A0A077ZID4_TRITR Loading...

Phospholipase A2

AlphaFold DB , UniProt , Accession A0A077ZID4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 137 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
1M57.9Low83Confident76 Ų7631.9 Ų31.937%0.37418%0.178SC..  0-41.20-80.9-173.1-72.300114.1N3 L4 G5 F29 Y65 L122 F124M1-N3 PolarHBondContact O-N 3.33Å; M1-L4 PolarHBondContact O-N 2.98Å; M1-G5 PolarHBondContact O-N 3.13Å; M1-F29 HydrophobicContact CE-CE1 4.31Å; M1-F29 HydrophobicContact CE-CZ 3.78Å; M1-F29 HydrophobicContact SD-CE1 4.09Å; M1-F29 HydrophobicContact SD-CE2 4.36Å; M1-F29 HydrophobicContact SD-CZ 3.56Å; M1-F29 VanDerWaalsContact SD-CZ 3.56Å; M1-Y65 HydrophobicContact CE-CD1 4.4Å; M1-L122 HydrophobicContact CE-CD1 3.5Å; M1-L122 HydrophobicContact SD-CD1 3.97Å; M1-F124 HydrophobicContact CB-CZ 4.49Å
2L71.4Confident83.7Confident71 Ų7131.2 Ų31.237%0.37217%0.174SC..Hα-helixtrans-55.4-37.8176.6-76.5168.2000112.6C6 W68 F124L2-C6 WeakPolarHBondContact O-CB 3.26Å; L2-C6 PolarHBondContact O-N 3.2Å; L2-W68 HydrophobicContact CB-CZ3 3.95Å; L2-W68 HydrophobicContact CD1-CZ3 4.28Å; L2-F124 HydrophobicContact CD1-CE1 4.09Å; L2-F124 HydrophobicContact CD2-CD1 3.38Å; L2-F124 HydrophobicContact CD2-CE1 3.32Å; L2-F124 HydrophobicContact CD2-CG 4.09Å; L2-F124 HydrophobicContact CD2-CZ 3.97Å; L2-F124 HydrophobicContact CG-CD1 4.06Å; L2-F124 HydrophobicContact CG-CE1 3.5Å; L2-F124 VanDerWaalsContact CG-CE1 3.5Å; L2-F124 HydrophobicContact CG-CZ 4.08Å
3N84.2Confident84.2Confident11 Ų1140.6 Ų40.66%0.05922%0.215CC..Hα-helixtrans-66.8-47.5-179.4-46.7-41.5000113M1 G5 C6 M7 T67 W68 Y69M1-N3 PolarHBondContact O-N 3.33Å; N3-G5 PolarHBondContact O-N 2.93Å; N3-C6 CarbonylContact O-C 3.58Å; N3-C6 WeakPolarHBondContact O-CB 3.47Å; N3-C6 PolarHBondContact O-N 3.08Å; N3-M7 WeakPolarHBondContact O-CB 3.41Å; N3-M7 PolarHBondContact O-N 3.04Å; N3-T67 PolarHBondContact ND2-O 3.27Å; N3-W68 VanDerWaalsContact OD1-CE3 3.26Å; N3-Y69 HydrophobicContact CB-CD1 4.14Å; N3-Y69 HydrophobicContact CB-CD2 4.42Å; N3-Y69 HydrophobicContact CB-CE1 3.4Å; N3-Y69 VanDerWaalsContact CB-CE1 3.4Å; N3-Y69 HydrophobicContact CB-CE2 3.75Å; N3-Y69 WeakPolarHBondContact CB-OH 3.33Å; N3-Y69 WeakPolarHBondContact ND2-CD1 3.17Å; N3-Y69 VanDerWaalsContact ND2-CE1 3.34Å; N3-Y69 WeakPolarHBondContact ND2-CE1 3.45Å
4L88.1Confident84.5Confident41 Ų4139.6 Ų39.622%0.21521%0.209CC..Hα-helixtrans-55.7-50.7175.2175.858.4000111.7M1 C6 M7 V8 D90 I93M1-L4 PolarHBondContact O-N 2.98Å; L4-C6 VanDerWaalsContact C-N 3.3Å; L4-C6 PolarHBondContact O-N 3.26Å; L4-M7 PolarHBondContact O-N 2.8Å; L4-M7 VanDerWaalsContact O-N 3.13Å; L4-V8 HydrophobicContact CD1-CG2 3.97Å; L4-V8 WeakPolarHBondContact O-CG2 3.36Å; L4-V8 PolarHBondContact O-N 2.8Å; L4-D90 VanDerWaalsContact CA-OD2 3.26Å; L4-D90 WeakPolarHBondContact CA-OD2 3.38Å; L4-D90 WeakPolarHBondContact CB-OD2 3.49Å; L4-D90 HydrophobicContact CD1-CB 4.18Å; L4-D90 PolarHBondContact N-OD2 3.34Å; L4-I93 HydrophobicContact CD1-CD1 4.43Å; L4-I93 HydrophobicContact CD1-CG2 3.36Å
5G87.8Confident84.9Confident24 Ų2441.7 Ų41.725%0.24722%0.218CC..Hα-helixtrans-56.7-46.1177.100000111.5M1 N3 M7 E9M1-G5 PolarHBondContact O-N 3.13Å; N3-G5 PolarHBondContact O-N 2.93Å; G5-M7 PolarHBondContact O-N 3.15Å; G5-E9 VanDerWaalsContact O-CB 3.27Å; G5-E9 WeakPolarHBondContact O-CB 3.47Å; G5-E9 PolarHBondContact O-N 3.25Å
6C85.6Confident85.2Confident17 Ų1739.9 Ų39.912%0.11521%0.209CC..Hα-helixtrans-61.6-41175.3-95.20000113.5L2 N3 L4 C10 C130 I132L2-C6 WeakPolarHBondContact O-CB 3.26Å; L2-C6 PolarHBondContact O-N 3.2Å; N3-C6 CarbonylContact O-C 3.58Å; N3-C6 WeakPolarHBondContact O-CB 3.47Å; N3-C6 PolarHBondContact O-N 3.08Å; L4-C6 VanDerWaalsContact C-N 3.3Å; L4-C6 PolarHBondContact O-N 3.26Å; C6-C10 WeakPolarHBondContact O-CB 3.42Å; C6-C10 PolarHBondContact O-N 3.32Å; C6-C10 PolarHBondContact O-SG 3.27Å; C6-C130 WeakPolarHBondContact CA-SG 3.47Å; C6-C130 HydrophobicContact CB-CB 3.72Å; C6-C130 WeakPolarHBondContact CB-SG 3.4Å; C6-C130 WeakPolarHBondContact SG-CB 3.36Å; C6-C130 CovalentContact SG-SG 2.05Å; C6-C130 PolarHBondContact SG-SG 2.89Å; C6-I132 HydrophobicContact CB-CD1 3.96Å
7M85.9Confident85.4Confident0 Ų042.4 Ų42.40%022%0.222CC..Hα-helixtrans-65.2-46.2-178.4-175.359.578.100111.1N3 L4 G5 C10 M11 C71 F73 D90 R91 A94 I132N3-M7 WeakPolarHBondContact O-CB 3.41Å; N3-M7 PolarHBondContact O-N 3.04Å; L4-M7 PolarHBondContact O-N 2.8Å; L4-M7 VanDerWaalsContact O-N 3.13Å; G5-M7 PolarHBondContact O-N 3.15Å; M7-C10 PolarHBondContact O-N 3.47Å; M7-M11 WeakPolarHBondContact O-CB 3.41Å; M7-M11 PolarHBondContact O-N 3.45Å; M7-M11 VanDerWaalsContact O-N 3.08Å; M7-C71 HydrophobicContact CE-CB 3.57Å; M7-C71 WeakPolarHBondContact CE-SG 3.43Å; M7-F73 HydrophobicContact SD-CD1 4.36Å; M7-F73 HydrophobicContact SD-CE1 3.44Å; M7-F73 WeakPolarHBondContact SD-CE1 3.33Å; M7-F73 HydrophobicContact SD-CE2 4.2Å; M7-F73 HydrophobicContact SD-CZ 3.37Å; M7-F73 WeakPolarHBondContact SD-CZ 3.17Å; M7-D90 HydrophobicContact CB-CB 4.36Å; M7-D90 HydrophobicContact CG-CB 4.4Å; M7-D90 VanDerWaalsContact CG-O 3.24Å; M7-D90 WeakPolarHBondContact CG-O 3.39Å; M7-R91 HydrophobicContact CE-CB 4.22Å; M7-A94 HydrophobicContact CG-CB 3.69Å; M7-I132 HydrophobicContact CB-CD1 4Å; M7-I132 HydrophobicContact CE-CD1 3.8Å; M7-I132 HydrophobicContact CE-CG1 4.49Å; M7-I132 HydrophobicContact CE-CG2 4.18Å; M7-I132 HydrophobicContact SD-CD1 4.09Å; M7-I132 HydrophobicContact SD-CG2 3.98Å
8V90.8Very high85.7Confident5 Ų543.4 Ų43.43%0.0323%0.233CC..Hα-helixtrans-67.2-43.3177.3178.90000111L4 C10 M11 L12 P16 Y20 A94 L97L4-V8 HydrophobicContact CD1-CG2 3.97Å; L4-V8 WeakPolarHBondContact O-CG2 3.36Å; L4-V8 PolarHBondContact O-N 2.8Å; V8-C10 VanDerWaalsContact C-N 3.35Å; V8-C10 PolarHBondContact O-N 2.9Å; V8-M11 PolarHBondContact O-N 2.87Å; V8-L12 HydrophobicContact CG1-CD1 3.71Å; V8-L12 HydrophobicContact CG1-CG 4.26Å; V8-L12 WeakPolarHBondContact O-CB 3.32Å; V8-L12 PolarHBondContact O-N 2.68Å; V8-P16 HydrophobicContact CB-CB 4.04Å; V8-P16 HydrophobicContact CG1-CB 3.77Å; V8-Y20 HydrophobicContact CG1-CD2 4.12Å; V8-Y20 HydrophobicContact CG1-CE2 3.94Å; V8-A94 HydrophobicContact CG2-CB 4.19Å; V8-L97 HydrophobicContact CG1-CD1 4.09Å; V8-L97 HydrophobicContact CG2-CD1 4.14Å
9E88.9Confident86Confident44 Ų4445.3 Ų45.321%0.20624%0.236CC..Hα-helixtrans-60.2-43.3176.1175.4170.3-168.300112.2G5 M11 H13 R127G5-E9 VanDerWaalsContact O-CB 3.27Å; G5-E9 WeakPolarHBondContact O-CB 3.47Å; G5-E9 PolarHBondContact O-N 3.25Å; E9-M11 VanDerWaalsContact C-N 3.34Å; E9-M11 PolarHBondContact O-N 3.35Å; E9-H13 VanDerWaalsContact O-CA 3.26Å; E9-H13 WeakPolarHBondContact O-CA 3.28Å; E9-H13 PolarHBondContact O-N 2.9Å; E9-R127 IonicContact OE1-CZ 3.73Å; E9-R127 IonicContact OE1-NE 3.58Å; E9-R127 IonicContact OE1-NH1 2.72Å; E9-R127 PolarHBondContact OE1-NH1 3.49Å; E9-R127 IonicContact OE1-NH2 2.85Å; E9-R127 PolarHBondContact OE1-NH2 3.28Å; E9-R127 IonicContact OE2-CZ 3.29Å; E9-R127 IonicContact OE2-NE 2.83Å; E9-R127 PolarHBondContact OE2-NE 3.08Å; E9-R127 IonicContact OE2-NH1 2.82Å; E9-R127 IonicContact OE2-NH2 2.68Å; E9-R127 PolarHBondContact OE2-NH2 2.96Å
10C86Confident86.4Confident22 Ų2243.7 Ų43.715%0.14923%0.227CC..Hα-helixtrans-67.5-35179.2-69.40000112.7C6 M7 V8 C130 I132C6-C10 WeakPolarHBondContact O-CB 3.42Å; C6-C10 PolarHBondContact O-N 3.32Å; C6-C10 PolarHBondContact O-SG 3.27Å; M7-C10 PolarHBondContact O-N 3.47Å; V8-C10 VanDerWaalsContact C-N 3.35Å; V8-C10 PolarHBondContact O-N 2.9Å; C10-C130 WeakPolarHBondContact SG-CB 3.33Å; C10-I132 HydrophobicContact CB-CB 4.39Å; C10-I132 HydrophobicContact CB-CG2 4.29Å
11M86.8Confident86.7Confident40 Ų4044 Ų4420%0.19723%0.231CC..Hα-helixtrans-77.9-40.7-179.7176.754.365.400112.5M7 V8 E9 F73 A94 L95 A98M7-M11 WeakPolarHBondContact O-CB 3.41Å; M7-M11 PolarHBondContact O-N 3.45Å; M7-M11 VanDerWaalsContact O-N 3.08Å; V8-M11 PolarHBondContact O-N 2.87Å; E9-M11 VanDerWaalsContact C-N 3.34Å; E9-M11 PolarHBondContact O-N 3.35Å; M11-F73 HydrophobicContact CB-CE1 4.36Å; M11-F73 HydrophobicContact CB-CZ 3.97Å; M11-F73 HydrophobicContact CE-CD1 3.46Å; M11-F73 VanDerWaalsContact CE-CD1 3.46Å; M11-F73 HydrophobicContact CE-CE1 3.04Å; M11-F73 HydrophobicContact CE-CE2 4.18Å; M11-F73 HydrophobicContact CE-CG 4.21Å; M11-F73 HydrophobicContact CE-CZ 3.45Å; M11-F73 VanDerWaalsContact CE-CZ 3.45Å; M11-A94 HydrophobicContact CB-CB 3.91Å; M11-A94 HydrophobicContact CG-CB 4.13Å; M11-A94 WeakPolarHBondContact CG-O 3.36Å; M11-L95 HydrophobicContact CE-CD2 3.51Å; M11-L95 HydrophobicContact CE-CG 4.26Å; M11-L95 HydrophobicContact SD-CD2 4.32Å; M11-A98 HydrophobicContact CG-CB 3.95Å; M11-A98 HydrophobicContact SD-CB 4.09Å
12L90.6Very high88.2Confident23 Ų2344.6 Ų44.612%0.1224%0.236CC..Hα-helixtrans-105.3-10.2-170.3-57.4-174.8000114.2V8 I14 Y20 L97 A98V8-L12 HydrophobicContact CG1-CD1 3.71Å; V8-L12 HydrophobicContact CG1-CG 4.26Å; V8-L12 WeakPolarHBondContact O-CB 3.32Å; V8-L12 PolarHBondContact O-N 2.68Å; L12-I14 HydrophobicContact CB-CD1 4.12Å; L12-I14 HydrophobicContact CB-CG1 3.9Å; L12-I14 HydrophobicContact CD1-CD1 4.05Å; L12-I14 WeakPolarHBondContact O-CG2 3.44Å; L12-I14 PolarHBondContact O-N 2.85Å; L12-Y20 HydrophobicContact CD1-CE2 3.74Å; L12-Y20 WeakPolarHBondContact CD1-OH 3.39Å; L12-L97 HydrophobicContact CD1-CB 3.92Å; L12-A98 VanDerWaalsContact CD2-CA 3.43Å; L12-A98 HydrophobicContact CD2-CB 3.61Å
13H90.5Very high89.3Confident154 Ų15442 Ų4271%0.71322%0.221SC*.SBendtrans55.435.2-175.7-56.4-66.1000113.9E9E9-H13 VanDerWaalsContact O-CA 3.26Å; E9-H13 WeakPolarHBondContact O-CA 3.28Å; E9-H13 PolarHBondContact O-N 2.9Å
14I89.1Confident89.8Confident26 Ų2642 Ų4213%0.13322%0.223CC..SBendtrans-127.6165.9176.869.7-176.5000111.7L12 P16 R19 Y20 I102L12-I14 HydrophobicContact CB-CD1 4.12Å; L12-I14 HydrophobicContact CB-CG1 3.9Å; L12-I14 HydrophobicContact CD1-CD1 4.05Å; L12-I14 WeakPolarHBondContact O-CG2 3.44Å; L12-I14 PolarHBondContact O-N 2.85Å; I14-P16 VanDerWaalsContact O-CD 3.28Å; I14-P16 WeakPolarHBondContact O-CD 3.27Å; I14-R19 HydrophobicContact CD1-CB 4.15Å; I14-R19 HydrophobicContact CD1-CG 3.87Å; I14-Y20 HydrophobicContact CD1-CE2 3.68Å; I14-I102 HydrophobicContact CD1-CG1 4.3Å; I14-I102 HydrophobicContact CD1-CG2 3.89Å; I14-I102 HydrophobicContact CG2-CD1 3.77Å; I14-I102 HydrophobicContact CG2-CG2 4.46Å
15E89.7Confident90.2Very high72 Ų7240.9 Ų40.934%0.33622%0.219SC..  trans-79.9109.5168.2-162.8-69.6112.100109.3I17 S18 R19E15-I17 PolarHBondContact O-N 3.47Å; E15-I17 WeakPolarHBondContact OE1-CA 3.15Å; E15-I17 WeakPolarHBondContact OE1-CB 3.41Å; E15-I17 WeakPolarHBondContact OE1-CG1 3.5Å; E15-I17 PolarHBondContact OE1-N 3.04Å; E15-S18 PolarHBondContact O-OG 3.49Å; E15-S18 WeakPolarHBondContact OE2-CA 3.42Å; E15-S18 WeakPolarHBondContact OE2-CB 3Å; E15-S18 PolarHBondContact OE2-N 2.66Å; E15-S18 PolarHBondContact OE2-OG 3.02Å; E15-R19 WeakPolarHBondContact O-CG 3.27Å
16P90Very high90.6Very high12 Ų1241 Ų418%0.07821%0.212CC..Hα-helixtrans-73.9-27.2-168.429.3-36.3000114.1V8 I14 R19 Y20V8-P16 HydrophobicContact CB-CB 4.04Å; V8-P16 HydrophobicContact CG1-CB 3.77Å; I14-P16 VanDerWaalsContact O-CD 3.28Å; I14-P16 WeakPolarHBondContact O-CD 3.27Å; P16-R19 PolarHBondContact O-N 2.68Å; P16-Y20 HydrophobicContact CB-CD2 4.35Å; P16-Y20 PolarHBondContact O-N 3Å
17I89.4Confident91Very high83 Ų8340.6 Ų40.643%0.42621%0.21SC..Hα-helixtrans-67.4-45.8-176.1-59.6174.5000110.3E15 R19 V21 F124E15-I17 PolarHBondContact O-N 3.47Å; E15-I17 WeakPolarHBondContact OE1-CA 3.15Å; E15-I17 WeakPolarHBondContact OE1-CB 3.41Å; E15-I17 WeakPolarHBondContact OE1-CG1 3.5Å; E15-I17 PolarHBondContact OE1-N 3.04Å; I17-R19 PolarHBondContact O-N 3.43Å; I17-V21 HydrophobicContact CB-CG2 4.25Å; I17-V21 HydrophobicContact CG1-CG2 4.38Å; I17-V21 HydrophobicContact CG2-CB 4.18Å; I17-V21 HydrophobicContact CG2-CG2 4.03Å; I17-V21 WeakPolarHBondContact O-CB 3.44Å; I17-V21 PolarHBondContact O-N 2.87Å; I17-F124 HydrophobicContact CD1-CD2 4.44Å
18S90.2Very high91.2Very high61 Ų6142.4 Ų42.443%0.42723%0.228SC..Hα-helixtrans-62.6-30.617856.80000112.3E15 K106E15-S18 PolarHBondContact O-OG 3.49Å; E15-S18 WeakPolarHBondContact OE2-CA 3.42Å; E15-S18 WeakPolarHBondContact OE2-CB 3Å; E15-S18 PolarHBondContact OE2-N 2.66Å; E15-S18 PolarHBondContact OE2-OG 3.02Å; S18-K106 WeakPolarHBondContact O-CD 3.39Å; S18-K106 WeakPolarHBondContact O-CE 3.4Å; S18-K106 PolarHBondContact O-NZ 2.73Å
19R92Very high90.9Very high78 Ų7848.6 Ų48.629%0.29426%0.255SS..Hα-helixtrans-93.6-41.4-173.3-59-63.8-179.5152.80.6114.7I14 E15 P16 I17 P103 N104 K106I14-R19 HydrophobicContact CD1-CB 4.15Å; I14-R19 HydrophobicContact CD1-CG 3.87Å; E15-R19 WeakPolarHBondContact O-CG 3.27Å; P16-R19 PolarHBondContact O-N 2.68Å; I17-R19 PolarHBondContact O-N 3.43Å; R19-P103 WeakPolarHBondContact CD-O 3.12Å; R19-P103 PolarHBondContact NH1-O 2.98Å; R19-N104 PolarHBondContact NH1-OD1 3.2Å; R19-K106 WeakPolarHBondContact O-CD 3.11Å; R19-K106 WeakPolarHBondContact O-CG 3.43Å
20Y93.7Very high90.6Very high14 Ų1448.7 Ų48.76%0.05527%0.268CS..Hα-helixtrans-117.4-23.4-169-58.7-64.3000114.7V8 L12 I14 P16 N22 Y23 C27 I39 L97 P103V8-Y20 HydrophobicContact CG1-CD2 4.12Å; V8-Y20 HydrophobicContact CG1-CE2 3.94Å; L12-Y20 HydrophobicContact CD1-CE2 3.74Å; L12-Y20 WeakPolarHBondContact CD1-OH 3.39Å; I14-Y20 HydrophobicContact CD1-CE2 3.68Å; P16-Y20 HydrophobicContact CB-CD2 4.35Å; P16-Y20 PolarHBondContact O-N 3Å; Y20-N22 PolarHBondContact O-N 2.87Å; Y20-Y23 WeakPolarHBondContact O-CB 3.39Å; Y20-Y23 PolarHBondContact O-N 2.98Å; Y20-C27 WeakPolarHBondContact O-CB 3.39Å; Y20-I39 HydrophobicContact CD1-CG2 3.8Å; Y20-I39 HydrophobicContact CE1-CD1 4.46Å; Y20-I39 HydrophobicContact CE1-CG2 3.9Å; Y20-L97 HydrophobicContact CD1-CD1 4.42Å; Y20-L97 HydrophobicContact CD1-CD2 4.1Å; Y20-L97 HydrophobicContact CD2-CD1 4.08Å; Y20-L97 HydrophobicContact CE1-CD1 4.36Å; Y20-L97 HydrophobicContact CE1-CD2 3.83Å; Y20-L97 HydrophobicContact CE2-CD1 3.97Å; Y20-L97 HydrophobicContact CG-CD1 4.3Å; Y20-P103 HydrophobicContact CD1-CG 4.26Å; Y20-P103 HydrophobicContact CE1-CG 3.75Å
21V91.2Very high90.6Very high50 Ų5049.3 Ų49.330%0.30328%0.278SS..THydrogen-bonded Turntrans-68.5124.4179.8172.70000110.4I17 Y23 K106I17-V21 HydrophobicContact CB-CG2 4.25Å; I17-V21 HydrophobicContact CG1-CG2 4.38Å; I17-V21 HydrophobicContact CG2-CB 4.18Å; I17-V21 HydrophobicContact CG2-CG2 4.03Å; I17-V21 WeakPolarHBondContact O-CB 3.44Å; I17-V21 PolarHBondContact O-N 2.87Å; V21-Y23 VanDerWaalsContact C-N 3.32Å; V21-K106 WeakPolarHBondContact O-CD 3.17Å; V21-K106 PolarHBondContact O-NZ 3.13Å
22N90.6Very high90.7Very high89 Ų8949.5 Ų49.548%0.47629%0.286SS..THydrogen-bonded Turntrans64.728.3-170.9-53.6-49.7000114.1Y20 C27Y20-N22 PolarHBondContact O-N 2.87Å; N22-C27 WeakPolarHBondContact CA-O 3.21Å; N22-C27 PolarHBondContact N-O 3.04Å
23Y94.4Very high90.7Very high15 Ų1550.8 Ų50.86%0.05931%0.305CS..BIsolated β-bridgetrans-78.8129.2167.8-172.9-67.6000109.3Y20 V21 C27 I36 D37 I39 D40 P103 K106 P107Y20-Y23 WeakPolarHBondContact O-CB 3.39Å; Y20-Y23 PolarHBondContact O-N 2.98Å; V21-Y23 VanDerWaalsContact C-N 3.32Å; Y23-C27 PolarHBondContact N-O 3.4Å; Y23-C27 WeakPolarHBondContact O-CB 3.45Å; Y23-C27 PolarHBondContact O-N 2.54Å; Y23-I36 HydrophobicContact CE1-CD1 4.36Å; Y23-D37 WeakPolarHBondContact CE1-OD1 3.41Å; Y23-D37 VanDerWaalsContact CE1-OD2 3.27Å; Y23-D37 WeakPolarHBondContact CE1-OD2 3.36Å; Y23-D37 VanDerWaalsContact CZ-OD2 3.3Å; Y23-D37 PolarHBondContact OH-OD2 3.46Å; Y23-I39 HydrophobicContact CD1-CB 4.32Å; Y23-I39 HydrophobicContact CD1-CG2 3.7Å; Y23-I39 HydrophobicContact CD2-CG2 4.2Å; Y23-I39 HydrophobicContact CE1-CB 3.77Å; Y23-I39 HydrophobicContact CE1-CG2 3.64Å; Y23-I39 HydrophobicContact CE2-CD1 4.15Å; Y23-I39 HydrophobicContact CE2-CG2 4.11Å; Y23-I39 HydrophobicContact CG-CG2 4.03Å; Y23-D40 HydrophobicContact CD1-CB 4.47Å; Y23-D40 HydrophobicContact CE1-CB 4.45Å; Y23-P103 HydrophobicContact CD2-CB 4.37Å; Y23-P103 HydrophobicContact CD2-CG 4.17Å; Y23-P103 HydrophobicContact CE2-CB 3.66Å; Y23-P103 HydrophobicContact CE2-CG 3.85Å; Y23-K106 HydrophobicContact CD2-CB 4.5Å; Y23-K106 HydrophobicContact CD2-CG 4.25Å; Y23-P107 HydrophobicContact CD1-CG 4.32Å; Y23-P107 HydrophobicContact CD2-CG 4.44Å; Y23-P107 HydrophobicContact CE1-CG 3.76Å; Y23-P107 VanDerWaalsContact CE2-CD 3.41Å; Y23-P107 HydrophobicContact CE2-CG 3.93Å
24G95.6Very high90.8Very high11 Ų1151.2 Ų51.211%0.11331%0.307CS..BIsolated β-bridgetrans62.2-146.4174.100000114.4P107 C109G24-P107 PolarHBondContact N-O 2.88Å; G24-C109 WeakPolarHBondContact O-CB 3.24Å; G24-C109 PolarHBondContact O-N 2.04Å
25C95.2Very high91.2Very high18 Ų1850.5 Ų50.512%0.12230%0.304CS..THydrogen-bonded Turntrans-100.7-14.7-175.3-660000114.1G31 D40 C109C25-G31 WeakPolarHBondContact O-CA 3.44Å; C25-D40 WeakPolarHBondContact CB-OD2 3.43Å; C25-D40 VanDerWaalsContact N-CG 3.26Å; C25-D40 PolarHBondContact N-OD1 3.3Å; C25-D40 PolarHBondContact N-OD2 2.05Å; C25-C109 HydrophobicContact CB-CB 3.86Å; C25-C109 WeakPolarHBondContact CB-SG 3.37Å; C25-C109 WeakPolarHBondContact SG-CA 3.29Å; C25-C109 WeakPolarHBondContact SG-CB 3.35Å; C25-C109 CovalentContact SG-SG 2.04Å; C25-C109 PolarHBondContact SG-SG 3.19Å
26W95.6Very high91.5Very high27 Ų2749.9 Ų49.910%0.10230%0.303CS..THydrogen-bonded Turntrans-125.9-25.1-172.2-67.488.8000113.8G28 G33 D40 C43 Q44 D47W26-G28 PolarHBondContact O-N 3.27Å; W26-G33 VanDerWaalsContact CZ2-O 3.3Å; W26-G33 WeakPolarHBondContact CZ2-O 3.24Å; W26-G33 PolarHBondContact NE1-O 3.13Å; W26-D40 WeakPolarHBondContact CA-OD1 2.98Å; W26-D40 WeakPolarHBondContact CB-OD1 3.32Å; W26-D40 PolarHBondContact N-OD1 3.19Å; W26-C43 HydrophobicContact CB-CB 3.91Å; W26-Q44 HydrophobicContact CB-CB 4.17Å; W26-Q44 HydrophobicContact CD2-CB 3.6Å; W26-Q44 HydrophobicContact CD2-CG 3.78Å; W26-Q44 HydrophobicContact CE3-CB 3.95Å; W26-Q44 HydrophobicContact CE3-CG 3.94Å; W26-Q44 HydrophobicContact CG-CB 3.7Å; W26-Q44 HydrophobicContact CG-CG 4.37Å; W26-Q44 HydrophobicContact CH2-CG 4.05Å; W26-Q44 HydrophobicContact CZ2-CG 3.89Å; W26-Q44 HydrophobicContact CZ3-CG 4.07Å; W26-D47 HydrophobicContact CE3-CB 4.1Å; W26-D47 HydrophobicContact CZ3-CB 4.26Å
27C94.6Very high91.8Very high9 Ų951.7 Ų51.76%0.06131%0.311CS..BIsolated β-bridgetrans-75.492.8-180-500000111.7Y20 N22 Y23 D40 C43Y20-C27 WeakPolarHBondContact O-CB 3.39Å; N22-C27 WeakPolarHBondContact CA-O 3.21Å; N22-C27 PolarHBondContact N-O 3.04Å; Y23-C27 PolarHBondContact N-O 3.4Å; Y23-C27 WeakPolarHBondContact O-CB 3.45Å; Y23-C27 PolarHBondContact O-N 2.54Å; C27-D40 PolarHBondContact N-OD1 3.01Å; C27-C43 WeakPolarHBondContact CA-SG 3.06Å; C27-C43 HydrophobicContact CB-CB 3.73Å; C27-C43 WeakPolarHBondContact CB-SG 3.41Å; C27-C43 WeakPolarHBondContact SG-CB 3.41Å; C27-C43 CovalentContact SG-SG 2.02Å; C27-C43 PolarHBondContact SG-SG 3.38Å
28G89.9Confident92.2Very high38 Ų3851.4 Ų51.439%0.39231%0.311SS..SBendtrans159.2-146.2179.700000112W26 G30W26-G28 PolarHBondContact O-N 3.27Å; G28-G30 PolarHBondContact O-N 3.39Å
29F84.4Confident92.6Very high134 Ų13448.8 Ų48.859%0.58829%0.292SS*.SBendtrans-83.7111.6173.3-78.2-77.9000110.7M1 Y65M1-F29 HydrophobicContact CE-CE1 4.31Å; M1-F29 HydrophobicContact CE-CZ 3.78Å; M1-F29 HydrophobicContact SD-CE1 4.09Å; M1-F29 HydrophobicContact SD-CE2 4.36Å; M1-F29 HydrophobicContact SD-CZ 3.56Å; M1-F29 VanDerWaalsContact SD-CZ 3.56Å; F29-Y65 HydrophobicContact CE1-CE1 4.15Å
30G82.8Confident92.8Very high47 Ų4745.1 Ų45.149%0.48528%0.278SS..  trans65.8-172.5-176.300000111.9G28G28-G30 PolarHBondContact O-N 3.39Å
31G86Confident93Very high35 Ų3550 Ų5036%0.36130%0.296SS..  trans-178.7161-17900000110C25C25-G31 WeakPolarHBondContact O-CA 3.44Å
32A89.2Confident93.4Very high44 Ų4447.6 Ų47.636%0.36428%0.282SS..  trans-160.1160.8177.800000111.5R111A32-R111 PolarHBondContact O-NH2 3.26Å
33G90.1Very high93.7Very high50 Ų5043.7 Ų43.752%0.51526%0.262SS..SBendtrans70.2-157.9174.900000113.5W26W26-G33 VanDerWaalsContact CZ2-O 3.3Å; W26-G33 WeakPolarHBondContact CZ2-O 3.24Å; W26-G33 PolarHBondContact NE1-O 3.13Å
34E93.9Very high93.8Very high162 Ų16244.9 Ų44.976%0.75727%0.268SS*.  trans-82.9130.4-174.4-166.3170-175.800111.6
35P96.4Very high93.9Very high11 Ų1147.4 Ų47.47%0.07128%0.284CS..  trans-61.2136.5170.1-18.730.3000111.3D37 D40 R41 Q44P35-D37 VanDerWaalsContact C-N 3.33Å; P35-D37 PolarHBondContact O-N 2.99Å; P35-D40 VanDerWaalsContact CA-OD2 3.28Å; P35-D40 WeakPolarHBondContact CA-OD2 3.34Å; P35-D40 HydrophobicContact CB-CB 3.98Å; P35-R41 HydrophobicContact CB-CB 4.09Å; P35-R41 HydrophobicContact CG-CB 4.34Å; P35-Q44 HydrophobicContact CG-CB 4.1Å; P35-Q44 VanDerWaalsContact CG-CD 3.48Å; P35-Q44 HydrophobicContact CG-CG 4.38Å; P35-Q44 VanDerWaalsContact CG-OE1 3.27Å
36I95.8Very high94Very high60 Ų6047.3 Ų47.331%0.30828%0.281SS..SBendtrans-76.4-21.3-176.359.4165.3000113.9Y23 D40 P107Y23-I36 HydrophobicContact CE1-CD1 4.36Å; I36-D40 HydrophobicContact CG1-CB 3.88Å; I36-D40 PolarHBondContact N-OD2 3.13Å; I36-P107 HydrophobicContact CD1-CB 3.63Å; I36-P107 HydrophobicContact CD1-CG 3.47Å; I36-P107 VanDerWaalsContact CD1-CG 3.47Å
37D97Very high94Very high49 Ų4947.1 Ų47.126%0.26228%0.283SS..SBendtrans-162.3-172.6179.359.735.8000110.5Y23 P35 I39 D40 R41Y23-D37 WeakPolarHBondContact CE1-OD1 3.41Å; Y23-D37 VanDerWaalsContact CE1-OD2 3.27Å; Y23-D37 WeakPolarHBondContact CE1-OD2 3.36Å; Y23-D37 VanDerWaalsContact CZ-OD2 3.3Å; Y23-D37 PolarHBondContact OH-OD2 3.46Å; P35-D37 VanDerWaalsContact C-N 3.33Å; P35-D37 PolarHBondContact O-N 2.99Å; D37-I39 WeakPolarHBondContact OD1-CA 3.36Å; D37-I39 WeakPolarHBondContact OD1-CB 3.35Å; D37-I39 PolarHBondContact OD1-N 3.08Å; D37-D40 PolarHBondContact O-N 2.87Å; D37-D40 PolarHBondContact OD1-N 2.79Å; D37-R41 WeakPolarHBondContact O-CB 3.39Å; D37-R41 PolarHBondContact O-N 3.19Å
38N98.1Very high94Very high77 Ų7750.9 Ų50.941%0.41230%0.301SS..Hα-helixtrans-69.4-32.3-179.4-71.9-13.6000113.8R41 C42 E100N38-R41 WeakPolarHBondContact O-CB 3.12Å; N38-R41 PolarHBondContact O-N 2.95Å; N38-C42 PolarHBondContact O-N 2.82Å; N38-C42 PolarHBondContact O-SG 2.04Å; N38-E100 HydrophobicContact CB-CG 4.03Å; N38-E100 WeakPolarHBondContact CB-OE1 3.36Å; N38-E100 PolarHBondContact ND2-OE1 2.89Å
39I97.8Very high94.3Very high7 Ų750.4 Ų50.44%0.03629%0.292CS..Hα-helixtrans-64.4-47175.9-68.8174.5000109Y20 Y23 D37 R41 C42 C43 L97 E100 P103Y20-I39 HydrophobicContact CD1-CG2 3.8Å; Y20-I39 HydrophobicContact CE1-CD1 4.46Å; Y20-I39 HydrophobicContact CE1-CG2 3.9Å; Y23-I39 HydrophobicContact CD1-CB 4.32Å; Y23-I39 HydrophobicContact CD1-CG2 3.7Å; Y23-I39 HydrophobicContact CD2-CG2 4.2Å; Y23-I39 HydrophobicContact CE1-CB 3.77Å; Y23-I39 HydrophobicContact CE1-CG2 3.64Å; Y23-I39 HydrophobicContact CE2-CD1 4.15Å; Y23-I39 HydrophobicContact CE2-CG2 4.11Å; Y23-I39 HydrophobicContact CG-CG2 4.03Å; D37-I39 WeakPolarHBondContact OD1-CA 3.36Å; D37-I39 WeakPolarHBondContact OD1-CB 3.35Å; D37-I39 PolarHBondContact OD1-N 3.08Å; I39-R41 VanDerWaalsContact C-N 3.26Å; I39-R41 PolarHBondContact O-N 2.83Å; I39-C42 VanDerWaalsContact O-CB 3.3Å; I39-C42 WeakPolarHBondContact O-CB 3.45Å; I39-C42 PolarHBondContact O-N 2.83Å; I39-C42 VanDerWaalsContact O-N 3.13Å; I39-C43 PolarHBondContact O-N 3.24Å; I39-C43 PolarHBondContact O-SG 2.93Å; I39-L97 HydrophobicContact CB-CD2 4.46Å; I39-L97 HydrophobicContact CG2-CD2 3.85Å; I39-E100 HydrophobicContact CD1-CB 4.26Å; I39-E100 HydrophobicContact CG1-CB 3.75Å; I39-E100 HydrophobicContact CG1-CG 4.01Å; I39-P103 HydrophobicContact CD1-CB 4.16Å; I39-P103 HydrophobicContact CD1-CG 3.96Å
40D97.3Very high94.7Very high0 Ų045.6 Ų45.60%027%0.27CS..Hα-helixtrans-63.8-33.7176.4-158.332.2000111.6Y23 C25 W26 C27 P35 I36 D37 C43 Q44Y23-D40 HydrophobicContact CD1-CB 4.47Å; Y23-D40 HydrophobicContact CE1-CB 4.45Å; C25-D40 WeakPolarHBondContact CB-OD2 3.43Å; C25-D40 VanDerWaalsContact N-CG 3.26Å; C25-D40 PolarHBondContact N-OD1 3.3Å; C25-D40 PolarHBondContact N-OD2 2.05Å; W26-D40 WeakPolarHBondContact CA-OD1 2.98Å; W26-D40 WeakPolarHBondContact CB-OD1 3.32Å; W26-D40 PolarHBondContact N-OD1 3.19Å; C27-D40 PolarHBondContact N-OD1 3.01Å; P35-D40 VanDerWaalsContact CA-OD2 3.28Å; P35-D40 WeakPolarHBondContact CA-OD2 3.34Å; P35-D40 HydrophobicContact CB-CB 3.98Å; I36-D40 HydrophobicContact CG1-CB 3.88Å; I36-D40 PolarHBondContact N-OD2 3.13Å; D37-D40 PolarHBondContact O-N 2.87Å; D37-D40 PolarHBondContact OD1-N 2.79Å; D40-C43 WeakPolarHBondContact O-CB 3.13Å; D40-C43 PolarHBondContact O-N 3.11Å; D40-Q44 PolarHBondContact O-N 3.32Å
41R98.1Very high95.2Very high116 Ų11646.8 Ų46.844%0.43827%0.265SS..Hα-helixtrans-66.4-34.3173.6-165.9-173-55-74.1-2.6112.7P35 D37 N38 I39 C43 Q44 S45P35-R41 HydrophobicContact CB-CB 4.09Å; P35-R41 HydrophobicContact CG-CB 4.34Å; D37-R41 WeakPolarHBondContact O-CB 3.39Å; D37-R41 PolarHBondContact O-N 3.19Å; N38-R41 WeakPolarHBondContact O-CB 3.12Å; N38-R41 PolarHBondContact O-N 2.95Å; I39-R41 VanDerWaalsContact C-N 3.26Å; I39-R41 PolarHBondContact O-N 2.83Å; R41-C43 VanDerWaalsContact C-N 3.31Å; R41-Q44 PolarHBondContact O-N 3.46Å; R41-S45 PolarHBondContact O-N 2.87Å; R41-S45 PolarHBondContact O-OG 3.29Å
42C98.3Very high95.6Very high1 Ų150.2 Ų50.21%0.00727%0.272CS..Hα-helixtrans-61.4-42.3171.5-63.10000111N38 I39 S45 H46 I93 C96 L97N38-C42 PolarHBondContact O-N 2.82Å; N38-C42 PolarHBondContact O-SG 2.04Å; I39-C42 VanDerWaalsContact O-CB 3.3Å; I39-C42 WeakPolarHBondContact O-CB 3.45Å; I39-C42 PolarHBondContact O-N 2.83Å; I39-C42 VanDerWaalsContact O-N 3.13Å; C42-S45 PolarHBondContact O-N 2.78Å; C42-H46 PolarHBondContact O-N 3.36Å; C42-H46 VanDerWaalsContact O-N 3.11Å; C42-I93 HydrophobicContact CB-CG1 4.33Å; C42-C96 WeakPolarHBondContact CA-SG 3.48Å; C42-C96 HydrophobicContact CB-CB 3.68Å; C42-C96 WeakPolarHBondContact CB-SG 3.26Å; C42-C96 WeakPolarHBondContact SG-CB 3.3Å; C42-C96 CovalentContact SG-SG 2.04Å; C42-C96 PolarHBondContact SG-SG 2.64Å; C42-L97 HydrophobicContact CB-CD2 3.89Å; C42-L97 HydrophobicContact CB-CG 4.27Å
43C97.7Very high95.7Very high6 Ų648.1 Ų48.14%0.04126%0.255CS..Hα-helixtrans-68.6-40.7177.2-59.60000112.6W26 C27 I39 D40 R41 S45 H46 D47W26-C43 HydrophobicContact CB-CB 3.91Å; C27-C43 WeakPolarHBondContact CA-SG 3.06Å; C27-C43 HydrophobicContact CB-CB 3.73Å; C27-C43 WeakPolarHBondContact CB-SG 3.41Å; C27-C43 WeakPolarHBondContact SG-CB 3.41Å; C27-C43 CovalentContact SG-SG 2.02Å; C27-C43 PolarHBondContact SG-SG 3.38Å; I39-C43 PolarHBondContact O-N 3.24Å; I39-C43 PolarHBondContact O-SG 2.93Å; D40-C43 WeakPolarHBondContact O-CB 3.13Å; D40-C43 PolarHBondContact O-N 3.11Å; R41-C43 VanDerWaalsContact C-N 3.31Å; C43-S45 VanDerWaalsContact C-N 3.29Å; C43-S45 PolarHBondContact O-N 3.13Å; C43-H46 WeakPolarHBondContact O-CB 3.33Å; C43-H46 PolarHBondContact O-N 3.45Å; C43-H46 VanDerWaalsContact O-N 3.17Å; C43-D47 PolarHBondContact O-N 3.25Å
44Q96.8Very high95.9Very high40 Ų4048.2 Ų48.219%0.18724%0.243CC..Hα-helixtrans-56-46.6171.7177.3-177.462.900111.5W26 P35 D40 R41 H46 D47 L48W26-Q44 HydrophobicContact CB-CB 4.17Å; W26-Q44 HydrophobicContact CD2-CB 3.6Å; W26-Q44 HydrophobicContact CD2-CG 3.78Å; W26-Q44 HydrophobicContact CE3-CB 3.95Å; W26-Q44 HydrophobicContact CE3-CG 3.94Å; W26-Q44 HydrophobicContact CG-CB 3.7Å; W26-Q44 HydrophobicContact CG-CG 4.37Å; W26-Q44 HydrophobicContact CH2-CG 4.05Å; W26-Q44 HydrophobicContact CZ2-CG 3.89Å; W26-Q44 HydrophobicContact CZ3-CG 4.07Å; P35-Q44 HydrophobicContact CG-CB 4.1Å; P35-Q44 VanDerWaalsContact CG-CD 3.48Å; P35-Q44 HydrophobicContact CG-CG 4.38Å; P35-Q44 VanDerWaalsContact CG-OE1 3.27Å; D40-Q44 PolarHBondContact O-N 3.32Å; R41-Q44 PolarHBondContact O-N 3.46Å; Q44-H46 VanDerWaalsContact C-N 3.26Å; Q44-H46 PolarHBondContact O-N 2.89Å; Q44-D47 PolarHBondContact O-N 3.21Å; Q44-L48 HydrophobicContact CG-CD1 4.02Å; Q44-L48 HydrophobicContact CG-CG 4.44Å; Q44-L48 WeakPolarHBondContact O-CB 3.44Å; Q44-L48 VanDerWaalsContact O-CG 3.27Å; Q44-L48 WeakPolarHBondContact O-CG 3.46Å; Q44-L48 PolarHBondContact O-N 3.25Å
45S97.6Very high95.9Very high65 Ų6548.4 Ų48.446%0.45524%0.241SC..Hα-helixtrans-62.7-35.7-179.8-57.70000111.8R41 C42 C43 C49R41-S45 PolarHBondContact O-N 2.87Å; R41-S45 PolarHBondContact O-OG 3.29Å; C42-S45 PolarHBondContact O-N 2.78Å; C43-S45 VanDerWaalsContact C-N 3.29Å; C43-S45 PolarHBondContact O-N 3.13Å; S45-C49 WeakPolarHBondContact O-CB 3.26Å; S45-C49 PolarHBondContact O-N 2.94Å
46H96.4Very high95.8Very high15 Ų1555.1 Ų55.17%0.06927%0.269CS..Hα-helixtrans-66.1-50.4175.3179.3-100.1000112.7C42 C43 Q44 L48 C49 Y50 D90 I93C42-H46 PolarHBondContact O-N 3.36Å; C42-H46 VanDerWaalsContact O-N 3.11Å; C43-H46 WeakPolarHBondContact O-CB 3.33Å; C43-H46 PolarHBondContact O-N 3.45Å; C43-H46 VanDerWaalsContact O-N 3.17Å; Q44-H46 VanDerWaalsContact C-N 3.26Å; Q44-H46 PolarHBondContact O-N 2.89Å; H46-L48 VanDerWaalsContact C-N 3.29Å; H46-L48 PolarHBondContact O-N 2.99Å; H46-C49 WeakPolarHBondContact O-CA 3.48Å; H46-C49 VanDerWaalsContact O-CB 3.27Å; H46-C49 WeakPolarHBondContact O-CB 3.49Å; H46-C49 PolarHBondContact O-N 3.49Å; H46-Y50 AromaticContact CE1-CE1 3.87Å; H46-Y50 AromaticContact CE1-CE2 3.73Å; H46-Y50 AromaticContact CE1-CZ 3.63Å; H46-Y50 AromaticContact NE2-CE1 3.46Å; H46-Y50 WeakPolarHBondContact NE2-CE1 3.04Å; H46-Y50 AromaticContact NE2-CZ 3.52Å; H46-Y50 PolarHBondContact O-N 3.01Å; H46-D90 IonicContact CD2-OD1 3.7Å; H46-D90 IonicContact CE1-OD1 3.75Å; H46-D90 IonicContact NE2-OD1 3.47Å; H46-D90 PolarHBondContact NE2-OD1 3.38Å; H46-I93 HydrophobicContact CB-CB 4.01Å; H46-I93 HydrophobicContact CB-CD1 3.76Å; H46-I93 HydrophobicContact CB-CG1 4.25Å; H46-I93 HydrophobicContact CB-CG2 4.45Å
47D95.7Very high95.6Very high24 Ų2455.2 Ų55.213%0.12829%0.285CS..Hα-helixtrans-56.6-45.1176.6-84.43.8000111W26 C43 Q44 C49 Y50 D51W26-D47 HydrophobicContact CE3-CB 4.1Å; W26-D47 HydrophobicContact CZ3-CB 4.26Å; C43-D47 PolarHBondContact O-N 3.25Å; Q44-D47 PolarHBondContact O-N 3.21Å; D47-C49 VanDerWaalsContact C-N 3.29Å; D47-C49 PolarHBondContact O-N 3.48Å; D47-Y50 PolarHBondContact O-N 3.35Å; D47-D51 PolarHBondContact O-N 3.31Å
48L95.3Very high95.4Very high87 Ų8754.5 Ų54.546%0.45529%0.286SS..Hα-helixtrans-63.9-33.2176.5-68.8176.6000112.8Q44 H46 H52Q44-L48 HydrophobicContact CG-CD1 4.02Å; Q44-L48 HydrophobicContact CG-CG 4.44Å; Q44-L48 WeakPolarHBondContact O-CB 3.44Å; Q44-L48 VanDerWaalsContact O-CG 3.27Å; Q44-L48 WeakPolarHBondContact O-CG 3.46Å; Q44-L48 PolarHBondContact O-N 3.25Å; H46-L48 VanDerWaalsContact C-N 3.29Å; H46-L48 PolarHBondContact O-N 2.99Å; L48-H52 WeakPolarHBondContact O-CB 3.3Å; L48-H52 PolarHBondContact O-N 2.9Å
49C94.6Very high95Very high28 Ų2851 Ų5119%0.18927%0.267CS..Hα-helixtrans-65.8-43.1175-166.80000111.2S45 H46 D47 H52 A53 C89S45-C49 WeakPolarHBondContact O-CB 3.26Å; S45-C49 PolarHBondContact O-N 2.94Å; H46-C49 WeakPolarHBondContact O-CA 3.48Å; H46-C49 VanDerWaalsContact O-CB 3.27Å; H46-C49 WeakPolarHBondContact O-CB 3.49Å; H46-C49 PolarHBondContact O-N 3.49Å; D47-C49 VanDerWaalsContact C-N 3.29Å; D47-C49 PolarHBondContact O-N 3.48Å; C49-H52 PolarHBondContact O-N 3.04Å; C49-A53 PolarHBondContact O-N 2.96Å; C49-C89 HydrophobicContact CB-CB 3.76Å; C49-C89 WeakPolarHBondContact CB-SG 3.46Å; C49-C89 WeakPolarHBondContact SG-CA 3.49Å; C49-C89 WeakPolarHBondContact SG-CB 3.27Å; C49-C89 CovalentContact SG-SG 2.04Å; C49-C89 PolarHBondContact SG-SG 2.91Å
50Y93.7Very high94.8Very high34 Ų3454 Ų5413%0.13329%0.286CS..Hα-helixtrans-65.4-43.8175-84.921.8000111.9H46 D47 H52 A53 L54 L64 L86 C89 D90H46-Y50 AromaticContact CE1-CE1 3.87Å; H46-Y50 AromaticContact CE1-CE2 3.73Å; H46-Y50 AromaticContact CE1-CZ 3.63Å; H46-Y50 AromaticContact NE2-CE1 3.46Å; H46-Y50 WeakPolarHBondContact NE2-CE1 3.04Å; H46-Y50 AromaticContact NE2-CZ 3.52Å; H46-Y50 PolarHBondContact O-N 3.01Å; D47-Y50 PolarHBondContact O-N 3.35Å; Y50-H52 VanDerWaalsContact C-N 3.28Å; Y50-H52 PolarHBondContact O-N 3.49Å; Y50-A53 WeakPolarHBondContact O-CB 3.46Å; Y50-A53 PolarHBondContact O-N 2.86Å; Y50-A53 VanDerWaalsContact O-N 3.13Å; Y50-L54 WeakPolarHBondContact O-CG 3.05Å; Y50-L54 PolarHBondContact O-N 3.21Å; Y50-L64 HydrophobicContact CD2-CD1 4.13Å; Y50-L64 HydrophobicContact CD2-CD2 4.48Å; Y50-L64 HydrophobicContact CG-CD1 4.48Å; Y50-L64 HydrophobicContact CG-CD2 4.47Å; Y50-L86 HydrophobicContact CD1-CD2 3.96Å; Y50-L86 HydrophobicContact CE1-CD2 3.43Å; Y50-L86 VanDerWaalsContact CE1-CD2 3.43Å; Y50-L86 HydrophobicContact CE2-CD2 4.3Å; Y50-C89 HydrophobicContact CD1-CB 3.81Å; Y50-C89 HydrophobicContact CE1-CB 3.65Å; Y50-D90 PolarHBondContact OH-OD1 2.96Å; Y50-D90 PolarHBondContact OH-OD2 2.97Å
51D93.4Very high94.4Very high72 Ų7259.2 Ų59.239%0.38531%0.313SS..Hα-helixtrans-59.2-40.7174.4-82.2-7.4000111.8D47 L54 K55D47-D51 PolarHBondContact O-N 3.31Å; D51-L54 PolarHBondContact O-N 2.02Å; D51-K55 WeakPolarHBondContact O-CB 3.41Å; D51-K55 VanDerWaalsContact O-CG 3.24Å; D51-K55 WeakPolarHBondContact O-CG 3.45Å; D51-K55 PolarHBondContact O-N 2.79Å
52H94Very high93.9Very high106 Ų10663.2 Ų63.249%0.49133%0.329SS..Hα-helixtrans-65.5-39.9176-176.7-101.5000111.8L48 C49 Y50 L54 K55 K56L48-H52 WeakPolarHBondContact O-CB 3.3Å; L48-H52 PolarHBondContact O-N 2.9Å; C49-H52 PolarHBondContact O-N 3.04Å; Y50-H52 VanDerWaalsContact C-N 3.28Å; Y50-H52 PolarHBondContact O-N 3.49Å; H52-L54 VanDerWaalsContact C-N 3.3Å; H52-L54 PolarHBondContact O-N 3.47Å; H52-K55 PolarHBondContact O-N 2.99Å; H52-K56 WeakPolarHBondContact NE2-CE 3.24Å; H52-K56 WeakPolarHBondContact O-CB 3.46Å; H52-K56 WeakPolarHBondContact O-CG 3.15Å; H52-K56 PolarHBondContact O-N 2.86Å
53A92Very high93.5Very high1 Ų166.5 Ų66.51%0.00834%0.344CS..Hα-helixtrans-59.8-39.9174.800000112.3C49 Y50 G57 A58 C59 V85C49-A53 PolarHBondContact O-N 2.96Å; Y50-A53 WeakPolarHBondContact O-CB 3.46Å; Y50-A53 PolarHBondContact O-N 2.86Å; Y50-A53 VanDerWaalsContact O-N 3.13Å; A53-G57 PolarHBondContact O-N 3.49Å; A53-A58 PolarHBondContact O-N 2.03Å; A53-C59 HydrophobicContact CB-CB 4.33Å; A53-C59 PolarHBondContact O-N 2.88Å; A53-V85 HydrophobicContact CB-CG1 3.55Å
54L93.3Very high93Very high52 Ų5267 Ų6727%0.27235%0.346SS..Hα-helixtrans-67.4-50.1173.6-66177.4000111.9Y50 D51 H52 K56 G57 C59 L61 L64Y50-L54 WeakPolarHBondContact O-CG 3.05Å; Y50-L54 PolarHBondContact O-N 3.21Å; D51-L54 PolarHBondContact O-N 2.02Å; H52-L54 VanDerWaalsContact C-N 3.3Å; H52-L54 PolarHBondContact O-N 3.47Å; L54-K56 VanDerWaalsContact C-N 3.26Å; L54-K56 PolarHBondContact O-N 3.21Å; L54-G57 PolarHBondContact O-N 3.25Å; L54-C59 WeakPolarHBondContact CD2-O 3.14Å; L54-L61 HydrophobicContact CD1-CD1 4.36Å; L54-L64 HydrophobicContact CD1-CD1 3.73Å; L54-L64 HydrophobicContact CD2-CD1 3.79Å; L54-L64 HydrophobicContact CD2-CD2 4.16Å; L54-L64 HydrophobicContact CD2-CG 3.89Å; L54-L64 HydrophobicContact CG-CD1 3.8Å; L54-L64 HydrophobicContact CG-CD2 4.45Å; L54-L64 HydrophobicContact CG-CG 4.36Å
55K94.7Very high92.3Very high165 Ų16570.5 Ų70.572%0.71736%0.358SS*.Hα-helixtrans-60.9-33.6-177.7-75.2170-175.3171.30112.8D51 H52 G57D51-K55 WeakPolarHBondContact O-CB 3.41Å; D51-K55 VanDerWaalsContact O-CG 3.24Å; D51-K55 WeakPolarHBondContact O-CG 3.45Å; D51-K55 PolarHBondContact O-N 2.79Å; H52-K55 PolarHBondContact O-N 2.99Å; K55-G57 VanDerWaalsContact C-N 3.28Å
56K93.2Very high91.6Very high153 Ų15373.1 Ų73.167%0.66537%0.366SS*.THydrogen-bonded Turntrans-81.4-3.9176-69.1-65.9-175.8-178.50113.8H52 L54 A58H52-K56 WeakPolarHBondContact NE2-CE 3.24Å; H52-K56 WeakPolarHBondContact O-CB 3.46Å; H52-K56 WeakPolarHBondContact O-CG 3.15Å; H52-K56 PolarHBondContact O-N 2.86Å; L54-K56 VanDerWaalsContact C-N 3.26Å; L54-K56 PolarHBondContact O-N 3.21Å; K56-A58 PolarHBondContact O-N 2.7Å
57G92.5Very high90.9Very high62 Ų6273.7 Ų73.764%0.63937%0.37SS*.THydrogen-bonded Turntrans66.914.1-174.300000113.8A53 L54 K55 C59A53-G57 PolarHBondContact O-N 3.49Å; L54-G57 PolarHBondContact O-N 3.25Å; K55-G57 VanDerWaalsContact C-N 3.28Å; G57-C59 VanDerWaalsContact C-N 3.27Å
58A91.9Very high90.2Very high33 Ų3377.6 Ų77.627%0.27338%0.383SS..SBendtrans-70.6-29.2176.900000111.6A53 K56 C82 V85A53-A58 PolarHBondContact O-N 2.03Å; K56-A58 PolarHBondContact O-N 2.7Å; A58-C82 VanDerWaalsContact O-CB 3.29Å; A58-C82 WeakPolarHBondContact O-CB 3.43Å; A58-V85 HydrophobicContact CB-CG2 4.1Å
59C91.3Very high89.4Confident4 Ų473.8 Ų73.83%0.02736%0.363CS..SBendtrans-134.7151.5173.7-65.60000110.3A53 L54 G57 Q63 L64 C82A53-C59 HydrophobicContact CB-CB 4.33Å; A53-C59 PolarHBondContact O-N 2.88Å; L54-C59 WeakPolarHBondContact CD2-O 3.14Å; G57-C59 VanDerWaalsContact C-N 3.27Å; C59-Q63 HydrophobicContact CB-CB 4.38Å; C59-L64 HydrophobicContact CB-CD2 3.7Å; C59-C82 HydrophobicContact CB-CB 4.05Å; C59-C82 WeakPolarHBondContact CB-SG 3.47Å; C59-C82 WeakPolarHBondContact SG-CA 3.19Å; C59-C82 WeakPolarHBondContact SG-CB 3.27Å; C59-C82 CovalentContact SG-SG 2.04Å; C59-C82 PolarHBondContact SG-SG 3.38Å
60T92.8Very high88.5Confident71 Ų7181.4 Ų81.444%0.43639%0.388SS..  trans-91.7164.1161.968.10000110.7W62 Q63 L64T60-W62 PolarHBondContact O-N 3.03Å; T60-Q63 WeakPolarHBondContact O-CB 3.47Å; T60-Q63 PolarHBondContact O-N 3.34Å; T60-Q63 WeakPolarHBondContact OG1-CG 3.01Å; T60-Q63 PolarHBondContact OG1-N 3.36Å; T60-Q63 PolarHBondContact OG1-OE1 3.44Å; T60-L64 PolarHBondContact O-N 2.84Å
61L89.3Confident87.5Confident108 Ų10879.9 Ų79.957%0.56538%0.383SS*.Hα-helixtrans-55.4-40.8177-17564.7000111.8L54 L64 Y65L54-L61 HydrophobicContact CD1-CD1 4.36Å; L61-L64 HydrophobicContact CD1-CD1 4.47Å; L61-L64 PolarHBondContact O-N 3.01Å; L61-Y65 HydrophobicContact CD1-CE2 4.08Å; L61-Y65 HydrophobicContact CG-CE2 4.31Å; L61-Y65 WeakPolarHBondContact O-CD2 3.11Å; L61-Y65 WeakPolarHBondContact O-CE2 3.11Å
62W88.4Confident86.3Confident200 Ų20078.7 Ų78.776%0.75838%0.378SS*.Hα-helixtrans-62-43.6175.3-75.8106.7000112.3T60 L64 Y65 I66T60-W62 PolarHBondContact O-N 3.03Å; W62-L64 VanDerWaalsContact C-N 3.3Å; W62-L64 PolarHBondContact O-N 3.23Å; W62-Y65 PolarHBondContact O-N 2.93Å; W62-Y65 VanDerWaalsContact O-N 3.11Å; W62-I66 WeakPolarHBondContact O-CG1 2.99Å; W62-I66 PolarHBondContact O-N 3.38Å
63Q88.5Confident84.8Confident71 Ų7174.9 Ų74.933%0.33236%0.36SS..Hα-helixtrans-63.4-31.3-178.6-75.7173.2-43.500113.3C59 T60 Y65 T67C59-Q63 HydrophobicContact CB-CB 4.38Å; T60-Q63 WeakPolarHBondContact O-CB 3.47Å; T60-Q63 PolarHBondContact O-N 3.34Å; T60-Q63 WeakPolarHBondContact OG1-CG 3.01Å; T60-Q63 PolarHBondContact OG1-N 3.36Å; T60-Q63 PolarHBondContact OG1-OE1 3.44Å; Q63-Y65 PolarHBondContact O-N 3.37Å; Q63-Y65 VanDerWaalsContact O-N 3.15Å; Q63-T67 WeakPolarHBondContact CB-OG1 3.41Å; Q63-T67 WeakPolarHBondContact O-CB 3.49Å; Q63-T67 PolarHBondContact O-N 3.46Å; Q63-T67 VanDerWaalsContact O-N 3.08Å; Q63-T67 PolarHBondContact O-OG1 3.2Å
64L86.8Confident83.5Confident15 Ų1579.9 Ų79.98%0.07938%0.383CS..Hα-helixtrans-57.6-28.9175.2-59-171.5000112.8Y50 L54 C59 T60 L61 W62 L86Y50-L64 HydrophobicContact CD2-CD1 4.13Å; Y50-L64 HydrophobicContact CD2-CD2 4.48Å; Y50-L64 HydrophobicContact CG-CD1 4.48Å; Y50-L64 HydrophobicContact CG-CD2 4.47Å; L54-L64 HydrophobicContact CD1-CD1 3.73Å; L54-L64 HydrophobicContact CD2-CD1 3.79Å; L54-L64 HydrophobicContact CD2-CD2 4.16Å; L54-L64 HydrophobicContact CD2-CG 3.89Å; L54-L64 HydrophobicContact CG-CD1 3.8Å; L54-L64 HydrophobicContact CG-CD2 4.45Å; L54-L64 HydrophobicContact CG-CG 4.36Å; C59-L64 HydrophobicContact CB-CD2 3.7Å; T60-L64 PolarHBondContact O-N 2.84Å; L61-L64 HydrophobicContact CD1-CD1 4.47Å; L61-L64 PolarHBondContact O-N 3.01Å; W62-L64 VanDerWaalsContact C-N 3.3Å; W62-L64 PolarHBondContact O-N 3.23Å; L64-L86 HydrophobicContact CD2-CD2 3.62Å
65Y82.2Confident81.5Confident114 Ų11484.5 Ų84.545%0.44740%0.398SS..Hα-helixtrans-95.8-41.1-176.5-61.8-75000113.4M1 F29 L61 W62 Q63M1-Y65 HydrophobicContact CE-CD1 4.4Å; F29-Y65 HydrophobicContact CE1-CE1 4.15Å; L61-Y65 HydrophobicContact CD1-CE2 4.08Å; L61-Y65 HydrophobicContact CG-CE2 4.31Å; L61-Y65 WeakPolarHBondContact O-CD2 3.11Å; L61-Y65 WeakPolarHBondContact O-CE2 3.11Å; W62-Y65 PolarHBondContact O-N 2.93Å; W62-Y65 VanDerWaalsContact O-N 3.11Å; Q63-Y65 PolarHBondContact O-N 3.37Å; Q63-Y65 VanDerWaalsContact O-N 3.15Å
66I82.6Confident79.6Confident121 Ų12180.3 Ų80.362%0.62138%0.378SS*.Hα-helixtrans-95.9-19.5-169.771.7179.2000114W62 W68W62-I66 WeakPolarHBondContact O-CG1 2.99Å; W62-I66 PolarHBondContact O-N 3.38Å; I66-W68 PolarHBondContact O-N 2.91Å; I66-W68 VanDerWaalsContact O-N 3.15Å
67T83.1Confident77.8Confident26 Ų2681.2 Ų81.216%0.1638%0.382CS..  trans-68.9115.9-175.9-57.70000109.9N3 Q63 A83 L86N3-T67 PolarHBondContact ND2-O 3.27Å; Q63-T67 WeakPolarHBondContact CB-OG1 3.41Å; Q63-T67 WeakPolarHBondContact O-CB 3.49Å; Q63-T67 PolarHBondContact O-N 3.46Å; Q63-T67 VanDerWaalsContact O-N 3.08Å; Q63-T67 PolarHBondContact O-OG1 3.2Å; T67-A83 HydrophobicContact CG2-CB 3.75Å; T67-L86 HydrophobicContact CG2-CD1 4.1Å
68W80.9Confident76.1Confident106 Ų10684.2 Ų84.240%0.40238%0.379SS..  trans-84.2144166-172.1-94000109.6L2 N3 I66 W70 P128L2-W68 HydrophobicContact CB-CZ3 3.95Å; L2-W68 HydrophobicContact CD1-CZ3 4.28Å; N3-W68 VanDerWaalsContact OD1-CE3 3.26Å; I66-W68 PolarHBondContact O-N 2.91Å; I66-W68 VanDerWaalsContact O-N 3.15Å; W68-W70 AromaticContact NE1-CE2 3.91Å; W68-P128 HydrophobicContact CH2-CG 4.43Å
69Y78.5Confident74.7Confident8 Ų892.9 Ų92.93%0.03141%0.405CS..  trans-138.7150.7172.562.1-113.5000110.4N3 C71 A83 L86 C87 D90N3-Y69 HydrophobicContact CB-CD1 4.14Å; N3-Y69 HydrophobicContact CB-CD2 4.42Å; N3-Y69 HydrophobicContact CB-CE1 3.4Å; N3-Y69 VanDerWaalsContact CB-CE1 3.4Å; N3-Y69 HydrophobicContact CB-CE2 3.75Å; N3-Y69 WeakPolarHBondContact CB-OH 3.33Å; N3-Y69 WeakPolarHBondContact ND2-CD1 3.17Å; N3-Y69 VanDerWaalsContact ND2-CE1 3.34Å; N3-Y69 WeakPolarHBondContact ND2-CE1 3.45Å; Y69-C71 HydrophobicContact CD2-CB 3.48Å; Y69-C71 VanDerWaalsContact CD2-CB 3.48Å; Y69-C71 HydrophobicContact CE2-CB 3.37Å; Y69-A83 WeakPolarHBondContact CB-O 3.28Å; Y69-A83 WeakPolarHBondContact CD1-O 3.47Å; Y69-L86 HydrophobicContact CD1-CB 3.8Å; Y69-L86 HydrophobicContact CE1-CB 3.67Å; Y69-C87 HydrophobicContact CD1-CB 4.23Å; Y69-C87 HydrophobicContact CD2-CB 3.7Å; Y69-C87 HydrophobicContact CE1-CB 4.3Å; Y69-C87 HydrophobicContact CE2-CB 3.8Å; Y69-C87 HydrophobicContact CG-CB 3.93Å; Y69-D90 WeakPolarHBondContact OH-CB 3.02Å; Y69-D90 PolarHBondContact OH-OD2 2.77Å
70W74.9Confident73.7Confident187 Ų18798.6 Ų98.671%0.70844%0.44SS*.  trans-95.7117.9161.1-72-83.2000108.2W68 Y76W68-W70 AromaticContact NE1-CE2 3.91Å; W70-Y76 WeakPolarHBondContact O-CE2 2.97Å
71C72.8Confident73.4Confident3 Ų397.1 Ų97.12%0.0243%0.433CS..  trans-118.6138.2-178.4-165.30000109M7 Y69 C87M7-C71 HydrophobicContact CE-CB 3.57Å; M7-C71 WeakPolarHBondContact CE-SG 3.43Å; Y69-C71 HydrophobicContact CD2-CB 3.48Å; Y69-C71 VanDerWaalsContact CD2-CB 3.48Å; Y69-C71 HydrophobicContact CE2-CB 3.37Å; C71-C87 HydrophobicContact CB-CB 3.71Å; C71-C87 WeakPolarHBondContact CB-SG 3.24Å; C71-C87 WeakPolarHBondContact SG-CB 2.75Å; C71-C87 CovalentContact SG-SG 2.03Å; C71-C87 PolarHBondContact SG-SG 2.94Å
72T69.2Low73.4Confident46 Ų4692.5 Ų92.528%0.28241%0.409SS..  trans-116.4152.8169.370.60000108Q74 Y75T72-Q74 PolarHBondContact O-N 3.47Å; T72-Y75 PolarHBondContact OG1-N 3.36Å; T72-Y75 PolarHBondContact OG1-O 2.8Å; T72-Y75 VanDerWaalsContact OG1-O 3.13Å
73F63Low73.3Confident26 Ų2683.9 Ų83.911%0.11438%0.381CS..SBendtrans-67.5-19.8178.9-74-76.1000113.9M7 M11 R91 I132 I134M7-F73 HydrophobicContact SD-CD1 4.36Å; M7-F73 HydrophobicContact SD-CE1 3.44Å; M7-F73 WeakPolarHBondContact SD-CE1 3.33Å; M7-F73 HydrophobicContact SD-CE2 4.2Å; M7-F73 HydrophobicContact SD-CZ 3.37Å; M7-F73 WeakPolarHBondContact SD-CZ 3.17Å; M11-F73 HydrophobicContact CB-CE1 4.36Å; M11-F73 HydrophobicContact CB-CZ 3.97Å; M11-F73 HydrophobicContact CE-CD1 3.46Å; M11-F73 VanDerWaalsContact CE-CD1 3.46Å; M11-F73 HydrophobicContact CE-CE1 3.04Å; M11-F73 HydrophobicContact CE-CE2 4.18Å; M11-F73 HydrophobicContact CE-CG 4.21Å; M11-F73 HydrophobicContact CE-CZ 3.45Å; M11-F73 VanDerWaalsContact CE-CZ 3.45Å; F73-R91 HydrophobicContact CD1-CG 3.92Å; F73-R91 HydrophobicContact CE1-CG 4.25Å; F73-I132 HydrophobicContact CD2-CG2 4.22Å; F73-I132 HydrophobicContact CE2-CG2 3.67Å; F73-I132 HydrophobicContact CZ-CG2 4.22Å; F73-I134 HydrophobicContact CD2-CB 4.25Å; F73-I134 HydrophobicContact CD2-CG1 3.6Å; F73-I134 HydrophobicContact CE2-CD1 4.44Å; F73-I134 HydrophobicContact CE2-CG1 3.48Å; F73-I134 VanDerWaalsContact CE2-CG1 3.48Å
74Q62.9Low73.3Confident107 Ų10780.7 Ų80.750%0.537%0.366SS..SBendtrans-107.6-18.8-170.3-64.6-167.727.300115.4T72 L135T72-Q74 PolarHBondContact O-N 3.47Å; Q74-L135 HydrophobicContact CB-CD1 4.42Å; Q74-L135 HydrophobicContact CG-CB 4.42Å; Q74-L135 PolarHBondContact NE2-O 3.02Å
75Y52.6Low73.4Confident148 Ų14881.4 Ų81.458%0.5837%0.371SS*.  trans-149.9129.9-167.4-169.1-105.2000114.2T72 K77T72-Y75 PolarHBondContact OG1-N 3.36Å; T72-Y75 PolarHBondContact OG1-O 2.8Å; T72-Y75 VanDerWaalsContact OG1-O 3.13Å; Y75-K77 HydrophobicContact CE1-CB 3.75Å; Y75-K77 WeakPolarHBondContact OH-CD 3.14Å; Y75-K77 WeakPolarHBondContact OH-CG 3.27Å
76Y54.3Low73.8Confident77 Ų7776 Ų7630%0.30235%0.35SS..  trans-144.6106.6162.6-138.8-83.4000111.2W70 Q78 A84 C87W70-Y76 WeakPolarHBondContact O-CE2 2.97Å; Y76-Q78 VanDerWaalsContact CD1-O 3.28Å; Y76-Q78 WeakPolarHBondContact CD1-O 3.26Å; Y76-Q78 HydrophobicContact CE1-CB 4.5Å; Y76-Q78 WeakPolarHBondContact CE1-O 3.4Å; Y76-Q78 PolarHBondContact O-N 3.17Å; Y76-A84 HydrophobicContact CD1-CB 3.43Å; Y76-A84 VanDerWaalsContact CD1-CB 3.43Å; Y76-A84 HydrophobicContact CE1-CB 3.12Å; Y76-A84 HydrophobicContact CG-CB 4.44Å; Y76-C87 HydrophobicContact CD2-CB 4.31Å; Y76-C87 WeakPolarHBondContact CD2-SG 3.49Å; Y76-C87 HydrophobicContact CE2-CB 3.94Å; Y76-C87 WeakPolarHBondContact CE2-SG 3.08Å
77K54.6Low74.1Confident172 Ų17270.3 Ų70.375%0.74832%0.321SS*.SBendtrans-71.4-26.6-175.7-162.8177.1-176.5177.20113.5Y75Y75-K77 HydrophobicContact CE1-CB 3.75Å; Y75-K77 WeakPolarHBondContact OH-CD 3.14Å; Y75-K77 WeakPolarHBondContact OH-CG 3.27Å
78Q56.7Low74.5Confident125 Ų12571.9 Ų71.958%0.58433%0.327SS*.  trans-114.794.6-173.3-63.8-169.837.500110Y76 T80 A84Y76-Q78 VanDerWaalsContact CD1-O 3.28Å; Y76-Q78 WeakPolarHBondContact CD1-O 3.26Å; Y76-Q78 HydrophobicContact CE1-CB 4.5Å; Y76-Q78 WeakPolarHBondContact CE1-O 3.4Å; Y76-Q78 PolarHBondContact O-N 3.17Å; Q78-T80 PolarHBondContact O-N 3.03Å; Q78-A84 WeakPolarHBondContact O-CB 3.35Å
79R62.9Low75Confident215 Ų21566.9 Ų66.981%0.81131%0.308SS*.THydrogen-bonded Turntrans-71.7-8.5177.6-79.3-175.4157.2-173.3-6.3114.6
80T70.1Confident75.7Confident124 Ų12466.5 Ų66.576%0.76131%0.306SS*.THydrogen-bonded Turntrans-100-17.1-163.953.20000114.7Q78Q78-T80 PolarHBondContact O-N 3.03Å
81S86.6Confident76.4Confident40 Ų4060.4 Ų60.428%0.2828%0.283SS..SBendtrans-80.3148.5176.472.10000110.6A83 A84 V85S81-A83 PolarHBondContact O-N 3Å; S81-A84 VanDerWaalsContact O-CB 3.24Å; S81-A84 WeakPolarHBondContact O-CB 3.1Å; S81-A84 PolarHBondContact O-N 3.38Å; S81-A84 PolarHBondContact OG-N 2.86Å; S81-V85 PolarHBondContact O-N 3.29Å
82C89.4Confident77.4Confident11 Ų1164.6 Ų64.67%0.07430%0.303CS..Hα-helixtrans-53.2-41.1174.7-178.10000111.8A58 C59 A84 V85 L86A58-C82 VanDerWaalsContact O-CB 3.29Å; A58-C82 WeakPolarHBondContact O-CB 3.43Å; C59-C82 HydrophobicContact CB-CB 4.05Å; C59-C82 WeakPolarHBondContact CB-SG 3.47Å; C59-C82 WeakPolarHBondContact SG-CA 3.19Å; C59-C82 WeakPolarHBondContact SG-CB 3.27Å; C59-C82 CovalentContact SG-SG 2.04Å; C59-C82 PolarHBondContact SG-SG 3.38Å; C82-A84 PolarHBondContact O-N 3.02Å; C82-V85 PolarHBondContact O-N 3.27Å; C82-L86 WeakPolarHBondContact O-CB 3.43Å; C82-L86 VanDerWaalsContact O-CG 3.26Å; C82-L86 WeakPolarHBondContact O-CG 3.46Å; C82-L86 PolarHBondContact O-N 2.97Å
83A87.8Confident78.7Confident19 Ų1963 Ų6316%0.15729%0.292CS..Hα-helixtrans-54.2-39.317600000113.1T67 Y69 S81 C87T67-A83 HydrophobicContact CG2-CB 3.75Å; Y69-A83 WeakPolarHBondContact CB-O 3.28Å; Y69-A83 WeakPolarHBondContact CD1-O 3.47Å; S81-A83 PolarHBondContact O-N 3Å; A83-C87 VanDerWaalsContact O-CB 3.27Å; A83-C87 WeakPolarHBondContact O-CB 3.28Å; A83-C87 PolarHBondContact O-N 3.32Å
84A87.2Confident80.1Confident4 Ų461.8 Ų61.83%0.03329%0.287CS..Hα-helixtrans-70.1-45.8177.800000113.4Y76 Q78 S81 C82 L86 C87 E88Y76-A84 HydrophobicContact CD1-CB 3.43Å; Y76-A84 VanDerWaalsContact CD1-CB 3.43Å; Y76-A84 HydrophobicContact CE1-CB 3.12Å; Y76-A84 HydrophobicContact CG-CB 4.44Å; Q78-A84 WeakPolarHBondContact O-CB 3.35Å; S81-A84 VanDerWaalsContact O-CB 3.24Å; S81-A84 WeakPolarHBondContact O-CB 3.1Å; S81-A84 PolarHBondContact O-N 3.38Å; S81-A84 PolarHBondContact OG-N 2.86Å; C82-A84 PolarHBondContact O-N 3.02Å; A84-L86 VanDerWaalsContact C-N 3.32Å; A84-C87 WeakPolarHBondContact O-CB 3.03Å; A84-C87 PolarHBondContact O-N 2.04Å; A84-E88 PolarHBondContact O-N 3.4Å
85V89.7Confident81.6Confident30 Ų3059.6 Ų59.618%0.18228%0.278CS..Hα-helixtrans-62.7-45.3-179.3-1800000109.3A53 A58 S81 C82 E88 C89A53-V85 HydrophobicContact CB-CG1 3.55Å; A58-V85 HydrophobicContact CB-CG2 4.1Å; S81-V85 PolarHBondContact O-N 3.29Å; C82-V85 PolarHBondContact O-N 3.27Å; V85-E88 PolarHBondContact O-N 3.25Å; V85-C89 PolarHBondContact O-N 2.72Å; V85-C89 PolarHBondContact O-SG 3.49Å
86L90.5Very high83.7Confident1 Ų154.5 Ų54.51%0.00526%0.264CS..Hα-helixtrans-62.3-44.3175.6-64.8179.4000112.3Y50 L64 T67 Y69 C82 A84 E88 C89 D90Y50-L86 HydrophobicContact CD1-CD2 3.96Å; Y50-L86 HydrophobicContact CE1-CD2 3.43Å; Y50-L86 VanDerWaalsContact CE1-CD2 3.43Å; Y50-L86 HydrophobicContact CE2-CD2 4.3Å; L64-L86 HydrophobicContact CD2-CD2 3.62Å; T67-L86 HydrophobicContact CG2-CD1 4.1Å; Y69-L86 HydrophobicContact CD1-CB 3.8Å; Y69-L86 HydrophobicContact CE1-CB 3.67Å; C82-L86 WeakPolarHBondContact O-CB 3.43Å; C82-L86 VanDerWaalsContact O-CG 3.26Å; C82-L86 WeakPolarHBondContact O-CG 3.46Å; C82-L86 PolarHBondContact O-N 2.97Å; A84-L86 VanDerWaalsContact C-N 3.32Å; L86-E88 VanDerWaalsContact C-N 3.31Å; L86-E88 PolarHBondContact O-N 3.19Å; L86-C89 PolarHBondContact O-N 3.03Å; L86-D90 WeakPolarHBondContact O-CB 3.47Å; L86-D90 PolarHBondContact O-N 3.02Å
87C89.6Confident85.7Confident2 Ų251 Ų511%0.01425%0.25CS..Hα-helixtrans-56.2-45174.5156.60000111.9Y69 C71 Y76 A83 A84 R91Y69-C87 HydrophobicContact CD1-CB 4.23Å; Y69-C87 HydrophobicContact CD2-CB 3.7Å; Y69-C87 HydrophobicContact CE1-CB 4.3Å; Y69-C87 HydrophobicContact CE2-CB 3.8Å; Y69-C87 HydrophobicContact CG-CB 3.93Å; C71-C87 HydrophobicContact CB-CB 3.71Å; C71-C87 WeakPolarHBondContact CB-SG 3.24Å; C71-C87 WeakPolarHBondContact SG-CB 2.75Å; C71-C87 CovalentContact SG-SG 2.03Å; C71-C87 PolarHBondContact SG-SG 2.94Å; Y76-C87 HydrophobicContact CD2-CB 4.31Å; Y76-C87 WeakPolarHBondContact CD2-SG 3.49Å; Y76-C87 HydrophobicContact CE2-CB 3.94Å; Y76-C87 WeakPolarHBondContact CE2-SG 3.08Å; A83-C87 VanDerWaalsContact O-CB 3.27Å; A83-C87 WeakPolarHBondContact O-CB 3.28Å; A83-C87 PolarHBondContact O-N 3.32Å; A84-C87 WeakPolarHBondContact O-CB 3.03Å; A84-C87 PolarHBondContact O-N 2.04Å; C87-R91 WeakPolarHBondContact O-CB 3.47Å; C87-R91 PolarHBondContact O-N 3.27Å
88E89.8Confident87.7Confident58 Ų5845 Ų4527%0.27123%0.233SC..Hα-helixtrans-67.6-44.1178.8-178.256.8-162.200112A84 V85 L86 D90 R91 Q92A84-E88 PolarHBondContact O-N 3.4Å; V85-E88 PolarHBondContact O-N 3.25Å; L86-E88 VanDerWaalsContact C-N 3.31Å; L86-E88 PolarHBondContact O-N 3.19Å; E88-D90 PolarHBondContact O-N 3.17Å; E88-R91 PolarHBondContact O-N 3.3Å; E88-R91 IonicContact OE1-CZ 3.65Å; E88-R91 IonicContact OE1-NE 3.89Å; E88-R91 IonicContact OE1-NH2 2.93Å; E88-R91 PolarHBondContact OE1-NH2 2.93Å; E88-R91 IonicContact OE2-CZ 3.05Å; E88-R91 IonicContact OE2-NE 2.66Å; E88-R91 PolarHBondContact OE2-NE 3.03Å; E88-R91 IonicContact OE2-NH2 3.47Å; E88-R91 PolarHBondContact OE2-NH2 2.9Å; E88-Q92 WeakPolarHBondContact O-CB 3.48Å; E88-Q92 VanDerWaalsContact O-CG 3.26Å; E88-Q92 WeakPolarHBondContact O-CG 3.38Å; E88-Q92 PolarHBondContact O-N 2.04Å; E88-Q92 WeakPolarHBondContact OE1-CG 3.07Å; E88-Q92 PolarHBondContact OE1-NE2 2.98Å
89C92.6Very high89.7Confident1 Ų147.2 Ų47.21%0.00724%0.241CC..Hα-helixtrans-58.5-48.6175.4-64.40000111.6C49 Y50 V85 L86 R91 Q92 I93C49-C89 HydrophobicContact CB-CB 3.76Å; C49-C89 WeakPolarHBondContact CB-SG 3.46Å; C49-C89 WeakPolarHBondContact SG-CA 3.49Å; C49-C89 WeakPolarHBondContact SG-CB 3.27Å; C49-C89 CovalentContact SG-SG 2.04Å; C49-C89 PolarHBondContact SG-SG 2.91Å; Y50-C89 HydrophobicContact CD1-CB 3.81Å; Y50-C89 HydrophobicContact CE1-CB 3.65Å; V85-C89 PolarHBondContact O-N 2.72Å; V85-C89 PolarHBondContact O-SG 3.49Å; L86-C89 PolarHBondContact O-N 3.03Å; C89-R91 PolarHBondContact O-N 3.23Å; C89-Q92 PolarHBondContact O-N 3.45Å; C89-I93 PolarHBondContact O-N 2.86Å
90D92.6Very high91.3Very high0 Ų039.6 Ų39.60%021%0.214CC..Hα-helixtrans-68.3-34.3-179.3-75.3-2.6000111.7L4 M7 H46 Y50 Y69 L86 E88 I93 A94L4-D90 VanDerWaalsContact CA-OD2 3.26Å; L4-D90 WeakPolarHBondContact CA-OD2 3.38Å; L4-D90 WeakPolarHBondContact CB-OD2 3.49Å; L4-D90 HydrophobicContact CD1-CB 4.18Å; L4-D90 PolarHBondContact N-OD2 3.34Å; M7-D90 HydrophobicContact CB-CB 4.36Å; M7-D90 HydrophobicContact CG-CB 4.4Å; M7-D90 VanDerWaalsContact CG-O 3.24Å; M7-D90 WeakPolarHBondContact CG-O 3.39Å; H46-D90 IonicContact CD2-OD1 3.7Å; H46-D90 IonicContact CE1-OD1 3.75Å; H46-D90 IonicContact NE2-OD1 3.47Å; H46-D90 PolarHBondContact NE2-OD1 3.38Å; Y50-D90 PolarHBondContact OH-OD1 2.96Å; Y50-D90 PolarHBondContact OH-OD2 2.97Å; Y69-D90 WeakPolarHBondContact OH-CB 3.02Å; Y69-D90 PolarHBondContact OH-OD2 2.77Å; L86-D90 WeakPolarHBondContact O-CB 3.47Å; L86-D90 PolarHBondContact O-N 3.02Å; E88-D90 PolarHBondContact O-N 3.17Å; D90-I93 WeakPolarHBondContact O-CG2 3.34Å; D90-A94 PolarHBondContact O-N 3.1Å
91R90.4Very high92.6Very high60 Ų6038.6 Ų38.623%0.22621%0.21CC..Hα-helixtrans-64.5-43.5173.5-172.3-172.276.785.611111.3M7 F73 C87 E88 C89 A94 L95M7-R91 HydrophobicContact CE-CB 4.22Å; F73-R91 HydrophobicContact CD1-CG 3.92Å; F73-R91 HydrophobicContact CE1-CG 4.25Å; C87-R91 WeakPolarHBondContact O-CB 3.47Å; C87-R91 PolarHBondContact O-N 3.27Å; E88-R91 PolarHBondContact O-N 3.3Å; E88-R91 IonicContact OE1-CZ 3.65Å; E88-R91 IonicContact OE1-NE 3.89Å; E88-R91 IonicContact OE1-NH2 2.93Å; E88-R91 PolarHBondContact OE1-NH2 2.93Å; E88-R91 IonicContact OE2-CZ 3.05Å; E88-R91 IonicContact OE2-NE 2.66Å; E88-R91 PolarHBondContact OE2-NE 3.03Å; E88-R91 IonicContact OE2-NH2 3.47Å; E88-R91 PolarHBondContact OE2-NH2 2.9Å; C89-R91 PolarHBondContact O-N 3.23Å; R91-A94 PolarHBondContact O-N 3.06Å; R91-L95 HydrophobicContact CG-CD1 4.16Å; R91-L95 WeakPolarHBondContact O-CG 3.33Å; R91-L95 PolarHBondContact O-N 3.38Å
92Q93.4Very high93Very high91 Ų9140.2 Ų40.243%0.42522%0.215SC..Hα-helixtrans-64.5-44.3-178.4-76176.88.200112.4E88 C89 L95 C96E88-Q92 WeakPolarHBondContact O-CB 3.48Å; E88-Q92 VanDerWaalsContact O-CG 3.26Å; E88-Q92 WeakPolarHBondContact O-CG 3.38Å; E88-Q92 PolarHBondContact O-N 2.04Å; E88-Q92 WeakPolarHBondContact OE1-CG 3.07Å; E88-Q92 PolarHBondContact OE1-NE2 2.98Å; C89-Q92 PolarHBondContact O-N 3.45Å; Q92-L95 PolarHBondContact O-N 3.15Å; Q92-C96 WeakPolarHBondContact O-CB 3.34Å; Q92-C96 PolarHBondContact O-N 2.92Å
93I94.9Very high93.3Very high13 Ų1340.4 Ų40.47%0.06722%0.216CC..Hα-helixtrans-63.6-42.3176-175.1179.8000111.3L4 C42 H46 C89 D90 L95 C96 L97L4-I93 HydrophobicContact CD1-CD1 4.43Å; L4-I93 HydrophobicContact CD1-CG2 3.36Å; C42-I93 HydrophobicContact CB-CG1 4.33Å; H46-I93 HydrophobicContact CB-CB 4.01Å; H46-I93 HydrophobicContact CB-CD1 3.76Å; H46-I93 HydrophobicContact CB-CG1 4.25Å; H46-I93 HydrophobicContact CB-CG2 4.45Å; C89-I93 PolarHBondContact O-N 2.86Å; D90-I93 WeakPolarHBondContact O-CG2 3.34Å; I93-L95 VanDerWaalsContact C-N 3.34Å; I93-L95 PolarHBondContact O-N 3.01Å; I93-C96 WeakPolarHBondContact O-CB 3.37Å; I93-C96 PolarHBondContact O-N 3.35Å; I93-C96 VanDerWaalsContact O-N 3.13Å; I93-L97 HydrophobicContact CD1-CD1 4.36Å; I93-L97 HydrophobicContact CG1-CD1 3.95Å; I93-L97 HydrophobicContact CG1-CG 4.11Å; I93-L97 VanDerWaalsContact O-CG 3.29Å; I93-L97 WeakPolarHBondContact O-CG 3.04Å; I93-L97 PolarHBondContact O-N 3.03Å
94A93.1Very high93.6Very high0 Ų046.3 Ų46.30%025%0.245CC..Hα-helixtrans-61.1-42.1177.500000112.3M7 V8 M11 D90 R91 C96 A98M7-A94 HydrophobicContact CG-CB 3.69Å; V8-A94 HydrophobicContact CG2-CB 4.19Å; M11-A94 HydrophobicContact CB-CB 3.91Å; M11-A94 HydrophobicContact CG-CB 4.13Å; M11-A94 WeakPolarHBondContact CG-O 3.36Å; D90-A94 PolarHBondContact O-N 3.1Å; R91-A94 PolarHBondContact O-N 3.06Å; A94-C96 VanDerWaalsContact C-N 3.35Å; A94-A98 WeakPolarHBondContact O-CB 3.03Å; A94-A98 PolarHBondContact O-N 3.13Å
95L93.7Very high93.9Very high61 Ų6154.7 Ų54.732%0.31928%0.281SS..Hα-helixtrans-67.6-32.8174.2-72.8170.7000113.3M11 R91 Q92 I93M11-L95 HydrophobicContact CE-CD2 3.51Å; M11-L95 HydrophobicContact CE-CG 4.26Å; M11-L95 HydrophobicContact SD-CD2 4.32Å; R91-L95 HydrophobicContact CG-CD1 4.16Å; R91-L95 WeakPolarHBondContact O-CG 3.33Å; R91-L95 PolarHBondContact O-N 3.38Å; Q92-L95 PolarHBondContact O-N 3.15Å; I93-L95 VanDerWaalsContact C-N 3.34Å; I93-L95 PolarHBondContact O-N 3.01Å
96C97.9Very high94Very high40 Ų4057.4 Ų57.427%0.2729%0.29SS..Hα-helixtrans-67.9-49.9175.8-172.70000110.5C42 Q92 I93 A94 A98 K99C42-C96 WeakPolarHBondContact CA-SG 3.48Å; C42-C96 HydrophobicContact CB-CB 3.68Å; C42-C96 WeakPolarHBondContact CB-SG 3.26Å; C42-C96 WeakPolarHBondContact SG-CB 3.3Å; C42-C96 CovalentContact SG-SG 2.04Å; C42-C96 PolarHBondContact SG-SG 2.64Å; Q92-C96 WeakPolarHBondContact O-CB 3.34Å; Q92-C96 PolarHBondContact O-N 2.92Å; I93-C96 WeakPolarHBondContact O-CB 3.37Å; I93-C96 PolarHBondContact O-N 3.35Å; I93-C96 VanDerWaalsContact O-N 3.13Å; A94-C96 VanDerWaalsContact C-N 3.35Å; C96-A98 PolarHBondContact O-N 3.37Å; C96-K99 WeakPolarHBondContact O-CB 3.29Å; C96-K99 PolarHBondContact O-N 3.22Å; C96-K99 VanDerWaalsContact O-N 3.08Å
97L97.1Very high94.1Very high3 Ų359.7 Ų59.72%0.01631%0.305CS..Hα-helixtrans-61.4-31.4177.2-65.5174.8000112.4V8 L12 Y20 I39 C42 I93 K99 E100V8-L97 HydrophobicContact CG1-CD1 4.09Å; V8-L97 HydrophobicContact CG2-CD1 4.14Å; L12-L97 HydrophobicContact CD1-CB 3.92Å; Y20-L97 HydrophobicContact CD1-CD1 4.42Å; Y20-L97 HydrophobicContact CD1-CD2 4.1Å; Y20-L97 HydrophobicContact CD2-CD1 4.08Å; Y20-L97 HydrophobicContact CE1-CD1 4.36Å; Y20-L97 HydrophobicContact CE1-CD2 3.83Å; Y20-L97 HydrophobicContact CE2-CD1 3.97Å; Y20-L97 HydrophobicContact CG-CD1 4.3Å; I39-L97 HydrophobicContact CB-CD2 4.46Å; I39-L97 HydrophobicContact CG2-CD2 3.85Å; C42-L97 HydrophobicContact CB-CD2 3.89Å; C42-L97 HydrophobicContact CB-CG 4.27Å; I93-L97 HydrophobicContact CD1-CD1 4.36Å; I93-L97 HydrophobicContact CG1-CD1 3.95Å; I93-L97 HydrophobicContact CG1-CG 4.11Å; I93-L97 VanDerWaalsContact O-CG 3.29Å; I93-L97 WeakPolarHBondContact O-CG 3.04Å; I93-L97 PolarHBondContact O-N 3.03Å; L97-K99 PolarHBondContact O-N 2.98Å; L97-E100 PolarHBondContact O-N 3.34Å; L97-E100 VanDerWaalsContact O-N 3.13Å
98A95.8Very high94.2Very high48 Ų4867.9 Ų67.940%0.39734%0.34SS..THydrogen-bonded Turntrans-65.3-15.8176.800000114.5M11 L12 A94 C96M11-A98 HydrophobicContact CG-CB 3.95Å; M11-A98 HydrophobicContact SD-CB 4.09Å; L12-A98 VanDerWaalsContact CD2-CA 3.43Å; L12-A98 HydrophobicContact CD2-CB 3.61Å; A94-A98 WeakPolarHBondContact O-CB 3.03Å; A94-A98 PolarHBondContact O-N 3.13Å; C96-A98 PolarHBondContact O-N 3.37Å
99K97.8Very high94.2Very high170 Ų17065.9 Ų65.974%0.73933%0.332SS*.THydrogen-bonded Turntrans-86.1-13.1176.4-62.2172-176.5179.50112.8C96 L97C96-K99 WeakPolarHBondContact O-CB 3.29Å; C96-K99 PolarHBondContact O-N 3.22Å; C96-K99 VanDerWaalsContact O-N 3.08Å; L97-K99 PolarHBondContact O-N 2.98Å
100E97.5Very high93.5Very high56 Ų5673.1 Ų73.126%0.26237%0.371SS..SBendtrans-107.3150.9-175.7-61.1-61149.500110.3N38 I39 L97N38-E100 HydrophobicContact CB-CG 4.03Å; N38-E100 WeakPolarHBondContact CB-OE1 3.36Å; N38-E100 PolarHBondContact ND2-OE1 2.89Å; I39-E100 HydrophobicContact CD1-CB 4.26Å; I39-E100 HydrophobicContact CG1-CB 3.75Å; I39-E100 HydrophobicContact CG1-CG 4.01Å; L97-E100 PolarHBondContact O-N 3.34Å; L97-E100 VanDerWaalsContact O-N 3.13Å
101P96.6Very high92.3Very high102 Ų10277.8 Ų77.866%0.66239%0.389SS*.PPolyproline II helixtrans-64.1139.9174.327.4-34.2000110.7P103P101-P103 WeakPolarHBondContact O-CD 3.49Å; P101-P103 VanDerWaalsContact O-N 3.15Å
102I95.8Very high90.6Very high74 Ų7481.9 Ų81.938%0.37942%0.421SS..PPolyproline II helixtrans-60.6120.2177.7-63.8163.8000109.1I14I14-I102 HydrophobicContact CD1-CG1 4.3Å; I14-I102 HydrophobicContact CD1-CG2 3.89Å; I14-I102 HydrophobicContact CG2-CD1 3.77Å; I14-I102 HydrophobicContact CG2-CG2 4.46Å
103P94.9Very high88.3Confident16 Ų1682.8 Ų82.810%0.10443%0.433CS..PPolyproline II helixtrans-73.7138.3-174.628.8-35.1000111.3R19 Y20 Y23 I39 P101R19-P103 WeakPolarHBondContact CD-O 3.12Å; R19-P103 PolarHBondContact NH1-O 2.98Å; Y20-P103 HydrophobicContact CD1-CG 4.26Å; Y20-P103 HydrophobicContact CE1-CG 3.75Å; Y23-P103 HydrophobicContact CD2-CB 4.37Å; Y23-P103 HydrophobicContact CD2-CG 4.17Å; Y23-P103 HydrophobicContact CE2-CB 3.66Å; Y23-P103 HydrophobicContact CE2-CG 3.85Å; I39-P103 HydrophobicContact CD1-CB 4.16Å; I39-P103 HydrophobicContact CD1-CG 3.96Å; P101-P103 WeakPolarHBondContact O-CD 3.49Å; P101-P103 VanDerWaalsContact O-N 3.15Å
104N93.7Very high86.2Confident142 Ų14285.3 Ų85.376%0.75945%0.451SS*.SBendtrans-93.3-9173.1-69.8-42.5000113.4R19R19-N104 PolarHBondContact NH1-OD1 3.2Å
105K94Very high83.8Confident181 Ų18195.1 Ų95.179%0.78749%0.494SS*.SBendtrans-139155.2176.9-61.9-176.2-176.8177.20109.1P107K105-P107 WeakPolarHBondContact O-CD 3.43Å
106K92.8Very high81.3Confident87 Ų87101.9 Ų101.938%0.37852%0.521SS..  trans-107.395.7175-66.5-169.8-72.2-171.20109.3S18 R19 V21 Y23S18-K106 WeakPolarHBondContact O-CD 3.39Å; S18-K106 WeakPolarHBondContact O-CE 3.4Å; S18-K106 PolarHBondContact O-NZ 2.73Å; R19-K106 WeakPolarHBondContact O-CD 3.11Å; R19-K106 WeakPolarHBondContact O-CG 3.43Å; V21-K106 WeakPolarHBondContact O-CD 3.17Å; V21-K106 PolarHBondContact O-NZ 3.13Å; Y23-K106 HydrophobicContact CD2-CB 4.5Å; Y23-K106 HydrophobicContact CD2-CG 4.25Å
107P92.9Very high78.5Confident49 Ų49109.4 Ų109.432%0.31855%0.549SS..PPolyproline II helixtrans-57.9142.4171.126.5-34.1000109.4Y23 G24 I36 K105Y23-P107 HydrophobicContact CD1-CG 4.32Å; Y23-P107 HydrophobicContact CD2-CG 4.44Å; Y23-P107 HydrophobicContact CE1-CG 3.76Å; Y23-P107 VanDerWaalsContact CE2-CD 3.41Å; Y23-P107 HydrophobicContact CE2-CG 3.93Å; G24-P107 PolarHBondContact N-O 2.88Å; I36-P107 HydrophobicContact CD1-CB 3.63Å; I36-P107 HydrophobicContact CD1-CG 3.47Å; I36-P107 VanDerWaalsContact CD1-CG 3.47Å; K105-P107 WeakPolarHBondContact O-CD 3.43Å
108K91Very high75.6Confident173 Ų173116 Ų11675%0.75258%0.583SS**BIsolated β-bridgetrans-84.8154.6174.1-66.2-179.9-179.3171.60108.9N110K108-N110 PolarHBondContact O-N 2.97Å
109C89.3Confident73Confident16 Ų16119.2 Ų119.211%0.10859%0.593CS.*PPolyproline II helixtrans-57.1126.2164.9-1690000110.6G24 C25 R111G24-C109 WeakPolarHBondContact O-CB 3.24Å; G24-C109 PolarHBondContact O-N 2.04Å; C25-C109 HydrophobicContact CB-CB 3.86Å; C25-C109 WeakPolarHBondContact CB-SG 3.37Å; C25-C109 WeakPolarHBondContact SG-CA 3.29Å; C25-C109 WeakPolarHBondContact SG-CB 3.35Å; C25-C109 CovalentContact SG-SG 2.04Å; C25-C109 PolarHBondContact SG-SG 3.19Å; C109-R111 PolarHBondContact O-N 2.89Å; C109-R111 VanDerWaalsContact SG-CZ 3.57Å
110N77.7Confident69.7Low154 Ų154120.4 Ų120.482%0.82459%0.594SS**  trans-75.422.1-178.1-75.1-13.6000114.3K108K108-N110 PolarHBondContact O-N 2.97Å
111R67.2Low66.6Low97 Ų97122.3 Ų122.337%0.36661%0.614SS.*  trans-87.2132.3174-73-170.6-94.21110.4110.9A32 C109 T113A32-R111 PolarHBondContact O-NH2 3.26Å; C109-R111 PolarHBondContact O-N 2.89Å; C109-R111 VanDerWaalsContact SG-CZ 3.57Å; R111-T113 PolarHBondContact O-N 2.67Å
112T54.6Low63.6Low147 Ų147121.6 Ų121.690%0.90260%0.604SS**THydrogen-bonded Turntrans-60.9-8.6176.235.10000114.5
113T46.8Very low60.4Low110 Ų110126.6 Ų126.668%0.67562%0.623SS**THydrogen-bonded Turntrans-141.452.2-174.251.10000113.1R111 K115R111-T113 PolarHBondContact O-N 2.67Å; T113-K115 VanDerWaalsContact C-N 3.33Å; T113-K115 PolarHBondContact O-N 3.08Å
114S49.2Very low57.6Low66 Ų66129.9 Ų129.946%0.46264%0.636SS.*  trans-71.993.7160.1-76.40000109K116S114-K116 PolarHBondContact O-N 3.15Å
115K44.5Very low54.6Low205 Ų205133.7 Ų133.789%0.89164%0.64SS**  trans-53.9103.4162.1-78.3-177.7178177.20106.9T113 K117T113-K115 VanDerWaalsContact C-N 3.33Å; T113-K115 PolarHBondContact O-N 3.08Å; K115-K117 PolarHBondContact O-N 3.11Å
116K41.1Very low51.8Low204 Ų204134.2 Ų134.289%0.88764%0.643SS**  trans-58.7106.3173.7-71.4176.6-179.4173.10107.5S114 L118S114-K116 PolarHBondContact O-N 3.15Å; K116-L118 PolarHBondContact O-N 3.45Å
117K38Very low49.4Very low198 Ų198137.2 Ų137.286%0.86165%0.651SS**  trans-76.1124.2163-143.8170.3-173.1-179.70106.5K115 L119K115-K117 PolarHBondContact O-N 3.11Å; K117-L119 PolarHBondContact O-N 3.33Å
118L36Very low46.9Very low140 Ų140138.3 Ų138.373%0.73366%0.659SS**  trans-51.5124.4-171.9-167.470.8000110.6K116 Y120K116-L118 PolarHBondContact O-N 3.45Å; L118-Y120 PolarHBondContact O-N 3.22Å
119L41Very low44.9Very low117 Ų117141.2 Ų141.261%0.61367%0.665SS**  trans-59.8106.6167.4-76.3154.4000107.7K117 S121K117-L119 PolarHBondContact O-N 3.33Å; L119-S121 PolarHBondContact O-N 3.2Å; L119-S121 VanDerWaalsContact O-N 3.1Å
120Y29.8Very low43.2Very low194 Ų194142 Ų14276%0.76167%0.67SS**  trans-65.2111.6149.9-76.5-78.2000105.6L118 L122L118-Y120 PolarHBondContact O-N 3.22Å; Y120-L122 PolarHBondContact O-N 3.3Å
121S31.8Very low42Very low97 Ų97138.2 Ų138.268%0.67866%0.656SS**  trans-55.790.5170.651.10000108.6L119 K123L119-S121 PolarHBondContact O-N 3.2Å; L119-S121 VanDerWaalsContact O-N 3.1Å; S121-K123 PolarHBondContact O-N 3.01Å
122L34.6Very low41.3Very low87 Ų87134.5 Ų134.546%0.45564%0.643SS.*  trans-69.683.6166.3-80.4149.1000106.9M1 Y120 F124M1-L122 HydrophobicContact CE-CD1 3.5Å; M1-L122 HydrophobicContact SD-CD1 3.97Å; Y120-L122 PolarHBondContact O-N 3.3Å; L122-F124 HydrophobicContact CB-CD2 3.73Å; L122-F124 HydrophobicContact CB-CE2 3.51Å; L122-F124 HydrophobicContact CB-CZ 4.14Å; L122-F124 HydrophobicContact CD1-CE2 4.01Å; L122-F124 HydrophobicContact CD1-CZ 4.19Å; L122-F124 HydrophobicContact CD2-CE1 3.94Å; L122-F124 HydrophobicContact CD2-CE2 3.85Å; L122-F124 HydrophobicContact CD2-CZ 3.54Å; L122-F124 HydrophobicContact CG-CE2 3.98Å; L122-F124 HydrophobicContact CG-CZ 4.16Å; L122-F124 PolarHBondContact O-N 3.47Å
123K27.6Very low41Very low178 Ų178134.7 Ų134.777%0.77463%0.631SS**  trans-6681.2157.6-69.6-175.2174.2-178.90106.5S121 R125S121-K123 PolarHBondContact O-N 3.01Å; K123-R125 PolarHBondContact O-N 3.26Å
124F36.7Very low41Very low86 Ų86133.5 Ų133.538%0.37762%0.62SS.*  trans-70.281.3165.9-73.1-68.8000108.3M1 L2 I17 L122M1-F124 HydrophobicContact CB-CZ 4.49Å; L2-F124 HydrophobicContact CD1-CE1 4.09Å; L2-F124 HydrophobicContact CD2-CD1 3.38Å; L2-F124 HydrophobicContact CD2-CE1 3.32Å; L2-F124 HydrophobicContact CD2-CG 4.09Å; L2-F124 HydrophobicContact CD2-CZ 3.97Å; L2-F124 HydrophobicContact CG-CD1 4.06Å; L2-F124 HydrophobicContact CG-CE1 3.5Å; L2-F124 VanDerWaalsContact CG-CE1 3.5Å; L2-F124 HydrophobicContact CG-CZ 4.08Å; I17-F124 HydrophobicContact CD1-CD2 4.44Å; L122-F124 HydrophobicContact CB-CD2 3.73Å; L122-F124 HydrophobicContact CB-CE2 3.51Å; L122-F124 HydrophobicContact CB-CZ 4.14Å; L122-F124 HydrophobicContact CD1-CE2 4.01Å; L122-F124 HydrophobicContact CD1-CZ 4.19Å; L122-F124 HydrophobicContact CD2-CE1 3.94Å; L122-F124 HydrophobicContact CD2-CE2 3.85Å; L122-F124 HydrophobicContact CD2-CZ 3.54Å; L122-F124 HydrophobicContact CG-CE2 3.98Å; L122-F124 HydrophobicContact CG-CZ 4.16Å; L122-F124 PolarHBondContact O-N 3.47Å
125R29.6Very low40.6Very low222 Ų222134.4 Ų134.484%0.83862%0.619SS**  trans-73.3138.5156.3-81.1-177.3176.7-147.1-1.7107.1K123K123-R125 PolarHBondContact O-N 3.26Å
126F35.4Very low40.2Very low192 Ų192129.6 Ų129.684%0.84261%0.611SS**  trans68.694.7-171.3-84-94.3000115.2P128F126-P128 WeakPolarHBondContact O-CD 3.45Å
127R42Very low39.9Very low149 Ų149133.8 Ų133.856%0.56262%0.622SS**  trans-76.9103.1153-83.7177.7165.4-168.7-7.2108E9 R129E9-R127 IonicContact OE1-CZ 3.73Å; E9-R127 IonicContact OE1-NE 3.58Å; E9-R127 IonicContact OE1-NH1 2.72Å; E9-R127 PolarHBondContact OE1-NH1 3.49Å; E9-R127 IonicContact OE1-NH2 2.85Å; E9-R127 PolarHBondContact OE1-NH2 3.28Å; E9-R127 IonicContact OE2-CZ 3.29Å; E9-R127 IonicContact OE2-NE 2.83Å; E9-R127 PolarHBondContact OE2-NE 3.08Å; E9-R127 IonicContact OE2-NH1 2.82Å; E9-R127 IonicContact OE2-NH2 2.68Å; E9-R127 PolarHBondContact OE2-NH2 2.96Å; R127-R129 PolarHBondContact O-N 3.49Å
128P40.1Very low40Very low73 Ų73130.6 Ų130.647%0.47461%0.61SS.*PPolyproline II helixtrans-58.4135.6152.425.6-30000107W68 F126 C130W68-P128 HydrophobicContact CH2-CG 4.43Å; F126-P128 WeakPolarHBondContact O-CD 3.45Å; P128-C130 PolarHBondContact O-N 3.19Å
129R50Low40.2Very low234 Ų234130.1 Ų130.188%0.88360%0.603SS**PPolyproline II helixtrans-46.7120.5172.3-91.2178.6-164.3-139.42.3107.7R127 S131R127-R129 PolarHBondContact O-N 3.49Å; R129-S131 PolarHBondContact O-N 3.42Å; R129-S131 PolarHBondContact O-OG 3.36Å
130C52.7Low40.1Very low32 Ų32130.8 Ų130.822%0.21660%0.603CS.*PPolyproline II helixtrans-52.3119.4173.9-59.80000107.4C6 C10 P128 I132C6-C130 WeakPolarHBondContact CA-SG 3.47Å; C6-C130 HydrophobicContact CB-CB 3.72Å; C6-C130 WeakPolarHBondContact CB-SG 3.4Å; C6-C130 WeakPolarHBondContact SG-CB 3.36Å; C6-C130 CovalentContact SG-SG 2.05Å; C6-C130 PolarHBondContact SG-SG 2.89Å; C10-C130 WeakPolarHBondContact SG-CB 3.33Å; P128-C130 PolarHBondContact O-N 3.19Å; C130-I132 PolarHBondContact O-N 3.31Å
131S53.5Low40.7Very low74 Ų74127.1 Ų127.152%0.51759%0.593SS.*  trans-849.4-179.6-60.30000112R129 K133R129-S131 PolarHBondContact O-N 3.42Å; R129-S131 PolarHBondContact O-OG 3.36Å; S131-K133 PolarHBondContact O-N 3.35Å
132I52.9Low41.3Very low19 Ų19129 Ų12910%0.09759%0.588CS.*  trans-74.9107.9176.5-60.2170.3000107C6 M7 C10 F73 C130C6-I132 HydrophobicContact CB-CD1 3.96Å; M7-I132 HydrophobicContact CB-CD1 4Å; M7-I132 HydrophobicContact CE-CD1 3.8Å; M7-I132 HydrophobicContact CE-CG1 4.49Å; M7-I132 HydrophobicContact CE-CG2 4.18Å; M7-I132 HydrophobicContact SD-CD1 4.09Å; M7-I132 HydrophobicContact SD-CG2 3.98Å; C10-I132 HydrophobicContact CB-CB 4.39Å; C10-I132 HydrophobicContact CB-CG2 4.29Å; F73-I132 HydrophobicContact CD2-CG2 4.22Å; F73-I132 HydrophobicContact CE2-CG2 3.67Å; F73-I132 HydrophobicContact CZ-CG2 4.22Å; C130-I132 PolarHBondContact O-N 3.31Å
133K48.2Very low41.7Very low151 Ų151131.8 Ų131.866%0.65760%0.597SS**  trans-91.1125.4174.1-63-177.5-179.2-178.50108.6S131 L135S131-K133 PolarHBondContact O-N 3.35Å; K133-L135 PolarHBondContact O-N 3.3Å; K133-L135 VanDerWaalsContact O-N 3.15Å
134I47.2Very low42.7Very low86 Ų86128.5 Ų128.544%0.44158%0.584SS.*  trans-65108.4150.3-59.9169.8000104F73 S136F73-I134 HydrophobicContact CD2-CB 4.25Å; F73-I134 HydrophobicContact CD2-CG1 3.6Å; F73-I134 HydrophobicContact CE2-CD1 4.44Å; F73-I134 HydrophobicContact CE2-CG1 3.48Å; F73-I134 VanDerWaalsContact CE2-CG1 3.48Å; I134-S136 PolarHBondContact O-N 3.25Å
135L41.1Very low43.2Very low84 Ų84131.8 Ų131.844%0.4460%0.6SS.*  trans-6798.5164-70.1171.3000104.8Q74 K133 R137Q74-L135 HydrophobicContact CB-CD1 4.42Å; Q74-L135 HydrophobicContact CG-CB 4.42Å; Q74-L135 PolarHBondContact NE2-O 3.02Å; K133-L135 PolarHBondContact O-N 3.3Å; K133-L135 VanDerWaalsContact O-N 3.15Å; L135-R137 PolarHBondContact O-N 2.95Å
136S34.6Very low44.3Very low104 Ų104124.3 Ų124.373%0.72758%0.58SS**  trans-57.1123.7162.252.70000106.6I134I134-S136 PolarHBondContact O-N 3.25Å
137R34.7Very low45.2Very low293 Ų293118.1 Ų118.1100%1.10656%0.556SS**  trans-67.80156.1-88.1-176.8174.2-142-0.2108.7L135L135-R137 PolarHBondContact O-N 2.95Å

Retrieved 137 of 137 residues in 273.6 ms (Link to these results)

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