å; C114-F294 HydrophobicContact CB-CE2 4.29Å; C114-F294 PolarHBondContact O-N 3.08Å; I115-F294 HydrophobicContact CG1-CB 4.16Å; G116-F294 PolarHBondContact N-O 2.86Å; T149-F294 HydrophobicContact CG2-CD1 4.13Å; T149-F294 HydrophobicContact CG2-CE1 3.72Å; T149-F294 HydrophobicContact CG2-CZ 4.33Å; F151-F294 HydrophobicContact CE2-CB 4.37Å; F151-F294 HydrophobicContact CE2-CD1 4.27Å; F151-F294 HydrophobicContact CE2-CD2 4.29Å; F151-F294 HydrophobicContact CE2-CG 4.04Å; F151-F294 HydrophobicContact CZ-CD1 4.26Å; F151-F294 AromaticContact CZ-CD2 3.82Å; F151-F294 HydrophobicContact CZ-CD2 3.82Å; F151-F294 HydrophobicContact CZ-CE1 4.37Å; F151-F294 AromaticContact CZ-CE2 3.94Å; F151-F294 HydrophobicContact CZ-CE2 3.94Å; F151-F294 AromaticContact CZ-CG 3.99Å; F151-F294 HydrophobicContact CZ-CG 3.99Å; F151-F294 HydrophobicContact CZ-CZ 4.21Å; T160-F294 HydrophobicContact CG2-CB 4.35Å; T161-F294 WeakPolarHBondContact O-CA 3.29Å; E292-F294 HydrophobicContact CB-CE2 4.08Å; E292-F294 HydrophobicContact CB-CZ 4.06Å; E292-F294 WeakPolarHBondContact OE2-CZ 3.33Å
295R85.2Confident75.9Confident51 Ų5161.6 Ų61.619%0.19232%0.322CS..EExtended strand (participates in β ladder)trans-110.3130.8174-171.9175.8-177.5-172.2-0.8110.4T160 T161 S170 C297T160-R295 CarbonylContact C-O 3.53Å; T160-R295 WeakPolarHBondContact CA-O 3.47Å; T160-R295 WeakPolarHBondContact CB-O 3.5Å; T161-R295 PolarHBondContact N-O 3.2Å; T161-R295 PolarHBondContact O-N 3.25Å; S170-R295 PolarHBondContact O-NH1 2.87Å; R295-C297 PolarHBondContact O-N 3.45Å
296I86.9Confident78.4Confident0 Ų059.3 Ų59.30%030%0.299CS..EExtended strand (participates in β ladder)trans-64.6134.5177.3-60.2172.9000109.2I115 F117 Y125 T160 Y177 Y298I115-I296 HydrophobicContact CG2-CD1 4.02Å; I115-I296 HydrophobicContact CG2-CG1 3.84Å; F117-I296 HydrophobicContact CD1-CD1 3.57Å; F117-I296 HydrophobicContact CE1-CD1 3.51Å; F117-I296 HydrophobicContact CZ-CD1 4.48Å; Y125-I296 HydrophobicContact CD2-CD1 4.42Å; T160-I296 HydrophobicContact CG2-CG1 4.32Å; Y177-I296 VanDerWaalsContact CE2-O 3.23Å; Y177-I296 WeakPolarHBondContact CE2-O 3.39Å; Y177-I296 VanDerWaalsContact OH-CB 3.29Å; Y177-I296 WeakPolarHBondContact OH-CB 3.36Å; Y177-I296 VanDerWaalsContact OH-CG2 3.3Å; Y177-I296 WeakPolarHBondContact OH-CG2 3.36Å; Y177-I296 PolarHBondContact OH-O 3.36Å; I296-Y298 WeakPolarHBondContact CG2-O 3.33Å
297C83Confident80.6Confident2 Ų252.7 Ų52.71%0.01426%0.263CS..  trans-97.8-33.6179.1-650000112.8I145 I159 T161 R295I145-C297 HydrophobicContact CD1-CB 4.27Å; I159-C297 HydrophobicContact CG2-CB 4.45Å; I159-C297 PolarHBondContact O-N 2.86Å; T161-C297 WeakPolarHBondContact CG2-SG 3.3Å; T161-C297 PolarHBondContact N-SG 2.89Å; T161-C297 VanDerWaalsContact N-SG 3.45Å; T161-C297 PolarHBondContact OG1-SG 2.75Å; R295-C297 PolarHBondContact O-N 3.45Å
298Y83.6Confident82.6Confident18 Ų1848 Ų487%0.07124%0.242CC..SBendtrans-138.9155.7-176.4-59.5-63.3000110.2I145 I159 C176 I296 F401I145-Y298 HydrophobicContact CD1-CD2 4.46Å; I145-Y298 HydrophobicContact CD1-CE1 4.46Å; I145-Y298 HydrophobicContact CD1-CE2 3.38Å; I145-Y298 WeakPolarHBondContact CD1-OH 3.11Å; I145-Y298 HydrophobicContact CG1-CE2 4.34Å; I145-Y298 WeakPolarHBondContact CG1-OH 2.77Å; I159-Y298 HydrophobicContact CB-CD2 4.16Å; I159-Y298 HydrophobicContact CD1-CD2 3.95Å; I159-Y298 HydrophobicContact CG2-CD2 4.16Å; I159-Y298 HydrophobicContact CG2-CE2 4.49Å; C176-Y298 HydrophobicContact CB-CE1 4.42Å; I296-Y298 WeakPolarHBondContact CG2-O 3.33Å; Y298-F401 HydrophobicContact CD1-CE1 4.41Å; Y298-F401 HydrophobicContact CD2-CD1 4.4Å; Y298-F401 AromaticContact CD2-CE1 3.49Å; Y298-F401 HydrophobicContact CD2-CE1 3.49Å; Y298-F401 VanDerWaalsContact CD2-CE1 3.49Å; Y298-F401 HydrophobicContact CD2-CZ 4.13Å; Y298-F401 HydrophobicContact CE1-CE1 4.46Å; Y298-F401 HydrophobicContact CE2-CD1 4.17Å; Y298-F401 AromaticContact CE2-CE1 3.49Å; Y298-F401 HydrophobicContact CE2-CE1 3.49Å; Y298-F401 VanDerWaalsContact CE2-CE1 3.49Å; Y298-F401 HydrophobicContact CE2-CZ 4.49Å; Y298-F401 AromaticContact CG-CE1 3.94Å; Y298-F401 HydrophobicContact CG-CE1 3.94Å; Y298-F401 HydrophobicContact CG-CZ 4.18Å
299P86.8Confident84Confident40 Ų4046 Ų4626%0.2623%0.225SC..PPolyproline II helixtrans-49.1142.9167.3-25.334.7000111.3Y125 L301 I397Y125-P299 HydrophobicContact CE1-CB 4.33Å; Y125-P299 WeakPolarHBondContact OH-CB 3.38Å; Y125-P299 WeakPolarHBondContact OH-CG 3.49Å; P299-L301 PolarHBondContact O-N 2.78Å; P299-I397 HydrophobicContact CG-CD1 4.44Å
300P89.1Confident85.4Confident14 Ų1448.9 Ų48.99%0.09124%0.24CC..PPolyproline II helixtrans-51.1130176.1-25.333000111.5Y125 L158Y125-P300 HydrophobicContact CD1-CG 3.63Å; Y125-P300 HydrophobicContact CD2-CG 4.24Å; Y125-P300 VanDerWaalsContact CE1-CD 3.47Å; Y125-P300 HydrophobicContact CE1-CG 4.3Å; Y125-P300 HydrophobicContact CG-CG 3.6Å; L158-P300 HydrophobicContact CD2-CB 3.57Å; L158-P300 HydrophobicContact CD2-CG 3.53Å
301L89.8Confident86.3Confident8 Ų845.8 Ų45.84%0.04222%0.216CC..EExtended strand (participates in β ladder)trans-83.1122.1178.4-50.8-175.6000108.9I156 M157 I159 P299 L303 Y306 F401I156-L301 CarbonylContact C-O 3.47Å; I156-L301 WeakPolarHBondContact CA-O 3.4Å; M157-L301 HydrophobicContact CB-CB 4.34Å; M157-L301 PolarHBondContact N-O 3.01Å; M157-L301 PolarHBondContact O-N 3.02Å; I159-L301 HydrophobicContact CD1-CD1 3.88Å; P299-L301 PolarHBondContact O-N 2.78Å; L301-L303 PolarHBondContact O-N 3.45Å; L301-Y306 HydrophobicContact CB-CD2 4.46Å; L301-Y306 HydrophobicContact CB-CE2 4.05Å; L301-Y306 HydrophobicContact CD2-CE2 4.34Å; L301-F401 HydrophobicContact CD1-CD2 3.65Å; L301-F401 HydrophobicContact CD1-CE2 3.6Å; L301-F401 HydrophobicContact CD1-CG 4.38Å; L301-F401 HydrophobicContact CD1-CZ 4.28Å; L301-F401 HydrophobicContact CD2-CD2 4.35Å; L301-F401 HydrophobicContact CD2-CE2 3.45Å; L301-F401 VanDerWaalsContact CD2-CE2 3.45Å; L301-F401 HydrophobicContact CD2-CZ 3.84Å; L301-F401 HydrophobicContact CG-CE2 4.18Å
302I90.7Very high86.5Confident71 Ų7146 Ų4636%0.36422%0.224SC..EExtended strand (participates in β ladder)trans-79.1106.1172.6-61172.4000107.2M128 K304 D305 Y306M128-I302 HydrophobicContact CE-CG1 4.44Å; I302-K304 PolarHBondContact O-N 2.84Å; I302-K304 VanDerWaalsContact O-N 3.12Å; I302-D305 WeakPolarHBondContact CB-OD2 3.24Å; I302-D305 WeakPolarHBondContact O-CB 3.42Å; I302-D305 PolarHBondContact O-N 3.49Å; I302-Y306 VanDerWaalsContact O-CD2 3.3Å; I302-Y306 WeakPolarHBondContact O-CD2 3.29Å
303L90.1Very high86.1Confident0 Ų045.3 Ų45.30%022%0.223CC..G310 helixtrans-59.9-31.2-167.6-73.3170.1000113.4V152 Q155 M157 L301 D305 Y306 L418 L421 V422V152-L303 HydrophobicContact CG1-CD1 4.1Å; Q155-L303 PolarHBondContact O-N 2.87Å; M157-L303 HydrophobicContact CB-CD1 4.34Å; M157-L303 HydrophobicContact CB-CD2 3.77Å; M157-L303 HydrophobicContact CB-CG 4.1Å; M157-L303 HydrophobicContact SD-CD2 4.13Å; L301-L303 PolarHBondContact O-N 3.45Å; L303-D305 PolarHBondContact O-N 2.81Å; L303-Y306 PolarHBondContact O-N 2.88Å; L303-L418 HydrophobicContact CD1-CD2 4.31Å; L303-L418 HydrophobicContact CD2-CD2 4.06Å; L303-L421 HydrophobicContact CB-CB 4.27Å; L303-L421 WeakPolarHBondContact CB-O 3.4Å; L303-L421 HydrophobicContact CD1-CB 3.7Å; L303-L421 HydrophobicContact CD1-CD1 3.79Å; L303-L421 HydrophobicContact CD1-CG 4.39Å; L303-V422 HydrophobicContact CB-CG1 4.49Å; L303-V422 HydrophobicContact CD2-CG1 4.17Å; L303-V422 WeakPolarHBondContact O-CA 3.39Å
304K89.2Confident85Confident138 Ų13845 Ų4560%0.623%0.234SC*.G310 helixtrans-63.7-19176.4-67.1-173.8174.8-174.70114.4I302 Y306 H423I302-K304 PolarHBondContact O-N 2.84Å; I302-K304 VanDerWaalsContact O-N 3.12Å; K304-Y306 VanDerWaalsContact C-N 3.33Å; K304-H423 WeakPolarHBondContact O-CB 3.35Å
305D90.3Very high83.6Confident88 Ų8848 Ų4847%0.47126%0.255SS..G310 helixtrans-94.34.8178.9-56.9-20.8000111.6I302 L303 Y340I302-D305 WeakPolarHBondContact CB-OD2 3.24Å; I302-D305 WeakPolarHBondContact O-CB 3.42Å; I302-D305 PolarHBondContact O-N 3.49Å; L303-D305 PolarHBondContact O-N 2.81Å; D305-Y340 PolarHBondContact O-N 2.85Å
306Y90.6Very high82.1Confident17 Ų1747.7 Ų47.77%0.06726%0.257CS..EExtended strand (participates in β ladder)trans-122.6153.3-178.1-74.5-100.9000111.2L301 I302 L303 K304 L337 S338 P339 R399 F401 V422 H423L301-Y306 HydrophobicContact CB-CD2 4.46Å; L301-Y306 HydrophobicContact CB-CE2 4.05Å; L301-Y306 HydrophobicContact CD2-CE2 4.34Å; I302-Y306 VanDerWaalsContact O-CD2 3.3Å; I302-Y306 WeakPolarHBondContact O-CD2 3.29Å; L303-Y306 PolarHBondContact O-N 2.88Å; K304-Y306 VanDerWaalsContact C-N 3.33Å; Y306-L337 HydrophobicContact CD1-CB 4.07Å; Y306-S338 CarbonylContact C-O 3.58Å; Y306-S338 VanDerWaalsContact CA-O 3.24Å; Y306-S338 WeakPolarHBondContact CA-O 3.44Å; Y306-S338 WeakPolarHBondContact CD1-O 3.48Å; Y306-P339 HydrophobicContact CE1-CB 4.36Å; Y306-R399 WeakPolarHBondContact CE1-O 2.95Å; Y306-F401 HydrophobicContact CE1-CD2 4.15Å; Y306-F401 HydrophobicContact CE1-CE2 4.21Å; Y306-V422 WeakPolarHBondContact O-CB 3.49Å; Y306-H423 WeakPolarHBondContact O-CB 3.48Å; Y306-H423 PolarHBondContact O-N 3.03Å
307I90Very high80.4Confident9 Ų950.9 Ų50.95%0.04628%0.278CS..EExtended strand (participates in β ladder)trans-108.6142.5168.7-65.2161.1000108.3E309 L337 S338 Y340 Y425I307-E309 HydrophobicContact CG2-CG 4.33Å; I307-L337 WeakPolarHBondContact O-CA 3.3Å; I307-S338 PolarHBondContact N-O 2.83Å; I307-S338 PolarHBondContact O-N 2.86Å; I307-Y340 HydrophobicContact CD1-CD2 3.45Å; I307-Y340 VanDerWaalsContact CD1-CD2 3.45Å; I307-Y340 HydrophobicContact CD1-CE2 4.27Å; I307-Y340 HydrophobicContact CD1-CG 4.3Å; I307-Y340 HydrophobicContact CG1-CD2 3.95Å; I307-Y340 HydrophobicContact CG1-CG 4.46Å; I307-Y425 HydrophobicContact CD1-CE1 3.98Å; I307-Y425 HydrophobicContact CD1-CE2 3.8Å; I307-Y425 VanDerWaalsContact CD1-CZ 3.42Å; I307-Y425 VanDerWaalsContact CD1-OH 3.32Å; I307-Y425 WeakPolarHBondContact CD1-OH 3.5Å; I307-Y425 HydrophobicContact CG1-CE2 4.29Å; I307-Y425 HydrophobicContact CG2-CD2 4.1Å; I307-Y425 HydrophobicContact CG2-CE2 3.49Å; I307-Y425 VanDerWaalsContact CG2-CE2 3.49Å
308L90.3Very high78.5Confident29 Ų2955.3 Ų55.315%0.15231%0.308CS..EExtended strand (participates in β ladder)trans-99.7123.3171.7-179.568.9000110.9F335 L337 I415 L418 V422L308-F335 HydrophobicContact CD1-CD2 3.74Å; L308-F335 HydrophobicContact CD1-CE2 4.46Å; L308-L337 HydrophobicContact CB-CD2 3.95Å; L308-L337 HydrophobicContact CD1-CD2 3.73Å; L308-L337 HydrophobicContact CD1-CG 4.3Å; L308-L337 HydrophobicContact CG-CD2 4.46Å; L308-I415 HydrophobicContact CD2-CB 4.32Å; L308-I415 HydrophobicContact CD2-CG1 4.4Å; L308-I415 HydrophobicContact CD2-CG2 3.99Å; L308-L418 HydrophobicContact CD1-CD1 4.41Å; L308-L418 HydrophobicContact CD2-CB 3.87Å; L308-V422 HydrophobicContact CB-CB 4.49Å; L308-V422 HydrophobicContact CB-CG1 4.29Å; L308-V422 HydrophobicContact CB-CG2 3.81Å
309E87.3Confident76.8Confident70 Ų7059.2 Ų59.233%0.32733%0.334SS..EExtended strand (participates in β ladder)trans-112.2122.6174.1-70.2168.9-158.500109.7I307 F335 K336 S338I307-E309 HydrophobicContact CG2-CG 4.33Å; E309-F335 WeakPolarHBondContact O-CA 3.3Å; E309-K336 HydrophobicContact CB-CB 4.33Å; E309-K336 PolarHBondContact N-O 2.7Å; E309-K336 PolarHBondContact O-N 2.93Å; E309-S338 PolarHBondContact OE1-OG 3.18Å
310D88.3Confident75Confident97 Ų9758.2 Ų58.252%0.51933%0.327SS..EExtended strand (participates in β ladder)trans-84.4111.9170.7-172.4-8.9000109.2K411 I415D310-K411 WeakPolarHBondContact OD1-CE 3.39Å; D310-K411 IonicContact OD1-NZ 2.68Å; D310-K411 PolarHBondContact OD1-NZ 2.9Å; D310-I415 HydrophobicContact CB-CD1 3.84Å; D310-I415 VanDerWaalsContact OD2-CD1 3.3Å; D310-I415 WeakPolarHBondContact OD2-CD1 3.35Å
311I84.1Confident72.9Confident18 Ų1862.9 Ų62.99%0.09235%0.35CS..  trans-89.8115.5-179.5-61.7168.2000108.3I320 L334 K336 L402 K411I311-I320 HydrophobicContact CD1-CD1 4.17Å; I311-I320 HydrophobicContact CG2-CD1 4.35Å; I311-L334 HydrophobicContact CB-CB 4.32Å; I311-L334 HydrophobicContact CD1-CB 4.46Å; I311-L334 PolarHBondContact N-O 3.25Å; I311-K336 HydrophobicContact CD1-CB 3.85Å; I311-L402 HydrophobicContact CD1-CD1 3.45Å; I311-L402 VanDerWaalsContact CD1-CD1 3.45Å; I311-K411 PolarHBondContact O-NZ 2.95Å
312A74.3Confident70.9Confident48 Ų4871.9 Ų71.940%0.39739%0.389SS..  trans-69.4145.7174.800000110.8D314 S315A312-D314 PolarHBondContact O-N 3.01Å; A312-S315 PolarHBondContact N-OG 2.95Å; A312-S315 PolarHBondContact O-N 2.83Å; A312-S315 VanDerWaalsContact O-N 3.11Å; A312-S315 PolarHBondContact O-OG 2.96Å
313D68.3Low68.9Low63 Ų6373.1 Ų73.134%0.33739%0.392SS..THydrogen-bonded Turntrans-62.8-27.1-177-60.2-27.5000111.7Q332 N333D313-Q332 WeakPolarHBondContact OD1-CA 3.32Å; D313-N333 PolarHBondContact OD1-N 3.36Å
314D61.3Low66.8Low163 Ų16377.4 Ų77.487%0.87242%0.42SS*.THydrogen-bonded Turntrans-82.4-21.9178.5-57.9-40.4000113.4A312 I316A312-D314 PolarHBondContact O-N 3.01Å; D314-I316 PolarHBondContact O-N 3.49Å
315S56.8Low64.8Low64 Ų6472.4 Ų72.445%0.44840%0.398SS..  trans-103.450.9-168.672.20000111.9A312 P317A312-S315 PolarHBondContact N-OG 2.95Å; A312-S315 PolarHBondContact O-N 2.83Å; A312-S315 VanDerWaalsContact O-N 3.11Å; A312-S315 PolarHBondContact O-OG 2.96Å; S315-P317 WeakPolarHBondContact O-CD 3.3Å
316I54Low62.8Low45 Ų4574 Ų7423%0.23142%0.416CS..  trans-86.897.8179.6-55.4169.8000107.7D314 S318 I320 L321 H331D314-I316 PolarHBondContact O-N 3.49Å; I316-S318 PolarHBondContact O-N 3.08Å; I316-I320 HydrophobicContact CG2-CB 3.81Å; I316-I320 HydrophobicContact CG2-CD1 4.35Å; I316-I320 HydrophobicContact CG2-CG2 4.13Å; I316-L321 HydrophobicContact CG2-CD2 4.49Å; I316-H331 HydrophobicContact CD1-CB 3.42Å; I316-H331 VanDerWaalsContact CD1-CB 3.42Å
317P49.5Very low60.8Low67 Ų6777.5 Ų77.544%0.43544%0.439SS..  trans-57.6144.317024.6-34.1000108.7S315 T319 I320S315-P317 WeakPolarHBondContact O-CD 3.3Å; P317-T319 WeakPolarHBondContact CB-OG1 3.45Å; P317-T319 PolarHBondContact O-N 2.82Å; P317-I320 HydrophobicContact CG-CD1 4.05Å; P317-I320 HydrophobicContact CG-CG1 4.21Å; P317-I320 PolarHBondContact O-N 3.48Å
318S45.1Very low58.9Low94 Ų9485.9 Ų85.966%0.65748%0.478SS*.THydrogen-bonded Turntrans-57.2-9.3177.239.30000114.1I316 L321I316-S318 PolarHBondContact O-N 3.08Å; S318-L321 WeakPolarHBondContact O-CB 3.36Å; S318-L321 PolarHBondContact O-N 2.99Å
319T48Very low56.9Low100 Ų10092.6 Ų92.661%0.61351%0.506SS*.THydrogen-bonded Turntrans-68.7-2916953.80000113.4P317P317-T319 WeakPolarHBondContact CB-OG1 3.45Å; P317-T319 PolarHBondContact O-N 2.82Å
320I48.3Very low55.4Low19 Ų1989.3 Ų89.310%0.09749%0.491CS..G310 helixtrans-79.2-22.2175.1-59173.2000111I311 I316 P317 K322 F323 L402I311-I320 HydrophobicContact CD1-CD1 4.17Å; I311-I320 HydrophobicContact CG2-CD1 4.35Å; I316-I320 HydrophobicContact CG2-CB 3.81Å; I316-I320 HydrophobicContact CG2-CD1 4.35Å; I316-I320 HydrophobicContact CG2-CG2 4.13Å; P317-I320 HydrophobicContact CG-CD1 4.05Å; P317-I320 HydrophobicContact CG-CG1 4.21Å; P317-I320 PolarHBondContact O-N 3.48Å; I320-K322 PolarHBondContact O-N 3.41Å; I320-F323 HydrophobicContact CG2-CD2 4.5Å; I320-F323 WeakPolarHBondContact O-CB 3.24Å; I320-F323 WeakPolarHBondContact O-CD2 3.36Å; I320-F323 PolarHBondContact O-N 3.45Å; I320-L402 HydrophobicContact CG2-CD2 4.15Å
321L44.7Very low54.2Low112 Ų11287.2 Ų87.259%0.58648%0.478SS*.G310 helixtrans-65.5-8.8179.5-64.1174.8000114.3I316 S318I316-L321 HydrophobicContact CG2-CD2 4.49Å; S318-L321 WeakPolarHBondContact O-CB 3.36Å; S318-L321 PolarHBondContact O-N 2.99Å
322K47.3Very low54Low197 Ų19791.4 Ų91.486%0.85750%0.497SS*.G310 helixtrans-89.33.5173.7-72-173.7178.7177.40114I320I320-K322 PolarHBondContact O-N 3.41Å
323F48Very low54.6Low98 Ų9890 Ų9043%0.4348%0.483SS..SBendtrans-90.7153-176.2-79.3-92.6000113.1I320 F325I320-F323 HydrophobicContact CG2-CD2 4.5Å; I320-F323 WeakPolarHBondContact O-CB 3.24Å; I320-F323 WeakPolarHBondContact O-CD2 3.36Å; I320-F323 PolarHBondContact O-N 3.45Å; F323-F325 HydrophobicContact CB-CD2 4.48Å; F323-F325 PolarHBondContact O-N 3.11Å
324P48Very low55.6Low89 Ų8987.1 Ų87.158%0.57847%0.467SS*.SBendtrans-748.7-165.730.5-36.2000115D144 S326D144-P324 HydrophobicContact CB-CG 4.16Å; P324-S326 PolarHBondContact O-N 3.21Å
325F47.1Very low56.9Low34 Ų3479.3 Ų79.315%0.14943%0.426CS..  trans-76.179.6174.3-55.5-67.4000109.4F323 T327 A330 L402F323-F325 HydrophobicContact CB-CD2 4.48Å; F323-F325 PolarHBondContact O-N 3.11Å; F325-T327 PolarHBondContact O-N 3.21Å; F325-A330 HydrophobicContact CB-CB 3.17Å; F325-A330 HydrophobicContact CG-CB 4.15Å; F325-A330 WeakPolarHBondContact O-CB 3.37Å; F325-L402 HydrophobicContact CE2-CD2 4.1Å
326S47.5Very low58.5Low121 Ų12178.2 Ų78.285%0.84641%0.413SS*.  trans-72.216.8-172.7-170.20000114.9P324P324-S326 PolarHBondContact O-N 3.21Å
327T49.6Very low60.2Low90 Ų9076 Ų7655%0.55240%0.402SS*.SBendtrans-123.8144.2-175.263.50000110.5F325 K329 A330F325-T327 PolarHBondContact O-N 3.21Å; T327-K329 PolarHBondContact O-N 3.47Å; T327-K329 VanDerWaalsContact O-N 3.13Å; T327-A330 WeakPolarHBondContact O-CA 3.16Å; T327-A330 WeakPolarHBondContact O-CB 3.33Å; T327-A330 PolarHBondContact O-N 3.09Å
328E48.8Very low62Low185 Ų18573.2 Ų73.286%0.86438%0.383SS*.G310 helixtrans-58-31.2-178.7-68.8171.7164.200113.3A330E328-A330 PolarHBondContact O-N 3.21Å
329K48.5Very low64Low171 Ų17169.8 Ų69.874%0.74336%0.359SS*.G310 helixtrans-70.5-9.2174.1-65.6-174.6179.6179.30114.1T327 H331 Q404T327-K329 PolarHBondContact O-N 3.47Å; T327-K329 VanDerWaalsContact O-N 3.13Å; K329-H331 PolarHBondContact O-N 3.16Å; K329-H331 VanDerWaalsContact O-N 3.16Å; K329-Q404 PolarHBondContact O-NE2 3.05Å; K329-Q404 VanDerWaalsContact O-NE2 3.08Å
330A56.7Low65.7Low0 Ų068 Ų680%034%0.342CS..G310 helixtrans-55.4-27.4175.900000114.6F325 T327 E328 Q404F325-A330 HydrophobicContact CB-CB 3.17Å; F325-A330 HydrophobicContact CG-CB 4.15Å; F325-A330 WeakPolarHBondContact O-CB 3.37Å; T327-A330 WeakPolarHBondContact O-CA 3.16Å; T327-A330 WeakPolarHBondContact O-CB 3.33Å; T327-A330 PolarHBondContact O-N 3.09Å; E328-A330 PolarHBondContact O-N 3.21Å; A330-Q404 PolarHBondContact O-NE2 3.32Å
331H62.8Low67Low54 Ų5473.1 Ų73.125%0.2537%0.365CS..G310 helixtrans-95.13.5-159.4-71.1127.5000113.3I316 K329I316-H331 HydrophobicContact CD1-CB 3.42Å; I316-H331 VanDerWaalsContact CD1-CB 3.42Å; K329-H331 PolarHBondContact O-N 3.16Å; K329-H331 VanDerWaalsContact O-N 3.16Å
332Q79.9Confident67.6Low105 Ų10574.6 Ų74.649%0.49137%0.369SS..SBendtrans-107.4149.7-179.7-66.1-179.4-8.800111.8D313 L334 Q404D313-Q332 WeakPolarHBondContact OD1-CA 3.32Å; Q332-L334 VanDerWaalsContact C-N 3.32Å; Q332-L334 PolarHBondContact O-N 3.25Å; Q332-Q404 PolarHBondContact O-NE2 2.97Å
333N86.6Confident67.6Low19 Ų1971.3 Ų71.310%0.10236%0.36CS..SBendtrans62.736.1173.1-49.3-56.8000113.9D313 A405 L408 K411D313-N333 PolarHBondContact OD1-N 3.36Å; N333-A405 HydrophobicContact CB-CB 4.3Å; N333-A405 WeakPolarHBondContact CB-O 3.38Å; N333-A405 PolarHBondContact O-N 3.13Å; N333-L408 WeakPolarHBondContact OD1-CA 3.23Å; N333-L408 WeakPolarHBondContact OD1-CB 3.43Å; N333-L408 PolarHBondContact OD1-N 3.19Å; N333-L408 VanDerWaalsContact OD1-N 3.07Å; N333-K411 HydrophobicContact CB-CB 4.28Å; N333-K411 HydrophobicContact CB-CD 4.21Å
334L88.2Confident67.2Low2 Ų271.2 Ų71.21%0.0137%0.368CS..EExtended strand (participates in β ladder)trans-88.3143.4178.7-62.7175.3000112.3I311 Q332 L402 F403 Q404 K411I311-L334 HydrophobicContact CB-CB 4.32Å; I311-L334 HydrophobicContact CD1-CB 4.46Å; I311-L334 PolarHBondContact N-O 3.25Å; Q332-L334 VanDerWaalsContact C-N 3.32Å; Q332-L334 PolarHBondContact O-N 3.25Å; L334-L402 HydrophobicContact CB-CD1 4.27Å; L334-L402 HydrophobicContact CD2-CG 4.47Å; L334-F403 WeakPolarHBondContact CA-O 3.25Å; L334-Q404 HydrophobicContact CD2-CB 3.56Å; L334-Q404 HydrophobicContact CD2-CG 3.88Å; L334-K411 WeakPolarHBondContact O-CE 3.34Å; L334-K411 PolarHBondContact O-NZ 3.48Å
335F89.9Confident66.5Low0 Ų076.3 Ų76.30%038%0.381CS..EExtended strand (participates in β ladder)trans-144.9152166.464.8-86.9000109.7L141 L308 E309 F403 A405 K411 W414 I415 L418L141-F335 HydrophobicContact CD1-CE1 4.49Å; L141-F335 HydrophobicContact CD1-CZ 3.77Å; L141-F335 HydrophobicContact CD2-CE1 3.92Å; L141-F335 HydrophobicContact CD2-CZ 4.04Å; L308-F335 HydrophobicContact CD1-CD2 3.74Å; L308-F335 HydrophobicContact CD1-CE2 4.46Å; E309-F335 WeakPolarHBondContact O-CA 3.3Å; F335-F403 HydrophobicContact CD1-CB 4.17Å; F335-F403 HydrophobicContact CD2-CB 4.19Å; F335-F403 HydrophobicContact CD2-CD2 4.13Å; F335-F403 HydrophobicContact CE1-CB 3.68Å; F335-F403 HydrophobicContact CE2-CB 3.71Å; F335-F403 AromaticContact CE2-CD2 3.59Å; F335-F403 HydrophobicContact CE2-CD2 3.59Å; F335-F403 AromaticContact CE2-CG 3.92Å; F335-F403 HydrophobicContact CE2-CG 3.92Å; F335-F403 HydrophobicContact CG-CB 4.41Å; F335-F403 HydrophobicContact CZ-CB 3.44Å; F335-F403 VanDerWaalsContact CZ-CB 3.44Å; F335-F403 HydrophobicContact CZ-CD2 4.11Å; F335-F403 AromaticContact CZ-CG 3.95Å; F335-F403 HydrophobicContact CZ-CG 3.95Å; F335-F403 PolarHBondContact N-O 3.49Å; F335-F403 PolarHBondContact O-N 3.21Å; F335-A405 HydrophobicContact CE1-CB 4.38Å; F335-K411 HydrophobicContact CD1-CG 4.38Å; F335-W414 HydrophobicContact CE1-CB 4.03Å; F335-W414 HydrophobicContact CE1-CG 4.27Å; F335-W414 HydrophobicContact CZ-CB 3.9Å; F335-W414 HydrophobicContact CZ-CD2 4.43Å; F335-W414 HydrophobicContact CZ-CG 4.08Å; F335-I415 HydrophobicContact CB-CD1 4.27Å; F335-I415 HydrophobicContact CB-CG1 4.33Å; F335-I415 HydrophobicContact CG-CG1 4.48Å; F335-L418 HydrophobicContact CE2-CD1 4.05Å
336K89.8Confident65.8Low40 Ų4085.2 Ų85.217%0.17441%0.413CS..EExtended strand (participates in β ladder)trans-121.6138.8-173.2-178.2-174.5176.9-164.50111E309 I311 E400 F401 L402E309-K336 HydrophobicContact CB-CB 4.33Å; E309-K336 PolarHBondContact N-O 2.7Å; E309-K336 PolarHBondContact O-N 2.93Å; I311-K336 HydrophobicContact CD1-CB 3.85Å; K336-E400 WeakPolarHBondContact CE-OE1 3.38Å; K336-E400 WeakPolarHBondContact CE-OE2 3.42Å; K336-E400 IonicContact NZ-OE1 2.8Å; K336-E400 PolarHBondContact NZ-OE1 2.83Å; K336-E400 IonicContact NZ-OE2 2.95Å; K336-E400 PolarHBondContact NZ-OE2 3.44Å; K336-F401 CarbonylContact C-O 3.54Å; K336-F401 VanDerWaalsContact CA-O 3.3Å; K336-F401 WeakPolarHBondContact CA-O 3.26Å; K336-L402 HydrophobicContact CB-CD1 4.18Å
337L90Very high65Low0 Ų088.8 Ų88.80%041%0.414CS..EExtended strand (participates in β ladder)trans-107112164.1-74178000108.6M157 Y306 I307 L308 E400 F401 F403 V422M157-L337 HydrophobicContact CE-CD1 3.99Å; M157-L337 HydrophobicContact SD-CD1 3.5Å; M157-L337 WeakPolarHBondContact SD-CD1 3.42Å; Y306-L337 HydrophobicContact CD1-CB 4.07Å; I307-L337 WeakPolarHBondContact O-CA 3.3Å; L308-L337 HydrophobicContact CB-CD2 3.95Å; L308-L337 HydrophobicContact CD1-CD2 3.73Å; L308-L337 HydrophobicContact CD1-CG 4.3Å; L308-L337 HydrophobicContact CG-CD2 4.46Å; L337-E400 CarbonylContact O-C 3.59Å; L337-E400 WeakPolarHBondContact O-CA 3.4Å; L337-F401 HydrophobicContact CB-CB 4.48Å; L337-F401 PolarHBondContact N-O 2.81Å; L337-F401 PolarHBondContact O-N 3.41Å; L337-F403 HydrophobicContact CB-CE2 4.39Å; L337-F403 HydrophobicContact CD1-CE2 3.95Å; L337-F403 HydrophobicContact CG-CE2 4.27Å; L337-V422 HydrophobicContact CD2-CG1 4Å
338S87.4Confident63.9Low7 Ų790.3 Ų90.35%0.04943%0.428CS..EExtended strand (participates in β ladder)trans-105.2143.6175.248.70000109.7Y306 I307 E309Y306-S338 CarbonylContact C-O 3.58Å; Y306-S338 VanDerWaalsContact CA-O 3.24Å; Y306-S338 WeakPolarHBondContact CA-O 3.44Å; Y306-S338 WeakPolarHBondContact CD1-O 3.48Å; I307-S338 PolarHBondContact N-O 2.83Å; I307-S338 PolarHBondContact O-N 2.86Å; E309-S338 PolarHBondContact OE1-OG 3.18Å
339P87.4Confident62.9Low23 Ų2384.3 Ų84.315%0.14942%0.415CS..EExtended strand (participates in β ladder)trans-66.5137.7173.528.6-32.2000109.8Y306 E341 S398Y306-P339 HydrophobicContact CE1-CB 4.36Å; P339-E341 PolarHBondContact O-N 3.27Å; P339-S398 WeakPolarHBondContact CB-OG 3.47Å; P339-S398 WeakPolarHBondContact CG-OG 3.32Å
340Y83.3Confident61.7Low63 Ų6387.8 Ų87.825%0.24742%0.424CS..  trans-75.1104.6175.8-179-119.8000109.9D305 I307 H342 H423D305-Y340 PolarHBondContact O-N 2.85Å; I307-Y340 HydrophobicContact CD1-CD2 3.45Å; I307-Y340 VanDerWaalsContact CD1-CD2 3.45Å; I307-Y340 HydrophobicContact CD1-CE2 4.27Å; I307-Y340 HydrophobicContact CD1-CG 4.3Å; I307-Y340 HydrophobicContact CG1-CD2 3.95Å; I307-Y340 HydrophobicContact CG1-CG 4.46Å; Y340-H342 AromaticContact CE1-CD2 3.77Å; Y340-H342 AromaticContact CE1-NE2 3.95Å; Y340-H423 AromaticContact CD1-CD2 3.94Å; Y340-H423 AromaticContact CD2-CD2 3.82Å; Y340-H423 AromaticContact CE1-CD2 3.88Å; Y340-H423 AromaticContact CE1-CE1 3.93Å; Y340-H423 AromaticContact CE1-NE2 3.52Å; Y340-H423 AromaticContact CE2-CD2 3.73Å; Y340-H423 AromaticContact CE2-NE2 3.87Å; Y340-H423 AromaticContact CG-CD2 3.9Å; Y340-H423 AromaticContact CZ-CD2 3.75Å; Y340-H423 AromaticContact CZ-NE2 3.42Å
341E75.4Confident60.3Low125 Ų12593.5 Ų93.558%0.58446%0.459SS*.  trans-85115.1171-65-159.516200110.2P339 N343P339-E341 PolarHBondContact O-N 3.27Å; E341-N343 PolarHBondContact O-N 3.2Å
342H57.6Low58.4Low144 Ų14497 Ų9767%0.66749%0.489SS*.  trans-66.476.1163-112.9-64.6000108.6Y340 V344Y340-H342 AromaticContact CE1-CD2 3.77Å; Y340-H342 AromaticContact CE1-NE2 3.95Å; H342-V344 PolarHBondContact O-N 3.08Å
343N47.7Very low56Low128 Ų12897.9 Ų97.968%0.68450%0.502SS*.  trans-72.474164.2-84.9-44.4000107.8E341 K345E341-N343 PolarHBondContact O-N 3.2Å; N343-K345 PolarHBondContact O-N 2.83Å
344V38.1Very low53Low96 Ų96106.8 Ų106.858%0.58254%0.54SS*.  trans-59100.6154.9-178.70000104.2H342 R346H342-V344 PolarHBondContact O-N 3.08Å; V344-R346 HydrophobicContact CG1-CG 3.88Å; V344-R346 PolarHBondContact O-N 3.4Å
345K35.2Very low50Low195 Ų195115.8 Ų115.885%0.84858%0.582SS**  trans-56.381.1160.9-72.5178.6178.9173.40106.5N343 K347N343-K345 PolarHBondContact O-N 2.83Å; K345-K347 PolarHBondContact O-N 2.96Å
346R30.8Very low46.8Very low222 Ų222120.3 Ų120.384%0.83861%0.613SS**  trans-67.286.6161.3-71-170-174160.32.3104.4V344 S348V344-R346 HydrophobicContact CG1-CG 3.88Å; V344-R346 PolarHBondContact O-N 3.4Å; R346-S348 VanDerWaalsContact C-N 3.3Å; R346-S348 PolarHBondContact O-N 3.05Å
347K31Very low43.7Very low196 Ų196125.4 Ų125.485%0.85264%0.642SS**  trans-49.5110154.5-78.3-175.8175.4178.40104.1K345 G349K345-K347 PolarHBondContact O-N 2.96Å; K347-G349 PolarHBondContact O-N 2.88Å
348S27.2Very low40.6Very low121 Ų121133.3 Ų133.385%0.84668%0.684SS**  trans-64.572.5173.5162.70000108.2R346R346-S348 VanDerWaalsContact C-N 3.3Å; R346-S348 PolarHBondContact O-N 3.05Å
349G28.2Very low37.6Very low59 Ų59141 Ų14161%0.60872%0.724SS**  trans-85.9103.9158.200000106.2K347 T351K347-G349 PolarHBondContact O-N 2.88Å; G349-T351 VanDerWaalsContact C-N 3.34Å; G349-T351 PolarHBondContact O-N 3Å
350R23.3Very low34.6Very low244 Ų244149 Ų14992%0.92176%0.759SS**  trans-67.686.7179.6-175.9-177.3-172.9170.61.1109.3
351T27.2Very low31.7Very low121 Ų121149.7 Ų149.774%0.74277%0.773SS**  trans-135.299.6164.539.50000109.2G349 V353G349-T351 VanDerWaalsContact C-N 3.34Å; G349-T351 PolarHBondContact O-N 3Å; T351-V353 PolarHBondContact O-N 3.44Å
352S23Very low29.3Very low126 Ų126154.4 Ų154.488%0.88179%0.787SS**  trans-64.899.7170.155.20000109.3
353V28.1Very low27.7Very low125 Ų125157.2 Ų157.276%0.75880%0.8SS**  trans-125121.5164.2-178.50000107.7T351 Q355T351-V353 PolarHBondContact O-N 3.44Å; V353-Q355 PolarHBondContact O-N 2.85Å
354K24.2Very low26.5Very low206 Ų206160.4 Ų160.490%0.89681%0.808SS**  trans-63.4109.1-179.4-65.6171.4177.4175.70108.9
355Q26Very low25.9Very low191 Ų191163.6 Ų163.689%0.89382%0.82SS**  trans-113.590.4160.1-102.5174.7-2100108.4V353V353-Q355 PolarHBondContact O-N 2.85Å
356S22.9Very low25.6Very low94 Ų94162.4 Ų162.466%0.65782%0.821SS**  trans-65.4123.5146.647.70000107.6
357N23.8Very low25.4Very low147 Ų147156.7 Ų156.779%0.78682%0.815SS**  trans161.8137.4136.2-79.2-20.9000111.8
358L24.4Very low25.1Very low166 Ų166158.9 Ų158.987%0.86982%0.818SS**  trans74.683.4156.1-64.9163.5000118.9
359L24.6Very low25.2Very low170 Ų170162.9 Ų162.989%0.8982%0.82SS**  trans-156.271.8132.5-118.6159.3000110.2
360H24.3Very low25Very low191 Ų191165.2 Ų165.288%0.88483%0.827SS**  trans-96.3136.8159.3-101.2-43000108.3
361S22.8Very low25.2Very low77 Ų77165.1 Ų165.154%0.53883%0.827SS.*  trans123.7101.8173.8-171.60000106.3
362Y24.1Very low25Very low224 Ų224168.1 Ų168.188%0.87883%0.832SS**SBend-148.999.960-66.3-97.1000110.2
363E24.3Very low25.2Very low202 Ų202170 Ų17094%0.94483%0.831SS**  trans-147.369.9167.9-145.4-178.1-155.400109.3
364K24Very low24.9Very low196 Ų196174.4 Ų174.485%0.85283%0.834SS**  trans-156.7104170.7-138.7176.8-171.6176.60108.2
365I24.6Very low24.8Very low163 Ų163176.2 Ų176.284%0.83684%0.835SS**  trans168.694.3146.5-76.8142.4000104
366I29.8Very low24.9Very low170 Ų170176.3 Ų176.387%0.87283%0.833SS**  -153.9110.7129.4-88.2143.7000105.3
367S25.2Very low24.7Very low102 Ų102177 Ų17771%0.71384%0.838SS**  trans-60.2138.4178.8171.20000111.5K369S367-K369 PolarHBondContact O-N 3.28Å
368R24.7Very low24.8Very low241 Ų241175.7 Ų175.791%0.90984%0.84SS**  trans-37.9118.4157.3-71.8167.6170.7150.4-4.3111.3
369K29.5Very low24.6Very low206 Ų206172.9 Ų172.990%0.89684%0.835SS**  trans-134.5106140.5-83.5-167.4177.9177.50108.3S367S367-K369 PolarHBondContact O-N 3.28Å
370S24.1Very low24.7Very low108 Ų108170.1 Ų170.176%0.75583%0.83SS**  trans-55.4131.8168.9-164.70000110.5
371R27.7Very low24.6Very low241 Ų241169.1 Ų169.191%0.90983%0.83SS**  trans-168.1113.9141.7-103.9168.7-158.1-162.84.9109.5
372E22.4Very low24.8Very low184 Ų184172.2 Ų172.286%0.8685%0.845SS**  trans-52.8129.5172.7-59162.7135.700111.2
373I27.7Very low24.8Very low166 Ų166166.3 Ų166.385%0.85184%0.837SS**  trans-131.4128.5150.2-60.9-178.9000107.4
374R22.8Very low24.8Very low217 Ų217163.9 Ų163.982%0.81983%0.83SS**  trans-58.9140-161.7-72.9168.5-178.5162.4-0.4114.3
375W21.8Very low24.8Very low244 Ų244166 Ų16692%0.92483%0.833SS**  trans-69.5131159-68.370.6000109.6
376F26.7Very low24.6Very low193 Ų193165.3 Ų165.385%0.84684%0.837SS**  trans-109.4117.7155.7-85.9-75.1000109.5
377S19.8Very low24.4Very low108 Ų108161.5 Ų161.576%0.75583%0.825SS**  trans-60.8142.2170.7-50.10000112
378S25.8Very low24.3Very low120 Ų120161.5 Ų161.584%0.83983%0.825SS**  trans-160.6116.6139.3-87.20000110.2
379S20.8Very low24.4Very low108 Ų108158.1 Ų158.176%0.75582%0.824SS**  trans-32.3140.5162.348.60000116.7
380S26.3Very low24.1Very low112 Ų112155.1 Ų155.178%0.78382%0.817SS**  -168.5123120.356.70000110.3
381L21.4Very low24Very low169 Ų169161.8 Ų161.889%0.88583%0.826SS**  trans-65127.5173.1-65.288.3000110.3
382T28.5Very low23.9Very low142 Ų142158 Ų15887%0.87182%0.816SS**  trans-143.4142.8143.858.90000109.7
383S23.6Very low24.1Very low100 Ų100153.4 Ų153.470%0.69980%0.804SS**  trans-77.1154.9-156.957.50000115.6
384N22.7Very low24.4Very low151 Ų151151.6 Ų151.681%0.80780%0.803SS**  trans51.590.2134.3-59.1-9000118.6
385R24.1Very low25Very low240 Ų240148.7 Ų148.791%0.90680%0.797SS**  -16197.5120.7-122.5175.7178.5-170.30.2110.6S387R385-S387 VanDerWaalsContact C-N 3.25Å; R385-S387 PolarHBondContact O-N 3.13Å
386T21.7Very low26.1Very low150 Ų150143.3 Ų143.392%0.9279%0.791SS**  trans-70.178.7167.549.60000109.5
387S24.9Very low27.2Very low90 Ų90137.6 Ų137.663%0.62977%0.768SS**  trans-98.497.6157.459.70000107.1R385 L389R385-S387 VanDerWaalsContact C-N 3.25Å; R385-S387 PolarHBondContact O-N 3.13Å; S387-L389 PolarHBondContact O-N 3.33Å
388S24.2Very low29Very low101 Ų101135.6 Ų135.671%0.70675%0.754SS**  trans0.790.515847.10000113.6L390S388-L390 PolarHBondContact O-N 3.17Å
389L25.4Very low31.1Very low171 Ų171134 Ų13490%0.89573%0.73SS**  trans-65.382159.6-74.2166.3000105.6S387 R391S387-L389 PolarHBondContact O-N 3.33Å; L389-R391 PolarHBondContact O-N 2.92Å
390L23.9Very low34.2Very low143 Ų143134.4 Ų134.475%0.74972%0.72SS**  trans-50.1100.3161-89.3155.6000104.8S388 K392S388-L390 PolarHBondContact O-N 3.17Å; L390-K392 PolarHBondContact O-N 2.8Å
391R22.8Very low37.1Very low248 Ų248129.5 Ų129.594%0.93669%0.685SS**  trans-59.677.4172.3-162.9179-167.4177.52.5105.6L389 S393L389-R391 PolarHBondContact O-N 2.92Å; R391-S393 VanDerWaalsContact C-N 3.35Å; R391-S393 PolarHBondContact O-N 2.68Å
392K25.3Very low40.2Very low162 Ų162122.7 Ų122.770%0.70465%0.649SS**  trans-62.1107.2173.6-75.2176.8-179172.50103.3L390L390-K392 PolarHBondContact O-N 2.8Å
393S26.6Very low43.2Very low87 Ų87115.9 Ų115.961%0.60861%0.607SS**  trans-41.2143.816046.70000107.7R391 K395R391-S393 VanDerWaalsContact C-N 3.35Å; R391-S393 PolarHBondContact O-N 2.68Å; S393-K395 PolarHBondContact O-N 2.8Å
394P33.9Very low46.3Very low127 Ų127112.7 Ų112.783%0.82558%0.581SS**  trans-56.6102.217424.1-30.4000105.3T396P394-T396 VanDerWaalsContact C-N 3.28Å; P394-T396 PolarHBondContact O-N 2.67Å
395K35.6Very low49.5Very low157 Ų157105.6 Ų105.668%0.68354%0.544SS*.  trans-59.2106176.5-74.6-177.3175.5-170.80102.7S393 I397S393-K395 PolarHBondContact O-N 2.8Å; K395-I397 WeakPolarHBondContact O-CG1 3.48Å; K395-I397 PolarHBondContact O-N 2.86Å
396T43.7Very low52.6Low131 Ų13197.9 Ų97.980%0.80453%0.526SS*.  trans-42.2115.3159.727.50000104P394 S398P394-T396 VanDerWaalsContact C-N 3.28Å; P394-T396 PolarHBondContact O-N 2.67Å; T396-S398 PolarHBondContact O-N 2.77Å
397I50.1Low55.8Low72 Ų7292.7 Ų92.737%0.36950%0.496SS..  trans-72.381.7-176.1-66.3174000103.8P299 K395 R399P299-I397 HydrophobicContact CG-CD1 4.44Å; K395-I397 WeakPolarHBondContact O-CG1 3.48Å; K395-I397 PolarHBondContact O-N 2.86Å; I397-R399 HydrophobicContact CG2-CB 3.87Å; I397-R399 HydrophobicContact CG2-CG 3.29Å; I397-R399 PolarHBondContact O-N 2.79Å
398S57.6Low58.8Low67 Ų6792.4 Ų92.447%0.46949%0.487SS..  trans-66.983171.4-170.60000104.7P339 T396P339-S398 WeakPolarHBondContact CB-OG 3.47Å; P339-S398 WeakPolarHBondContact CG-OG 3.32Å; T396-S398 PolarHBondContact O-N 2.77Å
399R71Confident61.9Low85 Ų8594.9 Ų94.932%0.32149%0.488SS..  trans-115.7137.7-177.8-92-177.2-164.71719107.9Y306 I397 F401Y306-R399 WeakPolarHBondContact CE1-O 2.95Å; I397-R399 HydrophobicContact CG2-CB 3.87Å; I397-R399 HydrophobicContact CG2-CG 3.29Å; I397-R399 PolarHBondContact O-N 2.79Å; R399-F401 HydrophobicContact CB-CE2 4.08Å; R399-F401 HydrophobicContact CB-CZ 4.06Å; R399-F401 WeakPolarHBondContact O-CD2 3.32Å; R399-F401 WeakPolarHBondContact O-CE2 3.48Å
400E84.1Confident64.9Low117 Ų11786.9 Ų86.955%0.54745%0.446SS..  trans-78.8138.8168.2-55.5-173.1141.400109.2K336 L337K336-E400 WeakPolarHBondContact CE-OE1 3.38Å; K336-E400 WeakPolarHBondContact CE-OE2 3.42Å; K336-E400 IonicContact NZ-OE1 2.8Å; K336-E400 PolarHBondContact NZ-OE1 2.83Å; K336-E400 IonicContact NZ-OE2 2.95Å; K336-E400 PolarHBondContact NZ-OE2 3.44Å; L337-E400 CarbonylContact O-C 3.59Å; L337-E400 WeakPolarHBondContact O-CA 3.4Å
401F87.2Confident68.1Low10 Ų1080.4 Ų80.44%0.04441%0.411CS..EExtended strand (participates in β ladder)trans-118.7124.9174.7-63.6-82.7000109.6I159 Y298 L301 Y306 K336 L337 R399 F403I159-F401 HydrophobicContact CD1-CD1 3.84Å; I159-F401 HydrophobicContact CD1-CE1 3.91Å; I159-F401 HydrophobicContact CD1-CG 4.26Å; I159-F401 HydrophobicContact CD1-CZ 4.37Å; Y298-F401 HydrophobicContact CD1-CE1 4.41Å; Y298-F401 HydrophobicContact CD2-CD1 4.4Å; Y298-F401 AromaticContact CD2-CE1 3.49Å; Y298-F401 HydrophobicContact CD2-CE1 3.49Å; Y298-F401 VanDerWaalsContact CD2-CE1 3.49Å; Y298-F401 HydrophobicContact CD2-CZ 4.13Å; Y298-F401 HydrophobicContact CE1-CE1 4.46Å; Y298-F401 HydrophobicContact CE2-CD1 4.17Å; Y298-F401 AromaticContact CE2-CE1 3.49Å; Y298-F401 HydrophobicContact CE2-CE1 3.49Å; Y298-F401 VanDerWaalsContact CE2-CE1 3.49Å; Y298-F401 HydrophobicContact CE2-CZ 4.49Å; Y298-F401 AromaticContact CG-CE1 3.94Å; Y298-F401 HydrophobicContact CG-CE1 3.94Å; Y298-F401 HydrophobicContact CG-CZ 4.18Å; L301-F401 HydrophobicContact CD1-CD2 3.65Å; L301-F401 HydrophobicContact CD1-CE2 3.6Å; L301-F401 HydrophobicContact CD1-CG 4.38Å; L301-F401 HydrophobicContact CD1-CZ 4.28Å; L301-F401 HydrophobicContact CD2-CD2 4.35Å; L301-F401 HydrophobicContact CD2-CE2 3.45Å; L301-F401 VanDerWaalsContact CD2-CE2 3.45Å; L301-F401 HydrophobicContact CD2-CZ 3.84Å; L301-F401 HydrophobicContact CG-CE2 4.18Å; Y306-F401 HydrophobicContact CE1-CD2 4.15Å; Y306-F401 HydrophobicContact CE1-CE2 4.21Å; K336-F401 CarbonylContact C-O 3.54Å; K336-F401 VanDerWaalsContact CA-O 3.3Å; K336-F401 WeakPolarHBondContact CA-O 3.26Å; L337-F401 HydrophobicContact CB-CB 4.48Å; L337-F401 PolarHBondContact N-O 2.81Å; L337-F401 PolarHBondContact O-N 3.41Å; R399-F401 HydrophobicContact CB-CE2 4.08Å; R399-F401 HydrophobicContact CB-CZ 4.06Å; R399-F401 WeakPolarHBondContact O-CD2 3.32Å; R399-F401 WeakPolarHBondContact O-CE2 3.48Å; F401-F403 HydrophobicContact CB-CD2 4.22Å; F401-F403 HydrophobicContact CB-CE2 3.38Å; F401-F403 HydrophobicContact CB-CZ 3.56Å; F401-F403 HydrophobicContact CD1-CZ 4.46Å; F401-F403 HydrophobicContact CG-CE2 4.34Å; F401-F403 HydrophobicContact CG-CZ 4.14Å
402L87.7Confident71.3Confident25 Ų2574.6 Ų74.613%0.13139%0.393CS..EExtended strand (participates in β ladder)trans-104.5121.5172.2-176.564.8000108.5I311 I320 F325 L334 K336I311-L402 HydrophobicContact CD1-CD1 3.45Å; I311-L402 VanDerWaalsContact CD1-CD1 3.45Å; I320-L402 HydrophobicContact CG2-CD2 4.15Å; F325-L402 HydrophobicContact CE2-CD2 4.1Å; L334-L402 HydrophobicContact CB-CD1 4.27Å; L334-L402 HydrophobicContact CD2-CG 4.47Å; K336-L402 HydrophobicContact CB-CD1 4.18Å
403F90.6Very high74.3Confident0 Ų068.7 Ų68.70%037%0.367CS..EExtended strand (participates in β ladder)trans-113.7140.4-179.7-61.9-78.7000110.7L141 H142 T143 V150 M157 I159 L334 F335 L337 F401L141-F403 HydrophobicContact CB-CD1 4.11Å; L141-F403 HydrophobicContact CD1-CB 4.24Å; L141-F403 HydrophobicContact CD1-CD1 3.86Å; L141-F403 HydrophobicContact CD1-CG 4.13Å; H142-F403 WeakPolarHBondContact O-CA 3.45Å; T143-F403 HydrophobicContact CG2-CD1 3.33Å; T143-F403 HydrophobicContact CG2-CE1 3.49Å; T143-F403 VanDerWaalsContact CG2-CE1 3.49Å; T143-F403 HydrophobicContact CG2-CG 4.37Å; V150-F403 HydrophobicContact CG2-CE1 4.32Å; M157-F403 HydrophobicContact CE-CE1 4.13Å; M157-F403 HydrophobicContact CE-CE2 3.81Å; M157-F403 HydrophobicContact CE-CZ 3.57Å; I159-F403 HydrophobicContact CD1-CE1 4.03Å; I159-F403 HydrophobicContact CD1-CZ 3.66Å; I159-F403 HydrophobicContact CG1-CE1 4.37Å; I159-F403 HydrophobicContact CG1-CZ 4.27Å; L334-F403 WeakPolarHBondContact CA-O 3.25Å; F335-F403 HydrophobicContact CD1-CB 4.17Å; F335-F403 HydrophobicContact CD2-CB 4.19Å; F335-F403 HydrophobicContact CD2-CD2 4.13Å; F335-F403 HydrophobicContact CE1-CB 3.68Å; F335-F403 HydrophobicContact CE2-CB 3.71Å; F335-F403 AromaticContact CE2-CD2 3.59Å; F335-F403 HydrophobicContact CE2-CD2 3.59Å; F335-F403 AromaticContact CE2-CG 3.92Å; F335-F403 HydrophobicContact CE2-CG 3.92Å; F335-F403 HydrophobicContact CG-CB 4.41Å; F335-F403 HydrophobicContact CZ-CB 3.44Å; F335-F403 VanDerWaalsContact CZ-CB 3.44Å; F335-F403 HydrophobicContact CZ-CD2 4.11Å; F335-F403 AromaticContact CZ-CG 3.95Å; F335-F403 HydrophobicContact CZ-CG 3.95Å; F335-F403 PolarHBondContact N-O 3.49Å; F335-F403 PolarHBondContact O-N 3.21Å; L337-F403 HydrophobicContact CB-CE2 4.39Å; L337-F403 HydrophobicContact CD1-CE2 3.95Å; L337-F403 HydrophobicContact CG-CE2 4.27Å; F401-F403 HydrophobicContact CB-CD2 4.22Å; F401-F403 HydrophobicContact CB-CE2 3.38Å; F401-F403 HydrophobicContact CB-CZ 3.56Å; F401-F403 HydrophobicContact CD1-CZ 4.46Å; F401-F403 HydrophobicContact CG-CE2 4.34Å; F401-F403 HydrophobicContact CG-CZ 4.14Å
404Q89.7Confident77.4Confident33 Ų3364.6 Ų64.615%0.15434%0.339CS..EExtended strand (participates in β ladder)trans-111119.9170.1-173.9-177.619.500109.7H142 K329 A330 Q332 L334H142-Q404 HydrophobicContact CB-CB 4.12Å; H142-Q404 PolarHBondContact N-O 3.02Å; H142-Q404 PolarHBondContact O-N 2.95Å; K329-Q404 PolarHBondContact O-NE2 3.05Å; K329-Q404 VanDerWaalsContact O-NE2 3.08Å; A330-Q404 PolarHBondContact O-NE2 3.32Å; Q332-Q404 PolarHBondContact O-NE2 2.97Å; L334-Q404 HydrophobicContact CD2-CB 3.56Å; L334-Q404 HydrophobicContact CD2-CG 3.88Å
405A90Very high80.1Confident2 Ų259.5 Ų59.52%0.01730%0.304CS..  trans-83.3153.4174.500000111.4L141 N333 F335 S407 D410 K411L141-A405 HydrophobicContact CD2-CB 4.1Å; N333-A405 HydrophobicContact CB-CB 4.3Å; N333-A405 WeakPolarHBondContact CB-O 3.38Å; N333-A405 PolarHBondContact O-N 3.13Å; F335-A405 HydrophobicContact CE1-CB 4.38Å; A405-S407 PolarHBondContact O-N 2.83Å; A405-D410 HydrophobicContact CB-CB 4.27Å; A405-K411 HydrophobicContact CB-CB 3.8Å
406S88.5Confident82.6Confident78 Ų7854.5 Ų54.555%0.54529%0.287SS..SBendtrans-68.2-20.8-178-49.20000113.8
407S89.8Confident84.8Confident41 Ų4148.3 Ų48.329%0.28725%0.249SC..SBendtrans-157163.6178.566.90000111.5A405 Q409 D410 K411A405-S407 PolarHBondContact O-N 2.83Å; S407-Q409 VanDerWaalsContact C-N 3.27Å; S407-Q409 PolarHBondContact O-N 2.8Å; S407-D410 WeakPolarHBondContact O-CB 3.45Å; S407-D410 PolarHBondContact O-N 3.22Å; S407-D410 WeakPolarHBondContact OG-CB 3.01Å; S407-D410 PolarHBondContact OG-N 2.99Å; S407-D410 VanDerWaalsContact OG-N 3.15Å; S407-K411 PolarHBondContact O-N 2.84Å
408L87.4Confident86.7Confident84 Ų8444.9 Ų44.944%0.4423%0.231SC..Hα-helixtrans-60.2-37175.7-178.361.6000112.8N333 D410 K411 K412N333-L408 WeakPolarHBondContact OD1-CA 3.23Å; N333-L408 WeakPolarHBondContact OD1-CB 3.43Å; N333-L408 PolarHBondContact OD1-N 3.19Å; N333-L408 VanDerWaalsContact OD1-N 3.07Å; L408-D410 VanDerWaalsContact C-N 3.31Å; L408-K411 PolarHBondContact O-N 2.94Å; L408-K412 WeakPolarHBondContact O-CG 3.4Å; L408-K412 PolarHBondContact O-N 3.4Å
409Q88.9Confident88.2Confident153 Ų15345.4 Ų45.472%0.71523%0.232SC*.Hα-helixtrans-66.9-36.8176.2-66.3-177.30.200111.5S407 F413S407-Q409 VanDerWaalsContact C-N 3.27Å; S407-Q409 PolarHBondContact O-N 2.8Å; Q409-F413 WeakPolarHBondContact O-CB 3.39Å; Q409-F413 PolarHBondContact O-N 3.01Å
410D89Confident89.1Confident2 Ų245.6 Ų45.61%0.01124%0.244CC..Hα-helixtrans-69.8-44176.1-167.146.8000111.4R220 A405 S407 L408 K412 F413 W414R220-D410 WeakPolarHBondContact CD-OD1 3.43Å; R220-D410 IonicContact CZ-OD1 2.97Å; R220-D410 IonicContact NE-OD1 2.87Å; R220-D410 PolarHBondContact NE-OD1 2.95Å; R220-D410 IonicContact NH1-OD1 3.41Å; R220-D410 PolarHBondContact NH1-OD1 2.87Å; R220-D410 IonicContact NH2-OD1 2.86Å; R220-D410 PolarHBondContact NH2-OD1 2.87Å; A405-D410 HydrophobicContact CB-CB 4.27Å; S407-D410 WeakPolarHBondContact O-CB 3.45Å; S407-D410 PolarHBondContact O-N 3.22Å; S407-D410 WeakPolarHBondContact OG-CB 3.01Å; S407-D410 PolarHBondContact OG-N 2.99Å; S407-D410 VanDerWaalsContact OG-N 3.15Å; L408-D410 VanDerWaalsContact C-N 3.31Å; D410-K412 PolarHBondContact O-N 3.06Å; D410-F413 WeakPolarHBondContact O-CA 3.41Å; D410-F413 VanDerWaalsContact O-CB 3.28Å; D410-F413 WeakPolarHBondContact O-CB 3.32Å; D410-F413 PolarHBondContact O-N 2.86Å; D410-W414 PolarHBondContact O-N 3.06Å; D410-W414 PolarHBondContact OD2-NE1 2.68Å
411K90.6Very high89.3Confident7 Ų741.5 Ų41.53%0.0323%0.226CC..Hα-helixtrans-54-51.7172.2172.8172.7169.8-178.50111.8D310 I311 N333 L334 F335 A405 S407 L408 F413 W414 I415D310-K411 WeakPolarHBondContact OD1-CE 3.39Å; D310-K411 IonicContact OD1-NZ 2.68Å; D310-K411 PolarHBondContact OD1-NZ 2.9Å; I311-K411 PolarHBondContact O-NZ 2.95Å; N333-K411 HydrophobicContact CB-CB 4.28Å; N333-K411 HydrophobicContact CB-CD 4.21Å; L334-K411 WeakPolarHBondContact O-CE 3.34Å; L334-K411 PolarHBondContact O-NZ 3.48Å; F335-K411 HydrophobicContact CD1-CG 4.38Å; A405-K411 HydrophobicContact CB-CB 3.8Å; S407-K411 PolarHBondContact O-N 2.84Å; L408-K411 PolarHBondContact O-N 2.94Å; K411-F413 PolarHBondContact O-N 3.46Å; K411-F413 VanDerWaalsContact O-N 3.17Å; K411-W414 PolarHBondContact O-N 3.06Å; K411-I415 HydrophobicContact CD-CD1 4.31Å; K411-I415 HydrophobicContact CG-CD1 3.65Å; K411-I415 HydrophobicContact CG-CG1 4.35Å; K411-I415 WeakPolarHBondContact O-CG1 3.16Å; K411-I415 PolarHBondContact O-N 2.72Å
412K89.7Confident89.5Confident127 Ų12741.8 Ų41.855%0.55223%0.228SC*.Hα-helixtrans-56.7-34.1178-75.8179.8179.8-176.30112.2L408 D410 T416L408-K412 WeakPolarHBondContact O-CG 3.4Å; L408-K412 PolarHBondContact O-N 3.4Å; D410-K412 PolarHBondContact O-N 3.06Å; K412-T416 VanDerWaalsContact O-CB 3.29Å; K412-T416 WeakPolarHBondContact O-CB 2.82Å; K412-T416 PolarHBondContact O-N 2.91Å; K412-T416 PolarHBondContact O-OG1 3.37Å
413F87.9Confident89.4Confident38 Ų3843 Ų4317%0.16723%0.233CC..Hα-helixtrans-73.4-45.7179.5-175.4-116000112.9L137 S222 Q409 D410 K411 T417L137-F413 HydrophobicContact CD1-CD1 4.06Å; L137-F413 HydrophobicContact CD1-CE1 3.54Å; L137-F413 HydrophobicContact CD2-CD1 4.47Å; S222-F413 WeakPolarHBondContact OG-CE2 3.4Å; S222-F413 WeakPolarHBondContact OG-CZ 3.12Å; Q409-F413 WeakPolarHBondContact O-CB 3.39Å; Q409-F413 PolarHBondContact O-N 3.01Å; D410-F413 WeakPolarHBondContact O-CA 3.41Å; D410-F413 VanDerWaalsContact O-CB 3.28Å; D410-F413 WeakPolarHBondContact O-CB 3.32Å; D410-F413 PolarHBondContact O-N 2.86Å; K411-F413 PolarHBondContact O-N 3.46Å; K411-F413 VanDerWaalsContact O-N 3.17Å; F413-T417 WeakPolarHBondContact O-CB 3.47Å; F413-T417 PolarHBondContact O-N 3.31Å; F413-T417 PolarHBondContact O-OG1 2.93Å
414W91.9Very high88.8Confident0 Ų044.8 Ų44.80%025%0.246CC..Hα-helixtrans-56.3-50.6171-80.7105.9000111.2L137 L141 V150 V152 F335 D410 K411 T417 L418L137-W414 HydrophobicContact CD1-CH2 4.46Å; L137-W414 HydrophobicContact CD1-CZ2 4.42Å; L137-W414 HydrophobicContact CD2-CD2 3.67Å; L137-W414 HydrophobicContact CD2-CE3 3.32Å; L137-W414 HydrophobicContact CD2-CG 4.43Å; L137-W414 HydrophobicContact CD2-CH2 3.89Å; L137-W414 HydrophobicContact CD2-CZ2 4.21Å; L137-W414 HydrophobicContact CD2-CZ3 3.46Å; L137-W414 VanDerWaalsContact CD2-CZ3 3.46Å; L137-W414 HydrophobicContact CG-CE3 4.15Å; L137-W414 HydrophobicContact CG-CH2 3.77Å; L137-W414 HydrophobicContact CG-CZ2 4.18Å; L137-W414 HydrophobicContact CG-CZ3 3.78Å; L141-W414 HydrophobicContact CD1-CD2 3.94Å; L141-W414 HydrophobicContact CD1-CE3 4.09Å; L141-W414 HydrophobicContact CD1-CH2 3.98Å; L141-W414 HydrophobicContact CD1-CZ2 3.78Å; L141-W414 HydrophobicContact CD1-CZ3 4.09Å; L141-W414 HydrophobicContact CD2-CD2 4.37Å; L141-W414 HydrophobicContact CD2-CG 4.36Å; L141-W414 HydrophobicContact CD2-CZ2 4.44Å; L141-W414 HydrophobicContact CG-CD2 4.44Å; L141-W414 HydrophobicContact CG-CZ2 3.88Å; V150-W414 HydrophobicContact CB-CH2 3.67Å; V150-W414 HydrophobicContact CB-CZ2 4.45Å; V150-W414 HydrophobicContact CB-CZ3 4.19Å; V150-W414 HydrophobicContact CG1-CH2 3.63Å; V150-W414 HydrophobicContact CG1-CZ3 3.65Å; V152-W414 HydrophobicContact CG2-CE3 4.3Å; V152-W414 HydrophobicContact CG2-CH2 4.26Å; V152-W414 HydrophobicContact CG2-CZ3 3.45Å; V152-W414 VanDerWaalsContact CG2-CZ3 3.45Å; F335-W414 HydrophobicContact CE1-CB 4.03Å; F335-W414 HydrophobicContact CE1-CG 4.27Å; F335-W414 HydrophobicContact CZ-CB 3.9Å; F335-W414 HydrophobicContact CZ-CD2 4.43Å; F335-W414 HydrophobicContact CZ-CG 4.08Å; D410-W414 PolarHBondContact O-N 3.06Å; D410-W414 PolarHBondContact OD2-NE1 2.68Å; K411-W414 PolarHBondContact O-N 3.06Å; W414-T417 PolarHBondContact O-N 2.78Å; W414-L418 HydrophobicContact CE3-CD1 4.22Å; W414-L418 WeakPolarHBondContact O-CB 3.38Å; W414-L418 WeakPolarHBondContact O-CG 3.49Å; W414-L418 PolarHBondContact O-N 2.94Å
415I90.5Very high87.5Confident21 Ų2149.7 Ų49.711%0.10826%0.264CS..Hα-helixtrans-60-53.8-179.5-67.7173.4000110.4L308 D310 F335 K411 T417 L418 T419L308-I415 HydrophobicContact CD2-CB 4.32Å; L308-I415 HydrophobicContact CD2-CG1 4.4Å; L308-I415 HydrophobicContact CD2-CG2 3.99Å; D310-I415 HydrophobicContact CB-CD1 3.84Å; D310-I415 VanDerWaalsContact OD2-CD1 3.3Å; D310-I415 WeakPolarHBondContact OD2-CD1 3.35Å; F335-I415 HydrophobicContact CB-CD1 4.27Å; F335-I415 HydrophobicContact CB-CG1 4.33Å; F335-I415 HydrophobicContact CG-CG1 4.48Å; K411-I415 HydrophobicContact CD-CD1 4.31Å; K411-I415 HydrophobicContact CG-CD1 3.65Å; K411-I415 HydrophobicContact CG-CG1 4.35Å; K411-I415 WeakPolarHBondContact O-CG1 3.16Å; K411-I415 PolarHBondContact O-N 2.72Å; I415-T417 PolarHBondContact O-N 2.68Å; I415-T417 VanDerWaalsContact O-N 3.12Å; I415-L418 PolarHBondContact O-N 2.77Å; I415-L418 VanDerWaalsContact O-N 3.1Å; I415-T419 WeakPolarHBondContact O-CB 2.95Å; I415-T419 PolarHBondContact O-N 3.18Å; I415-T419 PolarHBondContact O-OG1 2.71Å
416T89Confident85.9Confident52 Ų5259.2 Ų59.232%0.31930%0.301SS..Hα-helixtrans-55.3-36.7179-58.70000112.2R228 K412 P420R228-T416 VanDerWaalsContact NH1-CG2 3.35Å; R228-T416 PolarHBondContact NH1-OG1 3.32Å; R228-T416 VanDerWaalsContact NH1-OG1 3.12Å; K412-T416 VanDerWaalsContact O-CB 3.29Å; K412-T416 WeakPolarHBondContact O-CB 2.82Å; K412-T416 PolarHBondContact O-N 2.91Å; K412-T416 PolarHBondContact O-OG1 3.37Å; T416-P420 VanDerWaalsContact O-CD 3.22Å; T416-P420 WeakPolarHBondContact O-CD 3.09Å
417T88.6Confident84.1Confident1 Ų162 Ų621%0.00631%0.305CS..Hα-helixtrans-75.7-37.6-179.1-560000112.2L137 L224 F413 W414 I415 P420 L421L137-T417 HydrophobicContact CB-CG2 3.99Å; L137-T417 HydrophobicContact CD2-CG2 3.83Å; L224-T417 HydrophobicContact CD1-CG2 3.83Å; F413-T417 WeakPolarHBondContact O-CB 3.47Å; F413-T417 PolarHBondContact O-N 3.31Å; F413-T417 PolarHBondContact O-OG1 2.93Å; W414-T417 PolarHBondContact O-N 2.78Å; I415-T417 PolarHBondContact O-N 2.68Å; I415-T417 VanDerWaalsContact O-N 3.12Å; T417-P420 WeakPolarHBondContact O-CD 2.82Å; T417-L421 WeakPolarHBondContact O-CD1 3.35Å; T417-L421 WeakPolarHBondContact O-CG 3.41Å
418L90.6Very high81.9Confident0 Ų063 Ų630%031%0.312CS..Hα-helixtrans-82.5-34.7-177.4-70.9173.9000112.8V152 M157 L303 L308 F335 W414 I415 P420 L421 V422V152-L418 HydrophobicContact CG1-CD2 3.84Å; V152-L418 HydrophobicContact CG2-CD2 4.02Å; M157-L418 HydrophobicContact SD-CD2 4.25Å; L303-L418 HydrophobicContact CD1-CD2 4.31Å; L303-L418 HydrophobicContact CD2-CD2 4.06Å; L308-L418 HydrophobicContact CD1-CD1 4.41Å; L308-L418 HydrophobicContact CD2-CB 3.87Å; F335-L418 HydrophobicContact CE2-CD1 4.05Å; W414-L418 HydrophobicContact CE3-CD1 4.22Å; W414-L418 WeakPolarHBondContact O-CB 3.38Å; W414-L418 WeakPolarHBondContact O-CG 3.49Å; W414-L418 PolarHBondContact O-N 2.94Å; I415-L418 PolarHBondContact O-N 2.77Å; I415-L418 VanDerWaalsContact O-N 3.1Å; L418-P420 VanDerWaalsContact C-CD 3.49Å; L418-L421 WeakPolarHBondContact O-CA 3.06Å; L418-L421 WeakPolarHBondContact O-CB 3.32Å; L418-L421 PolarHBondContact O-N 2.95Å; L418-V422 PolarHBondContact O-N 2.95Å; L418-V422 VanDerWaalsContact O-N 3.09Å
419T90.4Very high79.7Confident77 Ų7766.8 Ų66.847%0.47233%0.328SS..THydrogen-bonded Turntrans-46.1-48.3-179.3-61.80000114.3I415 L421 V422I415-T419 WeakPolarHBondContact O-CB 2.95Å; I415-T419 PolarHBondContact O-N 3.18Å; I415-T419 PolarHBondContact O-OG1 2.71Å; T419-L421 PolarHBondContact O-N 3.31Å; T419-V422 WeakPolarHBondContact O-CG2 3.49Å
420P89Confident77.1Confident89 Ų8964.2 Ų64.258%0.57833%0.327SS*.THydrogen-bonded Turntrans-75.1-10.2179.630.2-36.6000114.3T416 T417 L418T416-P420 VanDerWaalsContact O-CD 3.22Å; T416-P420 WeakPolarHBondContact O-CD 3.09Å; T417-P420 WeakPolarHBondContact O-CD 2.82Å; L418-P420 VanDerWaalsContact C-CD 3.49Å
421L88.6Confident74.6Confident31 Ų3169.2 Ų69.216%0.16236%0.36CS..THydrogen-bonded Turntrans-99.5-25.1-175.9-52.8178.7000112.6L136 V152 L303 T417 L418 T419L136-L421 HydrophobicContact CD1-CD1 3.73Å; L136-L421 HydrophobicContact CD1-CD2 4.02Å; V152-L421 HydrophobicContact CG1-CD1 3.58Å; L303-L421 HydrophobicContact CB-CB 4.27Å; L303-L421 WeakPolarHBondContact CB-O 3.4Å; L303-L421 HydrophobicContact CD1-CB 3.7Å; L303-L421 HydrophobicContact CD1-CD1 3.79Å; L303-L421 HydrophobicContact CD1-CG 4.39Å; T417-L421 WeakPolarHBondContact O-CD1 3.35Å; T417-L421 WeakPolarHBondContact O-CG 3.41Å; L418-L421 WeakPolarHBondContact O-CA 3.06Å; L418-L421 WeakPolarHBondContact O-CB 3.32Å; L418-L421 PolarHBondContact O-N 2.95Å; T419-L421 PolarHBondContact O-N 3.31Å
422V90Very high71.9Confident17 Ų1775.5 Ų75.510%0.10340%0.395CS..SBendtrans-85.9167.9-179.4-63.50000112.2L303 Y306 L308 L337 L418 T419 S424L303-V422 HydrophobicContact CB-CG1 4.49Å; L303-V422 HydrophobicContact CD2-CG1 4.17Å; L303-V422 WeakPolarHBondContact O-CA 3.39Å; Y306-V422 WeakPolarHBondContact O-CB 3.49Å; L308-V422 HydrophobicContact CB-CB 4.49Å; L308-V422 HydrophobicContact CB-CG1 4.29Å; L308-V422 HydrophobicContact CB-CG2 3.81Å; L337-V422 HydrophobicContact CD2-CG1 4Å; L418-V422 PolarHBondContact O-N 2.95Å; L418-V422 VanDerWaalsContact O-N 3.09Å; T419-V422 WeakPolarHBondContact O-CG2 3.49Å; V422-S424 PolarHBondContact O-N 3.33Å
423H85.8Confident69.2Low51 Ų5176.7 Ų76.724%0.23641%0.407CS..PPolyproline II helixtrans-63.3132172-164.574.2000110.6K304 Y306 Y340K304-H423 WeakPolarHBondContact O-CB 3.35Å; Y306-H423 WeakPolarHBondContact O-CB 3.48Å; Y306-H423 PolarHBondContact O-N 3.03Å; Y340-H423 AromaticContact CD1-CD2 3.94Å; Y340-H423 AromaticContact CD2-CD2 3.82Å; Y340-H423 AromaticContact CE1-CD2 3.88Å; Y340-H423 AromaticContact CE1-CE1 3.93Å; Y340-H423 AromaticContact CE1-NE2 3.52Å; Y340-H423 AromaticContact CE2-CD2 3.73Å; Y340-H423 AromaticContact CE2-NE2 3.87Å; Y340-H423 AromaticContact CG-CD2 3.9Å; Y340-H423 AromaticContact CZ-CD2 3.75Å; Y340-H423 AromaticContact CZ-NE2 3.42Å
424S78.3Confident66.5Low37 Ų3782.8 Ų82.826%0.25944%0.44SS..PPolyproline II helixtrans-97129175.275.30000110.3V422 Y426 Q427V422-S424 PolarHBondContact O-N 3.33Å; S424-Y426 PolarHBondContact O-N 3.32Å; S424-Q427 PolarHBondContact O-N 3.26Å; S424-Q427 VanDerWaalsContact OG-CB 3.3Å; S424-Q427 WeakPolarHBondContact OG-CB 2.99Å; S424-Q427 WeakPolarHBondContact OG-CG 3.47Å; S424-Q427 PolarHBondContact OG-OE1 3.33Å
425Y63.8Low63.7Low135 Ų13590.6 Ų90.653%0.52948%0.48SS..G310 helixtrans-57.1-37.7176.4-88.4-71.9000112.4I307 Q427I307-Y425 HydrophobicContact CD1-CE1 3.98Å; I307-Y425 HydrophobicContact CD1-CE2 3.8Å; I307-Y425 VanDerWaalsContact CD1-CZ 3.42Å; I307-Y425 VanDerWaalsContact CD1-OH 3.32Å; I307-Y425 WeakPolarHBondContact CD1-OH 3.5Å; I307-Y425 HydrophobicContact CG1-CE2 4.29Å; I307-Y425 HydrophobicContact CG2-CD2 4.1Å; I307-Y425 HydrophobicContact CG2-CE2 3.49Å; I307-Y425 VanDerWaalsContact CG2-CE2 3.49Å; Y425-Q427 PolarHBondContact O-N 3.28Å
426Y56.2Low61.1Low202 Ų20298 Ų9879%0.79252%0.519SS*.G310 helixtrans-80-9.1-171.8-63.4-72.9000115S424S424-Y426 PolarHBondContact O-N 3.32Å
427Q50.4Low58.6Low137 Ų137106.9 Ų106.964%0.6457%0.565SS**G310 helixtrans-75.7-20.9-179.9-93.8169.4-14.300114S424 Y425S424-Q427 PolarHBondContact O-N 3.26Å; S424-Q427 VanDerWaalsContact OG-CB 3.3Å; S424-Q427 WeakPolarHBondContact OG-CB 2.99Å; S424-Q427 WeakPolarHBondContact OG-CG 3.47Å; S424-Q427 PolarHBondContact OG-OE1 3.33Å; Y425-Q427 PolarHBondContact O-N 3.28Å
428S42.6Very low57.1Low63 Ų63112.2 Ų112.244%0.44159%0.593SS.*SBendtrans-83.7-22.7-174.186.20000115.3
429E41Very low55.4Low162 Ų162118.1 Ų118.176%0.75762%0.624SS**THydrogen-bonded Turntrans-77.9-20.1-178.2-73.4-173165.400113.2
430S35.7Very low53.4Low100 Ų100120.4 Ų120.470%0.69963%0.632SS**THydrogen-bonded Turntrans-88.1-4.1-174.669.60000116.3
431C35.6Very low51.3Low106 Ų106122.2 Ų122.272%0.71664%0.636SS**SBendtrans-113.20-172.6-150.50000115.8
432N34.2Very low49Very low140 Ų140127.9 Ų127.975%0.74967%0.665SS**SBendtrans-114.9-3-174.6-75.1-23.8000116.7
433D33.1Very low46.3Very low152 Ų152135.3 Ų135.381%0.81370%0.703SS**SBendtrans-109.223.1-176.6-76.5-11.2000114.9
434L30.9Very low43.4Very low166 Ų166141.4 Ų141.487%0.86974%0.736SS**SBendtrans-124.439.5177.1-71.1173.1000113.7
435I33.2Very low40.8Very low163 Ų163149.4 Ų149.484%0.83677%0.773SS**  trans-149.182.2160.4-48.6177.2000109.5
436L35.5Very low38.8Very low178 Ų178150.6 Ų150.693%0.93279%0.793SS**  trans-144.980.6153-88.1172.7000106.5
437D37.7Very low37.3Very low238 Ų238145.9 Ų145.9100%1.27379%0.793SS**  trans-82.30148.4-83-30.6000108.9

Retrieved 437 of 437 residues in 847.4 ms (Link to these results)

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