A0A5K4EVZ7_SCHMA Loading...

Putative vav2 AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4EVZ7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,082 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
1M39.6Very low74.2Confident185 Ų18566.2 Ų66.291%0.91131%0.314SS*.  0-77.10-87.6-169.3-76.500109E3 E4M1-E3 PolarHBondContact O-N 2.92Å; M1-E4 PolarHBondContact O-N 3Å
2E47.2Very low75.8Confident146 Ų14669.4 Ų69.468%0.68233%0.328SS*.Hα-helixtrans-50.4-33.7178.1-60.4-178.2167.100113.8E4 D5E2-E4 PolarHBondContact O-N 3.5Å; E2-D5 WeakPolarHBondContact CA-OD2 3.41Å; E2-D5 PolarHBondContact O-N 2.86Å; E2-D5 VanDerWaalsContact O-N 3.12Å
3E50.1Low77.3Confident98 Ų9864.2 Ų64.246%0.45830%0.303SS..Hα-helixtrans-56.6-26.1174-65.2154-112.900115.3M1 H146M1-E3 PolarHBondContact O-N 2.92Å; E3-H146 IonicContact OE2-CE1 3.78Å; E3-H146 PolarHBondContact OE2-CE1 2.99Å; E3-H146 VanDerWaalsContact OE2-CE1 3.27Å; E3-H146 IonicContact OE2-NE2 2.68Å
4E56.4Low78.5Confident116 Ų11659.6 Ų59.654%0.54228%0.282SS..Hα-helixtrans-88-15.5179.4-61.9-173.2147.100112.4M1 E2 W7M1-E4 PolarHBondContact O-N 3Å; E2-E4 PolarHBondContact O-N 3.5Å; E4-W7 PolarHBondContact O-NE1 3.12Å
5D74Confident79.5Confident75 Ų7558.1 Ų58.140%0.40128%0.276SS..Hα-helixtrans-82.4-26.8-169.5-66.4-42000113.2E2 W7 R8 Q9E2-D5 WeakPolarHBondContact CA-OD2 3.41Å; E2-D5 PolarHBondContact O-N 2.86Å; E2-D5 VanDerWaalsContact O-N 3.12Å; D5-W7 PolarHBondContact O-N 2.7Å; D5-R8 PolarHBondContact O-N 2.63Å; D5-Q9 VanDerWaalsContact C-NE2 3.28Å; D5-Q9 WeakPolarHBondContact O-CB 3.45Å; D5-Q9 VanDerWaalsContact O-CG 3.23Å; D5-Q9 WeakPolarHBondContact O-CG 3.37Å; D5-Q9 PolarHBondContact O-N 2.96Å; D5-Q9 PolarHBondContact O-NE2 3.32Å
6D88.3Confident80.4Confident11 Ų1160.3 Ų60.36%0.05928%0.281CS..Hα-helixtrans-63.5-41.8-175.9-94.34.3000113.3Q9 C10 L142 Q143 Y149D6-Q9 PolarHBondContact OD1-NE2 3.41Å; D6-C10 WeakPolarHBondContact O-CB 3.44Å; D6-C10 PolarHBondContact O-N 3.28Å; D6-L142 HydrophobicContact CB-CD1 4.12Å; D6-L142 WeakPolarHBondContact OD1-CD1 3.33Å; D6-L142 WeakPolarHBondContact OD2-CA 3.43Å; D6-L142 WeakPolarHBondContact OD2-CD1 3.22Å; D6-L142 WeakPolarHBondContact OD2-CG 3.05Å; D6-Q143 PolarHBondContact OD2-N 3.23Å; D6-Y149 WeakPolarHBondContact CB-OH 3.27Å
7W90.1Very high81Confident5 Ų556.8 Ų56.82%0.01927%0.265CS..Hα-helixtrans-78.2-29.5177.277-94000111.5E4 D5 C10 A11 A26 G31 N32 A33 L36 I115 Y149E4-W7 PolarHBondContact O-NE1 3.12Å; D5-W7 PolarHBondContact O-N 2.7Å; W7-C10 WeakPolarHBondContact O-CB 3.23Å; W7-C10 PolarHBondContact O-N 3.14Å; W7-A11 PolarHBondContact O-N 3.5Å; W7-A26 WeakPolarHBondContact CH2-O 3.36Å; W7-A26 HydrophobicContact CZ3-CB 4.1Å; W7-A26 WeakPolarHBondContact CZ3-O 3.31Å; W7-G31 WeakPolarHBondContact CH2-O 3.4Å; W7-G31 WeakPolarHBondContact CZ2-O 3.41Å; W7-N32 VanDerWaalsContact CH2-CA 3.44Å; W7-N32 VanDerWaalsContact CH2-N 3.32Å; W7-A33 HydrophobicContact CB-CB 4.2Å; W7-A33 HydrophobicContact CD2-CB 3.97Å; W7-A33 HydrophobicContact CG-CB 3.77Å; W7-L36 HydrophobicContact CB-CD2 4.41Å; W7-L36 HydrophobicContact CE3-CB 4.3Å; W7-L36 HydrophobicContact CE3-CD2 4.36Å; W7-L36 WeakPolarHBondContact O-CD2 3.48Å; W7-I115 HydrophobicContact CB-CD1 3.75Å; W7-Y149 HydrophobicContact CB-CE1 4.35Å
8R90.9Very high81.4Confident58 Ų5861.2 Ų61.222%0.21929%0.286CS..Hα-helixtrans-66-49171.8-72.3-173.8179.2-85.94.1111.5D5 C10 A11 E12 G28 P29 G31D5-R8 PolarHBondContact O-N 2.63Å; R8-C10 PolarHBondContact O-N 3.18Å; R8-A11 CarbonylContact O-C 3.54Å; R8-A11 WeakPolarHBondContact O-CA 3.32Å; R8-A11 WeakPolarHBondContact O-CB 3.35Å; R8-A11 PolarHBondContact O-N 2.97Å; R8-E12 WeakPolarHBondContact O-CG 3.23Å; R8-E12 PolarHBondContact O-N 3.25Å; R8-G28 PolarHBondContact NH1-O 3.3Å; R8-P29 PolarHBondContact NH2-O 3.23Å; R8-G31 PolarHBondContact NH2-O 2.67Å
9Q92Very high81.7Confident34 Ų3458.4 Ų58.416%0.15927%0.273CS..Hα-helixtrans-55.6-38.2173.4-74.1168.489.500112.2D5 D6 W13 F135D5-Q9 VanDerWaalsContact C-NE2 3.28Å; D5-Q9 WeakPolarHBondContact O-CB 3.45Å; D5-Q9 VanDerWaalsContact O-CG 3.23Å; D5-Q9 WeakPolarHBondContact O-CG 3.37Å; D5-Q9 PolarHBondContact O-N 2.96Å; D5-Q9 PolarHBondContact O-NE2 3.32Å; D6-Q9 PolarHBondContact OD1-NE2 3.41Å; Q9-W13 WeakPolarHBondContact O-CB 3.39Å; Q9-W13 PolarHBondContact O-N 3.24Å; Q9-F135 HydrophobicContact CB-CB 4.44Å; Q9-F135 HydrophobicContact CB-CD2 4.02Å
10C94.3Very high82Confident0 Ų055.6 Ų55.60%026%0.26CS..Hα-helixtrans-64.8-45.8173.8-170.60000112D6 W7 R8 W13 L14 L36 I115 F135D6-C10 WeakPolarHBondContact O-CB 3.44Å; D6-C10 PolarHBondContact O-N 3.28Å; W7-C10 WeakPolarHBondContact O-CB 3.23Å; W7-C10 PolarHBondContact O-N 3.14Å; R8-C10 PolarHBondContact O-N 3.18Å; C10-W13 PolarHBondContact O-N 3.34Å; C10-L14 WeakPolarHBondContact O-CD1 3.47Å; C10-L14 VanDerWaalsContact O-CG 3.29Å; C10-L14 WeakPolarHBondContact O-CG 3.47Å; C10-L14 PolarHBondContact O-N 3.3Å; C10-L36 HydrophobicContact CB-CD2 4.15Å; C10-I115 HydrophobicContact CB-CG2 4.17Å; C10-F135 HydrophobicContact CB-CD2 4.42Å; C10-F135 HydrophobicContact CB-CE2 3.63Å; C10-F135 HydrophobicContact CB-CZ 3.68Å; C10-F135 VanDerWaalsContact SG-CZ 3.57Å
11A93.6Very high82.2Confident0 Ų055.4 Ų55.40%026%0.264CS..Hα-helixtrans-63.2-45.9175.800000112W7 R8 W13 L14 N15 I20 A26 L27 L36W7-A11 PolarHBondContact O-N 3.5Å; R8-A11 CarbonylContact O-C 3.54Å; R8-A11 WeakPolarHBondContact O-CA 3.32Å; R8-A11 WeakPolarHBondContact O-CB 3.35Å; R8-A11 PolarHBondContact O-N 2.97Å; A11-W13 VanDerWaalsContact C-N 3.3Å; A11-W13 PolarHBondContact O-N 2.85Å; A11-L14 PolarHBondContact O-N 3.42Å; A11-N15 PolarHBondContact O-N 3.21Å; A11-I20 HydrophobicContact CB-CD1 4.08Å; A11-A26 HydrophobicContact CB-CB 4.26Å; A11-L27 HydrophobicContact CB-CD2 3.86Å; A11-L36 HydrophobicContact CB-CD1 4.11Å; A11-L36 HydrophobicContact CB-CD2 4.32Å
12E93.4Very high84.3Confident105 Ų10553.2 Ų53.249%0.49126%0.255SS..Hα-helixtrans-60.8-37.2174.9-71.9175.4-171.900112.4R8 R16 L27R8-E12 WeakPolarHBondContact O-CG 3.23Å; R8-E12 PolarHBondContact O-N 3.25Å; E12-R16 WeakPolarHBondContact O-CB 3.22Å; E12-R16 VanDerWaalsContact O-CG 3.27Å; E12-R16 WeakPolarHBondContact O-CG 3.27Å; E12-R16 PolarHBondContact O-N 3Å; E12-R16 PolarHBondContact O-NE 3.26Å; E12-L27 HydrophobicContact CG-CD2 4.37Å
13W94.9Very high86.1Confident1 Ų152.8 Ų52.80%0.00426%0.258CS..Hα-helixtrans-68-43.3173.4179.969.1000112Q9 C10 A11 N15 R16 C17 L49 L53 L118 L121 S122 F135Q9-W13 WeakPolarHBondContact O-CB 3.39Å; Q9-W13 PolarHBondContact O-N 3.24Å; C10-W13 PolarHBondContact O-N 3.34Å; A11-W13 VanDerWaalsContact C-N 3.3Å; A11-W13 PolarHBondContact O-N 2.85Å; W13-N15 VanDerWaalsContact C-N 3.29Å; W13-N15 PolarHBondContact O-N 3.27Å; W13-R16 CarbonylContact O-C 3.6Å; W13-R16 PolarHBondContact O-N 3.24Å; W13-C17 VanDerWaalsContact CE2-SG 3.53Å; W13-C17 WeakPolarHBondContact O-CB 3.33Å; W13-C17 PolarHBondContact O-N 3.42Å; W13-C17 PolarHBondContact O-SG 2.93Å; W13-C17 VanDerWaalsContact O-SG 3.32Å; W13-L49 HydrophobicContact CH2-CD1 3.92Å; W13-L49 HydrophobicContact CH2-CD2 3.8Å; W13-L49 HydrophobicContact CH2-CG 4.31Å; W13-L49 HydrophobicContact CZ2-CD1 4.39Å; W13-L49 HydrophobicContact CZ3-CD1 4.19Å; W13-L49 HydrophobicContact CZ3-CD2 3.75Å; W13-L53 HydrophobicContact CH2-CD1 3.73Å; W13-L53 HydrophobicContact CZ2-CD1 3.79Å; W13-L53 HydrophobicContact CZ2-CD2 4.13Å; W13-L118 HydrophobicContact CZ3-CB 4.16Å; W13-L118 HydrophobicContact CZ3-CD2 4.24Å; W13-L121 HydrophobicContact CH2-CD2 4.27Å; W13-L121 HydrophobicContact CH2-CG 4.27Å; W13-S122 VanDerWaalsContact CZ2-CA 3.47Å; W13-F135 HydrophobicContact CB-CB 4.33Å; W13-F135 HydrophobicContact CB-CD1 3.61Å; W13-F135 HydrophobicContact CB-CE1 4.22Å; W13-F135 HydrophobicContact CB-CG 4.13Å; W13-F135 AromaticContact CD2-CD1 3.67Å; W13-F135 HydrophobicContact CD2-CD1 3.67Å; W13-F135 AromaticContact CD2-CE1 3.83Å; W13-F135 HydrophobicContact CD2-CE1 3.83Å; W13-F135 AromaticContact CE3-CD1 3.85Å; W13-F135 HydrophobicContact CE3-CD1 3.85Å; W13-F135 AromaticContact CE3-CE1 3.48Å; W13-F135 HydrophobicContact CE3-CE1 3.48Å; W13-F135 VanDerWaalsContact CE3-CE1 3.48Å; W13-F135 AromaticContact CG-CD1 3.55Å; W13-F135 HydrophobicContact CG-CD1 3.55Å; W13-F135 HydrophobicContact CG-CE1 4.14Å; W13-F135 HydrophobicContact CG-CG 4.44Å; W13-F135 HydrophobicContact CZ3-CE1 4.08Å
14L94.8Very high87.9Confident0 Ų048.5 Ų48.50%024%0.238CC..Hα-helixtrans-63.3-33.7175.3-71.1161.9000112.5C10 A11 C17 Q18 V19 I20 L36 L40 L49C10-L14 WeakPolarHBondContact O-CD1 3.47Å; C10-L14 VanDerWaalsContact O-CG 3.29Å; C10-L14 WeakPolarHBondContact O-CG 3.47Å; C10-L14 PolarHBondContact O-N 3.3Å; A11-L14 PolarHBondContact O-N 3.42Å; L14-C17 CarbonylContact O-C 3.6Å; L14-C17 PolarHBondContact O-N 3.2Å; L14-Q18 PolarHBondContact O-N 3.07Å; L14-V19 HydrophobicContact CB-CB 4.5Å; L14-V19 HydrophobicContact CD2-CB 4.32Å; L14-V19 HydrophobicContact CD2-CG1 4.28Å; L14-V19 WeakPolarHBondContact O-CB 3.38Å; L14-V19 PolarHBondContact O-N 2.74Å; L14-I20 HydrophobicContact CB-CD1 4.41Å; L14-I20 HydrophobicContact CB-CG1 4.04Å; L14-I20 PolarHBondContact O-N 3.3Å; L14-L36 HydrophobicContact CD1-CD1 3.83Å; L14-L40 HydrophobicContact CD1-CD1 4.02Å; L14-L40 HydrophobicContact CD1-CD2 4.11Å; L14-L49 HydrophobicContact CD2-CD1 4.24Å; L14-L49 HydrophobicContact CD2-CD2 3.87Å
15N93.6Very high89.3Confident37 Ų3745.4 Ų45.420%0.19823%0.228CC..Hα-helixtrans-68.4-43.9170.9173.8-109.9000112.1A11 W13 C17 Q18 I20 D22 L27A11-N15 PolarHBondContact O-N 3.21Å; W13-N15 VanDerWaalsContact C-N 3.29Å; W13-N15 PolarHBondContact O-N 3.27Å; N15-C17 PolarHBondContact O-N 2.81Å; N15-Q18 WeakPolarHBondContact O-CA 3.43Å; N15-Q18 PolarHBondContact O-N 3.29Å; N15-I20 WeakPolarHBondContact CA-O 3.35Å; N15-I20 HydrophobicContact CB-CG1 4.07Å; N15-I20 PolarHBondContact ND2-O 3.45Å; N15-D22 PolarHBondContact ND2-N 2.84Å; N15-D22 PolarHBondContact ND2-OD1 3.38Å; N15-L27 HydrophobicContact CB-CD1 3.91Å; N15-L27 HydrophobicContact CB-CD2 4.29Å
16R92.7Very high90Very high94 Ų9441.9 Ų41.936%0.35521%0.209SC..Hα-helixtrans-61.3-29.6172.7-72178.2-67.5130.9-8.8112.7E12 W13 Q18 I132 P133E12-R16 WeakPolarHBondContact O-CB 3.22Å; E12-R16 VanDerWaalsContact O-CG 3.27Å; E12-R16 WeakPolarHBondContact O-CG 3.27Å; E12-R16 PolarHBondContact O-N 3Å; E12-R16 PolarHBondContact O-NE 3.26Å; W13-R16 CarbonylContact O-C 3.6Å; W13-R16 PolarHBondContact O-N 3.24Å; R16-Q18 VanDerWaalsContact C-N 3.27Å; R16-I132 HydrophobicContact CB-CG2 4.22Å; R16-P133 PolarHBondContact NH1-O 2.9Å
17C91.4Very high90.1Very high1 Ų143.7 Ų43.71%0.00722%0.218CC..THydrogen-bonded Turntrans-814169.9-66.60000114.5W13 L14 N15 V19 L49W13-C17 VanDerWaalsContact CE2-SG 3.53Å; W13-C17 WeakPolarHBondContact O-CB 3.33Å; W13-C17 PolarHBondContact O-N 3.42Å; W13-C17 PolarHBondContact O-SG 2.93Å; W13-C17 VanDerWaalsContact O-SG 3.32Å; L14-C17 CarbonylContact O-C 3.6Å; L14-C17 PolarHBondContact O-N 3.2Å; N15-C17 PolarHBondContact O-N 2.81Å; C17-V19 HydrophobicContact CB-CG2 4.03Å; C17-V19 PolarHBondContact O-N 2.82Å; C17-L49 HydrophobicContact CB-CD1 3.57Å
18Q88.5Confident89.9Confident136 Ų13644.5 Ų44.564%0.63623%0.229SC*.THydrogen-bonded Turntrans58.825.7-179.9-59.3176.3-12.200114.2L14 N15 R16 M173L14-Q18 PolarHBondContact O-N 3.07Å; N15-Q18 WeakPolarHBondContact O-CA 3.43Å; N15-Q18 PolarHBondContact O-N 3.29Å; R16-Q18 VanDerWaalsContact C-N 3.27Å; Q18-M173 PolarHBondContact OE1-SD 2.87Å; Q18-M173 VanDerWaalsContact OE1-SD 3.34Å
19V87.2Confident89.6Confident7 Ų747.1 Ų47.14%0.04225%0.253CS..SBendtrans-89.2-34.9179.4178.60000111.9L14 C17 A45 L49 Y170L14-V19 HydrophobicContact CB-CB 4.5Å; L14-V19 HydrophobicContact CD2-CB 4.32Å; L14-V19 HydrophobicContact CD2-CG1 4.28Å; L14-V19 WeakPolarHBondContact O-CB 3.38Å; L14-V19 PolarHBondContact O-N 2.74Å; C17-V19 HydrophobicContact CB-CG2 4.03Å; C17-V19 PolarHBondContact O-N 2.82Å; V19-A45 HydrophobicContact CG1-CB 3.79Å; V19-A45 VanDerWaalsContact CG1-O 3.31Å; V19-A45 WeakPolarHBondContact CG1-O 3.48Å; V19-L49 HydrophobicContact CG2-CB 3.84Å; V19-L49 HydrophobicContact CG2-CD1 3.79Å; V19-L49 HydrophobicContact CG2-CG 4.41Å; V19-Y170 WeakPolarHBondContact O-CE1 3.47Å
20I87.7Confident89.3Confident3 Ų352.6 Ų52.62%0.01528%0.284CS..SBendtrans-119.8139.9170.362.8166.2000110.6A11 L14 N15 H24 L27 A39A11-I20 HydrophobicContact CB-CD1 4.08Å; L14-I20 HydrophobicContact CB-CD1 4.41Å; L14-I20 HydrophobicContact CB-CG1 4.04Å; L14-I20 PolarHBondContact O-N 3.3Å; N15-I20 WeakPolarHBondContact CA-O 3.35Å; N15-I20 HydrophobicContact CB-CG1 4.07Å; N15-I20 PolarHBondContact ND2-O 3.45Å; I20-H24 HydrophobicContact CB-CB 4.27Å; I20-H24 HydrophobicContact CD1-CB 4.32Å; I20-L27 HydrophobicContact CD1-CD1 4.46Å; I20-L27 HydrophobicContact CD1-CD2 4.24Å; I20-L27 HydrophobicContact CD1-CG 4.24Å; I20-A39 HydrophobicContact CG2-CB 4.32Å
21P85.9Confident88.8Confident52 Ų5253 Ų5334%0.33829%0.287SS..  trans-73.5160.6-174.431.7-37.2000112.5D23 H24 L27P21-D23 WeakPolarHBondContact CB-OD1 3.32Å; P21-D23 PolarHBondContact O-N 3.4Å; P21-D23 VanDerWaalsContact O-N 3.13Å; P21-H24 HydrophobicContact CG-CB 4.12Å; P21-H24 WeakPolarHBondContact O-CB 3.45Å; P21-H24 PolarHBondContact O-N 3.27Å; P21-L27 WeakPolarHBondContact O-CD1 3.46Å
22D84.2Confident88.5Confident138 Ų13854.3 Ų54.374%0.73830%0.295SS*.THydrogen-bonded Turntrans-60.3-23.1-176.3-57-11.5000113.8N15N15-D22 PolarHBondContact ND2-N 2.84Å; N15-D22 PolarHBondContact ND2-OD1 3.38Å
23D84.7Confident88.3Confident138 Ų13849.3 Ų49.374%0.73827%0.271SS*.THydrogen-bonded Turntrans-98.19.5178.565-18.8000113.6P21P21-D23 WeakPolarHBondContact CB-OD1 3.32Å; P21-D23 PolarHBondContact O-N 3.4Å; P21-D23 VanDerWaalsContact O-N 3.13Å
24H86.7Confident88Confident7 Ų749.7 Ų49.73%0.03227%0.273CS..  trans-64.3132.9-178.2-170.7-104000112.2I20 P21 A26 L27I20-H24 HydrophobicContact CB-CB 4.27Å; I20-H24 HydrophobicContact CD1-CB 4.32Å; P21-H24 HydrophobicContact CG-CB 4.12Å; P21-H24 WeakPolarHBondContact O-CB 3.45Å; P21-H24 PolarHBondContact O-N 3.27Å; H24-A26 WeakPolarHBondContact ND1-CB 3.34Å; H24-A26 PolarHBondContact ND1-N 2.63Å; H24-A26 PolarHBondContact O-N 3.14Å; H24-L27 HydrophobicContact CB-CD1 4.35Å; H24-L27 WeakPolarHBondContact O-CB 3.15Å; H24-L27 PolarHBondContact O-N 3.42Å
25P87.4Confident87.7Confident52 Ų5250.6 Ų50.634%0.33828%0.277SS..G310 helixtrans-54.4-28.9-174.5-3136.8000116L27 G28 G31 H35P25-L27 PolarHBondContact O-N 3.12Å; P25-G28 PolarHBondContact O-N 2.69Å; P25-G28 VanDerWaalsContact O-N 3.13Å; P25-G31 VanDerWaalsContact O-CA 3.25Å; P25-G31 WeakPolarHBondContact O-CA 3.3Å; P25-H35 HydrophobicContact CB-CB 4.36Å
26A88.3Confident87.6Confident0 Ų048.9 Ų48.90%027%0.268CS..G310 helixtrans-63.1-26175.500000113.6W7 A11 H24 H35 L36W7-A26 WeakPolarHBondContact CH2-O 3.36Å; W7-A26 HydrophobicContact CZ3-CB 4.1Å; W7-A26 WeakPolarHBondContact CZ3-O 3.31Å; A11-A26 HydrophobicContact CB-CB 4.26Å; H24-A26 WeakPolarHBondContact ND1-CB 3.34Å; H24-A26 PolarHBondContact ND1-N 2.63Å; H24-A26 PolarHBondContact O-N 3.14Å; A26-H35 HydrophobicContact CB-CB 4.05Å; A26-L36 HydrophobicContact CB-CB 4.23Å
27L89Confident87.5Confident49 Ų4944.7 Ų44.726%0.25725%0.253SS..G310 helixtrans-85.5-11.9177.1-56.2173.3000112.5A11 E12 N15 I20 P21 H24 P25A11-L27 HydrophobicContact CB-CD2 3.86Å; E12-L27 HydrophobicContact CG-CD2 4.37Å; N15-L27 HydrophobicContact CB-CD1 3.91Å; N15-L27 HydrophobicContact CB-CD2 4.29Å; I20-L27 HydrophobicContact CD1-CD1 4.46Å; I20-L27 HydrophobicContact CD1-CD2 4.24Å; I20-L27 HydrophobicContact CD1-CG 4.24Å; P21-L27 WeakPolarHBondContact O-CD1 3.46Å; H24-L27 HydrophobicContact CB-CD1 4.35Å; H24-L27 WeakPolarHBondContact O-CB 3.15Å; H24-L27 PolarHBondContact O-N 3.42Å; P25-L27 PolarHBondContact O-N 3.12Å
28G87.4Confident87.3Confident23 Ų2347.3 Ų47.324%0.23727%0.265CS..SBendtrans-70.9164.8-178.700000113.6R8 P25 D30 G31R8-G28 PolarHBondContact NH1-O 3.3Å; P25-G28 PolarHBondContact O-N 2.69Å; P25-G28 VanDerWaalsContact O-N 3.13Å; G28-D30 PolarHBondContact O-N 2.71Å; G28-G31 PolarHBondContact O-N 2.99Å
29P84.5Confident87.3Confident112 Ų11241.1 Ų41.173%0.72724%0.237SC*.THydrogen-bonded Turntrans-58.7-48.2173.824.2-32.2000110.8R8 G31R8-P29 PolarHBondContact NH2-O 3.23Å; P29-G31 PolarHBondContact O-N 2.88Å; P29-G31 VanDerWaalsContact O-N 3.15Å
30D85Confident87.6Confident150 Ų15040.8 Ų40.880%0.80224%0.235SC*.THydrogen-bonded Turntrans-77.18.4176.3-46.9-67000113.8G28G28-D30 PolarHBondContact O-N 2.71Å
31G84.1Confident87.8Confident8 Ų844 Ų448%0.08225%0.251CS..  trans-62.5148.417700000112.3W7 R8 P25 G28 P29W7-G31 WeakPolarHBondContact CH2-O 3.4Å; W7-G31 WeakPolarHBondContact CZ2-O 3.41Å; R8-G31 PolarHBondContact NH2-O 2.67Å; P25-G31 VanDerWaalsContact O-CA 3.25Å; P25-G31 WeakPolarHBondContact O-CA 3.3Å; G28-G31 PolarHBondContact O-N 2.99Å; P29-G31 PolarHBondContact O-N 2.88Å; P29-G31 VanDerWaalsContact O-N 3.15Å
32N87.1Confident87.9Confident28 Ų2842.7 Ų42.715%0.1524%0.241CC..  trans-144.8167.6175.969.337.4000110.7W7 I34 H35W7-N32 VanDerWaalsContact CH2-CA 3.44Å; W7-N32 VanDerWaalsContact CH2-N 3.32Å; N32-I34 PolarHBondContact O-N 3.46Å; N32-I34 VanDerWaalsContact O-N 3.12Å; N32-I34 WeakPolarHBondContact OD1-CB 3.46Å; N32-I34 PolarHBondContact OD1-N 3.46Å; N32-H35 VanDerWaalsContact CG-ND1 3.32Å; N32-H35 PolarHBondContact N-ND1 3.33Å; N32-H35 PolarHBondContact O-N 3.26Å; N32-H35 VanDerWaalsContact O-N 3.16Å; N32-H35 PolarHBondContact OD1-N 2.91Å; N32-H35 PolarHBondContact OD1-ND1 3.31Å
33A88.8Confident88.3Confident0 Ų036.1 Ų36.10%021%0.206CC..Hα-helixtrans-60.7-23.6-177.400000114.4W7 L36 V37 Y148 L152W7-A33 HydrophobicContact CB-CB 4.2Å; W7-A33 HydrophobicContact CD2-CB 3.97Å; W7-A33 HydrophobicContact CG-CB 3.77Å; A33-L36 PolarHBondContact O-N 3.05Å; A33-V37 WeakPolarHBondContact O-CG2 3.22Å; A33-V37 PolarHBondContact O-N 3.33Å; A33-Y148 HydrophobicContact CB-CE1 3.75Å; A33-L152 HydrophobicContact CB-CD1 4.27Å; A33-L152 HydrophobicContact CB-CD2 4.16Å
34I88.2Confident88.6Confident8 Ų829.8 Ų29.84%0.04117%0.172CC..Hα-helixtrans-69.2-38.7179-57.7163.4000110.5N32 L36 V37 Q38 L152 I155 A156 M159 L162N32-I34 PolarHBondContact O-N 3.46Å; N32-I34 VanDerWaalsContact O-N 3.12Å; N32-I34 WeakPolarHBondContact OD1-CB 3.46Å; N32-I34 PolarHBondContact OD1-N 3.46Å; I34-L36 PolarHBondContact O-N 3.01Å; I34-V37 PolarHBondContact O-N 2.96Å; I34-Q38 HydrophobicContact CG2-CG 4.39Å; I34-Q38 WeakPolarHBondContact O-CB 3.26Å; I34-Q38 VanDerWaalsContact O-CG 3.3Å; I34-Q38 WeakPolarHBondContact O-CG 3.49Å; I34-Q38 PolarHBondContact O-N 2.74Å; I34-L152 HydrophobicContact CG1-CD2 4.02Å; I34-I155 HydrophobicContact CD1-CB 4.21Å; I34-I155 HydrophobicContact CD1-CG2 3.76Å; I34-A156 HydrophobicContact CD1-CB 3.94Å; I34-A156 HydrophobicContact CG1-CB 4.39Å; I34-A156 HydrophobicContact CG2-CB 4.01Å; I34-M159 HydrophobicContact CD1-SD 3.82Å; I34-L162 HydrophobicContact CB-CD1 4.3Å; I34-L162 HydrophobicContact CG2-CD1 3.57Å
35H88.9Confident88.8Confident20 Ų2029.5 Ų29.59%0.09317%0.171CC..Hα-helixtrans-60.3-35.5172.5-61.3100.5000111.9P25 A26 N32 A39P25-H35 HydrophobicContact CB-CB 4.36Å; A26-H35 HydrophobicContact CB-CB 4.05Å; N32-H35 VanDerWaalsContact CG-ND1 3.32Å; N32-H35 PolarHBondContact N-ND1 3.33Å; N32-H35 PolarHBondContact O-N 3.26Å; N32-H35 VanDerWaalsContact O-N 3.16Å; N32-H35 PolarHBondContact OD1-N 2.91Å; N32-H35 PolarHBondContact OD1-ND1 3.31Å; H35-A39 PolarHBondContact O-N 3.01Å
36L91.4Very high89.1Confident0 Ų027 Ų270%016%0.155CC..Hα-helixtrans-72.7-42174.7-175.561.7000111.8W7 C10 A11 L14 A26 A33 I34 Q38 A39 L40 F111W7-L36 HydrophobicContact CB-CD2 4.41Å; W7-L36 HydrophobicContact CE3-CB 4.3Å; W7-L36 HydrophobicContact CE3-CD2 4.36Å; W7-L36 WeakPolarHBondContact O-CD2 3.48Å; C10-L36 HydrophobicContact CB-CD2 4.15Å; A11-L36 HydrophobicContact CB-CD1 4.11Å; A11-L36 HydrophobicContact CB-CD2 4.32Å; L14-L36 HydrophobicContact CD1-CD1 3.83Å; A26-L36 HydrophobicContact CB-CB 4.23Å; A33-L36 PolarHBondContact O-N 3.05Å; I34-L36 PolarHBondContact O-N 3.01Å; L36-Q38 VanDerWaalsContact C-N 3.33Å; L36-Q38 PolarHBondContact O-N 3.33Å; L36-A39 PolarHBondContact O-N 3.25Å; L36-L40 HydrophobicContact CD1-CD1 4.04Å; L36-L40 HydrophobicContact CD1-CG 4.28Å; L36-L40 HydrophobicContact CG-CD1 4.07Å; L36-L40 WeakPolarHBondContact O-CG 3.43Å; L36-L40 PolarHBondContact O-N 2.88Å; L36-F111 HydrophobicContact CD2-CE1 4.24Å; L36-F111 HydrophobicContact CD2-CZ 4.17Å; L36-F111 HydrophobicContact CG-CZ 4.17Å
37V91.4Very high89.4Confident7 Ų727 Ų274%0.04216%0.155CC..Hα-helixtrans-56.7-48.4173.5171.50000110.4A33 I34 A39 L40 M41 A108 F111 L152A33-V37 WeakPolarHBondContact O-CG2 3.22Å; A33-V37 PolarHBondContact O-N 3.33Å; I34-V37 PolarHBondContact O-N 2.96Å; V37-A39 VanDerWaalsContact C-N 3.3Å; V37-A39 PolarHBondContact O-N 3.44Å; V37-L40 CarbonylContact O-C 3.49Å; V37-L40 PolarHBondContact O-N 3.02Å; V37-M41 VanDerWaalsContact O-CB 3.3Å; V37-M41 WeakPolarHBondContact O-CB 3.48Å; V37-M41 PolarHBondContact O-N 3.22Å; V37-A108 HydrophobicContact CG1-CB 4.04Å; V37-F111 HydrophobicContact CG2-CB 4.5Å; V37-F111 HydrophobicContact CG2-CD1 3.77Å; V37-F111 HydrophobicContact CG2-CD2 3.67Å; V37-F111 HydrophobicContact CG2-CE1 3.81Å; V37-F111 HydrophobicContact CG2-CE2 3.71Å; V37-F111 HydrophobicContact CG2-CG 3.7Å; V37-F111 HydrophobicContact CG2-CZ 3.78Å; V37-L152 HydrophobicContact CG2-CD1 4.21Å
38Q87.7Confident89.3Confident55 Ų5525.8 Ų25.826%0.25715%0.148SC..Hα-helixtrans-55.5-43179.4-75170.7-26.500112.5I34 L36 L40I34-Q38 HydrophobicContact CG2-CG 4.39Å; I34-Q38 WeakPolarHBondContact O-CB 3.26Å; I34-Q38 VanDerWaalsContact O-CG 3.3Å; I34-Q38 WeakPolarHBondContact O-CG 3.49Å; I34-Q38 PolarHBondContact O-N 2.74Å; L36-Q38 VanDerWaalsContact C-N 3.33Å; L36-Q38 PolarHBondContact O-N 3.33Å; Q38-L40 VanDerWaalsContact C-N 3.28Å; Q38-L40 PolarHBondContact O-N 2.86Å
39A88.7Confident89.6Confident6 Ų624.7 Ų24.75%0.0514%0.137CC..Hα-helixtrans-69.8-19.917800000114.6I20 H35 L36 V37 A45I20-A39 HydrophobicContact CG2-CB 4.32Å; H35-A39 PolarHBondContact O-N 3.01Å; L36-A39 PolarHBondContact O-N 3.25Å; V37-A39 VanDerWaalsContact C-N 3.3Å; V37-A39 PolarHBondContact O-N 3.44Å; A39-A45 WeakPolarHBondContact O-CB 3.4Å
40L92.5Very high90Very high0 Ų019.4 Ų19.40%010%0.102CC..Hα-helixtrans-109.1-13.6-177.4-58.4-177.7000113.8L14 L36 V37 Q38 D42 G43 A45 L46 I105 F111 L118L14-L40 HydrophobicContact CD1-CD1 4.02Å; L14-L40 HydrophobicContact CD1-CD2 4.11Å; L36-L40 HydrophobicContact CD1-CD1 4.04Å; L36-L40 HydrophobicContact CD1-CG 4.28Å; L36-L40 HydrophobicContact CG-CD1 4.07Å; L36-L40 WeakPolarHBondContact O-CG 3.43Å; L36-L40 PolarHBondContact O-N 2.88Å; V37-L40 CarbonylContact O-C 3.49Å; V37-L40 PolarHBondContact O-N 3.02Å; Q38-L40 VanDerWaalsContact C-N 3.28Å; Q38-L40 PolarHBondContact O-N 2.86Å; L40-D42 VanDerWaalsContact C-N 3.25Å; L40-D42 PolarHBondContact O-N 3.15Å; L40-G43 PolarHBondContact O-N 3.47Å; L40-G43 VanDerWaalsContact O-N 3.1Å; L40-A45 HydrophobicContact CD2-CB 3.63Å; L40-L46 HydrophobicContact CB-CD1 4.35Å; L40-L46 HydrophobicContact CB-CG 4.35Å; L40-L46 HydrophobicContact CD1-CD2 4.27Å; L40-L46 HydrophobicContact CD2-CD2 3.74Å; L40-L46 HydrophobicContact CD2-CG 4.04Å; L40-L46 HydrophobicContact CG-CD2 4.42Å; L40-I105 HydrophobicContact CB-CG2 4.39Å; L40-F111 HydrophobicContact CD1-CZ 4.33Å; L40-L118 HydrophobicContact CD1-CD1 4.17Å
41M91.3Very high90.2Very high72 Ų7213.1 Ų13.136%0.3557%0.07SC..THydrogen-bonded Turntrans-58.8-31.3-171.3-178.6174.266.200114.1V37 Y106V37-M41 VanDerWaalsContact O-CB 3.3Å; V37-M41 WeakPolarHBondContact O-CB 3.48Å; V37-M41 PolarHBondContact O-N 3.22Å; M41-Y106 HydrophobicContact CG-CD2 3.87Å; M41-Y106 HydrophobicContact CG-CE2 4.24Å
42D88.6Confident90.4Very high24 Ų2414.2 Ų14.213%0.1288%0.075CC..THydrogen-bonded Turntrans-89.3-5-177.579.8-2.2000114L40 V44 P70 Q71 N80L40-D42 VanDerWaalsContact C-N 3.25Å; L40-D42 PolarHBondContact O-N 3.15Å; D42-V44 PolarHBondContact O-N 2.87Å; D42-V44 VanDerWaalsContact O-N 3.12Å; D42-V44 WeakPolarHBondContact OD1-CB 3.48Å; D42-V44 PolarHBondContact OD1-N 3.07Å; D42-P70 HydrophobicContact CB-CG 3.76Å; D42-Q71 PolarHBondContact OD2-NE2 3.08Å; D42-N80 VanDerWaalsContact O-CB 3.29Å; D42-N80 WeakPolarHBondContact O-CB 3.25Å; D42-N80 PolarHBondContact O-ND2 2.83Å
43G92.7Very high90.6Very high0 Ų012.9 Ų12.90%07%0.068CC..SBendtrans68.5-5.7-178.500000116L40 L46 C47L40-G43 PolarHBondContact O-N 3.47Å; L40-G43 VanDerWaalsContact O-N 3.1Å; G43-L46 PolarHBondContact O-N 3.31Å; G43-C47 PolarHBondContact O-N 2.98Å; G43-C47 PolarHBondContact O-SG 3.23Å; G43-C47 VanDerWaalsContact O-SG 3.39Å
44V90.7Very high90.6Very high5 Ų513 Ų133%0.037%0.068CC..Hα-helixtrans-63.8-47.6-178.8177.50000110.1D42 L46 C47 H48 F66 P70 Y170D42-V44 PolarHBondContact O-N 2.87Å; D42-V44 VanDerWaalsContact O-N 3.12Å; D42-V44 WeakPolarHBondContact OD1-CB 3.48Å; D42-V44 PolarHBondContact OD1-N 3.07Å; V44-L46 VanDerWaalsContact C-N 3.29Å; V44-L46 PolarHBondContact O-N 3.19Å; V44-C47 PolarHBondContact O-N 2.97Å; V44-H48 WeakPolarHBondContact O-CB 3.22Å; V44-H48 PolarHBondContact O-N 3.2Å; V44-F66 HydrophobicContact CG1-CZ 4.23Å; V44-P70 HydrophobicContact CG2-CG 3.84Å; V44-Y170 HydrophobicContact CB-CE2 4.21Å; V44-Y170 HydrophobicContact CG1-CD2 3.7Å; V44-Y170 HydrophobicContact CG1-CE2 3.59Å
45A90.6Very high90.3Very high0 Ų017.2 Ų17.20%09%0.091CC..Hα-helixtrans-50.6-49.6173.300000112.2V19 A39 L40 H48 L49 Y170V19-A45 HydrophobicContact CG1-CB 3.79Å; V19-A45 VanDerWaalsContact CG1-O 3.31Å; V19-A45 WeakPolarHBondContact CG1-O 3.48Å; A39-A45 WeakPolarHBondContact O-CB 3.4Å; L40-A45 HydrophobicContact CD2-CB 3.63Å; A45-H48 PolarHBondContact O-N 3.21Å; A45-L49 PolarHBondContact O-N 3.39Å; A45-Y170 WeakPolarHBondContact CA-OH 3.12Å; A45-Y170 WeakPolarHBondContact CB-OH 3.47Å
46L94.3Very high89.7Confident0 Ų021.9 Ų21.90%011%0.113CC..Hα-helixtrans-71-40.9-173.7-67.7-176.6000111.8L40 G43 V44 L49 L81 F84 F100 I105 L118L40-L46 HydrophobicContact CB-CD1 4.35Å; L40-L46 HydrophobicContact CB-CG 4.35Å; L40-L46 HydrophobicContact CD1-CD2 4.27Å; L40-L46 HydrophobicContact CD2-CD2 3.74Å; L40-L46 HydrophobicContact CD2-CG 4.04Å; L40-L46 HydrophobicContact CG-CD2 4.42Å; G43-L46 PolarHBondContact O-N 3.31Å; V44-L46 VanDerWaalsContact C-N 3.29Å; V44-L46 PolarHBondContact O-N 3.19Å; L46-L49 WeakPolarHBondContact O-CB 3.35Å; L46-L49 PolarHBondContact O-N 3.4Å; L46-L81 HydrophobicContact CD1-CD2 3.82Å; L46-F84 VanDerWaalsContact C-CD2 3.41Å; L46-F84 HydrophobicContact CB-CB 4.31Å; L46-F84 HydrophobicContact CB-CD1 4.4Å; L46-F84 HydrophobicContact CB-CD2 3.57Å; L46-F84 HydrophobicContact CB-CE2 3.87Å; L46-F84 HydrophobicContact CB-CG 3.82Å; L46-F84 HydrophobicContact CB-CZ 4.43Å; L46-F84 HydrophobicContact CD1-CD1 4.43Å; L46-F84 HydrophobicContact CD2-CE2 4.43Å; L46-F84 HydrophobicContact CD2-CZ 4.42Å; L46-F84 WeakPolarHBondContact O-CD2 3.07Å; L46-F84 VanDerWaalsContact O-CE2 3.27Å; L46-F84 WeakPolarHBondContact O-CE2 3.42Å; L46-F100 HydrophobicContact CD1-CE1 4.38Å; L46-F100 HydrophobicContact CD1-CZ 3.89Å; L46-I105 HydrophobicContact CD1-CD1 3.68Å; L46-L118 HydrophobicContact CD2-CD1 4.22Å; L46-L118 HydrophobicContact CD2-CD2 3.78Å
47C93.5Very high89.2Confident0 Ų028.3 Ų28.30%014%0.143CC..Hα-helixtrans-65.3-43.9173.7-64.70000111G43 V44 L49 L50 S51 I60 F66 N80G43-C47 PolarHBondContact O-N 2.98Å; G43-C47 PolarHBondContact O-SG 3.23Å; G43-C47 VanDerWaalsContact O-SG 3.39Å; V44-C47 PolarHBondContact O-N 2.97Å; C47-L49 VanDerWaalsContact C-N 3.32Å; C47-L49 PolarHBondContact O-N 3.34Å; C47-L50 WeakPolarHBondContact O-CB 3.42Å; C47-L50 PolarHBondContact O-N 3.02Å; C47-S51 PolarHBondContact O-N 3.05Å; C47-I60 HydrophobicContact CB-CD1 4.39Å; C47-I60 HydrophobicContact CB-CG2 3.64Å; C47-I60 WeakPolarHBondContact O-CD1 3.42Å; C47-I60 VanDerWaalsContact O-CG1 3.31Å; C47-I60 WeakPolarHBondContact O-CG1 3.21Å; C47-F66 HydrophobicContact CB-CD2 4.07Å; C47-F66 HydrophobicContact CB-CE2 3.64Å; C47-F66 HydrophobicContact CB-CZ 4.47Å; C47-N80 PolarHBondContact SG-O 3.18Å; C47-N80 VanDerWaalsContact SG-O 3.35Å
48H88.3Confident88.7Confident24 Ų2428.5 Ų28.511%0.11114%0.144CC..Hα-helixtrans-63.2-34.1177.9-77.320.5000113.4V44 A45 L50 S51 T52 R61 F66 Y170V44-H48 WeakPolarHBondContact O-CB 3.22Å; V44-H48 PolarHBondContact O-N 3.2Å; A45-H48 PolarHBondContact O-N 3.21Å; H48-L50 PolarHBondContact O-N 2.98Å; H48-S51 WeakPolarHBondContact O-CB 3.49Å; H48-S51 PolarHBondContact O-N 3.04Å; H48-S51 VanDerWaalsContact O-N 3.09Å; H48-T52 PolarHBondContact O-N 3.32Å; H48-T52 PolarHBondContact O-OG1 3.43Å; H48-R61 PolarHBondContact NE2-NH2 2.86Å; H48-F66 AromaticContact CE1-CE1 3.81Å; H48-F66 AromaticContact CE1-CZ 3.6Å; H48-F66 AromaticContact ND1-CZ 3.87Å; H48-Y170 AromaticContact CD2-CG 3.99Å
49L93.3Very high88.2Confident0 Ų028.2 Ų28.20%014%0.144CC..Hα-helixtrans-51.6-42.3168.6177.466000112.3W13 L14 C17 V19 A45 L46 C47 S51 T52 L53 F84 L118 L121W13-L49 HydrophobicContact CH2-CD1 3.92Å; W13-L49 HydrophobicContact CH2-CD2 3.8Å; W13-L49 HydrophobicContact CH2-CG 4.31Å; W13-L49 HydrophobicContact CZ2-CD1 4.39Å; W13-L49 HydrophobicContact CZ3-CD1 4.19Å; W13-L49 HydrophobicContact CZ3-CD2 3.75Å; L14-L49 HydrophobicContact CD2-CD1 4.24Å; L14-L49 HydrophobicContact CD2-CD2 3.87Å; C17-L49 HydrophobicContact CB-CD1 3.57Å; V19-L49 HydrophobicContact CG2-CB 3.84Å; V19-L49 HydrophobicContact CG2-CD1 3.79Å; V19-L49 HydrophobicContact CG2-CG 4.41Å; A45-L49 PolarHBondContact O-N 3.39Å; L46-L49 WeakPolarHBondContact O-CB 3.35Å; L46-L49 PolarHBondContact O-N 3.4Å; C47-L49 VanDerWaalsContact C-N 3.32Å; C47-L49 PolarHBondContact O-N 3.34Å; L49-S51 VanDerWaalsContact C-N 3.32Å; L49-S51 PolarHBondContact O-N 2.81Å; L49-T52 PolarHBondContact O-N 3.19Å; L49-L53 HydrophobicContact CD1-CD1 3.77Å; L49-L53 HydrophobicContact CD1-CD2 4.44Å; L49-L53 HydrophobicContact CD1-CG 3.9Å; L49-L53 HydrophobicContact CD2-CD1 4.36Å; L49-L53 HydrophobicContact CG-CD1 3.76Å; L49-L53 HydrophobicContact CG-CG 4.19Å; L49-L53 WeakPolarHBondContact O-CB 3.46Å; L49-L53 VanDerWaalsContact O-CG 3.31Å; L49-L53 WeakPolarHBondContact O-CG 3.45Å; L49-L53 PolarHBondContact O-N 2.92Å; L49-F84 HydrophobicContact CD2-CE2 4.45Å; L49-L118 HydrophobicContact CD2-CD2 3.82Å; L49-L121 HydrophobicContact CD2-CD2 3.78Å; L49-L121 HydrophobicContact CG-CD2 4.42Å
50L93.4Very high87.9Confident0 Ų028 Ų280%014%0.142CC..Hα-helixtrans-69.2-28.5-179.5-59-175.7000113C47 H48 S54 I60 F84 L87 F92 L121C47-L50 WeakPolarHBondContact O-CB 3.42Å; C47-L50 PolarHBondContact O-N 3.02Å; H48-L50 PolarHBondContact O-N 2.98Å; L50-S54 WeakPolarHBondContact O-CB 3.46Å; L50-S54 PolarHBondContact O-N 3.12Å; L50-S54 PolarHBondContact O-OG 2.94Å; L50-I60 HydrophobicContact CB-CD1 4.36Å; L50-F84 HydrophobicContact CD1-CD2 3.55Å; L50-F84 HydrophobicContact CD1-CE2 3.98Å; L50-F84 HydrophobicContact CD1-CG 4.38Å; L50-F84 HydrophobicContact CD2-CD2 4.1Å; L50-F84 HydrophobicContact CD2-CE2 3.63Å; L50-F84 HydrophobicContact CD2-CZ 4.48Å; L50-F84 HydrophobicContact CG-CD2 3.7Å; L50-F84 HydrophobicContact CG-CE2 3.72Å; L50-L87 HydrophobicContact CD1-CB 3.48Å; L50-L87 VanDerWaalsContact CD1-CB 3.48Å; L50-L87 HydrophobicContact CD1-CD1 4.02Å; L50-L87 HydrophobicContact CD1-CG 4.42Å; L50-F92 HydrophobicContact CB-CE2 3.96Å; L50-F92 HydrophobicContact CB-CZ 4.23Å; L50-F92 HydrophobicContact CD1-CE2 4.46Å; L50-F92 HydrophobicContact CD2-CD2 4.05Å; L50-F92 HydrophobicContact CD2-CE2 3.7Å; L50-F92 HydrophobicContact CD2-CZ 4.04Å; L50-F92 HydrophobicContact CG-CE2 4.25Å; L50-L121 HydrophobicContact CD2-CD1 3.93Å; L50-L121 HydrophobicContact CD2-CD2 3.68Å; L50-L121 HydrophobicContact CD2-CG 4.46Å
51S88.3Confident86.9Confident18 Ų1830.2 Ų30.213%0.12615%0.15CC..Hα-helixtrans-66-49.1170.7-1650000110.2C47 H48 L49 L53 S54 N55 H56 L58C47-S51 PolarHBondContact O-N 3.05Å; H48-S51 WeakPolarHBondContact O-CB 3.49Å; H48-S51 PolarHBondContact O-N 3.04Å; H48-S51 VanDerWaalsContact O-N 3.09Å; L49-S51 VanDerWaalsContact C-N 3.32Å; L49-S51 PolarHBondContact O-N 2.81Å; S51-L53 PolarHBondContact O-N 3.19Å; S51-S54 PolarHBondContact O-N 2.87Å; S51-S54 PolarHBondContact O-OG 3.04Å; S51-N55 PolarHBondContact O-N 2.85Å; S51-H56 WeakPolarHBondContact O-CA 3.49Å; S51-H56 PolarHBondContact O-N 2.85Å; S51-H56 PolarHBondContact OG-ND1 2.78Å; S51-H56 VanDerWaalsContact OG-ND1 3.12Å; S51-L58 WeakPolarHBondContact CB-O 3.46Å; S51-L58 PolarHBondContact OG-O 3.29Å
52T87.9Confident85.8Confident31 Ų3129.1 Ų29.119%0.1915%0.15CC..Hα-helixtrans-60-47.7177.3-500000112.2H48 L49 S54 N55H48-T52 PolarHBondContact O-N 3.32Å; H48-T52 PolarHBondContact O-OG1 3.43Å; L49-T52 PolarHBondContact O-N 3.19Å; T52-S54 PolarHBondContact O-N 2.87Å; T52-N55 PolarHBondContact O-N 3.03Å; T52-N55 VanDerWaalsContact O-N 3.1Å
53L92Very high85.4Confident0 Ų030 Ų300%015%0.154CC..THydrogen-bonded Turntrans-71.5-6-179.7-63.6-179000114.6W13 L49 S51 F92 L121 R126 A127 T130W13-L53 HydrophobicContact CH2-CD1 3.73Å; W13-L53 HydrophobicContact CZ2-CD1 3.79Å; W13-L53 HydrophobicContact CZ2-CD2 4.13Å; L49-L53 HydrophobicContact CD1-CD1 3.77Å; L49-L53 HydrophobicContact CD1-CD2 4.44Å; L49-L53 HydrophobicContact CD1-CG 3.9Å; L49-L53 HydrophobicContact CD2-CD1 4.36Å; L49-L53 HydrophobicContact CG-CD1 3.76Å; L49-L53 HydrophobicContact CG-CG 4.19Å; L49-L53 WeakPolarHBondContact O-CB 3.46Å; L49-L53 VanDerWaalsContact O-CG 3.31Å; L49-L53 WeakPolarHBondContact O-CG 3.45Å; L49-L53 PolarHBondContact O-N 2.92Å; S51-L53 PolarHBondContact O-N 3.19Å; L53-F92 HydrophobicContact CB-CE1 3.78Å; L53-F92 HydrophobicContact CB-CZ 4.12Å; L53-L121 HydrophobicContact CD1-CD1 4.1Å; L53-L121 HydrophobicContact CD1-CD2 3.9Å; L53-L121 HydrophobicContact CD1-CG 3.71Å; L53-R126 CarbonylContact O-C 3.51Å; L53-R126 WeakPolarHBondContact O-CB 3.29Å; L53-A127 HydrophobicContact CB-CB 4.47Å; L53-A127 HydrophobicContact CD1-CB 4.23Å; L53-A127 HydrophobicContact CD2-CB 3.88Å; L53-A127 HydrophobicContact CG-CB 4.42Å; L53-T130 HydrophobicContact CD2-CG2 4.47Å
54S88Confident84.5Confident2 Ų237.5 Ų37.51%0.01419%0.186CC..THydrogen-bonded Turntrans-108.216.4171.459.50000112.8L50 S51 T52 H56 E57 L58L50-S54 WeakPolarHBondContact O-CB 3.46Å; L50-S54 PolarHBondContact O-N 3.12Å; L50-S54 PolarHBondContact O-OG 2.94Å; S51-S54 PolarHBondContact O-N 2.87Å; S51-S54 PolarHBondContact O-OG 3.04Å; T52-S54 PolarHBondContact O-N 2.87Å; S54-H56 PolarHBondContact O-N 3.17Å; S54-E57 VanDerWaalsContact O-CB 3.31Å; S54-E57 WeakPolarHBondContact O-CB 3.39Å; S54-E57 VanDerWaalsContact O-CG 3.27Å; S54-E57 WeakPolarHBondContact O-CG 3.49Å; S54-E57 PolarHBondContact O-N 2.82Å; S54-L58 WeakPolarHBondContact OG-CB 3.43Å; S54-L58 WeakPolarHBondContact OG-CG 3.39Å; S54-L58 PolarHBondContact OG-N 3.32Å
55N81.9Confident84.1Confident98 Ų9841.2 Ų41.252%0.52421%0.206SC..THydrogen-bonded Turntrans51.835-173.5-65.8-40.2000112.7S51 T52 E57S51-N55 PolarHBondContact O-N 2.85Å; T52-N55 PolarHBondContact O-N 3.03Å; T52-N55 VanDerWaalsContact O-N 3.1Å; N55-E57 VanDerWaalsContact C-N 3.27Å; N55-E57 PolarHBondContact O-N 3.19Å
56H76.7Confident84Confident117 Ų11741.8 Ų41.854%0.54221%0.209SC..THydrogen-bonded Turntrans63.916.9-175.2-51.5-64.4000116.2S51 S54 L58S51-H56 WeakPolarHBondContact O-CA 3.49Å; S51-H56 PolarHBondContact O-N 2.85Å; S51-H56 PolarHBondContact OG-ND1 2.78Å; S51-H56 VanDerWaalsContact OG-ND1 3.12Å; S54-H56 PolarHBondContact O-N 3.17Å; H56-L58 PolarHBondContact O-N 2.79Å
57E80.3Confident83.5Confident135 Ų13542 Ų4263%0.63121%0.21SC*.  trans-63.3-25.7167.5-67.8178152.800112.7S54 N55 R126S54-E57 VanDerWaalsContact O-CB 3.31Å; S54-E57 WeakPolarHBondContact O-CB 3.39Å; S54-E57 VanDerWaalsContact O-CG 3.27Å; S54-E57 WeakPolarHBondContact O-CG 3.49Å; S54-E57 PolarHBondContact O-N 2.82Å; N55-E57 VanDerWaalsContact C-N 3.27Å; N55-E57 PolarHBondContact O-N 3.19Å; E57-R126 IonicContact OE2-CZ 3.55Å; E57-R126 IonicContact OE2-NE 2.71Å; E57-R126 IonicContact OE2-NH2 2.95Å; E57-R126 PolarHBondContact OE2-NH2 3.1Å
58L82.7Confident82.8Confident11 Ų1145.2 Ų45.26%0.05823%0.225CC..SBendtrans-98.3100.7172.3-60.2174.6000110.3S51 S54 H56 I60 E91 F92S51-L58 WeakPolarHBondContact CB-O 3.46Å; S51-L58 PolarHBondContact OG-O 3.29Å; S54-L58 WeakPolarHBondContact OG-CB 3.43Å; S54-L58 WeakPolarHBondContact OG-CG 3.39Å; S54-L58 PolarHBondContact OG-N 3.32Å; H56-L58 PolarHBondContact O-N 2.79Å; L58-I60 PolarHBondContact O-N 3.48Å; L58-E91 HydrophobicContact CD1-CB 4Å; L58-E91 HydrophobicContact CD1-CG 4.24Å; L58-E91 HydrophobicContact CD2-CG 4.04Å; L58-F92 HydrophobicContact CD1-CE2 3.6Å; L58-F92 HydrophobicContact CD1-CZ 4.09Å
59D76.5Confident82.2Confident49 Ų4948.6 Ų48.626%0.26224%0.242SC..  trans-77.999.3162.1-175.42.8000109.9R61 S62 Q298D59-R61 VanDerWaalsContact C-N 3.27Å; D59-R61 PolarHBondContact O-N 3.27Å; D59-R61 WeakPolarHBondContact OD1-CA 3.46Å; D59-R61 VanDerWaalsContact OD1-CB 3.28Å; D59-R61 WeakPolarHBondContact OD1-CB 3.31Å; D59-R61 PolarHBondContact OD1-N 3.44Å; D59-S62 WeakPolarHBondContact O-CB 3.34Å; D59-S62 PolarHBondContact O-N 3.17Å; D59-S62 PolarHBondContact O-OG 3.21Å; D59-S62 PolarHBondContact OD1-N 3.2Å; D59-Q298 PolarHBondContact OD2-NE2 2.87Å
60I83.3Confident81.7Confident2 Ų248.6 Ų48.61%0.0124%0.242CC..SBendtrans-63.6-32.2174.4-61.2-65.7000112.1C47 L50 L58 S62 M63 F66 L87C47-I60 HydrophobicContact CB-CD1 4.39Å; C47-I60 HydrophobicContact CB-CG2 3.64Å; C47-I60 WeakPolarHBondContact O-CD1 3.42Å; C47-I60 VanDerWaalsContact O-CG1 3.31Å; C47-I60 WeakPolarHBondContact O-CG1 3.21Å; L50-I60 HydrophobicContact CB-CD1 4.36Å; L58-I60 PolarHBondContact O-N 3.48Å; I60-S62 VanDerWaalsContact C-N 3.26Å; I60-S62 PolarHBondContact O-N 3.47Å; I60-M63 HydrophobicContact CD1-CE 4.15Å; I60-M63 HydrophobicContact CD1-SD 4.41Å; I60-M63 WeakPolarHBondContact O-CB 3.31Å; I60-M63 PolarHBondContact O-N 2.72Å; I60-M63 VanDerWaalsContact O-N 3.12Å; I60-F66 HydrophobicContact CG2-CB 4.47Å; I60-F66 HydrophobicContact CG2-CD1 3.85Å; I60-F66 HydrophobicContact CG2-CD2 3.72Å; I60-F66 HydrophobicContact CG2-CE1 3.93Å; I60-F66 HydrophobicContact CG2-CE2 3.81Å; I60-F66 HydrophobicContact CG2-CG 3.74Å; I60-F66 HydrophobicContact CG2-CZ 3.91Å; I60-L87 HydrophobicContact CD1-CD1 3.66Å
61R70.6Confident80.7Confident46 Ų4652.6 Ų52.617%0.17426%0.261CS..THydrogen-bonded Turntrans-75.9-20.6-175.7-50.8-175.4170.8-1742.5111.6H48 D59 M63 E174H48-R61 PolarHBondContact NE2-NH2 2.86Å; D59-R61 VanDerWaalsContact C-N 3.27Å; D59-R61 PolarHBondContact O-N 3.27Å; D59-R61 WeakPolarHBondContact OD1-CA 3.46Å; D59-R61 VanDerWaalsContact OD1-CB 3.28Å; D59-R61 WeakPolarHBondContact OD1-CB 3.31Å; D59-R61 PolarHBondContact OD1-N 3.44Å; R61-M63 PolarHBondContact O-N 3.19Å; R61-E174 IonicContact CZ-OE1 3.6Å; R61-E174 IonicContact CZ-OE2 2.99Å; R61-E174 IonicContact NE-OE1 2.7Å; R61-E174 PolarHBondContact NE-OE1 2.89Å; R61-E174 IonicContact NH1-OE1 3.25Å; R61-E174 PolarHBondContact NH1-OE1 3.34Å; R61-E174 IonicContact NH1-OE2 2.69Å; R61-E174 PolarHBondContact NH1-OE2 2.79Å; R61-E174 IonicContact NH2-OE1 3.76Å; R61-E174 PolarHBondContact NH2-OE1 2.9Å
62S68.7Low80Confident49 Ų4957.7 Ų57.734%0.34329%0.286SS..THydrogen-bonded Turntrans-67.9-21.3168.279.70000113.9D59 I60 K64 N302D59-S62 WeakPolarHBondContact O-CB 3.34Å; D59-S62 PolarHBondContact O-N 3.17Å; D59-S62 PolarHBondContact O-OG 3.21Å; D59-S62 PolarHBondContact OD1-N 3.2Å; I60-S62 VanDerWaalsContact C-N 3.26Å; I60-S62 PolarHBondContact O-N 3.47Å; S62-K64 PolarHBondContact O-N 2.7Å; S62-N302 WeakPolarHBondContact CA-ND2 3.43Å; S62-N302 VanDerWaalsContact CB-CG 3.46Å; S62-N302 WeakPolarHBondContact CB-ND2 3.42Å; S62-N302 WeakPolarHBondContact CB-OD1 3.19Å
63M79.9Confident80.1Confident43 Ų4356.3 Ų56.321%0.21228%0.278CS..  trans-82.5120.8-166.3-56.9-168.9-174.400111.8I60 R61 D65 F66 L83 L87I60-M63 HydrophobicContact CD1-CE 4.15Å; I60-M63 HydrophobicContact CD1-SD 4.41Å; I60-M63 WeakPolarHBondContact O-CB 3.31Å; I60-M63 PolarHBondContact O-N 2.72Å; I60-M63 VanDerWaalsContact O-N 3.12Å; R61-M63 PolarHBondContact O-N 3.19Å; M63-D65 PolarHBondContact O-N 3.36Å; M63-F66 HydrophobicContact CB-CB 4.44Å; M63-F66 WeakPolarHBondContact O-CB 3.48Å; M63-F66 PolarHBondContact O-N 3Å; M63-L83 HydrophobicContact CB-CD2 4.36Å; M63-L83 HydrophobicContact SD-CD1 4.09Å; M63-L83 HydrophobicContact SD-CD2 4.37Å; M63-L87 HydrophobicContact CE-CD1 4.1Å; M63-L87 HydrophobicContact CE-CD2 4Å; M63-L87 HydrophobicContact SD-CD1 3.81Å; M63-L87 HydrophobicContact SD-CD2 4.12Å
64K73.8Confident80.1Confident158 Ų15857.5 Ų57.569%0.68728%0.284SS*.THydrogen-bonded Turntrans-51.9-30.2-178.2-175.2-176.9174.1-167.80114.1S62 Q397S62-K64 PolarHBondContact O-N 2.7Å; K64-Q397 PolarHBondContact O-NE2 3.18Å
65D82.4Confident80.3Confident83 Ų8358.5 Ų58.544%0.44429%0.287SS..THydrogen-bonded Turntrans-97.210.1-175.3-57.6-36.9000113.8M63 Q79M63-D65 PolarHBondContact O-N 3.36Å; D65-Q79 WeakPolarHBondContact O-CG 3.38Å; D65-Q79 PolarHBondContact O-NE2 3.12Å
66F87.4Confident80.7Confident12 Ų1254 Ų545%0.05326%0.264CS..  trans-91.1148.7171.4-175.6-119.3000111V44 C47 H48 I60 M63 H68 N80 L83 Q397V44-F66 HydrophobicContact CG1-CZ 4.23Å; C47-F66 HydrophobicContact CB-CD2 4.07Å; C47-F66 HydrophobicContact CB-CE2 3.64Å; C47-F66 HydrophobicContact CB-CZ 4.47Å; H48-F66 AromaticContact CE1-CE1 3.81Å; H48-F66 AromaticContact CE1-CZ 3.6Å; H48-F66 AromaticContact ND1-CZ 3.87Å; I60-F66 HydrophobicContact CG2-CB 4.47Å; I60-F66 HydrophobicContact CG2-CD1 3.85Å; I60-F66 HydrophobicContact CG2-CD2 3.72Å; I60-F66 HydrophobicContact CG2-CE1 3.93Å; I60-F66 HydrophobicContact CG2-CE2 3.81Å; I60-F66 HydrophobicContact CG2-CG 3.74Å; I60-F66 HydrophobicContact CG2-CZ 3.91Å; M63-F66 HydrophobicContact CB-CB 4.44Å; M63-F66 WeakPolarHBondContact O-CB 3.48Å; M63-F66 PolarHBondContact O-N 3Å; F66-H68 AromaticContact CE1-CD2 3.99Å; F66-H68 AromaticContact CE1-CE1 3.72Å; F66-H68 AromaticContact CE1-CG 3.98Å; F66-H68 AromaticContact CE1-ND1 3.81Å; F66-H68 AromaticContact CE1-NE2 3.82Å; F66-N80 WeakPolarHBondContact CD2-OD1 3.02Å; F66-L83 HydrophobicContact CB-CD2 3.74Å; F66-L83 HydrophobicContact CD2-CD2 4.16Å; F66-L83 HydrophobicContact CG-CD2 4.4Å; F66-Q397 PolarHBondContact O-NE2 2.91Å
67S85.2Confident81.5Confident4 Ų448.9 Ų48.93%0.02824%0.241CC..  trans-129.2129.7167.3-175.10000111.2M69 P70 N80 S394S67-M69 PolarHBondContact OG-N 3.34Å; S67-P70 WeakPolarHBondContact O-CD 3.46Å; S67-N80 PolarHBondContact N-OD1 3.24Å; S67-N80 PolarHBondContact O-ND2 2.82Å; S67-S394 PolarHBondContact OG-OG 2.72Å
68H79.2Confident82.1Confident67 Ų6744.6 Ų44.631%0.3122%0.22SC..SBendtrans-74.5-25.7176-80.8-80.6000113.7F66 P70F66-H68 AromaticContact CE1-CD2 3.99Å; F66-H68 AromaticContact CE1-CE1 3.72Å; F66-H68 AromaticContact CE1-CG 3.98Å; F66-H68 AromaticContact CE1-ND1 3.81Å; F66-H68 AromaticContact CE1-NE2 3.82Å; H68-P70 VanDerWaalsContact C-CD 3.41Å
69M75.1Confident82.6Confident95 Ų9545.1 Ų45.147%0.46822%0.222SC..  trans-131.259-175.2-65.6-16965.200111.9S67 Q71 R387S67-M69 PolarHBondContact OG-N 3.34Å; M69-Q71 PolarHBondContact O-N 3.39Å; M69-R387 HydrophobicContact SD-CG 4.08Å
70P82.3Confident83.4Confident0 Ų042.8 Ų42.80%021%0.21CC..  trans-69.37.1176.236.4-43000113.6D42 V44 S67 H68 N72 S73 L76 C77D42-P70 HydrophobicContact CB-CG 3.76Å; V44-P70 HydrophobicContact CG2-CG 3.84Å; S67-P70 WeakPolarHBondContact O-CD 3.46Å; H68-P70 VanDerWaalsContact C-CD 3.41Å; P70-N72 PolarHBondContact O-N 3.4Å; P70-S73 WeakPolarHBondContact O-CB 3.37Å; P70-S73 PolarHBondContact O-N 2.99Å; P70-L76 HydrophobicContact CB-CB 3.53Å; P70-C77 PolarHBondContact O-SG 2.99Å
71Q71.6Confident84Confident85 Ų8542.7 Ų42.740%0.39721%0.209SC..THydrogen-bonded Turntrans-61.4126.3-173.8-49.8-67.3-45.600110.2D42 M69 S73D42-Q71 PolarHBondContact OD2-NE2 3.08Å; M69-Q71 PolarHBondContact O-N 3.39Å; Q71-S73 PolarHBondContact O-N 3.42Å
72N75.5Confident85.1Confident125 Ų12543.1 Ų43.167%0.66821%0.211SC*.THydrogen-bonded Turntrans68.63.4-170.3-41.7-67.8000116.4P70 D422P70-N72 PolarHBondContact O-N 3.4Å; N72-D422 PolarHBondContact O-N 2.75Å
73S89.5Confident86.3Confident2 Ų241.4 Ų41.41%0.01420%0.198CC..BIsolated β-bridgetrans-108.7109.9174.7177.80000111.1P70 Q71 F75 L76 C77 D422P70-S73 WeakPolarHBondContact O-CB 3.37Å; P70-S73 PolarHBondContact O-N 2.99Å; Q71-S73 PolarHBondContact O-N 3.42Å; S73-F75 PolarHBondContact O-N 2.82Å; S73-F75 PolarHBondContact OG-N 2.99Å; S73-L76 WeakPolarHBondContact OG-CB 3.35Å; S73-L76 VanDerWaalsContact OG-CG 3.26Å; S73-L76 WeakPolarHBondContact OG-CG 3.43Å; S73-L76 PolarHBondContact OG-N 2.92Å; S73-C77 PolarHBondContact O-N 3.13Å; S73-C77 PolarHBondContact O-SG 3.44Å; S73-D422 VanDerWaalsContact CA-OD1 3.24Å; S73-D422 WeakPolarHBondContact CA-OD1 3.45Å; S73-D422 WeakPolarHBondContact CB-OD1 3.23Å; S73-D422 PolarHBondContact OG-OD1 2.82Å
74Q91.3Very high87.1Confident25 Ų2539.3 Ų39.312%0.11719%0.187CC..Hα-helixtrans-63.5-34.8171.7172.9175.94.500110.4F78 Y106 D422 G423 Y439Q74-F78 HydrophobicContact CG-CD2 3.92Å; Q74-F78 HydrophobicContact CG-CE2 3.98Å; Q74-F78 WeakPolarHBondContact O-CB 3.49Å; Q74-F78 VanDerWaalsContact O-CD2 3.31Å; Q74-F78 WeakPolarHBondContact O-CD2 3.47Å; Q74-F78 PolarHBondContact O-N 2.96Å; Q74-Y106 HydrophobicContact CB-CE1 4.21Å; Q74-Y106 WeakPolarHBondContact CB-OH 3.33Å; Q74-Y106 HydrophobicContact CG-CD1 4.39Å; Q74-Y106 HydrophobicContact CG-CE1 3.73Å; Q74-D422 PolarHBondContact N-OD2 2.69Å; Q74-G423 VanDerWaalsContact OE1-CA 3.25Å; Q74-Y439 VanDerWaalsContact CB-OH 3.25Å; Q74-Y439 WeakPolarHBondContact CB-OH 3.36Å; Q74-Y439 HydrophobicContact CG-CE2 4.44Å; Q74-Y439 WeakPolarHBondContact CG-OH 3.27Å
75F92.2Very high88.1Confident22 Ų2232.4 Ų32.410%0.09616%0.158CC..Hα-helixtrans-62.8-53.1179.8171.3-105.2000111.8S73 C77 F78 Q79 I398 D422 Y439 F441 F457S73-F75 PolarHBondContact O-N 2.82Å; S73-F75 PolarHBondContact OG-N 2.99Å; F75-C77 PolarHBondContact O-N 3.07Å; F75-F78 WeakPolarHBondContact O-CB 3.31Å; F75-F78 PolarHBondContact O-N 3.27Å; F75-Q79 WeakPolarHBondContact O-CB 3.43Å; F75-Q79 PolarHBondContact O-N 2.99Å; F75-I398 HydrophobicContact CD1-CD1 4.33Å; F75-I398 HydrophobicContact CD1-CG1 3.42Å; F75-I398 VanDerWaalsContact CD1-CG1 3.42Å; F75-I398 HydrophobicContact CE1-CB 4.44Å; F75-I398 HydrophobicContact CE1-CG1 3.66Å; F75-I398 HydrophobicContact CG-CG1 4.37Å; F75-D422 PolarHBondContact N-OD2 3.23Å; F75-Y439 PolarHBondContact N-OH 3.3Å; F75-F441 HydrophobicContact CB-CE1 4.04Å; F75-F441 HydrophobicContact CG-CE1 4.34Å; F75-F457 AromaticContact CD2-CE2 3.5Å; F75-F457 HydrophobicContact CD2-CE2 3.5Å; F75-F457 AromaticContact CD2-CZ 3.99Å; F75-F457 HydrophobicContact CD2-CZ 3.99Å; F75-F457 AromaticContact CE2-CE2 3.75Å; F75-F457 HydrophobicContact CE2-CE2 3.75Å
76L91.2Very high88.7Confident5 Ų533.2 Ų33.23%0.02616%0.159CC..Hα-helixtrans-68.4-35-177.1-60.4169.8000111.6P70 S73 Q79 N80 Q397P70-L76 HydrophobicContact CB-CB 3.53Å; S73-L76 WeakPolarHBondContact OG-CB 3.35Å; S73-L76 VanDerWaalsContact OG-CG 3.26Å; S73-L76 WeakPolarHBondContact OG-CG 3.43Å; S73-L76 PolarHBondContact OG-N 2.92Å; L76-Q79 PolarHBondContact O-N 3.5Å; L76-N80 PolarHBondContact O-N 3.06Å; L76-Q397 VanDerWaalsContact CD2-OE1 3.25Å
77C93.2Very high89Confident8 Ų833.2 Ų33.25%0.05416%0.16CC..Hα-helixtrans-59.6-48.3170.1-65.40000111.4P70 S73 F75 Q79 N80 L81 Y106P70-C77 PolarHBondContact O-SG 2.99Å; S73-C77 PolarHBondContact O-N 3.13Å; S73-C77 PolarHBondContact O-SG 3.44Å; F75-C77 PolarHBondContact O-N 3.07Å; C77-Q79 VanDerWaalsContact C-N 3.27Å; C77-Q79 PolarHBondContact O-N 3.31Å; C77-N80 PolarHBondContact O-N 3.39Å; C77-L81 WeakPolarHBondContact O-CB 3.46Å; C77-L81 VanDerWaalsContact O-CG 3.27Å; C77-L81 WeakPolarHBondContact O-CG 3.3Å; C77-L81 PolarHBondContact O-N 2.87Å; C77-Y106 HydrophobicContact CB-CD2 3.63Å; C77-Y106 HydrophobicContact CB-CE2 3.49Å; C77-Y106 VanDerWaalsContact CB-CE2 3.49Å
78F92.9Very high89.6Confident46 Ų4633 Ų3320%0.20216%0.159CC..Hα-helixtrans-61.8-34.4175.6-94.7-116.4000112.5Q74 F75 R82 P102 Y106 H107Q74-F78 HydrophobicContact CG-CD2 3.92Å; Q74-F78 HydrophobicContact CG-CE2 3.98Å; Q74-F78 WeakPolarHBondContact O-CB 3.49Å; Q74-F78 VanDerWaalsContact O-CD2 3.31Å; Q74-F78 WeakPolarHBondContact O-CD2 3.47Å; Q74-F78 PolarHBondContact O-N 2.96Å; F75-F78 WeakPolarHBondContact O-CB 3.31Å; F75-F78 PolarHBondContact O-N 3.27Å; F78-R82 WeakPolarHBondContact O-CB 3.39Å; F78-R82 PolarHBondContact O-N 3.05Å; F78-P102 HydrophobicContact CB-CB 4.41Å; F78-P102 HydrophobicContact CD1-CB 3.62Å; F78-P102 HydrophobicContact CD1-CG 4.46Å; F78-P102 HydrophobicContact CE1-CB 3.96Å; F78-P102 HydrophobicContact CG-CB 3.96Å; F78-Y106 HydrophobicContact CD2-CD1 4.34Å; F78-Y106 HydrophobicContact CD2-CD2 4.28Å; F78-Y106 HydrophobicContact CD2-CG 4.01Å; F78-Y106 AromaticContact CE2-CD1 3.6Å; F78-Y106 HydrophobicContact CE2-CD1 3.6Å; F78-Y106 HydrophobicContact CE2-CD2 4.27Å; F78-Y106 HydrophobicContact CE2-CE1 4.33Å; F78-Y106 AromaticContact CE2-CG 3.55Å; F78-Y106 HydrophobicContact CE2-CG 3.55Å; F78-H107 AromaticContact CZ-CE1 3.91Å
79Q92.8Very high90.4Very high21 Ų2132.9 Ų32.910%0.09816%0.158CC..Hα-helixtrans-68.8-48178.4-165.7178.4-14.800111.6D65 F75 L76 C77 R82 L83D65-Q79 WeakPolarHBondContact O-CG 3.38Å; D65-Q79 PolarHBondContact O-NE2 3.12Å; F75-Q79 WeakPolarHBondContact O-CB 3.43Å; F75-Q79 PolarHBondContact O-N 2.99Å; L76-Q79 PolarHBondContact O-N 3.5Å; C77-Q79 VanDerWaalsContact C-N 3.27Å; C77-Q79 PolarHBondContact O-N 3.31Å; Q79-R82 WeakPolarHBondContact O-CB 3.36Å; Q79-R82 PolarHBondContact O-N 3.16Å; Q79-L83 WeakPolarHBondContact O-CB 3.32Å; Q79-L83 PolarHBondContact O-N 3.47Å
80N93.5Very high91.3Very high0 Ų035.4 Ų35.40%017%0.167CC..Hα-helixtrans-59.5-48.4173.9-77.7-12.6000112D42 C47 F66 S67 L76 C77 R82 L83 F84D42-N80 VanDerWaalsContact O-CB 3.29Å; D42-N80 WeakPolarHBondContact O-CB 3.25Å; D42-N80 PolarHBondContact O-ND2 2.83Å; C47-N80 PolarHBondContact SG-O 3.18Å; C47-N80 VanDerWaalsContact SG-O 3.35Å; F66-N80 WeakPolarHBondContact CD2-OD1 3.02Å; S67-N80 PolarHBondContact N-OD1 3.24Å; S67-N80 PolarHBondContact O-ND2 2.82Å; L76-N80 PolarHBondContact O-N 3.06Å; C77-N80 PolarHBondContact O-N 3.39Å; N80-R82 VanDerWaalsContact C-N 3.25Å; N80-R82 PolarHBondContact O-N 3.19Å; N80-L83 PolarHBondContact O-N 3.01Å; N80-F84 PolarHBondContact O-N 2.88Å
81L94.8Very high91.8Very high0 Ų037.2 Ų37.20%018%0.175CC..Hα-helixtrans-60.9-33.5177.9-71.5176000112.9L46 C77 T85 F100 P102 I105L46-L81 HydrophobicContact CD1-CD2 3.82Å; C77-L81 WeakPolarHBondContact O-CB 3.46Å; C77-L81 VanDerWaalsContact O-CG 3.27Å; C77-L81 WeakPolarHBondContact O-CG 3.3Å; C77-L81 PolarHBondContact O-N 2.87Å; L81-T85 PolarHBondContact O-N 3.21Å; L81-T85 PolarHBondContact O-OG1 3.34Å; L81-F100 HydrophobicContact CB-CE2 4.44Å; L81-F100 HydrophobicContact CD2-CE2 4.19Å; L81-F100 HydrophobicContact CD2-CZ 4.35Å; L81-P102 HydrophobicContact CB-CB 3.82Å; L81-P102 HydrophobicContact CB-CG 4.15Å; L81-P102 HydrophobicContact CD1-CB 4.22Å; L81-P102 WeakPolarHBondContact CD1-O 3.25Å; L81-I105 HydrophobicContact CD1-CB 4.33Å; L81-I105 HydrophobicContact CD2-CB 4.44Å; L81-I105 HydrophobicContact CD2-CD1 4.09Å
82R94Very high92.9Very high56 Ų5633.7 Ų33.721%0.21116%0.158CC..Hα-helixtrans-71.7-45.8173.8-178.1-161.2-46.6-76.21.6111.8F78 Q79 N80 F84 T85 Q86 P102 D455F78-R82 WeakPolarHBondContact O-CB 3.39Å; F78-R82 PolarHBondContact O-N 3.05Å; Q79-R82 WeakPolarHBondContact O-CB 3.36Å; Q79-R82 PolarHBondContact O-N 3.16Å; N80-R82 VanDerWaalsContact C-N 3.25Å; N80-R82 PolarHBondContact O-N 3.19Å; R82-F84 VanDerWaalsContact C-N 3.28Å; R82-F84 PolarHBondContact O-N 3.3Å; R82-T85 PolarHBondContact O-N 3.35Å; R82-T85 VanDerWaalsContact O-N 3.12Å; R82-T85 PolarHBondContact O-OG1 3.27Å; R82-Q86 HydrophobicContact CG-CG 4.43Å; R82-Q86 WeakPolarHBondContact O-CG 3.37Å; R82-Q86 PolarHBondContact O-N 3.49Å; R82-P102 HydrophobicContact CB-CG 4.17Å; R82-D455 IonicContact CZ-OD1 3.55Å; R82-D455 IonicContact CZ-OD2 3.8Å; R82-D455 IonicContact NH1-OD1 3.73Å; R82-D455 PolarHBondContact NH1-OD1 2.93Å; R82-D455 IonicContact NH1-OD2 2.73Å; R82-D455 PolarHBondContact NH1-OD2 3.19Å; R82-D455 IonicContact NH2-OD1 2.69Å; R82-D455 PolarHBondContact NH2-OD1 2.86Å; R82-D455 IonicContact NH2-OD2 2.92Å
83L94.3Very high93.8Very high12 Ų1234.3 Ų34.36%0.06316%0.162CC..Hα-helixtrans-56.8-44.8176.7179.462.5000110.6M63 F66 Q79 N80 T85 Q86 L87M63-L83 HydrophobicContact CB-CD2 4.36Å; M63-L83 HydrophobicContact SD-CD1 4.09Å; M63-L83 HydrophobicContact SD-CD2 4.37Å; F66-L83 HydrophobicContact CB-CD2 3.74Å; F66-L83 HydrophobicContact CD2-CD2 4.16Å; F66-L83 HydrophobicContact CG-CD2 4.4Å; Q79-L83 WeakPolarHBondContact O-CB 3.32Å; Q79-L83 PolarHBondContact O-N 3.47Å; N80-L83 PolarHBondContact O-N 3.01Å; L83-T85 PolarHBondContact O-N 2.88Å; L83-Q86 PolarHBondContact O-N 2.89Å; L83-L87 HydrophobicContact CD1-CD1 4.03Å; L83-L87 HydrophobicContact CD1-CG 4.17Å; L83-L87 HydrophobicContact CG-CD1 3.94Å; L83-L87 HydrophobicContact CG-CG 4.48Å; L83-L87 WeakPolarHBondContact O-CB 3.36Å; L83-L87 VanDerWaalsContact O-CG 3.29Å; L83-L87 WeakPolarHBondContact O-CG 3.49Å; L83-L87 PolarHBondContact O-N 3.21Å
84F96.1Very high94Very high0 Ų034.5 Ų34.50%016%0.162CC..Hα-helixtrans-54.3-50.5172.7174-96.7000112.9L46 L49 L50 N80 R82 L87 C88 F100 T117 L118 L121L46-F84 VanDerWaalsContact C-CD2 3.41Å; L46-F84 HydrophobicContact CB-CB 4.31Å; L46-F84 HydrophobicContact CB-CD1 4.4Å; L46-F84 HydrophobicContact CB-CD2 3.57Å; L46-F84 HydrophobicContact CB-CE2 3.87Å; L46-F84 HydrophobicContact CB-CG 3.82Å; L46-F84 HydrophobicContact CB-CZ 4.43Å; L46-F84 HydrophobicContact CD1-CD1 4.43Å; L46-F84 HydrophobicContact CD2-CE2 4.43Å; L46-F84 HydrophobicContact CD2-CZ 4.42Å; L46-F84 WeakPolarHBondContact O-CD2 3.07Å; L46-F84 VanDerWaalsContact O-CE2 3.27Å; L46-F84 WeakPolarHBondContact O-CE2 3.42Å; L49-F84 HydrophobicContact CD2-CE2 4.45Å; L50-F84 HydrophobicContact CD1-CD2 3.55Å; L50-F84 HydrophobicContact CD1-CE2 3.98Å; L50-F84 HydrophobicContact CD1-CG 4.38Å; L50-F84 HydrophobicContact CD2-CD2 4.1Å; L50-F84 HydrophobicContact CD2-CE2 3.63Å; L50-F84 HydrophobicContact CD2-CZ 4.48Å; L50-F84 HydrophobicContact CG-CD2 3.7Å; L50-F84 HydrophobicContact CG-CE2 3.72Å; N80-F84 PolarHBondContact O-N 2.88Å; R82-F84 VanDerWaalsContact C-N 3.28Å; R82-F84 PolarHBondContact O-N 3.3Å; F84-L87 PolarHBondContact O-N 3.45Å; F84-C88 WeakPolarHBondContact CE1-SG 3.44Å; F84-C88 WeakPolarHBondContact CZ-SG 3.35Å; F84-C88 WeakPolarHBondContact O-CB 3.33Å; F84-C88 PolarHBondContact O-N 3.25Å; F84-C88 PolarHBondContact O-SG 3.43Å; F84-F100 AromaticContact CD1-CE1 3.72Å; F84-F100 HydrophobicContact CD1-CE1 3.72Å; F84-F100 AromaticContact CD1-CZ 3.46Å; F84-F100 HydrophobicContact CD1-CZ 3.46Å; F84-F100 VanDerWaalsContact CD1-CZ 3.46Å; F84-F100 AromaticContact CE1-CE1 3.47Å; F84-F100 HydrophobicContact CE1-CE1 3.47Å; F84-F100 VanDerWaalsContact CE1-CE1 3.47Å; F84-F100 AromaticContact CE1-CZ 3.74Å; F84-F100 HydrophobicContact CE1-CZ 3.74Å; F84-T117 HydrophobicContact CE1-CG2 4.36Å; F84-L118 HydrophobicContact CZ-CD2 3.79Å; F84-L121 HydrophobicContact CE2-CD2 3.98Å; F84-L121 HydrophobicContact CZ-CD2 3.78Å
85T96Very high94.2Very high12 Ų1236 Ų367%0.07418%0.175CC..Hα-helixtrans-68.2-36.2-17851.70000112.4L81 R82 L83 C88 E89 L99 F100L81-T85 PolarHBondContact O-N 3.21Å; L81-T85 PolarHBondContact O-OG1 3.34Å; R82-T85 PolarHBondContact O-N 3.35Å; R82-T85 VanDerWaalsContact O-N 3.12Å; R82-T85 PolarHBondContact O-OG1 3.27Å; L83-T85 PolarHBondContact O-N 2.88Å; T85-C88 WeakPolarHBondContact O-CB 3.39Å; T85-C88 PolarHBondContact O-N 3.48Å; T85-E89 PolarHBondContact O-N 3.38Å; T85-E89 VanDerWaalsContact O-N 3.08Å; T85-L99 HydrophobicContact CG2-CB 4.44Å; T85-L99 WeakPolarHBondContact O-CD1 3.08Å; T85-F100 HydrophobicContact CG2-CD1 4.37Å; T85-F100 HydrophobicContact CG2-CD2 3.93Å; T85-F100 HydrophobicContact CG2-CE1 4.18Å; T85-F100 HydrophobicContact CG2-CE2 3.68Å; T85-F100 HydrophobicContact CG2-CG 4.27Å; T85-F100 HydrophobicContact CG2-CZ 3.82Å
86Q94.7Very high94.2Very high100 Ų10043.6 Ų43.647%0.46720%0.203SC..Hα-helixtrans-65-41.4174.1-71.8174.6-14.700112.6R82 L83 E89 K90R82-Q86 HydrophobicContact CG-CG 4.43Å; R82-Q86 WeakPolarHBondContact O-CG 3.37Å; R82-Q86 PolarHBondContact O-N 3.49Å; L83-Q86 PolarHBondContact O-N 2.89Å; Q86-E89 PolarHBondContact O-N 3.46Å; Q86-K90 VanDerWaalsContact O-CB 3.3Å; Q86-K90 WeakPolarHBondContact O-CB 3.45Å; Q86-K90 PolarHBondContact O-N 2.94Å
87L94.7Very high94.3Very high13 Ų1349.5 Ų49.57%0.06823%0.234CC..Hα-helixtrans-69.9-37.4175-68171.2000111.7L50 I60 M63 L83 F84 E89 K90 E91L50-L87 HydrophobicContact CD1-CB 3.48Å; L50-L87 VanDerWaalsContact CD1-CB 3.48Å; L50-L87 HydrophobicContact CD1-CD1 4.02Å; L50-L87 HydrophobicContact CD1-CG 4.42Å; I60-L87 HydrophobicContact CD1-CD1 3.66Å; M63-L87 HydrophobicContact CE-CD1 4.1Å; M63-L87 HydrophobicContact CE-CD2 4Å; M63-L87 HydrophobicContact SD-CD1 3.81Å; M63-L87 HydrophobicContact SD-CD2 4.12Å; L83-L87 HydrophobicContact CD1-CD1 4.03Å; L83-L87 HydrophobicContact CD1-CG 4.17Å; L83-L87 HydrophobicContact CG-CD1 3.94Å; L83-L87 HydrophobicContact CG-CG 4.48Å; L83-L87 WeakPolarHBondContact O-CB 3.36Å; L83-L87 VanDerWaalsContact O-CG 3.29Å; L83-L87 WeakPolarHBondContact O-CG 3.49Å; L83-L87 PolarHBondContact O-N 3.21Å; F84-L87 PolarHBondContact O-N 3.45Å; L87-E89 VanDerWaalsContact C-N 3.29Å; L87-E89 PolarHBondContact O-N 2.95Å; L87-K90 PolarHBondContact O-N 3.36Å; L87-E91 HydrophobicContact CD2-CG 4.02Å; L87-E91 WeakPolarHBondContact O-CA 3.31Å; L87-E91 VanDerWaalsContact O-CB 3.32Å; L87-E91 WeakPolarHBondContact O-CB 3.46Å; L87-E91 PolarHBondContact O-N 3.27Å
88C96.5Very high94.2Very high0 Ų052.3 Ų52.30%025%0.248CC..Hα-helixtrans-57.9-41172.2-75.20000112.5F84 T85 F92 D93 I94 L99F84-C88 WeakPolarHBondContact CE1-SG 3.44Å; F84-C88 WeakPolarHBondContact CZ-SG 3.35Å; F84-C88 WeakPolarHBondContact O-CB 3.33Å; F84-C88 PolarHBondContact O-N 3.25Å; F84-C88 PolarHBondContact O-SG 3.43Å; T85-C88 WeakPolarHBondContact O-CB 3.39Å; T85-C88 PolarHBondContact O-N 3.48Å; C88-F92 CarbonylContact O-C 3.52Å; C88-D93 PolarHBondContact O-N 3.34Å; C88-I94 HydrophobicContact CB-CB 4.33Å; C88-I94 HydrophobicContact CB-CD1 4.03Å; C88-I94 HydrophobicContact CB-CG1 4.42Å; C88-I94 WeakPolarHBondContact O-CB 3.32Å; C88-I94 WeakPolarHBondContact O-CG1 3.06Å; C88-I94 PolarHBondContact O-N 3.01Å; C88-L99 HydrophobicContact CB-CD2 3.75Å
89E96Very high94.3Very high64 Ų6450.6 Ų50.630%0.29924%0.241SC..Hα-helixtrans-66.8-52.1174.4-168.9-171.6146.400111.8T85 Q86 L87 R96 L99T85-E89 PolarHBondContact O-N 3.38Å; T85-E89 VanDerWaalsContact O-N 3.08Å; Q86-E89 PolarHBondContact O-N 3.46Å; L87-E89 VanDerWaalsContact C-N 3.29Å; L87-E89 PolarHBondContact O-N 2.95Å; E89-R96 HydrophobicContact CG-CG 4.23Å; E89-R96 IonicContact OE1-CZ 2.69Å; E89-R96 IonicContact OE1-NE 3.57Å; E89-R96 PolarHBondContact OE1-NE 2.86Å; E89-R96 IonicContact OE1-NH2 2.7Å; E89-R96 PolarHBondContact OE1-NH2 3.03Å; E89-R96 WeakPolarHBondContact OE2-CG 3.27Å; E89-R96 IonicContact OE2-CZ 3.84Å; E89-R96 IonicContact OE2-NE 2.71Å; E89-R96 PolarHBondContact OE2-NE 3.4Å; E89-R96 IonicContact OE2-NH2 3.52Å; E89-L99 HydrophobicContact CB-CD1 4.08Å
90K93.7Very high94.4Very high148 Ų14849.6 Ų49.664%0.64324%0.236SC*.Hα-helixtrans-80.9-34.5-167.1179.4177.5172.3-89.30114.7Q86 L87Q86-K90 VanDerWaalsContact O-CB 3.3Å; Q86-K90 WeakPolarHBondContact O-CB 3.45Å; Q86-K90 PolarHBondContact O-N 2.94Å; L87-K90 PolarHBondContact O-N 3.36Å
91E93.3Very high94.4Very high38 Ų3855.1 Ų55.118%0.17826%0.262CS..Hα-helixtrans-114.6-9.8-168-63.3-68.3150.800113L58 L87 R126L58-E91 HydrophobicContact CD1-CB 4Å; L58-E91 HydrophobicContact CD1-CG 4.24Å; L58-E91 HydrophobicContact CD2-CG 4.04Å; L87-E91 HydrophobicContact CD2-CG 4.02Å; L87-E91 WeakPolarHBondContact O-CA 3.31Å; L87-E91 VanDerWaalsContact O-CB 3.32Å; L87-E91 WeakPolarHBondContact O-CB 3.46Å; L87-E91 PolarHBondContact O-N 3.27Å; E91-R126 WeakPolarHBondContact O-CD 3.17Å; E91-R126 PolarHBondContact O-NH1 3.4Å; E91-R126 IonicContact OE2-CZ 3.27Å; E91-R126 IonicContact OE2-NH1 3.78Å; E91-R126 PolarHBondContact OE2-NH1 2.87Å
92F94.8Very high94.3Very high10 Ų1055.7 Ų55.74%0.04427%0.266CS..Hα-helixtrans-132.19.2-179.5-66.2-95.1000113.8L50 L53 L58 C88 I94 L121 R126L50-F92 HydrophobicContact CB-CE2 3.96Å; L50-F92 HydrophobicContact CB-CZ 4.23Å; L50-F92 HydrophobicContact CD1-CE2 4.46Å; L50-F92 HydrophobicContact CD2-CD2 4.05Å; L50-F92 HydrophobicContact CD2-CE2 3.7Å; L50-F92 HydrophobicContact CD2-CZ 4.04Å; L50-F92 HydrophobicContact CG-CE2 4.25Å; L53-F92 HydrophobicContact CB-CE1 3.78Å; L53-F92 HydrophobicContact CB-CZ 4.12Å; L58-F92 HydrophobicContact CD1-CE2 3.6Å; L58-F92 HydrophobicContact CD1-CZ 4.09Å; C88-F92 CarbonylContact O-C 3.52Å; F92-I94 VanDerWaalsContact C-N 3.27Å; F92-I94 HydrophobicContact CB-CD1 4.48Å; F92-I94 HydrophobicContact CB-CG1 4.22Å; F92-I94 PolarHBondContact O-N 2.8Å; F92-L121 HydrophobicContact CB-CD1 3.99Å; F92-L121 HydrophobicContact CD1-CD1 3.64Å; F92-L121 HydrophobicContact CD2-CD1 4.39Å; F92-L121 HydrophobicContact CE1-CD1 4.19Å; F92-L121 HydrophobicContact CG-CD1 3.75Å; F92-R126 HydrophobicContact CD1-CB 3.88Å; F92-R126 HydrophobicContact CE1-CB 3.65Å
93D94.2Very high94.1Very high139 Ų13954 Ų5474%0.74327%0.265SS*.  trans55.729.3176.9-57.8-55.1000115.2C88 P95C88-D93 PolarHBondContact O-N 3.34Å; D93-P95 WeakPolarHBondContact O-CD 3.27Å
94I94.9Very high93.9Very high5 Ų554.2 Ų54.23%0.02627%0.267CS..  trans-80.8121.1-177.9-56.4-171.7000110.9C88 F92 R96 L98 L99 K120 L121C88-I94 HydrophobicContact CB-CB 4.33Å; C88-I94 HydrophobicContact CB-CD1 4.03Å; C88-I94 HydrophobicContact CB-CG1 4.42Å; C88-I94 WeakPolarHBondContact O-CB 3.32Å; C88-I94 WeakPolarHBondContact O-CG1 3.06Å; C88-I94 PolarHBondContact O-N 3.01Å; F92-I94 VanDerWaalsContact C-N 3.27Å; F92-I94 HydrophobicContact CB-CD1 4.48Å; F92-I94 HydrophobicContact CB-CG1 4.22Å; F92-I94 PolarHBondContact O-N 2.8Å; I94-R96 PolarHBondContact O-N 2.85Å; I94-L98 HydrophobicContact CG2-CB 4.4Å; I94-L99 HydrophobicContact CB-CD2 4.08Å; I94-L99 HydrophobicContact CG2-CD2 3.62Å; I94-L99 HydrophobicContact CG2-CG 4.38Å; I94-K120 HydrophobicContact CG2-CG 4.44Å; I94-L121 HydrophobicContact CD1-CB 3.62Å; I94-L121 HydrophobicContact CD1-CD1 3.82Å; I94-L121 HydrophobicContact CD1-CG 4.29Å
95P94.1Very high93.7Very high58 Ų5854.2 Ų54.238%0.37727%0.267SS..  trans-60134.3-179.9-26.535.9000113.7D93 N97 L98D93-P95 WeakPolarHBondContact O-CD 3.27Å; P95-N97 WeakPolarHBondContact CB-OD1 3.34Å; P95-N97 PolarHBondContact O-N 3.12Å; P95-L98 HydrophobicContact CG-CD1 4.46Å; P95-L98 PolarHBondContact O-N 3.21Å
96R92.7Very high93.4Very high181 Ų18156.3 Ų56.368%0.68327%0.274SS*.G310 helixtrans-49.1-35-178.4-76.6-171.6-179.1156.315.6115.1E89 I94 L98 L99E89-R96 HydrophobicContact CG-CG 4.23Å; E89-R96 IonicContact OE1-CZ 2.69Å; E89-R96 IonicContact OE1-NE 3.57Å; E89-R96 PolarHBondContact OE1-NE 2.86Å; E89-R96 IonicContact OE1-NH2 2.7Å; E89-R96 PolarHBondContact OE1-NH2 3.03Å; E89-R96 WeakPolarHBondContact OE2-CG 3.27Å; E89-R96 IonicContact OE2-CZ 3.84Å; E89-R96 IonicContact OE2-NE 2.71Å; E89-R96 PolarHBondContact OE2-NE 3.4Å; E89-R96 IonicContact OE2-NH2 3.52Å; I94-R96 PolarHBondContact O-N 2.85Å; R96-L98 PolarHBondContact O-N 3.09Å; R96-L99 PolarHBondContact O-N 3.28Å
97N92.4Very high93Very high128 Ų12853.9 Ų53.968%0.68426%0.262SS*.G310 helixtrans-69.4-17.8-179.964-65.7000113.7P95P95-N97 WeakPolarHBondContact CB-OD1 3.34Å; P95-N97 PolarHBondContact O-N 3.12Å
98L92.3Very high92.6Very high68 Ų6853.8 Ų53.836%0.35626%0.264SS..G310 helixtrans-94.7-9.7175.5-58.4-178000113.1I94 P95 R96 T117 K120I94-L98 HydrophobicContact CG2-CB 4.4Å; P95-L98 HydrophobicContact CG-CD1 4.46Å; P95-L98 PolarHBondContact O-N 3.21Å; R96-L98 PolarHBondContact O-N 3.09Å; L98-T117 PolarHBondContact O-OG1 3.49Å; L98-K120 HydrophobicContact CD1-CG 4.02Å
99L94.8Very high92Very high9 Ų957.5 Ų57.55%0.04728%0.28CS..PPolyproline II helixtrans-79.2133178.8-59.1176.2000111.1T85 C88 E89 I94 R96 K113 T117T85-L99 HydrophobicContact CG2-CB 4.44Å; T85-L99 WeakPolarHBondContact O-CD1 3.08Å; C88-L99 HydrophobicContact CB-CD2 3.75Å; E89-L99 HydrophobicContact CB-CD1 4.08Å; I94-L99 HydrophobicContact CB-CD2 4.08Å; I94-L99 HydrophobicContact CG2-CD2 3.62Å; I94-L99 HydrophobicContact CG2-CG 4.38Å; R96-L99 PolarHBondContact O-N 3.28Å; L99-K113 WeakPolarHBondContact O-CE 3.38Å; L99-K113 PolarHBondContact O-NZ 2.76Å; L99-T117 HydrophobicContact CD2-CG2 3.89Å
100F94.7Very high91.5Very high0 Ų058 Ų580%028%0.284CS..PPolyproline II helixtrans-62.1166.8166.266.3-102.9000112L46 L81 F84 T85 D104 I105 A114 T117L46-F100 HydrophobicContact CD1-CE1 4.38Å; L46-F100 HydrophobicContact CD1-CZ 3.89Å; L81-F100 HydrophobicContact CB-CE2 4.44Å; L81-F100 HydrophobicContact CD2-CE2 4.19Å; L81-F100 HydrophobicContact CD2-CZ 4.35Å; F84-F100 AromaticContact CD1-CE1 3.72Å; F84-F100 HydrophobicContact CD1-CE1 3.72Å; F84-F100 AromaticContact CD1-CZ 3.46Å; F84-F100 HydrophobicContact CD1-CZ 3.46Å; F84-F100 VanDerWaalsContact CD1-CZ 3.46Å; F84-F100 AromaticContact CE1-CE1 3.47Å; F84-F100 HydrophobicContact CE1-CE1 3.47Å; F84-F100 VanDerWaalsContact CE1-CE1 3.47Å; F84-F100 AromaticContact CE1-CZ 3.74Å; F84-F100 HydrophobicContact CE1-CZ 3.74Å; T85-F100 HydrophobicContact CG2-CD1 4.37Å; T85-F100 HydrophobicContact CG2-CD2 3.93Å; T85-F100 HydrophobicContact CG2-CE1 4.18Å; T85-F100 HydrophobicContact CG2-CE2 3.68Å; T85-F100 HydrophobicContact CG2-CG 4.27Å; T85-F100 HydrophobicContact CG2-CZ 3.82Å; F100-D104 HydrophobicContact CB-CB 4.26Å; F100-I105 HydrophobicContact CD1-CD1 4.19Å; F100-I105 HydrophobicContact CD2-CD1 4.06Å; F100-I105 HydrophobicContact CD2-CG1 4.07Å; F100-I105 HydrophobicContact CE1-CD1 3.73Å; F100-I105 HydrophobicContact CE2-CD1 3.63Å; F100-I105 HydrophobicContact CE2-CG1 4.06Å; F100-I105 HydrophobicContact CG-CD1 4.33Å; F100-I105 HydrophobicContact CG-CG1 4.4Å; F100-I105 HydrophobicContact CZ-CD1 3.44Å; F100-I105 VanDerWaalsContact CZ-CD1 3.44Å; F100-I105 HydrophobicContact CZ-CG1 4.34Å; F100-A114 HydrophobicContact CB-CB 4.24Å; F100-A114 HydrophobicContact CD1-CB 3.75Å; F100-A114 HydrophobicContact CE1-CB 4.28Å; F100-A114 HydrophobicContact CG-CB 4.11Å; F100-T117 HydrophobicContact CD1-CG2 4.02Å; F100-T117 HydrophobicContact CE1-CG2 4.29Å; F100-T117 PolarHBondContact N-OG1 3.39Å
101Q93.1Very high91.4Very high117 Ų11751 Ų5155%0.54725%0.254SS..PPolyproline II helixtrans-103.9148.5166.6-63.7-63.1-83.900109G103 D104Q101-G103 PolarHBondContact O-N 3.03Å; Q101-D104 PolarHBondContact N-OD2 3.29Å; Q101-D104 VanDerWaalsContact O-CB 3.27Å; Q101-D104 WeakPolarHBondContact O-CB 3.38Å; Q101-D104 PolarHBondContact O-N 3.44Å
102P92.5Very high91.3Very high12 Ų1249.1 Ų49.18%0.07825%0.245CC..Hα-helixtrans-51.4-34.9-176.4-31.937.5000114.6F78 L81 R82 D104 I105 Y106F78-P102 HydrophobicContact CB-CB 4.41Å; F78-P102 HydrophobicContact CD1-CB 3.62Å; F78-P102 HydrophobicContact CD1-CG 4.46Å; F78-P102 HydrophobicContact CE1-CB 3.96Å; F78-P102 HydrophobicContact CG-CB 3.96Å; L81-P102 HydrophobicContact CB-CB 3.82Å; L81-P102 HydrophobicContact CB-CG 4.15Å; L81-P102 HydrophobicContact CD1-CB 4.22Å; L81-P102 WeakPolarHBondContact CD1-O 3.25Å; R82-P102 HydrophobicContact CB-CG 4.17Å; P102-D104 VanDerWaalsContact C-N 3.28Å; P102-D104 PolarHBondContact O-N 3.12Å; P102-I105 PolarHBondContact O-N 3.38Å; P102-Y106 WeakPolarHBondContact O-CB 3.44Å; P102-Y106 PolarHBondContact O-N 2.95Å
103G89.6Confident91.1Very high19 Ų1952 Ų5220%0.19626%0.258CS..Hα-helixtrans-67.9-17.5175.600000115.8Q101 H107Q101-G103 PolarHBondContact O-N 3.03Å; G103-H107 WeakPolarHBondContact O-CB 3.43Å; G103-H107 PolarHBondContact O-N 3.38Å; G103-H107 PolarHBondContact O-ND1 3.34Å
104D91.6Very high91.1Very high17 Ų1745.4 Ų45.49%0.09122%0.223CC..Hα-helixtrans-69-45.4176.2-66.7-36.3000110.3F100 Q101 P102 K109 N110 K113F100-D104 HydrophobicContact CB-CB 4.26Å; Q101-D104 PolarHBondContact N-OD2 3.29Å; Q101-D104 VanDerWaalsContact O-CB 3.27Å; Q101-D104 WeakPolarHBondContact O-CB 3.38Å; Q101-D104 PolarHBondContact O-N 3.44Å; P102-D104 VanDerWaalsContact C-N 3.28Å; P102-D104 PolarHBondContact O-N 3.12Å; D104-K109 CarbonylContact C-O 3.21Å; D104-K109 VanDerWaalsContact C-O 3.32Å; D104-K109 WeakPolarHBondContact CA-O 3.46Å; D104-K109 WeakPolarHBondContact CB-O 3.31Å; D104-K109 CarbonylContact O-C 3.44Å; D104-K109 PolarHBondContact O-N 3.34Å; D104-N110 PolarHBondContact OD1-ND2 2.93Å; D104-K113 IonicContact OD2-NZ 3.92Å
105I92.1Very high91Very high0 Ų045.2 Ų45.20%022%0.221CC..Hα-helixtrans-78.2-50.2174.8-54.8-171.7000110.5L40 L46 L81 F100 P102 H107 A108 F111 A114L40-I105 HydrophobicContact CB-CG2 4.39Å; L46-I105 HydrophobicContact CD1-CD1 3.68Å; L81-I105 HydrophobicContact CD1-CB 4.33Å; L81-I105 HydrophobicContact CD2-CB 4.44Å; L81-I105 HydrophobicContact CD2-CD1 4.09Å; F100-I105 HydrophobicContact CD1-CD1 4.19Å; F100-I105 HydrophobicContact CD2-CD1 4.06Å; F100-I105 HydrophobicContact CD2-CG1 4.07Å; F100-I105 HydrophobicContact CE1-CD1 3.73Å; F100-I105 HydrophobicContact CE2-CD1 3.63Å; F100-I105 HydrophobicContact CE2-CG1 4.06Å; F100-I105 HydrophobicContact CG-CD1 4.33Å; F100-I105 HydrophobicContact CG-CG1 4.4Å; F100-I105 HydrophobicContact CZ-CD1 3.44Å; F100-I105 VanDerWaalsContact CZ-CD1 3.44Å; F100-I105 HydrophobicContact CZ-CG1 4.34Å; P102-I105 PolarHBondContact O-N 3.38Å; I105-H107 VanDerWaalsContact C-N 3.3Å; I105-H107 PolarHBondContact O-N 2.88Å; I105-A108 PolarHBondContact O-N 2.94Å; I105-F111 HydrophobicContact CG1-CD2 4.36Å; I105-F111 HydrophobicContact CG1-CE2 4.44Å; I105-F111 HydrophobicContact CG2-CE2 4.4Å; I105-A114 HydrophobicContact CD1-CB 3.65Å; I105-A114 HydrophobicContact CG1-CB 3.63Å
106Y88.8Confident91Very high57 Ų5743.7 Ų43.722%0.22421%0.214CC..Hα-helixtrans-63.7-31.4-170-169.8-87.6000114.1M41 Q74 C77 F78 P102M41-Y106 HydrophobicContact CG-CD2 3.87Å; M41-Y106 HydrophobicContact CG-CE2 4.24Å; Q74-Y106 HydrophobicContact CB-CE1 4.21Å; Q74-Y106 WeakPolarHBondContact CB-OH 3.33Å; Q74-Y106 HydrophobicContact CG-CD1 4.39Å; Q74-Y106 HydrophobicContact CG-CE1 3.73Å; C77-Y106 HydrophobicContact CB-CD2 3.63Å; C77-Y106 HydrophobicContact CB-CE2 3.49Å; C77-Y106 VanDerWaalsContact CB-CE2 3.49Å; F78-Y106 HydrophobicContact CD2-CD1 4.34Å; F78-Y106 HydrophobicContact CD2-CD2 4.28Å; F78-Y106 HydrophobicContact CD2-CG 4.01Å; F78-Y106 AromaticContact CE2-CD1 3.6Å; F78-Y106 HydrophobicContact CE2-CD1 3.6Å; F78-Y106 HydrophobicContact CE2-CD2 4.27Å; F78-Y106 HydrophobicContact CE2-CE1 4.33Å; F78-Y106 AromaticContact CE2-CG 3.55Å; F78-Y106 HydrophobicContact CE2-CG 3.55Å; P102-Y106 WeakPolarHBondContact O-CB 3.44Å; P102-Y106 PolarHBondContact O-N 2.95Å
107H85.7Confident91.1Very high48 Ų4835.1 Ų35.122%0.22218%0.182CC..THydrogen-bonded Turntrans-100.911.4174.3-54.5112.3000113.3F78 G103 I105 K109 E153F78-H107 AromaticContact CZ-CE1 3.91Å; G103-H107 WeakPolarHBondContact O-CB 3.43Å; G103-H107 PolarHBondContact O-N 3.38Å; G103-H107 PolarHBondContact O-ND1 3.34Å; I105-H107 VanDerWaalsContact C-N 3.3Å; I105-H107 PolarHBondContact O-N 2.88Å; H107-K109 HydrophobicContact CB-CD 4.29Å; H107-K109 PolarHBondContact O-N 3.24Å; H107-E153 WeakPolarHBondContact O-CB 3.49Å
108A87.5Confident91.3Very high12 Ų1229 Ų2910%0.09915%0.149CC..THydrogen-bonded Turntrans49.549.9-17700000113.7V37 I105 L152V37-A108 HydrophobicContact CG1-CB 4.04Å; I105-A108 PolarHBondContact O-N 2.94Å; A108-L152 HydrophobicContact CB-CB 3.83Å; A108-L152 WeakPolarHBondContact O-CB 3.19Å
109K82.8Confident91.4Very high77 Ų7726.5 Ų26.534%0.33514%0.137SC..  trans-131.7132.7-175.7-81.6169.2-178.8159.90111D104 H107 F111 E153D104-K109 CarbonylContact C-O 3.21Å; D104-K109 VanDerWaalsContact C-O 3.32Å; D104-K109 WeakPolarHBondContact CA-O 3.46Å; D104-K109 WeakPolarHBondContact CB-O 3.31Å; D104-K109 CarbonylContact O-C 3.44Å; D104-K109 PolarHBondContact O-N 3.34Å; H107-K109 HydrophobicContact CB-CD 4.29Å; H107-K109 PolarHBondContact O-N 3.24Å; K109-F111 PolarHBondContact O-N 3.36Å; K109-E153 WeakPolarHBondContact CE-OE2 3.22Å; K109-E153 IonicContact NZ-OE1 2.85Å; K109-E153 PolarHBondContact NZ-OE1 3.37Å; K109-E153 IonicContact NZ-OE2 3.24Å; K109-E153 PolarHBondContact NZ-OE2 3.02Å
110N85.6Confident91.4Very high75 Ų7530.8 Ų30.840%0.40116%0.155SC..SBendtrans57.730-170.1-32.4-58.4000112.1D104 G112 K113 Y149 N150D104-N110 PolarHBondContact OD1-ND2 2.93Å; N110-G112 PolarHBondContact O-N 2.92Å; N110-K113 WeakPolarHBondContact O-CB 3.45Å; N110-K113 PolarHBondContact O-N 3.2Å; N110-Y149 PolarHBondContact N-O 3.29Å; N110-N150 WeakPolarHBondContact CA-OD1 3.42Å
111F91.4Very high91.4Very high0 Ų030.8 Ų30.80%016%0.155CC..Hα-helixtrans-58.4-28.1-171-179.8-116.1000113.4L36 V37 L40 I105 K109 K113 A114 I115 Y149 L152L36-F111 HydrophobicContact CD2-CE1 4.24Å; L36-F111 HydrophobicContact CD2-CZ 4.17Å; L36-F111 HydrophobicContact CG-CZ 4.17Å; V37-F111 HydrophobicContact CG2-CB 4.5Å; V37-F111 HydrophobicContact CG2-CD1 3.77Å; V37-F111 HydrophobicContact CG2-CD2 3.67Å; V37-F111 HydrophobicContact CG2-CE1 3.81Å; V37-F111 HydrophobicContact CG2-CE2 3.71Å; V37-F111 HydrophobicContact CG2-CG 3.7Å; V37-F111 HydrophobicContact CG2-CZ 3.78Å; L40-F111 HydrophobicContact CD1-CZ 4.33Å; I105-F111 HydrophobicContact CG1-CD2 4.36Å; I105-F111 HydrophobicContact CG1-CE2 4.44Å; I105-F111 HydrophobicContact CG2-CE2 4.4Å; K109-F111 PolarHBondContact O-N 3.36Å; F111-K113 PolarHBondContact O-N 3.32Å; F111-K113 VanDerWaalsContact O-N 3.17Å; F111-A114 HydrophobicContact CD2-CB 4.06Å; F111-A114 HydrophobicContact CE2-CB 4.15Å; F111-A114 WeakPolarHBondContact O-CA 3.41Å; F111-A114 VanDerWaalsContact O-CB 3.31Å; F111-A114 WeakPolarHBondContact O-CB 3.35Å; F111-A114 PolarHBondContact O-N 3.36Å; F111-I115 HydrophobicContact CD1-CD1 4Å; F111-I115 HydrophobicContact CD1-CG1 4.19Å; F111-I115 HydrophobicContact CE1-CD1 3.91Å; F111-I115 HydrophobicContact CE1-CG1 3.93Å; F111-I115 HydrophobicContact CZ-CG1 4.38Å; F111-I115 PolarHBondContact O-N 3.29Å; F111-I115 VanDerWaalsContact O-N 3.12Å; F111-Y149 HydrophobicContact CB-CD1 4.49Å; F111-Y149 HydrophobicContact CD1-CD1 4.2Å; F111-Y149 PolarHBondContact N-O 3Å; F111-L152 HydrophobicContact CB-CD1 3.78Å; F111-L152 HydrophobicContact CD1-CD1 4Å; F111-L152 HydrophobicContact CG-CD1 4.18Å
112G90.9Very high91.5Very high0 Ų025.2 Ų25.20%013%0.13CC..Hα-helixtrans-58.2-26.4172.300000113.4N110 A114 I115 A116 S144N110-G112 PolarHBondContact O-N 2.92Å; G112-A114 VanDerWaalsContact C-N 3.34Å; G112-I115 WeakPolarHBondContact O-CB 3.29Å; G112-I115 PolarHBondContact O-N 2.92Å; G112-A116 PolarHBondContact O-N 3Å; G112-S144 CarbonylContact C-O 3.38Å; G112-S144 WeakPolarHBondContact CA-O 3.49Å; G112-S144 WeakPolarHBondContact O-CB 3.21Å
113K91.7Very high91.6Very high71 Ų7128.1 Ų28.131%0.30914%0.139SC..Hα-helixtrans-65.5-35.8170.4-169-177.4172.2-154.10112.1L99 D104 N110 F111 A116 T117L99-K113 WeakPolarHBondContact O-CE 3.38Å; L99-K113 PolarHBondContact O-NZ 2.76Å; D104-K113 IonicContact OD2-NZ 3.92Å; N110-K113 WeakPolarHBondContact O-CB 3.45Å; N110-K113 PolarHBondContact O-N 3.2Å; F111-K113 PolarHBondContact O-N 3.32Å; F111-K113 VanDerWaalsContact O-N 3.17Å; K113-A116 PolarHBondContact O-N 3.13Å; K113-T117 PolarHBondContact O-N 3.01Å; K113-T117 PolarHBondContact O-OG1 2.86Å
114A93.7Very high91.8Very high0 Ų027.7 Ų27.70%013%0.133CC..Hα-helixtrans-69.1-40.1171.900000111.7F100 I105 F111 G112 A116 T117 L118F100-A114 HydrophobicContact CB-CB 4.24Å; F100-A114 HydrophobicContact CD1-CB 3.75Å; F100-A114 HydrophobicContact CE1-CB 4.28Å; F100-A114 HydrophobicContact CG-CB 4.11Å; I105-A114 HydrophobicContact CD1-CB 3.65Å; I105-A114 HydrophobicContact CG1-CB 3.63Å; F111-A114 HydrophobicContact CD2-CB 4.06Å; F111-A114 HydrophobicContact CE2-CB 4.15Å; F111-A114 WeakPolarHBondContact O-CA 3.41Å; F111-A114 VanDerWaalsContact O-CB 3.31Å; F111-A114 WeakPolarHBondContact O-CB 3.35Å; F111-A114 PolarHBondContact O-N 3.36Å; G112-A114 VanDerWaalsContact C-N 3.34Å; A114-A116 VanDerWaalsContact C-N 3.29Å; A114-A116 PolarHBondContact O-N 2.79Å; A114-T117 WeakPolarHBondContact O-CB 3.33Å; A114-T117 PolarHBondContact O-N 2.99Å; A114-L118 WeakPolarHBondContact O-CG 3.1Å; A114-L118 PolarHBondContact O-N 2.86Å
115I93.7Very high91.9Very high0 Ų036.4 Ų36.40%017%0.165CC..Hα-helixtrans-58-42.5171.3-56.7176.7000110.4W7 C10 F111 G112 L118 S119 F135 L142 Y149W7-I115 HydrophobicContact CB-CD1 3.75Å; C10-I115 HydrophobicContact CB-CG2 4.17Å; F111-I115 HydrophobicContact CD1-CD1 4Å; F111-I115 HydrophobicContact CD1-CG1 4.19Å; F111-I115 HydrophobicContact CE1-CD1 3.91Å; F111-I115 HydrophobicContact CE1-CG1 3.93Å; F111-I115 HydrophobicContact CZ-CG1 4.38Å; F111-I115 PolarHBondContact O-N 3.29Å; F111-I115 VanDerWaalsContact O-N 3.12Å; G112-I115 WeakPolarHBondContact O-CB 3.29Å; G112-I115 PolarHBondContact O-N 2.92Å; I115-L118 PolarHBondContact O-N 2.89Å; I115-S119 WeakPolarHBondContact O-CB 3.49Å; I115-S119 PolarHBondContact O-N 3.39Å; I115-F135 HydrophobicContact CG2-CE2 3.84Å; I115-F135 HydrophobicContact CG2-CZ 4.27Å; I115-L142 HydrophobicContact CG2-CD1 3.96Å; I115-L142 HydrophobicContact CG2-CD2 4.33Å; I115-Y149 HydrophobicContact CD1-CD1 4.23Å; I115-Y149 HydrophobicContact CD1-CE1 3.57Å
116A93Very high91.9Very high27 Ų2739 Ų3922%0.22318%0.175CC..Hα-helixtrans-65.1-39.3175.300000113.3G112 K113 A114 K120 L142G112-A116 PolarHBondContact O-N 3Å; K113-A116 PolarHBondContact O-N 3.13Å; A114-A116 VanDerWaalsContact C-N 3.29Å; A114-A116 PolarHBondContact O-N 2.79Å; A116-K120 WeakPolarHBondContact O-CB 3.15Å; A116-K120 PolarHBondContact O-N 3.47Å; A116-L142 HydrophobicContact CB-CD2 3.89Å
117T95.6Very high92.1Very high0 Ų036.3 Ų36.30%016%0.164CC..Hα-helixtrans-60.1-46.6172-53.20000111F84 L98 L99 F100 K113 A114 K120 L121F84-T117 HydrophobicContact CE1-CG2 4.36Å; L98-T117 PolarHBondContact O-OG1 3.49Å; L99-T117 HydrophobicContact CD2-CG2 3.89Å; F100-T117 HydrophobicContact CD1-CG2 4.02Å; F100-T117 HydrophobicContact CE1-CG2 4.29Å; F100-T117 PolarHBondContact N-OG1 3.39Å; K113-T117 PolarHBondContact O-N 3.01Å; K113-T117 PolarHBondContact O-OG1 2.86Å; A114-T117 WeakPolarHBondContact O-CB 3.33Å; A114-T117 PolarHBondContact O-N 2.99Å; T117-K120 PolarHBondContact O-N 2.97Å; T117-L121 WeakPolarHBondContact O-CB 3.26Å; T117-L121 PolarHBondContact O-N 2.93Å
118L95.9Very high92.3Very high0 Ų039.6 Ų39.60%018%0.18CC..Hα-helixtrans-69-39.6-178.8-67.5171000112.4W13 L40 L46 L49 F84 A114 I115 K120 L121 S122 F135W13-L118 HydrophobicContact CZ3-CB 4.16Å; W13-L118 HydrophobicContact CZ3-CD2 4.24Å; L40-L118 HydrophobicContact CD1-CD1 4.17Å; L46-L118 HydrophobicContact CD2-CD1 4.22Å; L46-L118 HydrophobicContact CD2-CD2 3.78Å; L49-L118 HydrophobicContact CD2-CD2 3.82Å; F84-L118 HydrophobicContact CZ-CD2 3.79Å; A114-L118 WeakPolarHBondContact O-CG 3.1Å; A114-L118 PolarHBondContact O-N 2.86Å; I115-L118 PolarHBondContact O-N 2.89Å; L118-K120 VanDerWaalsContact C-N 3.33Å; L118-K120 PolarHBondContact O-N 3.33Å; L118-L121 HydrophobicContact CD2-CD2 4.25Å; L118-L121 WeakPolarHBondContact O-CB 3.31Å; L118-L121 PolarHBondContact O-N 3.05Å; L118-S122 PolarHBondContact O-N 3.07Å; L118-F135 HydrophobicContact CB-CE1 4.07Å; L118-F135 HydrophobicContact CB-CZ 3.92Å
119S94.5Very high92.6Very high15 Ų1544.7 Ų44.711%0.10521%0.205CC..Hα-helixtrans-57.6-46.9171.2171.50000110.5I115 L121 S122 Y123 F135 P136I115-S119 WeakPolarHBondContact O-CB 3.49Å; I115-S119 PolarHBondContact O-N 3.39Å; S119-L121 PolarHBondContact O-N 3.03Å; S119-S122 WeakPolarHBondContact O-CB 3.49Å; S119-S122 PolarHBondContact O-N 3.19Å; S119-S122 PolarHBondContact O-OG 3.48Å; S119-Y123 WeakPolarHBondContact O-CD2 3.39Å; S119-Y123 PolarHBondContact O-N 3Å; S119-F135 WeakPolarHBondContact CA-O 3.15Å; S119-F135 VanDerWaalsContact CB-O 3.31Å; S119-F135 WeakPolarHBondContact CB-O 3.33Å; S119-F135 VanDerWaalsContact N-CZ 3.3Å; S119-F135 PolarHBondContact OG-O 3.28Å; S119-P136 VanDerWaalsContact OG-CD 3.23Å; S119-P136 WeakPolarHBondContact OG-CD 3.36Å
120K94.6Very high92.9Very high99 Ų9942.8 Ų42.843%0.4320%0.199SC..Hα-helixtrans-67.1-35.7178-171.754.9178.7165.90113.1I94 L98 A116 T117 L118 Y123 S124I94-K120 HydrophobicContact CG2-CG 4.44Å; L98-K120 HydrophobicContact CD1-CG 4.02Å; A116-K120 WeakPolarHBondContact O-CB 3.15Å; A116-K120 PolarHBondContact O-N 3.47Å; T117-K120 PolarHBondContact O-N 2.97Å; L118-K120 VanDerWaalsContact C-N 3.33Å; L118-K120 PolarHBondContact O-N 3.33Å; K120-Y123 CarbonylContact O-C 3.52Å; K120-Y123 PolarHBondContact O-N 3.4Å; K120-S124 PolarHBondContact O-N 2.96Å
121L96.2Very high93.2Very high0 Ų042.2 Ų42.20%021%0.211CC..Hα-helixtrans-63.6-38.8172.9177.363.4000112.1W13 L49 L50 L53 F84 F92 I94 T117 L118 S119 Y123 S124 A127W13-L121 HydrophobicContact CH2-CD2 4.27Å; W13-L121 HydrophobicContact CH2-CG 4.27Å; L49-L121 HydrophobicContact CD2-CD2 3.78Å; L49-L121 HydrophobicContact CG-CD2 4.42Å; L50-L121 HydrophobicContact CD2-CD1 3.93Å; L50-L121 HydrophobicContact CD2-CD2 3.68Å; L50-L121 HydrophobicContact CD2-CG 4.46Å; L53-L121 HydrophobicContact CD1-CD1 4.1Å; L53-L121 HydrophobicContact CD1-CD2 3.9Å; L53-L121 HydrophobicContact CD1-CG 3.71Å; F84-L121 HydrophobicContact CE2-CD2 3.98Å; F84-L121 HydrophobicContact CZ-CD2 3.78Å; F92-L121 HydrophobicContact CB-CD1 3.99Å; F92-L121 HydrophobicContact CD1-CD1 3.64Å; F92-L121 HydrophobicContact CD2-CD1 4.39Å; F92-L121 HydrophobicContact CE1-CD1 4.19Å; F92-L121 HydrophobicContact CG-CD1 3.75Å; I94-L121 HydrophobicContact CD1-CB 3.62Å; I94-L121 HydrophobicContact CD1-CD1 3.82Å; I94-L121 HydrophobicContact CD1-CG 4.29Å; T117-L121 WeakPolarHBondContact O-CB 3.26Å; T117-L121 PolarHBondContact O-N 2.93Å; L118-L121 HydrophobicContact CD2-CD2 4.25Å; L118-L121 WeakPolarHBondContact O-CB 3.31Å; L118-L121 PolarHBondContact O-N 3.05Å; S119-L121 PolarHBondContact O-N 3.03Å; L121-Y123 PolarHBondContact O-N 3.19Å; L121-S124 WeakPolarHBondContact O-CB 3.24Å; L121-S124 PolarHBondContact O-N 3.49Å; L121-S124 PolarHBondContact O-OG 3.28Å; L121-A127 VanDerWaalsContact O-CB 3.26Å; L121-A127 WeakPolarHBondContact O-CB 3.41Å
122S95.1Very high93.2Very high1 Ų143.9 Ų43.91%0.00722%0.22CC..Hα-helixtrans-61.9-26.717785.70000113.4W13 L118 S119 G134 F135W13-S122 VanDerWaalsContact CZ2-CA 3.47Å; L118-S122 PolarHBondContact O-N 3.07Å; S119-S122 WeakPolarHBondContact O-CB 3.49Å; S119-S122 PolarHBondContact O-N 3.19Å; S119-S122 PolarHBondContact O-OG 3.48Å; S122-G134 WeakPolarHBondContact OG-CA 3.41Å; S122-F135 PolarHBondContact OG-N 2.69Å; S122-F135 PolarHBondContact OG-O 2.75Å
123Y94.2Very high93.3Very high72 Ų7248 Ų4828%0.28225%0.247SC..THydrogen-bonded Turntrans-101.618.1174.1-70.5-66.8000113.6S119 K120 L121 F135 P136S119-Y123 WeakPolarHBondContact O-CD2 3.39Å; S119-Y123 PolarHBondContact O-N 3Å; K120-Y123 CarbonylContact O-C 3.52Å; K120-Y123 PolarHBondContact O-N 3.4Å; L121-Y123 PolarHBondContact O-N 3.19Å; Y123-F135 WeakPolarHBondContact CE2-O 3.33Å; Y123-P136 PolarHBondContact OH-O 3.21Å
124S94.4Very high93.3Very high10 Ų1045.3 Ų45.37%0.0724%0.239CC..SBendtrans-74.9154.7169.770.10000111.2K120 L121 R126 A127 Q128K120-S124 PolarHBondContact O-N 2.96Å; L121-S124 WeakPolarHBondContact O-CB 3.24Å; L121-S124 PolarHBondContact O-N 3.49Å; L121-S124 PolarHBondContact O-OG 3.28Å; S124-R126 VanDerWaalsContact C-N 3.33Å; S124-R126 PolarHBondContact O-N 3.13Å; S124-A127 PolarHBondContact O-N 3.01Å; S124-A127 VanDerWaalsContact OG-CB 3.25Å; S124-A127 WeakPolarHBondContact OG-CB 3.3Å; S124-A127 PolarHBondContact OG-N 3.21Å; S124-Q128 WeakPolarHBondContact O-CG 3.48Å; S124-Q128 PolarHBondContact O-N 3.34Å
125R93.1Very high93.3Very high201 Ų20145.4 Ų45.476%0.75824%0.24SC*.Hα-helixtrans-60.9-39.1-177.9-174.2178-179.91790.3112.8Q128 L129R125-Q128 PolarHBondContact O-N 3.01Å; R125-L129 WeakPolarHBondContact O-CG 3.41Å; R125-L129 PolarHBondContact O-N 3.2Å
126R92.1Very high93.1Very high54 Ų5446 Ų4620%0.20424%0.243CC..Hα-helixtrans-68.5-42.7177.6-68.4175.2100.8166.22.5111.1L53 E57 E91 F92 S124 Q128 L129L53-R126 CarbonylContact O-C 3.51Å; L53-R126 WeakPolarHBondContact O-CB 3.29Å; E57-R126 IonicContact OE2-CZ 3.55Å; E57-R126 IonicContact OE2-NE 2.71Å; E57-R126 IonicContact OE2-NH2 2.95Å; E57-R126 PolarHBondContact OE2-NH2 3.1Å; E91-R126 WeakPolarHBondContact O-CD 3.17Å; E91-R126 PolarHBondContact O-NH1 3.4Å; E91-R126 IonicContact OE2-CZ 3.27Å; E91-R126 IonicContact OE2-NH1 3.78Å; E91-R126 PolarHBondContact OE2-NH1 2.87Å; F92-R126 HydrophobicContact CD1-CB 3.88Å; F92-R126 HydrophobicContact CE1-CB 3.65Å; S124-R126 VanDerWaalsContact C-N 3.33Å; S124-R126 PolarHBondContact O-N 3.13Å; R126-Q128 PolarHBondContact O-N 2.86Å; R126-L129 WeakPolarHBondContact O-CB 3.21Å; R126-L129 PolarHBondContact O-N 3.31Å; R126-L129 VanDerWaalsContact O-N 3.14Å
127A92Very high92.7Very high1 Ų148.2 Ų48.21%0.00826%0.256CS..Hα-helixtrans-57.9-46.6172.900000112.3L53 L121 S124 L129 T130L53-A127 HydrophobicContact CB-CB 4.47Å; L53-A127 HydrophobicContact CD1-CB 4.23Å; L53-A127 HydrophobicContact CD2-CB 3.88Å; L53-A127 HydrophobicContact CG-CB 4.42Å; L121-A127 VanDerWaalsContact O-CB 3.26Å; L121-A127 WeakPolarHBondContact O-CB 3.41Å; S124-A127 PolarHBondContact O-N 3.01Å; S124-A127 VanDerWaalsContact OG-CB 3.25Å; S124-A127 WeakPolarHBondContact OG-CB 3.3Å; S124-A127 PolarHBondContact OG-N 3.21Å; A127-L129 VanDerWaalsContact C-N 3.26Å; A127-L129 PolarHBondContact O-N 3.32Å; A127-T130 WeakPolarHBondContact O-CB 3.42Å; A127-T130 PolarHBondContact O-N 3.38Å; A127-T130 PolarHBondContact O-OG1 2.81Å
128Q91.4Very high91.7Very high116 Ų11656.8 Ų56.854%0.54230%0.296SS..Hα-helixtrans-61-32177.3-72179.8-30.700113.4S124 R125 R126 T130 G131S124-Q128 WeakPolarHBondContact O-CG 3.48Å; S124-Q128 PolarHBondContact O-N 3.34Å; R125-Q128 PolarHBondContact O-N 3.01Å; R126-Q128 PolarHBondContact O-N 2.86Å; Q128-T130 PolarHBondContact O-N 3.49Å; Q128-G131 PolarHBondContact O-N 3.02Å; Q128-G131 VanDerWaalsContact O-N 3.12Å
129L92.2Very high90.5Very high120 Ų12064.7 Ų64.763%0.62834%0.338SS*.Hα-helixtrans-69.5-13.3176.1-72.3168000114R125 R126 A127 G131R125-L129 WeakPolarHBondContact O-CG 3.41Å; R125-L129 PolarHBondContact O-N 3.2Å; R126-L129 WeakPolarHBondContact O-CB 3.21Å; R126-L129 PolarHBondContact O-N 3.31Å; R126-L129 VanDerWaalsContact O-N 3.14Å; A127-L129 VanDerWaalsContact C-N 3.26Å; A127-L129 PolarHBondContact O-N 3.32Å; L129-G131 VanDerWaalsContact C-N 3.32Å
130T90.3Very high89.7Confident36 Ų3667.1 Ų67.122%0.22136%0.355CS..THydrogen-bonded Turntrans-78.2-16.8170.370.90000113.2L53 A127 Q128 I132L53-T130 HydrophobicContact CD2-CG2 4.47Å; A127-T130 WeakPolarHBondContact O-CB 3.42Å; A127-T130 PolarHBondContact O-N 3.38Å; A127-T130 PolarHBondContact O-OG1 2.81Å; Q128-T130 PolarHBondContact O-N 3.49Å; T130-I132 PolarHBondContact O-N 2.96Å; T130-I132 WeakPolarHBondContact OG1-CB 3.3Å; T130-I132 VanDerWaalsContact OG1-CG1 3.3Å; T130-I132 WeakPolarHBondContact OG1-CG1 3.48Å; T130-I132 PolarHBondContact OG1-N 2.6Å; T130-I132 VanDerWaalsContact OG1-N 3.14Å
131G91.4Very high88.8Confident63 Ų6371.5 Ų71.565%0.64937%0.374SS*.THydrogen-bonded Turntrans76.7-0.7-170.600000115.1Q128 L129 P133Q128-G131 PolarHBondContact O-N 3.02Å; Q128-G131 VanDerWaalsContact O-N 3.12Å; L129-G131 VanDerWaalsContact C-N 3.32Å; G131-P133 WeakPolarHBondContact O-CD 3.34Å
132I92.1Very high88Confident35 Ų3573.4 Ų73.418%0.17938%0.384CS..  trans-72.6123.6176.2-58.8168.5000109.2R16 T130R16-I132 HydrophobicContact CB-CG2 4.22Å; T130-I132 PolarHBondContact O-N 2.96Å; T130-I132 WeakPolarHBondContact OG1-CB 3.3Å; T130-I132 VanDerWaalsContact OG1-CG1 3.3Å; T130-I132 WeakPolarHBondContact OG1-CG1 3.48Å; T130-I132 PolarHBondContact OG1-N 2.6Å; T130-I132 VanDerWaalsContact OG1-N 3.14Å
133P91.7Very high87Confident87 Ų8777.6 Ų77.657%0.56540%0.403SS*.  trans-66.1142.9179.3-18.830.5000112.1R16 G131R16-P133 PolarHBondContact NH1-O 2.9Å; G131-P133 WeakPolarHBondContact O-CD 3.34Å
134G92.2Very high85.8Confident15 Ų1575.8 Ų75.816%0.15540%0.401CS..  trans-70.3-169.9179.500000115.1S122S122-G134 WeakPolarHBondContact OG-CA 3.41Å
135F93.5Very high84.6Confident2 Ų281.5 Ų81.51%0.00944%0.436CS..SBendtrans-151151.3168.184.8-79.5000111.5Q9 C10 W13 I115 L118 S119 S122 Y123 L142Q9-F135 HydrophobicContact CB-CB 4.44Å; Q9-F135 HydrophobicContact CB-CD2 4.02Å; C10-F135 HydrophobicContact CB-CD2 4.42Å; C10-F135 HydrophobicContact CB-CE2 3.63Å; C10-F135 HydrophobicContact CB-CZ 3.68Å; C10-F135 VanDerWaalsContact SG-CZ 3.57Å; W13-F135 HydrophobicContact CB-CB 4.33Å; W13-F135 HydrophobicContact CB-CD1 3.61Å; W13-F135 HydrophobicContact CB-CE1 4.22Å; W13-F135 HydrophobicContact CB-CG 4.13Å; W13-F135 AromaticContact CD2-CD1 3.67Å; W13-F135 HydrophobicContact CD2-CD1 3.67Å; W13-F135 AromaticContact CD2-CE1 3.83Å; W13-F135 HydrophobicContact CD2-CE1 3.83Å; W13-F135 AromaticContact CE3-CD1 3.85Å; W13-F135 HydrophobicContact CE3-CD1 3.85Å; W13-F135 AromaticContact CE3-CE1 3.48Å; W13-F135 HydrophobicContact CE3-CE1 3.48Å; W13-F135 VanDerWaalsContact CE3-CE1 3.48Å; W13-F135 AromaticContact CG-CD1 3.55Å; W13-F135 HydrophobicContact CG-CD1 3.55Å; W13-F135 HydrophobicContact CG-CE1 4.14Å; W13-F135 HydrophobicContact CG-CG 4.44Å; W13-F135 HydrophobicContact CZ3-CE1 4.08Å; I115-F135 HydrophobicContact CG2-CE2 3.84Å; I115-F135 HydrophobicContact CG2-CZ 4.27Å; L118-F135 HydrophobicContact CB-CE1 4.07Å; L118-F135 HydrophobicContact CB-CZ 3.92Å; S119-F135 WeakPolarHBondContact CA-O 3.15Å; S119-F135 VanDerWaalsContact CB-O 3.31Å; S119-F135 WeakPolarHBondContact CB-O 3.33Å; S119-F135 VanDerWaalsContact N-CZ 3.3Å; S119-F135 PolarHBondContact OG-O 3.28Å; S122-F135 PolarHBondContact OG-N 2.69Å; S122-F135 PolarHBondContact OG-O 2.75Å; Y123-F135 WeakPolarHBondContact CE2-O 3.33Å; F135-L142 HydrophobicContact CE2-CD1 4.43Å
136P90.3Very high83.7Confident11 Ų1175 Ų757%0.07141%0.414CS..SBendcis-69.2167.3-9.635.4-38000110.7S119 Y123 L142S119-P136 VanDerWaalsContact OG-CD 3.23Å; S119-P136 WeakPolarHBondContact OG-CD 3.36Å; Y123-P136 PolarHBondContact OH-O 3.21Å; P136-L142 HydrophobicContact CG-CB 4.34Å; P136-L142 HydrophobicContact CG-CD1 4.36Å
137P84.7Confident82.9Confident74 Ų7478.9 Ų78.948%0.48143%0.434SS..  trans-55.1153.2174.6-25.735000112.5N139 S140P137-N139 PolarHBondContact O-N 3.1Å; P137-S140 PolarHBondContact O-N 3.01Å
138E73.9Confident82.5Confident181 Ų18182.1 Ų82.185%0.84645%0.447SS*.THydrogen-bonded Turntrans-56-23-168.3-61.4-172.5142.600115.7
139N70.5Confident82.1Confident166 Ų16676.7 Ų76.789%0.88842%0.421SS*.THydrogen-bonded Turntrans-91.4-8.8178.5-65-38000114.2P137P137-N139 PolarHBondContact O-N 3.1Å
140S78.7Confident81.6Confident65 Ų6573.8 Ų73.846%0.45541%0.407SS..  trans-102.6143.7-173.2-66.50000111.9P137P137-S140 PolarHBondContact O-N 3.01Å
141K74.1Confident81Confident192 Ų19275.5 Ų75.584%0.83541%0.414SS*.  trans-109.5123.7178.3-71.5-179179.1175.30111.2
142L79.4Confident80.6Confident40 Ų4072.5 Ų72.521%0.20938%0.383CS..  trans-64.7129.4174.8-158.381.9000110.9D6 I115 A116 F135 P136D6-L142 HydrophobicContact CB-CD1 4.12Å; D6-L142 WeakPolarHBondContact OD1-CD1 3.33Å; D6-L142 WeakPolarHBondContact OD2-CA 3.43Å; D6-L142 WeakPolarHBondContact OD2-CD1 3.22Å; D6-L142 WeakPolarHBondContact OD2-CG 3.05Å; I115-L142 HydrophobicContact CG2-CD1 3.96Å; I115-L142 HydrophobicContact CG2-CD2 4.33Å; A116-L142 HydrophobicContact CB-CD2 3.89Å; F135-L142 HydrophobicContact CE2-CD1 4.43Å; P136-L142 HydrophobicContact CG-CB 4.34Å; P136-L142 HydrophobicContact CG-CD1 4.36Å
143Q74.5Confident79.8Confident88 Ų8874 Ų7441%0.41139%0.39SS..  trans-99.544.4174.7-60.3-161.429.800111.9D6 T145 H146D6-Q143 PolarHBondContact OD2-N 3.23Å; Q143-T145 PolarHBondContact O-N 3.23Å; Q143-H146 PolarHBondContact O-N 3.23Å; Q143-H146 VanDerWaalsContact O-N 3.07Å
144S68.9Low79.1Confident34 Ų3476.7 Ų76.724%0.23840%0.395CS..THydrogen-bonded Turntrans-57.9-8.3-175.347.60000116.9G112G112-S144 CarbonylContact C-O 3.38Å; G112-S144 WeakPolarHBondContact CA-O 3.49Å; G112-S144 WeakPolarHBondContact O-CB 3.21Å
145T68.9Low78.3Confident131 Ų13178.9 Ų78.980%0.80440%0.402SS*.THydrogen-bonded Turntrans-99.27.6178.254.80000113.8Q143Q143-T145 PolarHBondContact O-N 3.23Å
146H74.1Confident77.3Confident63 Ų6380.4 Ų80.429%0.29242%0.415SS..  trans-65.9141-176.5-165-134.3000113.3E3 Q143 Y148 Y149E3-H146 IonicContact OE2-CE1 3.78Å; E3-H146 PolarHBondContact OE2-CE1 2.99Å; E3-H146 VanDerWaalsContact OE2-CE1 3.27Å; E3-H146 IonicContact OE2-NE2 2.68Å; Q143-H146 PolarHBondContact O-N 3.23Å; Q143-H146 VanDerWaalsContact O-N 3.07Å; H146-Y148 PolarHBondContact O-N 3.44Å; H146-Y149 HydrophobicContact CB-CD2 4.03Å; H146-Y149 HydrophobicContact CB-CE2 4.08Å; H146-Y149 PolarHBondContact O-N 3.49Å; H146-Y149 VanDerWaalsContact O-N 3.07Å
147E77Confident76.2Confident136 Ų13683 Ų8364%0.63644%0.438SS*.G310 helixtrans-63.2-27.2-171.9-170.4168-147.800113.2Y149 N150E147-Y149 PolarHBondContact O-N 3.25Å; E147-N150 WeakPolarHBondContact O-CB 3.43Å; E147-N150 PolarHBondContact O-N 2.79Å
148Y82.3Confident75Confident69 Ų6982.8 Ų82.827%0.27144%0.442SS..G310 helixtrans-45.9-45.4169.5174.8-109.2000112.7A33 H146 N150 N151 L152 I155A33-Y148 HydrophobicContact CB-CE1 3.75Å; H146-Y148 PolarHBondContact O-N 3.44Å; Y148-N150 PolarHBondContact O-N 3.24Å; Y148-N151 PolarHBondContact O-N 3.07Å; Y148-L152 HydrophobicContact CD1-CD2 4.48Å; Y148-L152 HydrophobicContact CE1-CD2 3.95Å; Y148-L152 HydrophobicContact CE2-CD2 4.09Å; Y148-I155 HydrophobicContact CD2-CD1 4.15Å; Y148-I155 HydrophobicContact CE2-CD1 4.1Å
149Y83.2Confident74.4Confident2 Ų277.7 Ų77.71%0.00842%0.419CS..G310 helixtrans-73.2-7.7-177.1-59.7-59.7000114.8D6 W7 N110 F111 I115 H146 E147 L152D6-Y149 WeakPolarHBondContact CB-OH 3.27Å; W7-Y149 HydrophobicContact CB-CE1 4.35Å; N110-Y149 PolarHBondContact N-O 3.29Å; F111-Y149 HydrophobicContact CB-CD1 4.49Å; F111-Y149 HydrophobicContact CD1-CD1 4.2Å; F111-Y149 PolarHBondContact N-O 3Å; I115-Y149 HydrophobicContact CD1-CD1 4.23Å; I115-Y149 HydrophobicContact CD1-CE1 3.57Å; H146-Y149 HydrophobicContact CB-CD2 4.03Å; H146-Y149 HydrophobicContact CB-CE2 4.08Å; H146-Y149 PolarHBondContact O-N 3.49Å; H146-Y149 VanDerWaalsContact O-N 3.07Å; E147-Y149 PolarHBondContact O-N 3.25Å; Y149-L152 HydrophobicContact CD1-CD1 4.33Å
150N81.7Confident73.3Confident60 Ų6077.1 Ų77.132%0.32142%0.416SS..G310 helixtrans-94.1-24178-58.1-23.1000111.8N110 E147 Y148N110-N150 WeakPolarHBondContact CA-OD1 3.42Å; E147-N150 WeakPolarHBondContact O-CB 3.43Å; E147-N150 PolarHBondContact O-N 2.79Å; Y148-N150 PolarHBondContact O-N 3.24Å
151N78.9Confident71.8Confident71 Ų7183.5 Ų83.538%0.3844%0.436SS..SBendtrans-105.95.9-172.2-62-23.9000113.5Y148 E153 E154 I155Y148-N151 PolarHBondContact O-N 3.07Å; N151-E153 PolarHBondContact O-N 2.86Å; N151-E154 PolarHBondContact O-N 3.12Å; N151-I155 WeakPolarHBondContact O-CG1 3.28Å; N151-I155 PolarHBondContact O-N 3.39Å
152L81.8Confident70.2Confident0 Ų076.1 Ų76.10%041%0.405CS..Hα-helixtrans-58.4-30.1-178.2-68.7171.9000113.4A33 I34 V37 A108 F111 Y148 Y149 I155 A156A33-L152 HydrophobicContact CB-CD1 4.27Å; A33-L152 HydrophobicContact CB-CD2 4.16Å; I34-L152 HydrophobicContact CG1-CD2 4.02Å; V37-L152 HydrophobicContact CG2-CD1 4.21Å; A108-L152 HydrophobicContact CB-CB 3.83Å; A108-L152 WeakPolarHBondContact O-CB 3.19Å; F111-L152 HydrophobicContact CB-CD1 3.78Å; F111-L152 HydrophobicContact CD1-CD1 4Å; F111-L152 HydrophobicContact CG-CD1 4.18Å; Y148-L152 HydrophobicContact CD1-CD2 4.48Å; Y148-L152 HydrophobicContact CE1-CD2 3.95Å; Y148-L152 HydrophobicContact CE2-CD2 4.09Å; Y149-L152 HydrophobicContact CD1-CD1 4.33Å; L152-I155 HydrophobicContact CD2-CD1 4.38Å; L152-I155 PolarHBondContact O-N 2.86Å; L152-A156 WeakPolarHBondContact O-CB 3.39Å; L152-A156 PolarHBondContact O-N 2.88Å
153E76.3Confident68.3Low67 Ų6778.5 Ų78.531%0.31342%0.423SS..Hα-helixtrans-60.8-45.3173.1-162.7-167.6-111.300112.1H107 K109 N151 A157H107-E153 WeakPolarHBondContact O-CB 3.49Å; K109-E153 WeakPolarHBondContact CE-OE2 3.22Å; K109-E153 IonicContact NZ-OE1 2.85Å; K109-E153 PolarHBondContact NZ-OE1 3.37Å; K109-E153 IonicContact NZ-OE2 3.24Å; K109-E153 PolarHBondContact NZ-OE2 3.02Å; N151-E153 PolarHBondContact O-N 2.86Å; E153-A157 WeakPolarHBondContact O-CB 3.46Å; E153-A157 PolarHBondContact O-N 3.3Å
154E75.5Confident66.8Low144 Ų14481.6 Ų81.667%0.67344%0.443SS*.Hα-helixtrans-73.7-35.6179.1-69.3-166.8150.600111.7N151 A157 A158N151-E154 PolarHBondContact O-N 3.12Å; E154-A157 PolarHBondContact O-N 3.44Å; E154-A158 PolarHBondContact O-N 3.22Å
155I75.2Confident65.5Low61 Ų6181.3 Ų81.331%0.31344%0.441SS..Hα-helixtrans-63.9-45.4174-59.4166.4000110I34 Y148 N151 L152 A157 A158 M159I34-I155 HydrophobicContact CD1-CB 4.21Å; I34-I155 HydrophobicContact CD1-CG2 3.76Å; Y148-I155 HydrophobicContact CD2-CD1 4.15Å; Y148-I155 HydrophobicContact CE2-CD1 4.1Å; N151-I155 WeakPolarHBondContact O-CG1 3.28Å; N151-I155 PolarHBondContact O-N 3.39Å; L152-I155 HydrophobicContact CD2-CD1 4.38Å; L152-I155 PolarHBondContact O-N 2.86Å; I155-A157 PolarHBondContact O-N 3.38Å; I155-A158 PolarHBondContact O-N 3.35Å; I155-M159 WeakPolarHBondContact O-CG 3.48Å; I155-M159 PolarHBondContact O-N 3.2Å; I155-M159 VanDerWaalsContact O-N 3.07Å
156A72.5Confident64.1Low34 Ų3477.8 Ų77.828%0.28143%0.43SS..Hα-helixtrans-62.8-40.5176.600000112.4I34 L152 A158 M159I34-A156 HydrophobicContact CD1-CB 3.94Å; I34-A156 HydrophobicContact CG1-CB 4.39Å; I34-A156 HydrophobicContact CG2-CB 4.01Å; L152-A156 WeakPolarHBondContact O-CB 3.39Å; L152-A156 PolarHBondContact O-N 2.88Å; A156-A158 VanDerWaalsContact C-N 3.3Å; A156-A158 PolarHBondContact O-N 2.93Å; A156-M159 PolarHBondContact O-N 3.26Å
157A67.4Low62.7Low65 Ų6582.1 Ų82.154%0.53745%0.448SS..Hα-helixtrans-65.4-31174.800000113.1E153 E154 I155E153-A157 WeakPolarHBondContact O-CB 3.46Å; E153-A157 PolarHBondContact O-N 3.3Å; E154-A157 PolarHBondContact O-N 3.44Å; I155-A157 PolarHBondContact O-N 3.38Å
158A60.7Low60.9Low70 Ų7077.2 Ų77.258%0.57943%0.428SS*.Hα-helixtrans-74.2-29.3173.900000113E154 I155 A156 N160E154-A158 PolarHBondContact O-N 3.22Å; I155-A158 PolarHBondContact O-N 3.35Å; A156-A158 VanDerWaalsContact C-N 3.3Å; A156-A158 PolarHBondContact O-N 2.93Å; A158-N160 VanDerWaalsContact C-N 3.3Å; A158-N160 PolarHBondContact O-N 3.03Å; A158-N160 PolarHBondContact O-ND2 2.74Å
159M61.4Low59Low74 Ų7478.1 Ų78.137%0.36544%0.438SS..  trans-74.776.7177.9-69.8-170.878.700112I34 I155 A156 K161 L162I34-M159 HydrophobicContact CD1-SD 3.82Å; I155-M159 WeakPolarHBondContact O-CG 3.48Å; I155-M159 PolarHBondContact O-N 3.2Å; I155-M159 VanDerWaalsContact O-N 3.07Å; A156-M159 PolarHBondContact O-N 3.26Å; M159-K161 PolarHBondContact O-N 3.04Å; M159-L162 HydrophobicContact CB-CD1 4.31Å; M159-L162 HydrophobicContact CB-CG 4.26Å; M159-L162 HydrophobicContact CE-CD2 3.69Å; M159-L162 HydrophobicContact CE-CG 4.15Å; M159-L162 HydrophobicContact SD-CD1 4.28Å; M159-L162 HydrophobicContact SD-CD2 4.31Å; M159-L162 HydrophobicContact SD-CG 4.41Å
160N47.4Very low57.2Low154 Ų15480.4 Ų80.482%0.82445%0.447SS*.SBendtrans-52.10.2-175.9-95.7-83.1000118.2A158A158-N160 VanDerWaalsContact C-N 3.3Å; A158-N160 PolarHBondContact O-N 3.03Å; A158-N160 PolarHBondContact O-ND2 2.74Å
161K45.9Very low55.5Low198 Ų19880.4 Ų80.486%0.86145%0.449SS*.  trans-169.197.5167.3-101.9147.9-175.3174.70109M159M159-K161 PolarHBondContact O-N 3.04Å
162L41.7Very low53.8Low38 Ų3882.8 Ų82.820%0.19946%0.458CS..  trans-85.9143.9153.6-79.7161.8000108.6I34 M159I34-L162 HydrophobicContact CB-CD1 4.3Å; I34-L162 HydrophobicContact CG2-CD1 3.57Å; M159-L162 HydrophobicContact CB-CD1 4.31Å; M159-L162 HydrophobicContact CB-CG 4.26Å; M159-L162 HydrophobicContact CE-CD2 3.69Å; M159-L162 HydrophobicContact CE-CG 4.15Å; M159-L162 HydrophobicContact SD-CD1 4.28Å; M159-L162 HydrophobicContact SD-CD2 4.31Å; M159-L162 HydrophobicContact SD-CG 4.41Å
163P38.4Very low51.7Low90 Ų9088 Ų8858%0.58448%0.484SS*.  trans-59.2147.8171.3-21.633.5000111.2S165P163-S165 PolarHBondContact O-N 2.78Å
164D43.1Very low50.4Low153 Ų15388 Ų8882%0.81848%0.483SS*.  trans-64.1102.6168.9-169.319.8000107.9G166D164-G166 PolarHBondContact O-N 3.46Å; D164-G166 VanDerWaalsContact O-N 3.16Å
165S43Very low49.6Very low28 Ų2886 Ų8620%0.19647%0.474CS..  trans-60.2120.1-171570000110.1P163 K167P163-S165 PolarHBondContact O-N 2.78Å; S165-K167 PolarHBondContact O-N 3.3Å
166G38.9Very low48.7Very low57 Ų5786.7 Ų86.759%0.58848%0.476SS*.  trans-54.2114.6-168.700000111.4D164 P168D164-G166 PolarHBondContact O-N 3.46Å; D164-G166 VanDerWaalsContact O-N 3.16Å; G166-P168 WeakPolarHBondContact O-CD 3.35Å; G166-P168 VanDerWaalsContact O-N 3.12Å
167K44.3Very low48Very low153 Ų15389.8 Ų89.867%0.66549%0.488SS*.  trans-46.8117.5-172.3-68.4-174.7176.5-175.50111S165 N169S165-K167 PolarHBondContact O-N 3.3Å; K167-N169 PolarHBondContact O-N 3.44Å; K167-N169 VanDerWaalsContact O-N 3.17Å
168P39.2Very low48.2Very low34 Ų3489.9 Ų89.922%0.22148%0.476CS..  trans-61.9122.5-177.1-21.731.8000110.2G166 Y170G166-P168 WeakPolarHBondContact O-CD 3.35Å; G166-P168 VanDerWaalsContact O-N 3.12Å; P168-Y170 HydrophobicContact CB-CD1 4.48Å; P168-Y170 HydrophobicContact CB-CD2 4.24Å; P168-Y170 HydrophobicContact CB-CE1 3.94Å; P168-Y170 HydrophobicContact CB-CE2 3.68Å; P168-Y170 VanDerWaalsContact CB-CZ 3.49Å; P168-Y170 HydrophobicContact CG-CE2 4.2Å; P168-Y170 WeakPolarHBondContact O-CD2 3.28Å; P168-Y170 PolarHBondContact O-N 2.9Å
169N43.3Very low49Very low87 Ų8790.8 Ų90.847%0.46547%0.468SS..  trans-86.262-171.1-164.1-2.9000111.7K167 T171 Q172K167-N169 PolarHBondContact O-N 3.44Å; K167-N169 VanDerWaalsContact O-N 3.17Å; N169-T171 PolarHBondContact O-N 2.64Å; N169-T171 PolarHBondContact OD1-OG1 3.45Å; N169-Q172 HydrophobicContact CB-CG 4.48Å; N169-Q172 VanDerWaalsContact ND2-CD 3.35Å; N169-Q172 WeakPolarHBondContact ND2-CG 3.22Å; N169-Q172 PolarHBondContact ND2-NE2 2.72Å; N169-Q172 PolarHBondContact O-N 3.12Å; N169-Q172 VanDerWaalsContact O-N 3.17Å
170Y44.9Very low49.6Very low50 Ų5091.8 Ų91.820%0.19647%0.471CS..THydrogen-bonded Turntrans-53.1-14-178.3-60.9-63.7000114.9V19 V44 A45 H48 P168V19-Y170 WeakPolarHBondContact O-CE1 3.47Å; V44-Y170 HydrophobicContact CB-CE2 4.21Å; V44-Y170 HydrophobicContact CG1-CD2 3.7Å; V44-Y170 HydrophobicContact CG1-CE2 3.59Å; A45-Y170 WeakPolarHBondContact CA-OH 3.12Å; A45-Y170 WeakPolarHBondContact CB-OH 3.47Å; H48-Y170 AromaticContact CD2-CG 3.99Å; P168-Y170 HydrophobicContact CB-CD1 4.48Å; P168-Y170 HydrophobicContact CB-CD2 4.24Å; P168-Y170 HydrophobicContact CB-CE1 3.94Å; P168-Y170 HydrophobicContact CB-CE2 3.68Å; P168-Y170 VanDerWaalsContact CB-CZ 3.49Å; P168-Y170 HydrophobicContact CG-CE2 4.2Å; P168-Y170 WeakPolarHBondContact O-CD2 3.28Å; P168-Y170 PolarHBondContact O-N 2.9Å
171T44.9Very low51.4Low61 Ų6185.1 Ų85.137%0.37444%0.435SS..THydrogen-bonded Turntrans-70.6-37178.2-10000113.8N169 M173N169-T171 PolarHBondContact O-N 2.64Å; N169-T171 PolarHBondContact OD1-OG1 3.45Å; T171-M173 PolarHBondContact O-N 2.87Å
172Q44Very low53.3Low121 Ų12176 Ų7657%0.56540%0.395SS*.Hα-helixtrans-64.3-35-162.4-75.4-175.5-33.300115N169 E174 E175 E176N169-Q172 HydrophobicContact CB-CG 4.48Å; N169-Q172 VanDerWaalsContact ND2-CD 3.35Å; N169-Q172 WeakPolarHBondContact ND2-CG 3.22Å; N169-Q172 PolarHBondContact ND2-NE2 2.72Å; N169-Q172 PolarHBondContact O-N 3.12Å; N169-Q172 VanDerWaalsContact O-N 3.17Å; Q172-E174 PolarHBondContact O-N 3.23Å; Q172-E175 PolarHBondContact O-N 3.25Å; Q172-E176 PolarHBondContact O-N 3.4Å
173M37.6Very low55.3Low110 Ų11076.6 Ų76.654%0.54240%0.398SS..Hα-helixtrans-76.2-26.6-170.2-148.6170.38300113.5Q18 T171Q18-M173 PolarHBondContact OE1-SD 2.87Å; Q18-M173 VanDerWaalsContact OE1-SD 3.34Å; T171-M173 PolarHBondContact O-N 2.87Å
174E49.1Very low57.5Low65 Ų6575.5 Ų75.530%0.30439%0.39SS..Hα-helixtrans-77.2-36.1171.7-76.9-179.4-158.800112.7R61 Q172 E176 N177 K178R61-E174 IonicContact CZ-OE1 3.6Å; R61-E174 IonicContact CZ-OE2 2.99Å; R61-E174 IonicContact NE-OE1 2.7Å; R61-E174 PolarHBondContact NE-OE1 2.89Å; R61-E174 IonicContact NH1-OE1 3.25Å; R61-E174 PolarHBondContact NH1-OE1 3.34Å; R61-E174 IonicContact NH1-OE2 2.69Å; R61-E174 PolarHBondContact NH1-OE2 2.79Å; R61-E174 IonicContact NH2-OE1 3.76Å; R61-E174 PolarHBondContact NH2-OE1 2.9Å; Q172-E174 PolarHBondContact O-N 3.23Å; E174-E176 VanDerWaalsContact C-N 3.28Å; E174-E176 PolarHBondContact O-N 3.35Å; E174-N177 PolarHBondContact O-N 2.89Å; E174-K178 HydrophobicContact CB-CD 4.37Å; E174-K178 WeakPolarHBondContact O-CG 3.15Å; E174-K178 PolarHBondContact O-N 2.88Å; E174-K178 IonicContact OE2-NZ 3.18Å; E174-K178 PolarHBondContact OE2-NZ 3.37Å
175E59.5Low59.4Low104 Ų10468.2 Ų68.249%0.48635%0.351SS..Hα-helixtrans-61.2-38.8-177.8-71.4177.5161.500111Q172 N177 K178 E179Q172-E175 PolarHBondContact O-N 3.25Å; E175-N177 VanDerWaalsContact C-N 3.26Å; E175-N177 PolarHBondContact O-N 3.24Å; E175-K178 PolarHBondContact O-N 2.66Å; E175-E179 WeakPolarHBondContact O-CB 3.48Å; E175-E179 PolarHBondContact O-N 2.91Å
176E55Low61.4Low74 Ų7466.9 Ų66.935%0.34634%0.342SS..Hα-helixtrans-58.1-33.3173.6-74-155.3-175.100113.9Q172 E174 K180 R850Q172-E176 PolarHBondContact O-N 3.4Å; E174-E176 VanDerWaalsContact C-N 3.28Å; E174-E176 PolarHBondContact O-N 3.35Å; E176-K180 VanDerWaalsContact O-CD 3.22Å; E176-K180 WeakPolarHBondContact O-CD 3.47Å; E176-K180 WeakPolarHBondContact O-CE 3.48Å; E176-K180 WeakPolarHBondContact O-CG 3.39Å; E176-K180 PolarHBondContact O-N 2.99Å; E176-K180 PolarHBondContact O-NZ 2.84Å; E176-K180 IonicContact OE2-NZ 2.71Å; E176-R850 IonicContact OE1-CZ 3.95Å; E176-R850 IonicContact OE1-NH1 2.75Å; E176-R850 PolarHBondContact OE1-NH1 2.89Å; E176-R850 IonicContact OE1-NH2 3.52Å; E176-R850 PolarHBondContact OE1-NH2 3.37Å; E176-R850 IonicContact OE2-CZ 3.65Å; E176-R850 IonicContact OE2-NH1 3.57Å; E176-R850 PolarHBondContact OE2-NH1 2.89Å; E176-R850 IonicContact OE2-NH2 2.91Å
177N58.2Low63.4Low100 Ų10068.7 Ų68.754%0.53533%0.332SS..Hα-helixtrans-84.2-36.8179.3-74-12.9000111.8E174 E175 E179 K180 L181E174-N177 PolarHBondContact O-N 2.89Å; E175-N177 VanDerWaalsContact C-N 3.26Å; E175-N177 PolarHBondContact O-N 3.24Å; N177-E179 VanDerWaalsContact C-N 3.29Å; N177-E179 PolarHBondContact O-N 3.45Å; N177-K180 PolarHBondContact O-N 3.37Å; N177-K180 PolarHBondContact OD1-NZ 3.43Å; N177-L181 PolarHBondContact O-N 3.25Å
178K70.7Confident65Low67 Ų6767.1 Ų67.129%0.29133%0.327SS..Hα-helixtrans-66-32175.2-67.7168.4175.8172.60111.7E174 E175 Y182 T338E174-K178 HydrophobicContact CB-CD 4.37Å; E174-K178 WeakPolarHBondContact O-CG 3.15Å; E174-K178 PolarHBondContact O-N 2.88Å; E174-K178 IonicContact OE2-NZ 3.18Å; E174-K178 PolarHBondContact OE2-NZ 3.37Å; E175-K178 PolarHBondContact O-N 2.66Å; K178-Y182 PolarHBondContact O-N 2.95Å; K178-T338 HydrophobicContact CB-CG2 4.34Å; K178-T338 HydrophobicContact CD-CG2 4.04Å; K178-T338 HydrophobicContact CG-CG2 4.01Å
179E77.4Confident66.5Low88 Ų8865.8 Ų65.841%0.41132%0.319SS..Hα-helixtrans-70.3-45.5172.7-174.9156-112.800112.5E175 N177 L181 Y182 D183 K346E175-E179 WeakPolarHBondContact O-CB 3.48Å; E175-E179 PolarHBondContact O-N 2.91Å; N177-E179 VanDerWaalsContact C-N 3.29Å; N177-E179 PolarHBondContact O-N 3.45Å; E179-L181 PolarHBondContact O-N 2.93Å; E179-Y182 PolarHBondContact O-N 3.3Å; E179-Y182 VanDerWaalsContact O-N 3.1Å; E179-D183 PolarHBondContact O-N 3.44Å; E179-K346 IonicContact OE1-NZ 3.78Å; E179-K346 PolarHBondContact OE1-NZ 2.94Å
180K75.8Confident67.4Low96 Ų9664.1 Ų64.142%0.41731%0.314SS..Hα-helixtrans-56.7-36.8176.6-69.2159.5-157.3154.50112.8E176 N177 T184E176-K180 VanDerWaalsContact O-CD 3.22Å; E176-K180 WeakPolarHBondContact O-CD 3.47Å; E176-K180 WeakPolarHBondContact O-CE 3.48Å; E176-K180 WeakPolarHBondContact O-CG 3.39Å; E176-K180 PolarHBondContact O-N 2.99Å; E176-K180 PolarHBondContact O-NZ 2.84Å; E176-K180 IonicContact OE2-NZ 2.71Å; N177-K180 PolarHBondContact O-N 3.37Å; N177-K180 PolarHBondContact OD1-NZ 3.43Å; K180-T184 WeakPolarHBondContact O-CB 3.38Å; K180-T184 PolarHBondContact O-N 2.8Å; K180-T184 PolarHBondContact O-OG1 3.06Å
181L83.5Confident67.8Low13 Ų1368.3 Ų68.37%0.06833%0.334CS..Hα-helixtrans-62.1-54.1173.5172.567.2000111.2N177 E179 D183 T184 V185 F331 E335 I339N177-L181 PolarHBondContact O-N 3.25Å; E179-L181 PolarHBondContact O-N 2.93Å; L181-D183 VanDerWaalsContact C-N 3.32Å; L181-D183 PolarHBondContact O-N 2.9Å; L181-T184 PolarHBondContact O-N 2.96Å; L181-V185 HydrophobicContact CD1-CG2 3.98Å; L181-V185 WeakPolarHBondContact O-CB 3.23Å; L181-V185 WeakPolarHBondContact O-CG2 3.43Å; L181-V185 PolarHBondContact O-N 2.7Å; L181-F331 HydrophobicContact CD1-CB 4.15Å; L181-F331 HydrophobicContact CD1-CD1 3.39Å; L181-F331 HydrophobicContact CD1-CD2 3.81Å; L181-F331 HydrophobicContact CD1-CE1 3.58Å; L181-F331 HydrophobicContact CD1-CE2 3.99Å; L181-F331 HydrophobicContact CD1-CG 3.5Å; L181-F331 VanDerWaalsContact CD1-CG 3.5Å; L181-F331 HydrophobicContact CD1-CZ 3.88Å; L181-E335 HydrophobicContact CD2-CB 4.08Å; L181-E335 WeakPolarHBondContact CD2-O 3.28Å; L181-I339 HydrophobicContact CD1-CD1 4.28Å; L181-I339 HydrophobicContact CD2-CD1 4.31Å; L181-I339 HydrophobicContact CD2-CG1 3.83Å; L181-I339 HydrophobicContact CG-CD1 4.12Å; L181-I339 HydrophobicContact CG-CG1 3.97Å
182Y86.9Confident67.9Low8 Ų868.7 Ų68.73%0.03134%0.338CS..Hα-helixtrans-58.4-43.8178.5174.4-88.9000111.7K178 E179 T184 V185 V186 Y187 I339 Q342 R343 K346K178-Y182 PolarHBondContact O-N 2.95Å; E179-Y182 PolarHBondContact O-N 3.3Å; E179-Y182 VanDerWaalsContact O-N 3.1Å; Y182-T184 VanDerWaalsContact C-N 3.33Å; Y182-T184 PolarHBondContact O-N 3.48Å; Y182-V185 PolarHBondContact O-N 3.08Å; Y182-V186 HydrophobicContact CD2-CB 3.99Å; Y182-V186 HydrophobicContact CD2-CG2 3.84Å; Y182-V186 HydrophobicContact CE1-CB 4.42Å; Y182-V186 HydrophobicContact CE2-CB 3.68Å; Y182-V186 HydrophobicContact CE2-CG1 3.74Å; Y182-V186 HydrophobicContact CE2-CG2 3.8Å; Y182-V186 HydrophobicContact CG-CB 4.48Å; Y182-V186 WeakPolarHBondContact O-CA 3.5Å; Y182-V186 WeakPolarHBondContact O-CB 3.33Å; Y182-V186 PolarHBondContact O-N 3.28Å; Y182-Y187 PolarHBondContact O-N 3.3Å; Y182-I339 HydrophobicContact CD2-CG2 4.27Å; Y182-Q342 HydrophobicContact CD2-CB 3.56Å; Y182-Q342 HydrophobicContact CE2-CB 4.43Å; Y182-Q342 HydrophobicContact CG-CB 3.78Å; Y182-R343 HydrophobicContact CE2-CB 3.91Å; Y182-R343 WeakPolarHBondContact OH-CD 2.93Å; Y182-R343 PolarHBondContact OH-NH1 2.85Å; Y182-K346 HydrophobicContact CD1-CG 4.41Å; Y182-K346 HydrophobicContact CE1-CD 4.36Å; Y182-K346 HydrophobicContact CE1-CG 3.65Å; Y182-K346 HydrophobicContact CE2-CG 4.41Å
183D84.4Confident67.8Low49 Ų4974.3 Ų74.326%0.26236%0.355SS..Iπ-helixtrans-62.6-40.2178.1-811.8000112E179 L181 Y187 Q188E179-D183 PolarHBondContact O-N 3.44Å; L181-D183 VanDerWaalsContact C-N 3.32Å; L181-D183 PolarHBondContact O-N 2.9Å; D183-Y187 WeakPolarHBondContact O-CB 3.41Å; D183-Y187 PolarHBondContact O-N 2.92Å; D183-Q188 VanDerWaalsContact O-CB 3.29Å; D183-Q188 WeakPolarHBondContact O-CB 3.39Å; D183-Q188 VanDerWaalsContact O-CG 3.28Å; D183-Q188 WeakPolarHBondContact O-CG 3.38Å; D183-Q188 PolarHBondContact O-N 3.21Å
184T83.9Confident68Low67 Ų6776.1 Ų76.141%0.41137%0.366SS..Iπ-helixtrans-70.4-40.9179-55.10000111.9K180 L181 Y182 F331K180-T184 WeakPolarHBondContact O-CB 3.38Å; K180-T184 PolarHBondContact O-N 2.8Å; K180-T184 PolarHBondContact O-OG1 3.06Å; L181-T184 PolarHBondContact O-N 2.96Å; Y182-T184 VanDerWaalsContact C-N 3.33Å; Y182-T184 PolarHBondContact O-N 3.48Å; T184-F331 HydrophobicContact CG2-CE2 4.16Å; T184-F331 HydrophobicContact CG2-CZ 3.87Å
185V82.6Confident67.6Low0 Ų079.3 Ų79.30%039%0.385CS..Iπ-helixtrans-88-43.2-171.4173.60000112.8L181 Y182 G189 V221 Y328 F331 I339L181-V185 HydrophobicContact CD1-CG2 3.98Å; L181-V185 WeakPolarHBondContact O-CB 3.23Å; L181-V185 WeakPolarHBondContact O-CG2 3.43Å; L181-V185 PolarHBondContact O-N 2.7Å; Y182-V185 PolarHBondContact O-N 3.08Å; V185-G189 VanDerWaalsContact O-CA 3.29Å; V185-G189 WeakPolarHBondContact O-CA 3.33Å; V185-V221 HydrophobicContact CG1-CG1 4.42Å; V185-V221 HydrophobicContact CG1-CG2 3.39Å; V185-Y328 HydrophobicContact CB-CD1 4.49Å; V185-Y328 HydrophobicContact CB-CE1 4.3Å; V185-Y328 HydrophobicContact CG1-CD1 4.05Å; V185-Y328 HydrophobicContact CG1-CE1 3.72Å; V185-Y328 HydrophobicContact CG2-CD1 4.01Å; V185-Y328 HydrophobicContact CG2-CE1 4.31Å; V185-F331 HydrophobicContact CG2-CD2 3.77Å; V185-F331 HydrophobicContact CG2-CE2 3.45Å; V185-F331 VanDerWaalsContact CG2-CE2 3.45Å; V185-F331 HydrophobicContact CG2-CZ 4.27Å; V185-I339 HydrophobicContact CB-CD1 3.94Å; V185-I339 HydrophobicContact CG1-CD1 3.69Å; V185-I339 HydrophobicContact CG2-CD1 4.06Å
186V85.4Confident67Low0 Ų082.1 Ų82.10%040%0.402CS..Iπ-helixtrans-102.9-45.4-171.1-175.80000112.2Y182 T214 N217 Y218 I339Y182-V186 HydrophobicContact CD2-CB 3.99Å; Y182-V186 HydrophobicContact CD2-CG2 3.84Å; Y182-V186 HydrophobicContact CE1-CB 4.42Å; Y182-V186 HydrophobicContact CE2-CB 3.68Å; Y182-V186 HydrophobicContact CE2-CG1 3.74Å; Y182-V186 HydrophobicContact CE2-CG2 3.8Å; Y182-V186 HydrophobicContact CG-CB 4.48Å; Y182-V186 WeakPolarHBondContact O-CA 3.5Å; Y182-V186 WeakPolarHBondContact O-CB 3.33Å; Y182-V186 PolarHBondContact O-N 3.28Å; V186-T214 VanDerWaalsContact CG1-O 3.28Å; V186-T214 WeakPolarHBondContact CG1-O 3.34Å; V186-N217 HydrophobicContact CG1-CB 4.42Å; V186-N217 WeakPolarHBondContact O-CB 3.47Å; V186-N217 PolarHBondContact O-ND2 3.01Å; V186-Y218 HydrophobicContact CG2-CD2 4.5Å; V186-I339 HydrophobicContact CG2-CG2 3.64Å
187Y81.2Confident66.5Low96 Ų9685.1 Ų85.138%0.37642%0.421SS..Iπ-helixtrans-80.1-40.9-178.5-174.1-97.5000113.2Y182 D183 K191 E210 T214Y182-Y187 PolarHBondContact O-N 3.3Å; D183-Y187 WeakPolarHBondContact O-CB 3.41Å; D183-Y187 PolarHBondContact O-N 2.92Å; Y187-K191 WeakPolarHBondContact O-CE 2.84Å; Y187-E210 HydrophobicContact CE2-CG 4.13Å; Y187-T214 HydrophobicContact CD2-CG2 4.19Å
188Q78.6Confident66.4Low120 Ų12085.5 Ų85.556%0.56143%0.431SS*.SBendtrans-92.62172.8-62176.355.700112.8D183D183-Q188 VanDerWaalsContact O-CB 3.29Å; D183-Q188 WeakPolarHBondContact O-CB 3.39Å; D183-Q188 VanDerWaalsContact O-CG 3.28Å; D183-Q188 WeakPolarHBondContact O-CG 3.38Å; D183-Q188 PolarHBondContact O-N 3.21Å
189G70.8Confident65.9Low6 Ų688.5 Ų88.56%0.06245%0.446CS..SBendtrans-53.5166.5169.400000112.6V185 K191 N217V185-G189 VanDerWaalsContact O-CA 3.29Å; V185-G189 WeakPolarHBondContact O-CA 3.33Å; G189-K191 WeakPolarHBondContact O-CG 3.49Å; G189-K191 PolarHBondContact O-N 2.89Å; G189-N217 WeakPolarHBondContact CA-ND2 3.29Å; G189-N217 PolarHBondContact O-ND2 2.67Å
190S60.2Low65.3Low52 Ų5285.3 Ų85.336%0.36443%0.433SS..  trans-53.783.5-157.4-60.60000116.5S192 N217 K327S190-S192 PolarHBondContact O-N 3.23Å; S190-S192 PolarHBondContact O-OG 2.74Å; S190-N217 PolarHBondContact N-OD1 2.92Å; S190-K327 WeakPolarHBondContact OG-CE 3.35Å; S190-K327 PolarHBondContact OG-NZ 3.32Å
191K55Low65.3Low138 Ų13887.3 Ų87.360%0.645%0.454SS*.  trans-58.495.8171.9-61.2-167.5179.1-171.10109.4Y187 G189 R193Y187-K191 WeakPolarHBondContact O-CE 2.84Å; G189-K191 WeakPolarHBondContact O-CG 3.49Å; G189-K191 PolarHBondContact O-N 2.89Å; K191-R193 PolarHBondContact O-N 3.44Å
192S46.3Very low65.5Low68 Ų6890.2 Ų90.248%0.47647%0.472SS..  trans-70.7101.3-171-69.90000110S190 L194S190-S192 PolarHBondContact O-N 3.23Å; S190-S192 PolarHBondContact O-OG 2.74Å; S192-L194 PolarHBondContact O-N 3.16Å
193R43Very low65.6Low239 Ų23992.6 Ų92.690%0.90249%0.493SS*.THydrogen-bonded Turntrans-67.227.9174.5-64.4-177.6169.8-173.6-3.5113.6K191K191-R193 PolarHBondContact O-N 3.44Å
194L39.9Very low65.9Low148 Ų14892.2 Ų92.278%0.77549%0.488SS*.THydrogen-bonded Turntrans-121.3-8.4-163.4-66.1177.9000114.6S192S192-L194 PolarHBondContact O-N 3.16Å
195N42.4Very low66.2Low132 Ų13290.6 Ų90.671%0.70648%0.482SS*.  trans-105.499163.2-75.620.7000108.7D197N195-D197 VanDerWaalsContact C-N 3.28Å
196L45.1Very low66.6Low163 Ų16395.4 Ų95.485%0.85350%0.501SS*.  trans-83.7-6.8167.6-97.6135.2000112.2S198L196-S198 PolarHBondContact O-N 2.97Å
197D45Very low66.9Low138 Ų13895.6 Ų95.674%0.73850%0.502SS*.SBendtrans-72.198.7179.3-59.2-45.6000110.4N195N195-D197 VanDerWaalsContact C-N 3.28Å
198S56.4Low67.5Low108 Ų10892.8 Ų92.876%0.75549%0.493SS*.  trans52.1101.8-176.8560000116.3L196L196-S198 PolarHBondContact O-N 2.97Å
199E61.1Low68.1Low130 Ų13091.2 Ų91.261%0.60748%0.482SS*.  trans-63132160.9-164.8171.3-159.900109.7T201 Y206E199-T201 PolarHBondContact O-N 3.17Å; E199-T201 VanDerWaalsContact O-N 3.14Å; E199-Y206 VanDerWaalsContact CD-OH 3.25Å; E199-Y206 WeakPolarHBondContact CG-OH 3.49Å; E199-Y206 PolarHBondContact OE1-OH 3.45Å
200P64.7Low69.1Low20 Ų2093.9 Ų93.913%0.1349%0.493CS..  trans-60118-174.820.9-33.5000111.8T202 A205 Y206 R209P200-T202 PolarHBondContact O-N 3.04Å; P200-A205 HydrophobicContact CB-CB 3.47Å; P200-A205 VanDerWaalsContact CB-CB 3.47Å; P200-Y206 HydrophobicContact CB-CD2 4.24Å; P200-Y206 HydrophobicContact CB-CG 4.44Å; P200-Y206 HydrophobicContact CG-CD1 3.87Å; P200-Y206 HydrophobicContact CG-CD2 3.93Å; P200-Y206 HydrophobicContact CG-CE1 3.96Å; P200-Y206 HydrophobicContact CG-CE2 4.03Å; P200-Y206 HydrophobicContact CG-CG 3.84Å; P200-Y206 WeakPolarHBondContact O-CD2 3.13Å; P200-Y206 WeakPolarHBondContact O-CE2 3.47Å; P200-R209 VanDerWaalsContact CD-NH2 3.34Å
201T74.7Confident70.8Confident139 Ų13991.5 Ų91.585%0.85348%0.476SS*.SBendtrans-77.2-1-172.853.20000114.8E199E199-T201 PolarHBondContact O-N 3.17Å; E199-T201 VanDerWaalsContact O-N 3.14Å
202T87.4Confident72.7Confident73 Ų7386 Ų8645%0.44845%0.454SS..SBendtrans-139.1150.4-177.467.20000111.8P200 R204 A205 Y206P200-T202 PolarHBondContact O-N 3.04Å; T202-R204 PolarHBondContact O-N 2.87Å; T202-A205 PolarHBondContact O-N 3.05Å; T202-A205 WeakPolarHBondContact OG1-CB 3.4Å; T202-A205 PolarHBondContact OG1-N 3.35Å; T202-Y206 WeakPolarHBondContact O-CD2 3.47Å; T202-Y206 PolarHBondContact O-N 3.42Å
203A89.5Confident75Confident58 Ų5885.9 Ų85.948%0.47945%0.448SS..Hα-helixtrans-56.1-37.3175.700000112.6A205 Y206 C207 L357A203-A205 PolarHBondContact O-N 2.95Å; A203-Y206 PolarHBondContact O-N 2.78Å; A203-C207 PolarHBondContact O-N 3.17Å; A203-L357 HydrophobicContact CB-CD1 4.25Å; A203-L357 HydrophobicContact CB-CD2 3.91Å
204R91.8Very high77.5Confident42 Ų4274.8 Ų74.816%0.15841%0.406CS..Hα-helixtrans-59.1-45.7174-169.7-176.8-178.6-131.5-6.5111.6T202 C207 I208 L354 L357 T358 H362 D364T202-R204 PolarHBondContact O-N 2.87Å; R204-C207 PolarHBondContact O-N 2.87Å; R204-I208 HydrophobicContact CG-CD1 4.28Å; R204-I208 WeakPolarHBondContact O-CG1 3.43Å; R204-I208 PolarHBondContact O-N 2.99Å; R204-L354 HydrophobicContact CG-CD1 3.69Å; R204-L357 HydrophobicContact CB-CB 4.34Å; R204-T358 PolarHBondContact NE-OG1 2.93Å; R204-H362 PolarHBondContact NH1-CE1 2.84Å; R204-H362 PolarHBondContact NH1-NE2 2.85Å; R204-D364 IonicContact CZ-OD2 2.99Å; R204-D364 IonicContact NH1-OD2 2.63Å; R204-D364 IonicContact NH2-OD2 2.91Å; R204-D364 PolarHBondContact NH2-OD2 3.15Å
205A89.4Confident80.2Confident33 Ų3367.7 Ų67.727%0.27337%0.37SS..Hα-helixtrans-69.5-32.7177.900000112.9P200 T202 A203 R209P200-A205 HydrophobicContact CB-CB 3.47Å; P200-A205 VanDerWaalsContact CB-CB 3.47Å; T202-A205 PolarHBondContact O-N 3.05Å; T202-A205 WeakPolarHBondContact OG1-CB 3.4Å; T202-A205 PolarHBondContact OG1-N 3.35Å; A203-A205 PolarHBondContact O-N 2.95Å; A205-R209 WeakPolarHBondContact O-CB 3.16Å; A205-R209 PolarHBondContact O-N 2.67Å
206Y90.7Very high82.8Confident101 Ų10166 Ų6640%0.39636%0.356SS..Hα-helixtrans-60.8-45.9168.1-87.1-82.6000111.8E199 P200 T202 A203 R209 E210E199-Y206 VanDerWaalsContact CD-OH 3.25Å; E199-Y206 WeakPolarHBondContact CG-OH 3.49Å; E199-Y206 PolarHBondContact OE1-OH 3.45Å; P200-Y206 HydrophobicContact CB-CD2 4.24Å; P200-Y206 HydrophobicContact CB-CG 4.44Å; P200-Y206 HydrophobicContact CG-CD1 3.87Å; P200-Y206 HydrophobicContact CG-CD2 3.93Å; P200-Y206 HydrophobicContact CG-CE1 3.96Å; P200-Y206 HydrophobicContact CG-CE2 4.03Å; P200-Y206 HydrophobicContact CG-CG 3.84Å; P200-Y206 WeakPolarHBondContact O-CD2 3.13Å; P200-Y206 WeakPolarHBondContact O-CE2 3.47Å; T202-Y206 WeakPolarHBondContact O-CD2 3.47Å; T202-Y206 PolarHBondContact O-N 3.42Å; A203-Y206 PolarHBondContact O-N 2.78Å; Y206-R209 VanDerWaalsContact CE1-NH2 3.3Å; Y206-R209 PolarHBondContact O-N 3.44Å; Y206-E210 WeakPolarHBondContact O-CB 3.07Å; Y206-E210 PolarHBondContact O-N 3.38Å
207C92.8Very high85.1Confident3 Ų358.8 Ų58.82%0.0232%0.318CS..Hα-helixtrans-64.6-39.6178.7-178.30000112.6A203 R204 E210 I211 L354 L357A203-C207 PolarHBondContact O-N 3.17Å; R204-C207 PolarHBondContact O-N 2.87Å; C207-E210 WeakPolarHBondContact O-CB 3.36Å; C207-E210 PolarHBondContact O-N 3.28Å; C207-I211 WeakPolarHBondContact O-CG1 3.32Å; C207-I211 PolarHBondContact O-N 3.4Å; C207-L354 HydrophobicContact CB-CD1 4.34Å; C207-L357 HydrophobicContact CB-CD1 3.77Å
208I92.9Very high87.5Confident38 Ų3852.2 Ų52.220%0.19528%0.283CS..Hα-helixtrans-63.4-44173.1-67.2169000110.9R204 E210 I211 V212 T267 L276 L354R204-I208 HydrophobicContact CG-CD1 4.28Å; R204-I208 WeakPolarHBondContact O-CG1 3.43Å; R204-I208 PolarHBondContact O-N 2.99Å; I208-E210 VanDerWaalsContact C-N 3.33Å; I208-E210 PolarHBondContact O-N 3.19Å; I208-I211 PolarHBondContact O-N 3.47Å; I208-V212 PolarHBondContact O-N 3.21Å; I208-T267 HydrophobicContact CG2-CG2 3.46Å; I208-T267 VanDerWaalsContact CG2-CG2 3.46Å; I208-L276 HydrophobicContact CG1-CD2 4.21Å; I208-L354 HydrophobicContact CD1-CD1 4.21Å; I208-L354 HydrophobicContact CG1-CD1 3.73Å; I208-L354 HydrophobicContact CG1-CD2 4.13Å
209R90.8Very high89.5Confident87 Ų8747.6 Ų47.633%0.32825%0.25SC..Hα-helixtrans-62.5-39.8175-177.9167.467.6172.50.8111.8P200 A205 Y206 I211 V212 D213P200-R209 VanDerWaalsContact CD-NH2 3.34Å; A205-R209 WeakPolarHBondContact O-CB 3.16Å; A205-R209 PolarHBondContact O-N 2.67Å; Y206-R209 VanDerWaalsContact CE1-NH2 3.3Å; Y206-R209 PolarHBondContact O-N 3.44Å; R209-I211 PolarHBondContact O-N 2.73Å; R209-V212 PolarHBondContact O-N 3.03Å; R209-D213 WeakPolarHBondContact CG-OD2 3.38Å; R209-D213 WeakPolarHBondContact O-CB 3.41Å; R209-D213 PolarHBondContact O-N 3.02Å
210E93.1Very high91Very high62 Ų6244.5 Ų44.529%0.2924%0.238SC..Hα-helixtrans-59.4-43.3175.5-175.1-179135.900112.1Y187 Y206 C207 I208 V212 T214 L350Y187-E210 HydrophobicContact CE2-CG 4.13Å; Y206-E210 WeakPolarHBondContact O-CB 3.07Å; Y206-E210 PolarHBondContact O-N 3.38Å; C207-E210 WeakPolarHBondContact O-CB 3.36Å; C207-E210 PolarHBondContact O-N 3.28Å; I208-E210 VanDerWaalsContact C-N 3.33Å; I208-E210 PolarHBondContact O-N 3.19Å; E210-V212 VanDerWaalsContact C-N 3.35Å; E210-V212 PolarHBondContact O-N 3.11Å; E210-T214 HydrophobicContact CG-CG2 4.19Å; E210-T214 VanDerWaalsContact O-CB 3.28Å; E210-T214 WeakPolarHBondContact O-CB 3.33Å; E210-T214 VanDerWaalsContact O-CG2 3.26Å; E210-T214 WeakPolarHBondContact O-CG2 3.49Å; E210-T214 PolarHBondContact O-N 3.44Å; E210-T214 PolarHBondContact O-OG1 3.2Å; E210-L350 HydrophobicContact CG-CD2 4.38Å; E210-L350 VanDerWaalsContact OE1-CD2 3.3Å; E210-L350 WeakPolarHBondContact OE1-CD2 3.29Å
211I95.4Very high92.4Very high1 Ų143.6 Ų43.61%0.00523%0.232CC..Hα-helixtrans-56.8-48.6175.4-70.3165.2000110.7C207 I208 R209 T214 E215 L263 F280 R343 L350 L354C207-I211 WeakPolarHBondContact O-CG1 3.32Å; C207-I211 PolarHBondContact O-N 3.4Å; I208-I211 PolarHBondContact O-N 3.47Å; R209-I211 PolarHBondContact O-N 2.73Å; I211-T214 PolarHBondContact O-OG1 3.1Å; I211-E215 WeakPolarHBondContact O-CB 3.44Å; I211-E215 PolarHBondContact O-N 3.43Å; I211-L263 HydrophobicContact CG2-CD1 4.22Å; I211-L263 HydrophobicContact CG2-CD2 4.46Å; I211-F280 HydrophobicContact CG2-CE2 4.4Å; I211-F280 HydrophobicContact CG2-CZ 4Å; I211-R343 PolarHBondContact O-NH2 3.28Å; I211-L350 HydrophobicContact CD1-CB 4.32Å; I211-L350 HydrophobicContact CG1-CB 3.97Å; I211-L350 HydrophobicContact CG1-CD1 4.25Å; I211-L350 HydrophobicContact CG1-CD2 4.32Å; I211-L350 HydrophobicContact CG1-CG 4.41Å; I211-L354 HydrophobicContact CD1-CD2 4.09Å
212V95.1Very high93.5Very high24 Ų2437 Ų3715%0.14519%0.191CC..Hα-helixtrans-71.5-47-177.5-179.80000112.5I208 R209 E210 T214 E215 K216 L260 L263 T267I208-V212 PolarHBondContact O-N 3.21Å; R209-V212 PolarHBondContact O-N 3.03Å; E210-V212 VanDerWaalsContact C-N 3.35Å; E210-V212 PolarHBondContact O-N 3.11Å; V212-T214 PolarHBondContact O-N 3.41Å; V212-E215 PolarHBondContact O-N 3.48Å; V212-K216 WeakPolarHBondContact O-CB 3.31Å; V212-K216 PolarHBondContact O-N 2.8Å; V212-L260 HydrophobicContact CG1-CD1 4.43Å; V212-L263 HydrophobicContact CG2-CB 4.44Å; V212-T267 HydrophobicContact CG2-CG2 3.95Å
213D93.4Very high93.9Very high64 Ų6437.3 Ų37.334%0.34219%0.187SC..Hα-helixtrans-63.4-42.2-180-80.5-19.6000111.3R209 K216 N217R209-D213 WeakPolarHBondContact CG-OD2 3.38Å; R209-D213 WeakPolarHBondContact O-CB 3.41Å; R209-D213 PolarHBondContact O-N 3.02Å; D213-K216 PolarHBondContact O-N 2.85Å; D213-N217 VanDerWaalsContact O-CG 3.31Å; D213-N217 PolarHBondContact O-N 3.36Å; D213-N217 PolarHBondContact O-ND2 2.79Å
214T95.7Very high94.1Very high6 Ų635.5 Ų35.54%0.03717%0.168CC..Hα-helixtrans-72-29.7176.860.20000112.6V186 Y187 E210 I211 V212 Y218 R343V186-T214 VanDerWaalsContact CG1-O 3.28Å; V186-T214 WeakPolarHBondContact CG1-O 3.34Å; Y187-T214 HydrophobicContact CD2-CG2 4.19Å; E210-T214 HydrophobicContact CG-CG2 4.19Å; E210-T214 VanDerWaalsContact O-CB 3.28Å; E210-T214 WeakPolarHBondContact O-CB 3.33Å; E210-T214 VanDerWaalsContact O-CG2 3.26Å; E210-T214 WeakPolarHBondContact O-CG2 3.49Å; E210-T214 PolarHBondContact O-N 3.44Å; E210-T214 PolarHBondContact O-OG1 3.2Å; I211-T214 PolarHBondContact O-OG1 3.1Å; V212-T214 PolarHBondContact O-N 3.41Å; T214-Y218 WeakPolarHBondContact O-CB 3.48Å; T214-Y218 PolarHBondContact O-N 2.92Å; T214-R343 VanDerWaalsContact CB-NH1 3.28Å; T214-R343 PolarHBondContact OG1-NH1 2.86Å; T214-R343 PolarHBondContact OG1-NH2 3.34Å
215E97Very high94.3Very high0 Ų033.5 Ų33.50%016%0.161CC..Hα-helixtrans-68.4-43171.8-168.162.6-151.900111.1I211 V212 N217 Y218 V219 H256 F259 L260 L263 R343 Y347I211-E215 WeakPolarHBondContact O-CB 3.44Å; I211-E215 PolarHBondContact O-N 3.43Å; V212-E215 PolarHBondContact O-N 3.48Å; E215-N217 PolarHBondContact O-N 3.45Å; E215-Y218 WeakPolarHBondContact O-CB 3.4Å; E215-Y218 PolarHBondContact O-N 3.24Å; E215-Y218 VanDerWaalsContact O-N 3.12Å; E215-V219 WeakPolarHBondContact O-CG2 3.28Å; E215-V219 PolarHBondContact O-N 3.23Å; E215-H256 IonicContact OE1-CE1 3.06Å; E215-H256 IonicContact OE1-CG 3.67Å; E215-H256 IonicContact OE1-ND1 2.7Å; E215-H256 PolarHBondContact OE1-ND1 3.03Å; E215-F259 HydrophobicContact CG-CD1 4.01Å; E215-F259 HydrophobicContact CG-CE1 4.27Å; E215-L260 HydrophobicContact CB-CD1 4.05Å; E215-L260 HydrophobicContact CG-CB 4.06Å; E215-L260 HydrophobicContact CG-CD1 4.06Å; E215-L263 HydrophobicContact CB-CD1 4.14Å; E215-L263 HydrophobicContact CG-CD1 4.01Å; E215-R343 VanDerWaalsContact CA-NH2 3.32Å; E215-R343 VanDerWaalsContact N-NH2 3.14Å; E215-R343 IonicContact OE2-CZ 2.72Å; E215-R343 VanDerWaalsContact OE2-CZ 3.25Å; E215-R343 IonicContact OE2-NE 3.82Å; E215-R343 PolarHBondContact OE2-NE 3.15Å; E215-R343 IonicContact OE2-NH2 3.71Å; E215-R343 PolarHBondContact OE2-NH2 2.97Å; E215-Y347 VanDerWaalsContact CD-OH 3.25Å; E215-Y347 PolarHBondContact OE1-OH 2.68Å; E215-Y347 VanDerWaalsContact OE2-CE1 3.25Å; E215-Y347 WeakPolarHBondContact OE2-CE1 3.5Å; E215-Y347 PolarHBondContact OE2-OH 3.25Å
216K96.2Very high94.6Very high97 Ų9732.5 Ų32.542%0.42215%0.151SC..Hα-helixtrans-59.6-47.7175.5-176.8178.6176.4-178.50111.9V212 D213 Y218 V219 D220 L260V212-K216 WeakPolarHBondContact O-CB 3.31Å; V212-K216 PolarHBondContact O-N 2.8Å; D213-K216 PolarHBondContact O-N 2.85Å; K216-Y218 PolarHBondContact O-N 2.87Å; K216-V219 PolarHBondContact O-N 2.97Å; K216-D220 PolarHBondContact O-N 3.23Å; K216-L260 HydrophobicContact CB-CD1 4.09Å; K216-L260 HydrophobicContact CB-CD2 4.2Å; K216-L260 HydrophobicContact CG-CD2 4.4Å
217N93.9Very high94.8Very high10 Ų1032.1 Ų32.15%0.05315%0.153CC..Hα-helixtrans-58.4-38.1174.7-71.9-25.4000111.7V186 G189 S190 D213 E215 V221V186-N217 HydrophobicContact CG1-CB 4.42Å; V186-N217 WeakPolarHBondContact O-CB 3.47Å; V186-N217 PolarHBondContact O-ND2 3.01Å; G189-N217 WeakPolarHBondContact CA-ND2 3.29Å; G189-N217 PolarHBondContact O-ND2 2.67Å; S190-N217 PolarHBondContact N-OD1 2.92Å; D213-N217 VanDerWaalsContact O-CG 3.31Å; D213-N217 PolarHBondContact O-N 3.36Å; D213-N217 PolarHBondContact O-ND2 2.79Å; E215-N217 PolarHBondContact O-N 3.45Å; N217-V221 VanDerWaalsContact O-CG2 3.24Å; N217-V221 WeakPolarHBondContact O-CG2 3.45Å; N217-V221 PolarHBondContact O-N 2.96Å; N217-V221 VanDerWaalsContact O-N 3.13Å
218Y96.6Very high94.8Very high0 Ų036.6 Ų36.60%017%0.172CC..Hα-helixtrans-70.2-42.9178178.5-117.2000113.3V186 T214 E215 K216 D220 V221 L222 H256 Y290 I339 P340 R343V186-Y218 HydrophobicContact CG2-CD2 4.5Å; T214-Y218 WeakPolarHBondContact O-CB 3.48Å; T214-Y218 PolarHBondContact O-N 2.92Å; E215-Y218 WeakPolarHBondContact O-CB 3.4Å; E215-Y218 PolarHBondContact O-N 3.24Å; E215-Y218 VanDerWaalsContact O-N 3.12Å; K216-Y218 PolarHBondContact O-N 2.87Å; Y218-D220 VanDerWaalsContact C-N 3.32Å; Y218-D220 PolarHBondContact O-N 3.18Å; Y218-V221 WeakPolarHBondContact O-CB 3.41Å; Y218-V221 PolarHBondContact O-N 2.87Å; Y218-V221 VanDerWaalsContact O-N 3.08Å; Y218-L222 HydrophobicContact CD1-CD1 4.17Å; Y218-L222 HydrophobicContact CE1-CD1 3.57Å; Y218-L222 HydrophobicContact CE1-CG 4.2Å; Y218-L222 HydrophobicContact CE2-CD1 4.29Å; Y218-L222 HydrophobicContact CE2-CD2 4.17Å; Y218-L222 HydrophobicContact CE2-CG 4.03Å; Y218-L222 PolarHBondContact O-N 3.01Å; Y218-H256 HydrophobicContact CD1-CB 4.43Å; Y218-H256 AromaticContact CD1-ND1 3.86Å; Y218-H256 HydrophobicContact CE1-CB 4.28Å; Y218-H256 AromaticContact CE1-CE1 3.91Å; Y218-H256 AromaticContact CE1-CG 3.65Å; Y218-H256 AromaticContact CE1-ND1 3.58Å; Y218-Y290 PolarHBondContact OH-OH 2.86Å; Y218-I339 HydrophobicContact CD2-CG2 4.17Å; Y218-I339 HydrophobicContact CE2-CG2 4.21Å; Y218-P340 HydrophobicContact CE2-CB 4.4Å; Y218-P340 HydrophobicContact CE2-CG 4.33Å; Y218-P340 VanDerWaalsContact OH-CA 3.24Å; Y218-P340 WeakPolarHBondContact OH-CA 3.28Å; Y218-P340 WeakPolarHBondContact OH-CB 3.44Å; Y218-R343 HydrophobicContact CD1-CB 4.34Å; Y218-R343 HydrophobicContact CD1-CG 3.63Å; Y218-R343 HydrophobicContact CD2-CB 3.94Å; Y218-R343 HydrophobicContact CD2-CG 4.02Å; Y218-R343 HydrophobicContact CE1-CB 4.18Å; Y218-R343 HydrophobicContact CE1-CG 3.76Å; Y218-R343 HydrophobicContact CE2-CB 3.82Å; Y218-R343 HydrophobicContact CE2-CG 4.19Å; Y218-R343 HydrophobicContact CG-CB 4.2Å; Y218-R343 HydrophobicContact CG-CG 3.74Å
219V97.1Very high94.9Very high11 Ų1134.8 Ų34.87%0.06716%0.162CC..Hα-helixtrans-61-41.4173.6173.40000110.9E215 K216 V221 L222 K223 H256 R257 L260E215-V219 WeakPolarHBondContact O-CG2 3.28Å; E215-V219 PolarHBondContact O-N 3.23Å; K216-V219 PolarHBondContact O-N 2.97Å; V219-V221 VanDerWaalsContact C-N 3.27Å; V219-V221 PolarHBondContact O-N 3.45Å; V219-L222 PolarHBondContact O-N 3Å; V219-K223 VanDerWaalsContact O-CB 3.27Å; V219-K223 WeakPolarHBondContact O-CB 3.46Å; V219-K223 PolarHBondContact O-N 2.83Å; V219-H256 HydrophobicContact CG2-CB 3.88Å; V219-H256 WeakPolarHBondContact CG2-O 3.38Å; V219-R257 HydrophobicContact CG1-CB 4.43Å; V219-L260 HydrophobicContact CB-CD2 4.01Å; V219-L260 HydrophobicContact CG1-CD2 4.27Å; V219-L260 HydrophobicContact CG2-CB 4.1Å; V219-L260 HydrophobicContact CG2-CD2 3.89Å
220D93.9Very high95.2Very high66 Ų6631.2 Ų31.235%0.35315%0.149SC..Hα-helixtrans-61.7-32.1174-83.3-12.6000112.5K216 Y218 M224K216-D220 PolarHBondContact O-N 3.23Å; Y218-D220 VanDerWaalsContact C-N 3.32Å; Y218-D220 PolarHBondContact O-N 3.18Å; D220-M224 WeakPolarHBondContact O-CB 3.42Å; D220-M224 PolarHBondContact O-N 2.75Å
221V93.9Very high95.3Very high1 Ų133 Ų331%0.00616%0.157CC..Hα-helixtrans-72.9-45.8175.3170.40000111.7V185 N217 Y218 V219 K223 M224 L225 Y328 I339V185-V221 HydrophobicContact CG1-CG1 4.42Å; V185-V221 HydrophobicContact CG1-CG2 3.39Å; N217-V221 VanDerWaalsContact O-CG2 3.24Å; N217-V221 WeakPolarHBondContact O-CG2 3.45Å; N217-V221 PolarHBondContact O-N 2.96Å; N217-V221 VanDerWaalsContact O-N 3.13Å; Y218-V221 WeakPolarHBondContact O-CB 3.41Å; Y218-V221 PolarHBondContact O-N 2.87Å; Y218-V221 VanDerWaalsContact O-N 3.08Å; V219-V221 VanDerWaalsContact C-N 3.27Å; V219-V221 PolarHBondContact O-N 3.45Å; V221-K223 VanDerWaalsContact C-N 3.31Å; V221-K223 PolarHBondContact O-N 2.94Å; V221-M224 HydrophobicContact CG1-CE 4.31Å; V221-M224 WeakPolarHBondContact O-CB 3.21Å; V221-M224 PolarHBondContact O-N 2.78Å; V221-L225 PolarHBondContact O-N 3.23Å; V221-Y328 HydrophobicContact CG2-CE2 3.87Å; V221-I339 HydrophobicContact CG1-CD1 4.25Å; V221-I339 HydrophobicContact CG1-CG2 4.46Å
222L96.5Very high95.2Very high0 Ų035.2 Ų35.20%017%0.172CC..Hα-helixtrans-60.8-42.7175-68.7177.4000111.2Y218 V219 L225 I226 I249 L252 H253 H256 P340Y218-L222 HydrophobicContact CD1-CD1 4.17Å; Y218-L222 HydrophobicContact CE1-CD1 3.57Å; Y218-L222 HydrophobicContact CE1-CG 4.2Å; Y218-L222 HydrophobicContact CE2-CD1 4.29Å; Y218-L222 HydrophobicContact CE2-CD2 4.17Å; Y218-L222 HydrophobicContact CE2-CG 4.03Å; Y218-L222 PolarHBondContact O-N 3.01Å; V219-L222 PolarHBondContact O-N 3Å; L222-L225 PolarHBondContact O-N 3.24Å; L222-I226 WeakPolarHBondContact O-CG1 3.48Å; L222-I226 PolarHBondContact O-N 3.21Å; L222-I249 HydrophobicContact CD2-CG2 4.44Å; L222-L252 HydrophobicContact CD1-CB 4.17Å; L222-L252 HydrophobicContact CD2-CB 4.42Å; L222-H253 HydrophobicContact CB-CB 4.02Å; L222-H256 HydrophobicContact CD1-CB 4.09Å; L222-P340 HydrophobicContact CD2-CG 4.12Å
223K95.8Very high95.3Very high80 Ų8034 Ų3435%0.34817%0.165SC..Hα-helixtrans-61.4-42.2173.6-176.3179.1174.1-176.60112.1V219 V221 I226 E227V219-K223 VanDerWaalsContact O-CB 3.27Å; V219-K223 WeakPolarHBondContact O-CB 3.46Å; V219-K223 PolarHBondContact O-N 2.83Å; V221-K223 VanDerWaalsContact C-N 3.31Å; V221-K223 PolarHBondContact O-N 2.94Å; K223-I226 PolarHBondContact O-N 2.83Å; K223-E227 WeakPolarHBondContact CE-OE1 3.45Å; K223-E227 VanDerWaalsContact CE-OE2 3.23Å; K223-E227 WeakPolarHBondContact CE-OE2 3.37Å; K223-E227 HydrophobicContact CG-CG 4.28Å; K223-E227 IonicContact NZ-OE1 2.88Å; K223-E227 PolarHBondContact O-N 3.02Å
224M94Very high95.3Very high19 Ų1935.8 Ų35.89%0.09417%0.173CC..Hα-helixtrans-62.7-41176.5177.8-73.4-53.400112D220 V221 I226 E227 K228 Y229 Y328 L336D220-M224 WeakPolarHBondContact O-CB 3.42Å; D220-M224 PolarHBondContact O-N 2.75Å; V221-M224 HydrophobicContact CG1-CE 4.31Å; V221-M224 WeakPolarHBondContact O-CB 3.21Å; V221-M224 PolarHBondContact O-N 2.78Å; M224-I226 PolarHBondContact O-N 3.32Å; M224-E227 PolarHBondContact O-N 3.25Å; M224-K228 HydrophobicContact CG-CB 4.36Å; M224-K228 HydrophobicContact CG-CG 4.08Å; M224-K228 WeakPolarHBondContact O-CA 3.43Å; M224-K228 VanDerWaalsContact O-CB 3.27Å; M224-K228 WeakPolarHBondContact O-CB 3.44Å; M224-K228 PolarHBondContact O-N 3.12Å; M224-K228 HydrophobicContact SD-CB 4.29Å; M224-Y229 HydrophobicContact CE-CE2 4.38Å; M224-Y229 HydrophobicContact SD-CD2 3.83Å; M224-Y229 HydrophobicContact SD-CE2 3.6Å; M224-Y328 HydrophobicContact CE-CD2 3.96Å; M224-Y328 HydrophobicContact CG-CD2 4.24Å; M224-Y328 HydrophobicContact SD-CD2 4.46Å; M224-L336 HydrophobicContact CE-CD1 4.25Å
225L95.8Very high95Very high0 Ų039.1 Ų39.10%021%0.208CC..Iπ-helixtrans-59.1-35.9173.4-73.5171.1000112.2V221 L222 Y229 K230 I249 L333 L336 L337V221-L225 PolarHBondContact O-N 3.23Å; L222-L225 PolarHBondContact O-N 3.24Å; L225-Y229 HydrophobicContact CD2-CD2 4.21Å; L225-Y229 WeakPolarHBondContact O-CB 3.44Å; L225-Y229 PolarHBondContact O-N 2.78Å; L225-K230 PolarHBondContact O-N 2.82Å; L225-I249 HydrophobicContact CB-CG2 3.98Å; L225-I249 HydrophobicContact CD1-CD1 4.41Å; L225-I249 HydrophobicContact CD1-CG2 4.33Å; L225-L333 HydrophobicContact CD2-CD1 3.88Å; L225-L336 HydrophobicContact CD2-CB 4.09Å; L225-L337 HydrophobicContact CD1-CD2 4.35Å
226I96.3Very high94.8Very high12 Ų1241.1 Ų41.16%0.06222%0.221CC..Iπ-helixtrans-75-55.2177.3-62.6161.1000111.1L222 K223 M224 K230 H231 I249 E250 H253L222-I226 WeakPolarHBondContact O-CG1 3.48Å; L222-I226 PolarHBondContact O-N 3.21Å; K223-I226 PolarHBondContact O-N 2.83Å; M224-I226 PolarHBondContact O-N 3.32Å; I226-K230 PolarHBondContact O-N 3.03Å; I226-H231 WeakPolarHBondContact CG2-NE2 3.22Å; I226-H231 PolarHBondContact O-N 3.42Å; I226-I249 HydrophobicContact CD1-CG2 4.37Å; I226-I249 HydrophobicContact CG1-CG2 3.97Å; I226-E250 HydrophobicContact CD1-CG 3.82Å; I226-E250 HydrophobicContact CG1-CG 3.96Å; I226-H253 HydrophobicContact CD1-CB 3.57Å; I226-H253 WeakPolarHBondContact CD1-ND1 3.26Å
227E94.8Very high94.7Very high94 Ų9436.9 Ų36.944%0.43920%0.202SC..Iπ-helixtrans-76.3-27.9-171.7-69.5-175.216600114.4K223 M224 P232K223-E227 WeakPolarHBondContact CE-OE1 3.45Å; K223-E227 VanDerWaalsContact CE-OE2 3.23Å; K223-E227 WeakPolarHBondContact CE-OE2 3.37Å; K223-E227 HydrophobicContact CG-CG 4.28Å; K223-E227 IonicContact NZ-OE1 2.88Å; K223-E227 PolarHBondContact O-N 3.02Å; M224-E227 PolarHBondContact O-N 3.25Å; E227-P232 WeakPolarHBondContact O-CD 3.49Å
228K92.6Very high94.8Very high96 Ų9639 Ų3942%0.41722%0.219SC..Iπ-helixtrans-108.5-22.7-175-54.8-60.5-178.41750114M224 P232 C321M224-K228 HydrophobicContact CG-CB 4.36Å; M224-K228 HydrophobicContact CG-CG 4.08Å; M224-K228 WeakPolarHBondContact O-CA 3.43Å; M224-K228 VanDerWaalsContact O-CB 3.27Å; M224-K228 WeakPolarHBondContact O-CB 3.44Å; M224-K228 PolarHBondContact O-N 3.12Å; M224-K228 HydrophobicContact SD-CB 4.29Å; K228-P232 WeakPolarHBondContact O-CG 3.42Å; K228-C321 WeakPolarHBondContact O-CB 3.41Å; K228-C321 PolarHBondContact O-SG 3.13Å; K228-C321 VanDerWaalsContact O-SG 3.35Å
229Y95.2Very high94.7Very high0 Ų045.9 Ų45.90%025%0.25CS..Iπ-helixtrans-112.8-63.7174.2-66.7-92.8000112.9M224 L225 H231 P232 L233 C321 Q322 L333 L336M224-Y229 HydrophobicContact CE-CE2 4.38Å; M224-Y229 HydrophobicContact SD-CD2 3.83Å; M224-Y229 HydrophobicContact SD-CE2 3.6Å; L225-Y229 HydrophobicContact CD2-CD2 4.21Å; L225-Y229 WeakPolarHBondContact O-CB 3.44Å; L225-Y229 PolarHBondContact O-N 2.78Å; Y229-H231 PolarHBondContact O-N 3.03Å; Y229-P232 WeakPolarHBondContact O-CD 3.44Å; Y229-L233 VanDerWaalsContact O-CB 3.27Å; Y229-L233 WeakPolarHBondContact O-CB 3.33Å; Y229-L233 WeakPolarHBondContact O-CD1 3.36Å; Y229-L233 WeakPolarHBondContact O-CG 3.39Å; Y229-L233 PolarHBondContact O-N 2.91Å; Y229-L233 VanDerWaalsContact O-N 3.08Å; Y229-C321 HydrophobicContact CD1-CB 3.63Å; Y229-C321 HydrophobicContact CE1-CB 3.88Å; Y229-C321 HydrophobicContact CG-CB 4.28Å; Y229-Q322 HydrophobicContact CE1-CB 4.26Å; Y229-Q322 WeakPolarHBondContact OH-CA 3.34Å; Y229-Q322 WeakPolarHBondContact OH-CB 3.44Å; Y229-L333 HydrophobicContact CD1-CB 4.21Å; Y229-L333 HydrophobicContact CD1-CD1 3.82Å; Y229-L333 HydrophobicContact CD1-CD2 4.06Å; Y229-L333 HydrophobicContact CD1-CG 4.24Å; Y229-L333 HydrophobicContact CD2-CD1 4.39Å; Y229-L333 HydrophobicContact CE1-CB 3.91Å; Y229-L333 HydrophobicContact CE1-CD1 4.18Å; Y229-L333 HydrophobicContact CE1-CG 4.43Å; Y229-L333 HydrophobicContact CG-CD1 3.9Å; Y229-L336 HydrophobicContact CE2-CD1 3.95Å; Y229-L336 WeakPolarHBondContact OH-CD1 3.24Å
230K96Very high94.6Very high12 Ų1250.7 Ų50.75%0.05228%0.276CS..Iπ-helixtrans-55.6-58.6-174.1-167.3-174.6-178.1179.40111.9L225 I226 L233 I234 I242 F246 E250L225-K230 PolarHBondContact O-N 2.82Å; I226-K230 PolarHBondContact O-N 3.03Å; K230-L233 PolarHBondContact O-N 2.85Å; K230-I234 WeakPolarHBondContact O-CG1 3.41Å; K230-I234 PolarHBondContact O-N 3Å; K230-I242 HydrophobicContact CG-CG2 4.13Å; K230-F246 HydrophobicContact CB-CB 4.4Å; K230-F246 HydrophobicContact CB-CD1 3.89Å; K230-F246 HydrophobicContact CB-CD2 4.05Å; K230-F246 HydrophobicContact CB-CE1 4.15Å; K230-F246 HydrophobicContact CB-CE2 4.3Å; K230-F246 HydrophobicContact CB-CG 3.85Å; K230-F246 HydrophobicContact CB-CZ 4.35Å; K230-F246 HydrophobicContact CD-CB 3.73Å; K230-F246 HydrophobicContact CD-CG 4.13Å; K230-F246 HydrophobicContact CG-CB 3.92Å; K230-F246 HydrophobicContact CG-CD1 4.31Å; K230-F246 HydrophobicContact CG-CD2 3.82Å; K230-F246 HydrophobicContact CG-CE2 4.44Å; K230-F246 HydrophobicContact CG-CG 3.75Å; K230-E250 VanDerWaalsContact CD-OE1 3.23Å; K230-E250 WeakPolarHBondContact CD-OE1 3.37Å; K230-E250 WeakPolarHBondContact CE-OE1 3.47Å; K230-E250 IonicContact NZ-OE1 3.03Å; K230-E250 PolarHBondContact NZ-OE1 2.94Å; K230-E250 IonicContact NZ-OE2 3.22Å; K230-E250 PolarHBondContact NZ-OE2 3.38Å
231H95.6Very high94.7Very high100 Ų10048.8 Ų48.846%0.46326%0.264SS..Hα-helixtrans-63.4-44.4-176.5-62.3-29.5000113.6I226 Y229 L233 I234I226-H231 WeakPolarHBondContact CG2-NE2 3.22Å; I226-H231 PolarHBondContact O-N 3.42Å; Y229-H231 PolarHBondContact O-N 3.03Å; H231-L233 VanDerWaalsContact C-N 3.26Å; H231-L233 PolarHBondContact O-N 3.47Å; H231-I234 PolarHBondContact O-N 3.37Å
232P94.5Very high94.8Very high47 Ų4749 Ų4931%0.30527%0.266SS..Hα-helixtrans-69.7-15.8177.5-25.338.5000115.5E227 K228 Y229 K317E227-P232 WeakPolarHBondContact O-CD 3.49Å; K228-P232 WeakPolarHBondContact O-CG 3.42Å; Y229-P232 WeakPolarHBondContact O-CD 3.44Å; P232-K317 WeakPolarHBondContact O-CE 3.19Å; P232-K317 PolarHBondContact O-NZ 3.44Å
233L95.9Very high94.8Very high0 Ų052.8 Ų52.80%028%0.283CS..Hα-helixtrans-90.5-17.6176.4-70.4168.7000113.7Y229 K230 H231 G235 V236 L237 I242 F246 K317 I318 L333Y229-L233 VanDerWaalsContact O-CB 3.27Å; Y229-L233 WeakPolarHBondContact O-CB 3.33Å; Y229-L233 WeakPolarHBondContact O-CD1 3.36Å; Y229-L233 WeakPolarHBondContact O-CG 3.39Å; Y229-L233 PolarHBondContact O-N 2.91Å; Y229-L233 VanDerWaalsContact O-N 3.08Å; K230-L233 PolarHBondContact O-N 2.85Å; H231-L233 VanDerWaalsContact C-N 3.26Å; H231-L233 PolarHBondContact O-N 3.47Å; L233-G235 PolarHBondContact O-N 3.25Å; L233-V236 PolarHBondContact O-N 3.46Å; L233-L237 HydrophobicContact CB-CD1 4.04Å; L233-L237 HydrophobicContact CB-CG 4.12Å; L233-L237 HydrophobicContact CD1-CD1 4.06Å; L233-L237 HydrophobicContact CD2-CD1 4.37Å; L233-L237 HydrophobicContact CD2-CG 4.29Å; L233-L237 HydrophobicContact CG-CD1 4.39Å; L233-L237 PolarHBondContact O-N 3.22Å; L233-I242 HydrophobicContact CB-CD1 3.79Å; L233-F246 HydrophobicContact CD1-CE2 4.16Å; L233-F246 HydrophobicContact CD1-CZ 4.09Å; L233-K317 HydrophobicContact CD2-CB 4.33Å; L233-K317 HydrophobicContact CD2-CG 3.71Å; L233-I318 HydrophobicContact CD1-CG1 4.1Å; L233-I318 HydrophobicContact CD2-CG1 3.55Å; L233-L333 HydrophobicContact CD1-CD2 4.38Å
234I94.3Very high94.7Very high100 Ų10051.3 Ų51.351%0.51328%0.278SS..BIsolated β-bridgetrans-58.6125.3172-69.8168.5000109.2K230 H231 I242K230-I234 WeakPolarHBondContact O-CG1 3.41Å; K230-I234 PolarHBondContact O-N 3Å; H231-I234 PolarHBondContact O-N 3.37Å; I234-I242 HydrophobicContact CG1-CD1 4.18Å; I234-I242 HydrophobicContact CG1-CG1 4.26Å; I234-I242 HydrophobicContact CG1-CG2 4.27Å
235G88.6Confident94.8Very high76 Ų7650.6 Ų50.678%0.78427%0.274SS*.THydrogen-bonded Turntrans91.6-6.2-177.300000115L233L233-G235 PolarHBondContact O-N 3.25Å
236V93.9Very high94.8Very high42 Ų4250.6 Ų50.626%0.25527%0.274SS..THydrogen-bonded Turntrans-112.3-41.3168-179.30000110.5L233 K314 K317L233-V236 PolarHBondContact O-N 3.46Å; V236-K314 HydrophobicContact CG1-CG 4.18Å; V236-K317 HydrophobicContact CB-CG 4.16Å; V236-K317 HydrophobicContact CG1-CB 3.94Å; V236-K317 HydrophobicContact CG1-CG 4Å; V236-K317 HydrophobicContact CG2-CD 4.18Å; V236-K317 HydrophobicContact CG2-CG 4.04Å
237L94.5Very high94.8Very high8 Ų854.3 Ų54.34%0.04229%0.29CS..BIsolated β-bridgetrans-85.8147.3163.3-58.8-171.4000109.8L233 E241 I242 I245 I307 K314L233-L237 HydrophobicContact CB-CD1 4.04Å; L233-L237 HydrophobicContact CB-CG 4.12Å; L233-L237 HydrophobicContact CD1-CD1 4.06Å; L233-L237 HydrophobicContact CD2-CD1 4.37Å; L233-L237 HydrophobicContact CD2-CG 4.29Å; L233-L237 HydrophobicContact CG-CD1 4.39Å; L233-L237 PolarHBondContact O-N 3.22Å; L237-E241 HydrophobicContact CB-CB 4.04Å; L237-I242 HydrophobicContact CB-CD1 3.87Å; L237-I242 HydrophobicContact CB-CG1 3.85Å; L237-I242 HydrophobicContact CD1-CD1 4.01Å; L237-I242 HydrophobicContact CG-CD1 4.36Å; L237-I245 HydrophobicContact CD1-CD1 3.93Å; L237-I307 HydrophobicContact CD2-CD1 4.18Å; L237-I307 HydrophobicContact CD2-CG2 4.17Å; L237-K314 HydrophobicContact CD2-CB 3.93Å; L237-K314 HydrophobicContact CD2-CD 3.55Å; L237-K314 HydrophobicContact CD2-CG 3.72Å
238S95.3Very high94.9Very high56 Ų5650.7 Ų50.739%0.39227%0.272SS..  trans-66.9161.5171.8690000111.3N240 E241 I242S238-N240 VanDerWaalsContact C-N 3.26Å; S238-N240 PolarHBondContact O-N 2.96Å; S238-E241 WeakPolarHBondContact CB-OE2 3.4Å; S238-E241 PolarHBondContact N-OE2 3.34Å; S238-E241 PolarHBondContact O-N 3.35Å; S238-E241 VanDerWaalsContact O-N 3.11Å; S238-E241 WeakPolarHBondContact OG-CG 3.37Å; S238-E241 PolarHBondContact OG-N 3.47Å; S238-E241 PolarHBondContact OG-OE2 3.37Å; S238-I242 PolarHBondContact O-N 3.45Å
239H94.6Very high95.1Very high144 Ų14446.2 Ų46.267%0.66725%0.253SS*.Hα-helixtrans-56.9-40.6178.6-177.622.2000112.1I242 E243H239-I242 PolarHBondContact O-N 3.08Å; H239-E243 VanDerWaalsContact CE1-CG 3.43Å; H239-E243 WeakPolarHBondContact CE1-CG 3.47Å; H239-E243 IonicContact CE1-OE1 3.56Å; H239-E243 IonicContact ND1-OE1 3.56Å; H239-E243 WeakPolarHBondContact O-CG 3.42Å; H239-E243 PolarHBondContact O-N 3.03Å
240N94.7Very high95.2Very high112 Ų11249.6 Ų49.660%0.59927%0.269SS*.Hα-helixtrans-65.9-39.1177.6-157.6111.1000111.8S238 E244S238-N240 VanDerWaalsContact C-N 3.26Å; S238-N240 PolarHBondContact O-N 2.96Å; N240-E244 VanDerWaalsContact ND2-CG 3.35Å; N240-E244 WeakPolarHBondContact ND2-CG 3.33Å; N240-E244 WeakPolarHBondContact O-CB 3.27Å; N240-E244 VanDerWaalsContact O-CG 3.25Å; N240-E244 WeakPolarHBondContact O-CG 3.46Å; N240-E244 PolarHBondContact O-N 3.27Å
241E96.1Very high95.2Very high25 Ų2554 Ų5412%0.11729%0.29CS..Hα-helixtrans-66.5-39175.8-69.9163114.500111.8L237 S238 I245 L303 I307 K314L237-E241 HydrophobicContact CB-CB 4.04Å; S238-E241 WeakPolarHBondContact CB-OE2 3.4Å; S238-E241 PolarHBondContact N-OE2 3.34Å; S238-E241 PolarHBondContact O-N 3.35Å; S238-E241 VanDerWaalsContact O-N 3.11Å; S238-E241 WeakPolarHBondContact OG-CG 3.37Å; S238-E241 PolarHBondContact OG-N 3.47Å; S238-E241 PolarHBondContact OG-OE2 3.37Å; E241-I245 WeakPolarHBondContact O-CB 3.15Å; E241-I245 WeakPolarHBondContact O-CD1 3.38Å; E241-I245 WeakPolarHBondContact O-CG1 3.27Å; E241-I245 PolarHBondContact O-N 2.83Å; E241-L303 HydrophobicContact CG-CD2 4.46Å; E241-I307 HydrophobicContact CB-CD1 4.35Å; E241-I307 HydrophobicContact CG-CD1 4.12Å; E241-I307 WeakPolarHBondContact OE1-CD1 3.42Å; E241-K314 VanDerWaalsContact CD-NZ 3.28Å; E241-K314 IonicContact OE1-NZ 2.9Å; E241-K314 PolarHBondContact OE1-NZ 3.19Å; E241-K314 IonicContact OE2-NZ 2.6Å; E241-K314 PolarHBondContact OE2-NZ 3.03Å
242I96.8Very high95.3Very high6 Ų649.3 Ų49.33%0.03127%0.268CS..Hα-helixtrans-65.2-45.4175.3-70-69.3000111.7K230 L233 I234 L237 S238 H239 F246K230-I242 HydrophobicContact CG-CG2 4.13Å; L233-I242 HydrophobicContact CB-CD1 3.79Å; I234-I242 HydrophobicContact CG1-CD1 4.18Å; I234-I242 HydrophobicContact CG1-CG1 4.26Å; I234-I242 HydrophobicContact CG1-CG2 4.27Å; L237-I242 HydrophobicContact CB-CD1 3.87Å; L237-I242 HydrophobicContact CB-CG1 3.85Å; L237-I242 HydrophobicContact CD1-CD1 4.01Å; L237-I242 HydrophobicContact CG-CD1 4.36Å; S238-I242 PolarHBondContact O-N 3.45Å; H239-I242 PolarHBondContact O-N 3.08Å; I242-F246 HydrophobicContact CD1-CD2 4.4Å; I242-F246 HydrophobicContact CD1-CE2 4.35Å; I242-F246 WeakPolarHBondContact O-CB 3.4Å; I242-F246 PolarHBondContact O-N 2.58Å
243E94.8Very high95.5Very high80 Ų8048.5 Ų48.537%0.37426%0.26SS..Hα-helixtrans-63.4-50.6176.8-69.6-57123.800110.5H239 I245 F246 K247H239-E243 VanDerWaalsContact CE1-CG 3.43Å; H239-E243 WeakPolarHBondContact CE1-CG 3.47Å; H239-E243 IonicContact CE1-OE1 3.56Å; H239-E243 IonicContact ND1-OE1 3.56Å; H239-E243 WeakPolarHBondContact O-CG 3.42Å; H239-E243 PolarHBondContact O-N 3.03Å; E243-I245 VanDerWaalsContact C-N 3.33Å; E243-I245 PolarHBondContact O-N 3.37Å; E243-F246 PolarHBondContact O-N 3.45Å; E243-K247 VanDerWaalsContact O-CA 3.24Å; E243-K247 WeakPolarHBondContact O-CA 3.37Å; E243-K247 WeakPolarHBondContact O-CB 3.18Å; E243-K247 PolarHBondContact O-N 3.23Å
244E94.2Very high95.6Very high49 Ų4951.5 Ų51.523%0.22928%0.278CS..Hα-helixtrans-62.6-35.2-177.7-71.3-61.4162.500113.7N240 H296 H299 L303N240-E244 VanDerWaalsContact ND2-CG 3.35Å; N240-E244 WeakPolarHBondContact ND2-CG 3.33Å; N240-E244 WeakPolarHBondContact O-CB 3.27Å; N240-E244 VanDerWaalsContact O-CG 3.25Å; N240-E244 WeakPolarHBondContact O-CG 3.46Å; N240-E244 PolarHBondContact O-N 3.27Å; E244-H296 PolarHBondContact O-CD2 2.95Å; E244-H296 PolarHBondContact O-NE2 3.3Å; E244-H296 IonicContact OE2-CE1 3.95Å; E244-H296 PolarHBondContact OE2-CE1 3.27Å; E244-H296 IonicContact OE2-NE2 2.84Å; E244-H296 PolarHBondContact OE2-NE2 3.38Å; E244-H299 IonicContact OE2-CD2 3.59Å; E244-H299 PolarHBondContact OE2-CD2 2.62Å; E244-H299 IonicContact OE2-NE2 2.72Å; E244-L303 HydrophobicContact CB-CD2 3.65Å; E244-L303 HydrophobicContact CG-CD2 4.43Å
245I96.5Very high95.8Very high3 Ų347.6 Ų47.62%0.01526%0.258CS..Hα-helixtrans-79.8-38.4-179.7-63.5166.7000112.1L237 E241 E243 L303 V304 I307 L333 L337L237-I245 HydrophobicContact CD1-CD1 3.93Å; E241-I245 WeakPolarHBondContact O-CB 3.15Å; E241-I245 WeakPolarHBondContact O-CD1 3.38Å; E241-I245 WeakPolarHBondContact O-CG1 3.27Å; E241-I245 PolarHBondContact O-N 2.83Å; E243-I245 VanDerWaalsContact C-N 3.33Å; E243-I245 PolarHBondContact O-N 3.37Å; I245-L303 HydrophobicContact CD1-CD2 4.45Å; I245-L303 HydrophobicContact CD1-CG 4.39Å; I245-L303 HydrophobicContact CG1-CD2 4.07Å; I245-L303 HydrophobicContact CG1-CG 4.31Å; I245-V304 HydrophobicContact CD1-CG2 3.83Å; I245-V304 HydrophobicContact CG1-CG2 3.98Å; I245-V304 HydrophobicContact CG2-CG2 3.85Å; I245-I307 HydrophobicContact CD1-CD1 3.91Å; I245-L333 HydrophobicContact CG2-CD2 4.43Å; I245-L337 HydrophobicContact CG2-CD1 4.07Å
246F96.7Very high96.3Very high0 Ų044 Ų440%022%0.221CC..Hα-helixtrans-113.4-0.5-169-62.1-80.4000115.4K230 L233 I242 E243 Y248 I249 L333K230-F246 HydrophobicContact CB-CB 4.4Å; K230-F246 HydrophobicContact CB-CD1 3.89Å; K230-F246 HydrophobicContact CB-CD2 4.05Å; K230-F246 HydrophobicContact CB-CE1 4.15Å; K230-F246 HydrophobicContact CB-CE2 4.3Å; K230-F246 HydrophobicContact CB-CG 3.85Å; K230-F246 HydrophobicContact CB-CZ 4.35Å; K230-F246 HydrophobicContact CD-CB 3.73Å; K230-F246 HydrophobicContact CD-CG 4.13Å; K230-F246 HydrophobicContact CG-CB 3.92Å; K230-F246 HydrophobicContact CG-CD1 4.31Å; K230-F246 HydrophobicContact CG-CD2 3.82Å; K230-F246 HydrophobicContact CG-CE2 4.44Å; K230-F246 HydrophobicContact CG-CG 3.75Å; L233-F246 HydrophobicContact CD1-CE2 4.16Å; L233-F246 HydrophobicContact CD1-CZ 4.09Å; I242-F246 HydrophobicContact CD1-CD2 4.4Å; I242-F246 HydrophobicContact CD1-CE2 4.35Å; I242-F246 WeakPolarHBondContact O-CB 3.4Å; I242-F246 PolarHBondContact O-N 2.58Å; E243-F246 PolarHBondContact O-N 3.45Å; F246-Y248 PolarHBondContact O-N 2.65Å; F246-I249 HydrophobicContact CB-CG1 4.49Å; F246-I249 HydrophobicContact CD1-CG1 4.35Å; F246-I249 WeakPolarHBondContact O-CB 3.4Å; F246-I249 WeakPolarHBondContact O-CG1 3.35Å; F246-I249 PolarHBondContact O-N 3.43Å; F246-L333 HydrophobicContact CE1-CD1 4.14Å; F246-L333 HydrophobicContact CZ-CD1 4.18Å; F246-L333 HydrophobicContact CZ-CD2 4.06Å
247K94.9Very high96.5Very high90 Ų9047.4 Ų47.439%0.39123%0.229SC..THydrogen-bonded Turntrans-24.8-62.8-175.9-165171.9170.4-1540115.7E243 H296E243-K247 VanDerWaalsContact O-CA 3.24Å; E243-K247 WeakPolarHBondContact O-CA 3.37Å; E243-K247 WeakPolarHBondContact O-CB 3.18Å; E243-K247 PolarHBondContact O-N 3.23Å; K247-H296 VanDerWaalsContact CD-CE1 3.42Å; K247-H296 WeakPolarHBondContact CD-CE1 3.34Å; K247-H296 PolarHBondContact NZ-ND1 2.97Å
248Y96.8Very high96.6Very high19 Ų1952.3 Ų52.38%0.07525%0.252CS..THydrogen-bonded Turntrans-93.1-8.7-172.6-62.5-81.5000114.1F246 E250 E251 L252 I289 E292 Y293 H296F246-Y248 PolarHBondContact O-N 2.65Å; Y248-E250 VanDerWaalsContact C-N 3.35Å; Y248-E250 PolarHBondContact O-N 3.46Å; Y248-E251 PolarHBondContact O-N 3.38Å; Y248-L252 WeakPolarHBondContact O-CB 3.16Å; Y248-L252 VanDerWaalsContact O-CG 3.3Å; Y248-L252 WeakPolarHBondContact O-CG 3.24Å; Y248-L252 PolarHBondContact O-N 2.63Å; Y248-I289 HydrophobicContact CD1-CD1 3.89Å; Y248-I289 HydrophobicContact CD1-CG1 3.96Å; Y248-I289 HydrophobicContact CE1-CD1 4.38Å; Y248-I289 HydrophobicContact CE1-CG1 4.23Å; Y248-E292 HydrophobicContact CE1-CB 3.93Å; Y248-E292 WeakPolarHBondContact CE1-OE2 3.48Å; Y248-E292 PolarHBondContact OH-OE2 3.17Å; Y248-Y293 AromaticContact CD2-CD2 3.97Å; Y248-Y293 HydrophobicContact CD2-CD2 3.97Å; Y248-Y293 HydrophobicContact CG-CD2 4.13Å; Y248-H296 HydrophobicContact CD2-CB 4.1Å; Y248-H296 HydrophobicContact CE2-CB 3.64Å; Y248-H296 AromaticContact CE2-CG 3.7Å; Y248-H296 AromaticContact CE2-ND1 3.86Å
249I97.6Very high96.7Very high1 Ų149.6 Ų49.61%0.00523%0.233CC..Hα-helixtrans-66.4-35.3-170-57.3-61.4000112.1L222 L225 I226 F246 H253 Y293 L337L222-I249 HydrophobicContact CD2-CG2 4.44Å; L225-I249 HydrophobicContact CB-CG2 3.98Å; L225-I249 HydrophobicContact CD1-CD1 4.41Å; L225-I249 HydrophobicContact CD1-CG2 4.33Å; I226-I249 HydrophobicContact CD1-CG2 4.37Å; I226-I249 HydrophobicContact CG1-CG2 3.97Å; F246-I249 HydrophobicContact CB-CG1 4.49Å; F246-I249 HydrophobicContact CD1-CG1 4.35Å; F246-I249 WeakPolarHBondContact O-CB 3.4Å; F246-I249 WeakPolarHBondContact O-CG1 3.35Å; F246-I249 PolarHBondContact O-N 3.43Å; I249-H253 VanDerWaalsContact O-CB 3.24Å; I249-H253 WeakPolarHBondContact O-CB 3.17Å; I249-H253 PolarHBondContact O-N 3.14Å; I249-Y293 HydrophobicContact CD1-CE2 3.81Å; I249-Y293 WeakPolarHBondContact CD1-OH 3.38Å; I249-L337 HydrophobicContact CD1-CD2 3.87Å; I249-L337 HydrophobicContact CG1-CD2 4.24Å
250E96.2Very high96.9Very high71 Ų7144 Ų4433%0.33221%0.208SC..Hα-helixtrans-73.9-32.6177.9-75.8169.417100113.1I226 K230 Y248 T254I226-E250 HydrophobicContact CD1-CG 3.82Å; I226-E250 HydrophobicContact CG1-CG 3.96Å; K230-E250 VanDerWaalsContact CD-OE1 3.23Å; K230-E250 WeakPolarHBondContact CD-OE1 3.37Å; K230-E250 WeakPolarHBondContact CE-OE1 3.47Å; K230-E250 IonicContact NZ-OE1 3.03Å; K230-E250 PolarHBondContact NZ-OE1 2.94Å; K230-E250 IonicContact NZ-OE2 3.22Å; K230-E250 PolarHBondContact NZ-OE2 3.38Å; Y248-E250 VanDerWaalsContact C-N 3.35Å; Y248-E250 PolarHBondContact O-N 3.46Å; E250-T254 WeakPolarHBondContact O-CB 3.01Å; E250-T254 PolarHBondContact O-N 2.52Å; E250-T254 PolarHBondContact O-OG1 3.42Å
251E97.2Very high96.9Very high106 Ų10641.8 Ų41.850%0.49520%0.201SC..Hα-helixtrans-73.4-46.2175-170.8164.2-168.700110.7Y248 H253 T254 I255 I289Y248-E251 PolarHBondContact O-N 3.38Å; E251-H253 PolarHBondContact O-N 2.93Å; E251-T254 WeakPolarHBondContact O-CA 3.39Å; E251-T254 WeakPolarHBondContact O-CB 3.47Å; E251-T254 PolarHBondContact O-N 3.45Å; E251-I255 HydrophobicContact CG-CD1 4.11Å; E251-I255 WeakPolarHBondContact O-CG1 3.5Å; E251-I255 PolarHBondContact O-N 2.96Å; E251-I289 HydrophobicContact CB-CD1 4.34Å; E251-I289 HydrophobicContact CG-CD1 3.74Å; E251-I289 VanDerWaalsContact OE2-CD1 3.25Å; E251-I289 WeakPolarHBondContact OE2-CD1 3.49Å
252L98.2Very high96.8Very high0 Ų042.3 Ų42.30%021%0.205CC..Hα-helixtrans-55.8-47.4169.7-70.6178000111.6L222 Y248 T254 I255 H256 I289 Y290 Y293 P340L222-L252 HydrophobicContact CD1-CB 4.17Å; L222-L252 HydrophobicContact CD2-CB 4.42Å; Y248-L252 WeakPolarHBondContact O-CB 3.16Å; Y248-L252 VanDerWaalsContact O-CG 3.3Å; Y248-L252 WeakPolarHBondContact O-CG 3.24Å; Y248-L252 PolarHBondContact O-N 2.63Å; L252-T254 PolarHBondContact O-N 3.5Å; L252-I255 PolarHBondContact O-N 3.4Å; L252-H256 WeakPolarHBondContact O-CB 3.25Å; L252-H256 PolarHBondContact O-CD2 2.85Å; L252-H256 PolarHBondContact O-N 2.95Å; L252-I289 HydrophobicContact CD2-CG2 3.78Å; L252-Y290 HydrophobicContact CD1-CE1 4.39Å; L252-Y290 HydrophobicContact CD2-CD1 4.45Å; L252-Y290 HydrophobicContact CD2-CD2 3.92Å; L252-Y290 HydrophobicContact CD2-CE1 4.03Å; L252-Y290 HydrophobicContact CD2-CE2 3.45Å; L252-Y290 VanDerWaalsContact CD2-CE2 3.45Å; L252-Y290 HydrophobicContact CD2-CG 4.41Å; L252-Y293 HydrophobicContact CD1-CD1 4.32Å; L252-Y293 HydrophobicContact CD1-CD2 4.21Å; L252-Y293 HydrophobicContact CD1-CE2 4.4Å; L252-Y293 HydrophobicContact CD1-CG 4.13Å; L252-P340 HydrophobicContact CD1-CB 4.2Å
253H98.4Very high96.7Very high30 Ų3042 Ų4214%0.13920%0.203CC..Hα-helixtrans-59.4-34175.8174.2-134.9000112.2L222 I226 I249 E251 R257L222-H253 HydrophobicContact CB-CB 4.02Å; I226-H253 HydrophobicContact CD1-CB 3.57Å; I226-H253 WeakPolarHBondContact CD1-ND1 3.26Å; I249-H253 VanDerWaalsContact O-CB 3.24Å; I249-H253 WeakPolarHBondContact O-CB 3.17Å; I249-H253 PolarHBondContact O-N 3.14Å; E251-H253 PolarHBondContact O-N 2.93Å; H253-R257 PolarHBondContact CE1-NH1 2.92Å; H253-R257 WeakPolarHBondContact O-CB 3.49Å; H253-R257 PolarHBondContact O-N 3.41Å; H253-R257 PolarHBondContact O-NH1 3.08Å
254T98.2Very high96.6Very high63 Ų6340.8 Ų40.839%0.38720%0.203SC..Hα-helixtrans-73.3-48.5178.6-66.70000112.2E250 E251 L252 H256 R257 E258E250-T254 WeakPolarHBondContact O-CB 3.01Å; E250-T254 PolarHBondContact O-N 2.52Å; E250-T254 PolarHBondContact O-OG1 3.42Å; E251-T254 WeakPolarHBondContact O-CA 3.39Å; E251-T254 WeakPolarHBondContact O-CB 3.47Å; E251-T254 PolarHBondContact O-N 3.45Å; L252-T254 PolarHBondContact O-N 3.5Å; T254-H256 VanDerWaalsContact C-N 3.35Å; T254-H256 PolarHBondContact O-N 3.42Å; T254-R257 PolarHBondContact O-N 2.67Å; T254-R257 PolarHBondContact OG1-NH1 2.93Å; T254-R257 PolarHBondContact OG1-NH2 2.9Å; T254-E258 PolarHBondContact O-N 3.46Å; T254-E258 VanDerWaalsContact O-N 3.13Å
255I98.1Very high96.5Very high18 Ų1841 Ų419%0.09221%0.206CC..Hα-helixtrans-57.3-48.1175.2-66162.6000110.5E251 L252 E258 F259 T283 N286 L287 I289E251-I255 HydrophobicContact CG-CD1 4.11Å; E251-I255 WeakPolarHBondContact O-CG1 3.5Å; E251-I255 PolarHBondContact O-N 2.96Å; L252-I255 PolarHBondContact O-N 3.4Å; I255-E258 PolarHBondContact O-N 2.86Å; I255-F259 WeakPolarHBondContact O-CB 3.49Å; I255-F259 PolarHBondContact O-N 3.39Å; I255-T283 HydrophobicContact CG2-CG2 4.17Å; I255-N286 HydrophobicContact CD1-CB 4.31Å; I255-N286 HydrophobicContact CG1-CB 4.34Å; I255-N286 HydrophobicContact CG2-CB 4.03Å; I255-L287 HydrophobicContact CG2-CD2 4.32Å; I255-I289 HydrophobicContact CD1-CG2 3.95Å
256H98.5Very high96.2Very high0 Ų041.7 Ų41.70%021%0.212CC..Hα-helixtrans-75.5-29.4-175.3-75.9-86.2000113.6E215 Y218 V219 L222 L252 T254 L260 L287 Y290 Y347E215-H256 IonicContact OE1-CE1 3.06Å; E215-H256 IonicContact OE1-CG 3.67Å; E215-H256 IonicContact OE1-ND1 2.7Å; E215-H256 PolarHBondContact OE1-ND1 3.03Å; Y218-H256 HydrophobicContact CD1-CB 4.43Å; Y218-H256 AromaticContact CD1-ND1 3.86Å; Y218-H256 HydrophobicContact CE1-CB 4.28Å; Y218-H256 AromaticContact CE1-CE1 3.91Å; Y218-H256 AromaticContact CE1-CG 3.65Å; Y218-H256 AromaticContact CE1-ND1 3.58Å; V219-H256 HydrophobicContact CG2-CB 3.88Å; V219-H256 WeakPolarHBondContact CG2-O 3.38Å; L222-H256 HydrophobicContact CD1-CB 4.09Å; L252-H256 WeakPolarHBondContact O-CB 3.25Å; L252-H256 PolarHBondContact O-CD2 2.85Å; L252-H256 PolarHBondContact O-N 2.95Å; T254-H256 VanDerWaalsContact C-N 3.35Å; T254-H256 PolarHBondContact O-N 3.42Å; H256-L260 VanDerWaalsContact O-CB 3.26Å; H256-L260 WeakPolarHBondContact O-CB 3.42Å; H256-L260 PolarHBondContact O-N 3.01Å; H256-L287 WeakPolarHBondContact NE2-CD2 3.42Å; H256-Y290 PolarHBondContact CD2-OH 3.49Å; H256-Y290 PolarHBondContact CE1-OH 3.03Å; H256-Y290 AromaticContact NE2-CE2 3.34Å; H256-Y290 VanDerWaalsContact NE2-CE2 3.34Å; H256-Y290 WeakPolarHBondContact NE2-CE2 3.23Å; H256-Y290 AromaticContact NE2-CZ 3.46Å; H256-Y290 PolarHBondContact NE2-OH 2.87Å; H256-Y347 AromaticContact CE1-CZ 3.94Å; H256-Y347 PolarHBondContact CE1-OH 3.49Å; H256-Y347 PolarHBondContact ND1-OH 3.06Å
257R98.1Very high95.8Very high114 Ų11444.3 Ų44.343%0.4323%0.228SC..Hα-helixtrans-65-40.9170.1-179-179.567.9-107.5-1111.8V219 H253 T254 S261V219-R257 HydrophobicContact CG1-CB 4.43Å; H253-R257 PolarHBondContact CE1-NH1 2.92Å; H253-R257 WeakPolarHBondContact O-CB 3.49Å; H253-R257 PolarHBondContact O-N 3.41Å; H253-R257 PolarHBondContact O-NH1 3.08Å; T254-R257 PolarHBondContact O-N 2.67Å; T254-R257 PolarHBondContact OG1-NH1 2.93Å; T254-R257 PolarHBondContact OG1-NH2 2.9Å; R257-S261 PolarHBondContact O-N 2.78Å; R257-S261 VanDerWaalsContact O-N 3.16Å
258E97.2Very high95.4Very high111 Ų11141.6 Ų41.652%0.51922%0.22SC..Hα-helixtrans-67.5-46.5174.6-168.5-171.6151.700111.2T254 I255 L260 S261 N262T254-E258 PolarHBondContact O-N 3.46Å; T254-E258 VanDerWaalsContact O-N 3.13Å; I255-E258 PolarHBondContact O-N 2.86Å; E258-L260 PolarHBondContact O-N 3.16Å; E258-S261 WeakPolarHBondContact O-CB 3.45Å; E258-S261 PolarHBondContact O-N 2.91Å; E258-S261 VanDerWaalsContact O-N 3.1Å; E258-N262 PolarHBondContact O-N 2.85Å; E258-N262 PolarHBondContact O-ND2 3.41Å
259F97.6Very high94.3Very high0 Ų045.8 Ų45.80%026%0.259CS..Hα-helixtrans-57.6-46.3176.9-178.7-122.4000112.3E215 I255 S261 N262 L263 V279 F280 T283 Y347E215-F259 HydrophobicContact CG-CD1 4.01Å; E215-F259 HydrophobicContact CG-CE1 4.27Å; I255-F259 WeakPolarHBondContact O-CB 3.49Å; I255-F259 PolarHBondContact O-N 3.39Å; F259-S261 VanDerWaalsContact C-N 3.32Å; F259-S261 PolarHBondContact O-N 2.81Å; F259-N262 PolarHBondContact O-N 3.39Å; F259-L263 HydrophobicContact CD1-CD1 4.01Å; F259-L263 HydrophobicContact CD2-CG 4.39Å; F259-L263 HydrophobicContact CE1-CD1 3.66Å; F259-L263 HydrophobicContact CE1-CG 4.38Å; F259-L263 HydrophobicContact CE2-CD1 4.32Å; F259-L263 HydrophobicContact CE2-CD2 4.25Å; F259-L263 HydrophobicContact CE2-CG 4.18Å; F259-L263 HydrophobicContact CG-CD1 4.46Å; F259-L263 HydrophobicContact CZ-CD1 3.83Å; F259-L263 HydrophobicContact CZ-CD2 4.22Å; F259-L263 HydrophobicContact CZ-CG 4.16Å; F259-L263 WeakPolarHBondContact O-CB 3.36Å; F259-L263 WeakPolarHBondContact O-CG 3.43Å; F259-L263 PolarHBondContact O-N 3.01Å; F259-V279 HydrophobicContact CD2-CG1 3.73Å; F259-V279 HydrophobicContact CE2-CG1 3.75Å; F259-F280 HydrophobicContact CE2-CD1 4.12Å; F259-F280 HydrophobicContact CE2-CE1 4.36Å; F259-F280 HydrophobicContact CE2-CG 4.4Å; F259-F280 AromaticContact CZ-CD1 3.78Å; F259-F280 HydrophobicContact CZ-CD1 3.78Å; F259-F280 AromaticContact CZ-CE1 3.59Å; F259-F280 HydrophobicContact CZ-CE1 3.59Å; F259-F280 HydrophobicContact CZ-CG 4.39Å; F259-F280 HydrophobicContact CZ-CZ 4.01Å; F259-T283 HydrophobicContact CB-CG2 4.09Å; F259-T283 HydrophobicContact CD2-CG2 3.68Å; F259-T283 WeakPolarHBondContact CD2-OG1 3.39Å; F259-T283 HydrophobicContact CE2-CG2 4.3Å; F259-T283 HydrophobicContact CG-CG2 3.98Å; F259-Y347 HydrophobicContact CE1-CD1 4.49Å; F259-Y347 AromaticContact CE1-CE1 3.72Å; F259-Y347 HydrophobicContact CE1-CE1 3.72Å; F259-Y347 AromaticContact CE1-CZ 3.93Å; F259-Y347 HydrophobicContact CZ-CE1 4.31Å
260L97.1Very high93Very high27 Ų2751 Ų5114%0.14129%0.291CS..Hα-helixtrans-59.7-40173.9177.562.6000112.5V212 E215 K216 V219 H256 E258 S264V212-L260 HydrophobicContact CG1-CD1 4.43Å; E215-L260 HydrophobicContact CB-CD1 4.05Å; E215-L260 HydrophobicContact CG-CB 4.06Å; E215-L260 HydrophobicContact CG-CD1 4.06Å; K216-L260 HydrophobicContact CB-CD1 4.09Å; K216-L260 HydrophobicContact CB-CD2 4.2Å; K216-L260 HydrophobicContact CG-CD2 4.4Å; V219-L260 HydrophobicContact CB-CD2 4.01Å; V219-L260 HydrophobicContact CG1-CD2 4.27Å; V219-L260 HydrophobicContact CG2-CB 4.1Å; V219-L260 HydrophobicContact CG2-CD2 3.89Å; H256-L260 VanDerWaalsContact O-CB 3.26Å; H256-L260 WeakPolarHBondContact O-CB 3.42Å; H256-L260 PolarHBondContact O-N 3.01Å; E258-L260 PolarHBondContact O-N 3.16Å; L260-S264 WeakPolarHBondContact O-CB 3.49Å; L260-S264 PolarHBondContact O-N 3.23Å; L260-S264 PolarHBondContact O-OG 3.41Å
261S95Very high91.4Very high64 Ų6452.2 Ų52.245%0.44830%0.298SS..Hα-helixtrans-62.6-45.9175-1740000111.1R257 E258 F259 S264 L265R257-S261 PolarHBondContact O-N 2.78Å; R257-S261 VanDerWaalsContact O-N 3.16Å; E258-S261 WeakPolarHBondContact O-CB 3.45Å; E258-S261 PolarHBondContact O-N 2.91Å; E258-S261 VanDerWaalsContact O-N 3.1Å; F259-S261 VanDerWaalsContact C-N 3.32Å; F259-S261 PolarHBondContact O-N 2.81Å; S261-S264 PolarHBondContact O-N 3.33Å; S261-L265 WeakPolarHBondContact O-CG 3.42Å; S261-L265 PolarHBondContact O-N 2.86Å
262N94.9Very high89.9Confident37 Ų3753 Ų5320%0.19831%0.305CS..Hα-helixtrans-67.3-39.1179.3-69.6-25000112.2E258 F259 L265 A266 V279E258-N262 PolarHBondContact O-N 2.85Å; E258-N262 PolarHBondContact O-ND2 3.41Å; F259-N262 PolarHBondContact O-N 3.39Å; N262-L265 PolarHBondContact O-N 3.38Å; N262-A266 WeakPolarHBondContact O-CB 3.36Å; N262-A266 PolarHBondContact O-N 3.26Å; N262-V279 HydrophobicContact CB-CB 4.46Å; N262-V279 HydrophobicContact CB-CG1 3.62Å; N262-V279 HydrophobicContact CB-CG2 4.02Å
263L94.6Very high88.8Confident0 Ų056.8 Ų56.80%032%0.322CS..Hα-helixtrans-61.8-42.9171.4-73176.9000111.6I211 V212 E215 F259 L265 A266 T267 L276 V279 F280I211-L263 HydrophobicContact CG2-CD1 4.22Å; I211-L263 HydrophobicContact CG2-CD2 4.46Å; V212-L263 HydrophobicContact CG2-CB 4.44Å; E215-L263 HydrophobicContact CB-CD1 4.14Å; E215-L263 HydrophobicContact CG-CD1 4.01Å; F259-L263 HydrophobicContact CD1-CD1 4.01Å; F259-L263 HydrophobicContact CD2-CG 4.39Å; F259-L263 HydrophobicContact CE1-CD1 3.66Å; F259-L263 HydrophobicContact CE1-CG 4.38Å; F259-L263 HydrophobicContact CE2-CD1 4.32Å; F259-L263 HydrophobicContact CE2-CD2 4.25Å; F259-L263 HydrophobicContact CE2-CG 4.18Å; F259-L263 HydrophobicContact CG-CD1 4.46Å; F259-L263 HydrophobicContact CZ-CD1 3.83Å; F259-L263 HydrophobicContact CZ-CD2 4.22Å; F259-L263 HydrophobicContact CZ-CG 4.16Å; F259-L263 WeakPolarHBondContact O-CB 3.36Å; F259-L263 WeakPolarHBondContact O-CG 3.43Å; F259-L263 PolarHBondContact O-N 3.01Å; L263-L265 VanDerWaalsContact C-N 3.29Å; L263-L265 PolarHBondContact O-N 2.84Å; L263-A266 PolarHBondContact O-N 2.7Å; L263-T267 WeakPolarHBondContact O-CB 3.14Å; L263-T267 WeakPolarHBondContact O-CG2 3.37Å; L263-T267 PolarHBondContact O-N 3.25Å; L263-T267 PolarHBondContact O-OG1 3.22Å; L263-L276 HydrophobicContact CD2-CD1 3.45Å; L263-L276 VanDerWaalsContact CD2-CD1 3.45Å; L263-V279 HydrophobicContact CD2-CB 4.33Å; L263-V279 HydrophobicContact CD2-CG1 3.79Å; L263-V279 HydrophobicContact CG-CG1 3.93Å; L263-F280 HydrophobicContact CD2-CE2 4.07Å
264S92.8Very high88Confident53 Ų5356.6 Ų56.637%0.37132%0.322SS..Hα-helixtrans-64.5-33.8178.6-58.10000112.1L260 S261 S268L260-S264 WeakPolarHBondContact O-CB 3.49Å; L260-S264 PolarHBondContact O-N 3.23Å; L260-S264 PolarHBondContact O-OG 3.41Å; S261-S264 PolarHBondContact O-N 3.33Å; S264-S268 WeakPolarHBondContact O-CB 3.29Å; S264-S268 PolarHBondContact O-N 3.37Å
265L91.1Very high87.5Confident55 Ų5555 Ų5529%0.28831%0.313SS..Hα-helixtrans-69.9-50.2171.9-70.5169.6000111.6S261 N262 L263 T267 S268 M271 F273 L274S261-L265 WeakPolarHBondContact O-CG 3.42Å; S261-L265 PolarHBondContact O-N 2.86Å; N262-L265 PolarHBondContact O-N 3.38Å; L263-L265 VanDerWaalsContact C-N 3.29Å; L263-L265 PolarHBondContact O-N 2.84Å; L265-T267 PolarHBondContact O-N 3.19Å; L265-S268 VanDerWaalsContact O-CB 3.31Å; L265-S268 WeakPolarHBondContact O-CB 3.44Å; L265-S268 PolarHBondContact O-N 3.34Å; L265-M271 HydrophobicContact CD2-CB 4.43Å; L265-F273 HydrophobicContact CD1-CZ 4.3Å; L265-F273 HydrophobicContact CD2-CZ 4.45Å; L265-L274 HydrophobicContact CB-CD1 4.17Å; L265-L274 HydrophobicContact CD1-CD1 4.35Å
266A90.6Very high87.2Confident16 Ų1654.8 Ų54.813%0.13231%0.312CS..Hα-helixtrans-62.1-25.618000000113.8N262 L263 L274 V279N262-A266 WeakPolarHBondContact O-CB 3.36Å; N262-A266 PolarHBondContact O-N 3.26Å; L263-A266 PolarHBondContact O-N 2.7Å; A266-L274 WeakPolarHBondContact CA-O 3.39Å; A266-L274 HydrophobicContact CB-CB 4.06Å; A266-L274 VanDerWaalsContact CB-O 3.32Å; A266-L274 WeakPolarHBondContact CB-O 3.39Å; A266-V279 HydrophobicContact CB-CG2 3.85Å
267T89.2Confident87Confident55 Ų5554.9 Ų54.934%0.33731%0.313SS..THydrogen-bonded Turntrans-97.11.2175.456.50000113.9I208 V212 L263 L265 A269I208-T267 HydrophobicContact CG2-CG2 3.46Å; I208-T267 VanDerWaalsContact CG2-CG2 3.46Å; V212-T267 HydrophobicContact CG2-CG2 3.95Å; L263-T267 WeakPolarHBondContact O-CB 3.14Å; L263-T267 WeakPolarHBondContact O-CG2 3.37Å; L263-T267 PolarHBondContact O-N 3.25Å; L263-T267 PolarHBondContact O-OG1 3.22Å; L265-T267 PolarHBondContact O-N 3.19Å; T267-A269 PolarHBondContact O-N 2.87Å
268S85Confident86.8Confident33 Ų3352.4 Ų52.423%0.23131%0.308CS..  trans-76.8123.7-179.6178.80000112.2S264 L265 T270 M271 N272S264-S268 WeakPolarHBondContact O-CB 3.29Å; S264-S268 PolarHBondContact O-N 3.37Å; L265-S268 VanDerWaalsContact O-CB 3.31Å; L265-S268 WeakPolarHBondContact O-CB 3.44Å; L265-S268 PolarHBondContact O-N 3.34Å; S268-T270 PolarHBondContact O-N 2.68Å; S268-T270 PolarHBondContact OG-N 3.31Å; S268-T270 PolarHBondContact OG-OG1 3.14Å; S268-T270 VanDerWaalsContact OG-OG1 3.12Å; S268-M271 PolarHBondContact O-N 3.07Å; S268-M271 PolarHBondContact OG-N 3.25Å; S268-N272 PolarHBondContact O-N 3.45Å
269A74.4Confident86.7Confident108 Ų10847.2 Ų47.289%0.89328%0.284SS*.THydrogen-bonded Turntrans-61.6-10.1173.400000114.5T267T267-A269 PolarHBondContact O-N 2.87Å
270T70.5Confident86.7Confident110 Ų11047.3 Ų47.368%0.67528%0.284SS*.THydrogen-bonded Turntrans-115.1-11.3179.758.40000114.5S268S268-T270 PolarHBondContact O-N 2.68Å; S268-T270 PolarHBondContact OG-N 3.31Å; S268-T270 PolarHBondContact OG-OG1 3.14Å; S268-T270 VanDerWaalsContact OG-OG1 3.12Å
271M62.2Low86.5Confident96 Ų9648.5 Ų48.547%0.47329%0.291SS..  trans-144.138.8-168.2-71.4-65.9156.200113.4L265 S268 F273L265-M271 HydrophobicContact CD2-CB 4.43Å; S268-M271 PolarHBondContact O-N 3.07Å; S268-M271 PolarHBondContact OG-N 3.25Å; M271-F273 HydrophobicContact CB-CD1 4.33Å; M271-F273 HydrophobicContact CB-CE1 4.11Å; M271-F273 VanDerWaalsContact O-CD1 3.22Å; M271-F273 WeakPolarHBondContact O-CD1 3.4Å; M271-F273 PolarHBondContact O-N 3.22Å; M271-F273 HydrophobicContact SD-CE1 4.32Å
272N66.3Low86.5Confident123 Ų12351.3 Ų51.366%0.65830%0.295SS*.  trans-7540.2-175.868.3-30.9000115.5S268 L274S268-N272 PolarHBondContact O-N 3.45Å; N272-L274 PolarHBondContact O-N 2.9Å
273F75.9Confident86.5Confident79 Ų7949.8 Ų49.835%0.34629%0.287SS..  trans-82.55.6178.463.3-96.8000114.2L265 M271 T748L265-F273 HydrophobicContact CD1-CZ 4.3Å; L265-F273 HydrophobicContact CD2-CZ 4.45Å; M271-F273 HydrophobicContact CB-CD1 4.33Å; M271-F273 HydrophobicContact CB-CE1 4.11Å; M271-F273 VanDerWaalsContact O-CD1 3.22Å; M271-F273 WeakPolarHBondContact O-CD1 3.4Å; M271-F273 PolarHBondContact O-N 3.22Å; M271-F273 HydrophobicContact SD-CE1 4.32Å; F273-T748 HydrophobicContact CE2-CG2 3.84Å; F273-T748 HydrophobicContact CZ-CG2 3.92Å
274L80.3Confident86.5Confident26 Ų2652.4 Ų52.414%0.13630%0.297CS..SBendtrans-124.8130.5172.5-74.8164000107.6L265 A266 N272 V279L265-L274 HydrophobicContact CB-CD1 4.17Å; L265-L274 HydrophobicContact CD1-CD1 4.35Å; A266-L274 WeakPolarHBondContact CA-O 3.39Å; A266-L274 HydrophobicContact CB-CB 4.06Å; A266-L274 VanDerWaalsContact CB-O 3.32Å; A266-L274 WeakPolarHBondContact CB-O 3.39Å; N272-L274 PolarHBondContact O-N 2.9Å; L274-V279 HydrophobicContact CB-CG2 4.29Å
275S88.7Confident86.5Confident29 Ų2952.2 Ų52.220%0.20329%0.291CS..  trans-73.1154.5167.377.10000110S277 D278 V279S275-S277 PolarHBondContact O-N 2.9Å; S275-D278 WeakPolarHBondContact CB-OD2 3.49Å; S275-D278 PolarHBondContact N-OD2 2.96Å; S275-D278 PolarHBondContact O-N 3.18Å; S275-D278 WeakPolarHBondContact OG-CB 3.48Å; S275-D278 PolarHBondContact OG-N 2.83Å; S275-D278 PolarHBondContact OG-OD2 2.86Å; S275-V279 PolarHBondContact O-N 3.13Å
276L92.1Very high86.7Confident15 Ų1553.3 Ų53.38%0.07930%0.298CS..Hα-helixtrans-60-37.9173.6-175.362.2000110.9I208 L263 V279 F280 L354 L368I208-L276 HydrophobicContact CG1-CD2 4.21Å; L263-L276 HydrophobicContact CD2-CD1 3.45Å; L263-L276 VanDerWaalsContact CD2-CD1 3.45Å; L276-V279 PolarHBondContact O-N 3.36Å; L276-F280 HydrophobicContact CD1-CD2 4.44Å; L276-F280 HydrophobicContact CD1-CE2 4.03Å; L276-F280 HydrophobicContact CG-CD2 4.38Å; L276-F280 HydrophobicContact CG-CE2 4.17Å; L276-F280 WeakPolarHBondContact O-CD2 3.41Å; L276-F280 PolarHBondContact O-N 2.84Å; L276-L354 HydrophobicContact CD2-CD2 3.52Å; L276-L368 HydrophobicContact CD2-CD2 4.32Å
277S93.9Very high86.9Confident1 Ų152.5 Ų52.51%0.00729%0.291CS..Hα-helixtrans-59.1-46.8176.9-47.80000112.4S275 V279 F280 L281 D367 L368S275-S277 PolarHBondContact O-N 2.9Å; S277-V279 VanDerWaalsContact C-N 3.27Å; S277-V279 PolarHBondContact O-N 3.08Å; S277-F280 PolarHBondContact O-N 3.22Å; S277-L281 VanDerWaalsContact O-CG 3.31Å; S277-L281 WeakPolarHBondContact O-CG 3.4Å; S277-L281 PolarHBondContact O-N 3.08Å; S277-D367 VanDerWaalsContact OG-C 3.28Å; S277-L368 PolarHBondContact OG-N 3.39Å
278D92.7Very high87.1Confident63 Ų6351.2 Ų51.234%0.33728%0.282SS..Hα-helixtrans-57.4-39.2177.4-77.1-63.9000112.5S275 L281 K282S275-D278 WeakPolarHBondContact CB-OD2 3.49Å; S275-D278 PolarHBondContact N-OD2 2.96Å; S275-D278 PolarHBondContact O-N 3.18Å; S275-D278 WeakPolarHBondContact OG-CB 3.48Å; S275-D278 PolarHBondContact OG-N 2.83Å; S275-D278 PolarHBondContact OG-OD2 2.86Å; D278-L281 PolarHBondContact O-N 3.28Å; D278-K282 HydrophobicContact CB-CD 4.48Å; D278-K282 VanDerWaalsContact O-CB 3.31Å; D278-K282 WeakPolarHBondContact O-CB 3.47Å; D278-K282 WeakPolarHBondContact O-CD 3.43Å; D278-K282 WeakPolarHBondContact O-CG 3.47Å; D278-K282 PolarHBondContact O-N 3.2Å
279V95.8Very high87.4Confident2 Ų250.9 Ų50.91%0.01228%0.278CS..Hα-helixtrans-66-45.2-177.4177.20000110.5F259 N262 L263 A266 L274 S275 L276 S277 T283F259-V279 HydrophobicContact CD2-CG1 3.73Å; F259-V279 HydrophobicContact CE2-CG1 3.75Å; N262-V279 HydrophobicContact CB-CB 4.46Å; N262-V279 HydrophobicContact CB-CG1 3.62Å; N262-V279 HydrophobicContact CB-CG2 4.02Å; L263-V279 HydrophobicContact CD2-CB 4.33Å; L263-V279 HydrophobicContact CD2-CG1 3.79Å; L263-V279 HydrophobicContact CG-CG1 3.93Å; A266-V279 HydrophobicContact CB-CG2 3.85Å; L274-V279 HydrophobicContact CB-CG2 4.29Å; S275-V279 PolarHBondContact O-N 3.13Å; L276-V279 PolarHBondContact O-N 3.36Å; S277-V279 VanDerWaalsContact C-N 3.27Å; S277-V279 PolarHBondContact O-N 3.08Å; V279-T283 WeakPolarHBondContact O-CB 3.24Å; V279-T283 PolarHBondContact O-N 2.86Å; V279-T283 PolarHBondContact O-OG1 3.09Å
280F97.1Very high88.4Confident1 Ų145.8 Ų45.80%0.00424%0.235CC..Hα-helixtrans-64-41.8173.3-79.7-81.2000112.5I211 F259 L263 L276 S277 T283 R284 Y347 L351 A371 M375I211-F280 HydrophobicContact CG2-CE2 4.4Å; I211-F280 HydrophobicContact CG2-CZ 4Å; F259-F280 HydrophobicContact CE2-CD1 4.12Å; F259-F280 HydrophobicContact CE2-CE1 4.36Å; F259-F280 HydrophobicContact CE2-CG 4.4Å; F259-F280 AromaticContact CZ-CD1 3.78Å; F259-F280 HydrophobicContact CZ-CD1 3.78Å; F259-F280 AromaticContact CZ-CE1 3.59Å; F259-F280 HydrophobicContact CZ-CE1 3.59Å; F259-F280 HydrophobicContact CZ-CG 4.39Å; F259-F280 HydrophobicContact CZ-CZ 4.01Å; L263-F280 HydrophobicContact CD2-CE2 4.07Å; L276-F280 HydrophobicContact CD1-CD2 4.44Å; L276-F280 HydrophobicContact CD1-CE2 4.03Å; L276-F280 HydrophobicContact CG-CD2 4.38Å; L276-F280 HydrophobicContact CG-CE2 4.17Å; L276-F280 WeakPolarHBondContact O-CD2 3.41Å; L276-F280 PolarHBondContact O-N 2.84Å; S277-F280 PolarHBondContact O-N 3.22Å; F280-T283 PolarHBondContact O-N 2.86Å; F280-R284 PolarHBondContact O-N 3.35Å; F280-Y347 AromaticContact CE1-CD1 3.82Å; F280-Y347 HydrophobicContact CE1-CD1 3.82Å; F280-Y347 HydrophobicContact CE1-CG 4.25Å; F280-Y347 HydrophobicContact CZ-CD1 4.48Å; F280-L351 HydrophobicContact CB-CD1 4.41Å; F280-L351 HydrophobicContact CD1-CD1 3.81Å; F280-L351 HydrophobicContact CD2-CD1 4.11Å; F280-L351 HydrophobicContact CD2-CD2 3.93Å; F280-L351 HydrophobicContact CD2-CG 4.46Å; F280-L351 HydrophobicContact CE1-CD1 3.98Å; F280-L351 HydrophobicContact CE1-CG 4.24Å; F280-L351 HydrophobicContact CE2-CD1 4.31Å; F280-L351 HydrophobicContact CE2-CD2 3.68Å; F280-L351 HydrophobicContact CE2-CG 4.22Å; F280-L351 HydrophobicContact CG-CD1 3.86Å; F280-L351 HydrophobicContact CZ-CD1 4.24Å; F280-L351 HydrophobicContact CZ-CD2 4.02Å; F280-L351 HydrophobicContact CZ-CG 4.09Å; F280-A371 HydrophobicContact CB-CB 4.05Å; F280-M375 HydrophobicContact CB-CE 4.3Å; F280-M375 HydrophobicContact CD1-CE 4.39Å; F280-M375 HydrophobicContact CD1-CG 3.66Å; F280-M375 HydrophobicContact CD1-SD 3.72Å; F280-M375 HydrophobicContact CE1-CG 4.25Å; F280-M375 HydrophobicContact CE1-SD 4.43Å; F280-M375 HydrophobicContact CG-CG 4.44Å; F280-M375 VanDerWaalsContact O-CE 3.23Å; F280-M375 WeakPolarHBondContact O-CE 3.47Å
281L94.2Very high89.2Confident53 Ų5340.6 Ų40.628%0.27720%0.203SC..Hα-helixtrans-68-38.5-179-70.1170.8000113S277 D278 R284 V370 A371 A374S277-L281 VanDerWaalsContact O-CG 3.31Å; S277-L281 WeakPolarHBondContact O-CG 3.4Å; S277-L281 PolarHBondContact O-N 3.08Å; D278-L281 PolarHBondContact O-N 3.28Å; L281-R284 WeakPolarHBondContact O-CB 3.41Å; L281-V370 HydrophobicContact CD1-CG1 4.31Å; L281-V370 HydrophobicContact CD2-CG1 4.12Å; L281-A371 HydrophobicContact CG-CB 4.27Å; L281-A374 HydrophobicContact CD2-CB 3.6Å
282K93.5Very high90.4Very high122 Ų12241.2 Ų41.253%0.5321%0.205SC..Hα-helixtrans-69.3-36.4176.6-72.1165.6-172.4172.30112.5D278D278-K282 HydrophobicContact CB-CD 4.48Å; D278-K282 VanDerWaalsContact O-CB 3.31Å; D278-K282 WeakPolarHBondContact O-CB 3.47Å; D278-K282 WeakPolarHBondContact O-CD 3.43Å; D278-K282 WeakPolarHBondContact O-CG 3.47Å; D278-K282 PolarHBondContact O-N 3.2Å
283T95.5Very high91.7Very high6 Ų635.7 Ų35.74%0.03718%0.175CC..Hα-helixtrans-84.4-17-179.3-620000113.4I255 F259 V279 F280 D285 N286 L287I255-T283 HydrophobicContact CG2-CG2 4.17Å; F259-T283 HydrophobicContact CB-CG2 4.09Å; F259-T283 HydrophobicContact CD2-CG2 3.68Å; F259-T283 WeakPolarHBondContact CD2-OG1 3.39Å; F259-T283 HydrophobicContact CE2-CG2 4.3Å; F259-T283 HydrophobicContact CG-CG2 3.98Å; V279-T283 WeakPolarHBondContact O-CB 3.24Å; V279-T283 PolarHBondContact O-N 2.86Å; V279-T283 PolarHBondContact O-OG1 3.09Å; F280-T283 PolarHBondContact O-N 2.86Å; T283-D285 PolarHBondContact O-N 3.27Å; T283-N286 WeakPolarHBondContact O-CB 3.44Å; T283-N286 PolarHBondContact O-N 3.33Å; T283-N286 VanDerWaalsContact O-N 3.08Å; T283-L287 HydrophobicContact CG2-CD1 4.29Å; T283-L287 HydrophobicContact CG2-CD2 4.13Å; T283-L287 HydrophobicContact CG2-CG 3.96Å; T283-L287 PolarHBondContact O-N 3.37Å
284R94.2Very high92.3Very high54 Ų5432.8 Ų32.820%0.20416%0.164CC..THydrogen-bonded Turntrans-41.6-56.6-178.2-176.7-165.962.6-170.6-10.9114.4F280 L281 N286 L287 A374 M375 V378 Y544F280-R284 PolarHBondContact O-N 3.35Å; L281-R284 WeakPolarHBondContact O-CB 3.41Å; R284-N286 VanDerWaalsContact C-N 3.31Å; R284-N286 PolarHBondContact O-N 2.72Å; R284-L287 WeakPolarHBondContact O-CB 3.23Å; R284-L287 PolarHBondContact O-N 2.92Å; R284-L287 VanDerWaalsContact O-N 3.14Å; R284-A374 HydrophobicContact CG-CB 4.31Å; R284-M375 HydrophobicContact CB-CE 3.74Å; R284-M375 HydrophobicContact CG-CE 3.96Å; R284-V378 HydrophobicContact CG-CG2 3.59Å; R284-Y544 PolarHBondContact NE-OH 3Å; R284-Y544 VanDerWaalsContact NH2-CZ 3.33Å; R284-Y544 PolarHBondContact NH2-OH 3.1Å
285D92.9Very high92.3Very high49 Ų4933.1 Ų33.126%0.26217%0.174SC..THydrogen-bonded Turntrans-69.5-31.4-172.8-67.759.9000111.9T283 L287 L288 Y544T283-D285 PolarHBondContact O-N 3.27Å; D285-L287 VanDerWaalsContact C-N 3.29Å; D285-L287 PolarHBondContact O-N 3.18Å; D285-L288 WeakPolarHBondContact O-CB 3.44Å; D285-L288 PolarHBondContact O-N 3.34Å; D285-Y544 PolarHBondContact OD1-OH 2.96Å; D285-Y544 WeakPolarHBondContact OD2-CE2 3.3Å; D285-Y544 PolarHBondContact OD2-OH 3.19Å
286N94.8Very high92.3Very high78 Ų7833 Ų3342%0.41717%0.17SC..G310 helixtrans-67.4-29.7174-62-5.2000111.7I255 T283 R284 L288 I289I255-N286 HydrophobicContact CD1-CB 4.31Å; I255-N286 HydrophobicContact CG1-CB 4.34Å; I255-N286 HydrophobicContact CG2-CB 4.03Å; T283-N286 WeakPolarHBondContact O-CB 3.44Å; T283-N286 PolarHBondContact O-N 3.33Å; T283-N286 VanDerWaalsContact O-N 3.08Å; R284-N286 VanDerWaalsContact C-N 3.31Å; R284-N286 PolarHBondContact O-N 2.72Å; N286-L288 PolarHBondContact O-N 3.45Å; N286-I289 VanDerWaalsContact O-CG2 3.29Å; N286-I289 WeakPolarHBondContact O-CG2 3.41Å
287L96.1Very high92.2Very high0 Ų032.6 Ų32.60%017%0.168CC..G310 helixtrans-72.2-5.6175.4-59.7174000113.4I255 H256 T283 R284 D285 I289 Y290 Y347 M375 V378I255-L287 HydrophobicContact CG2-CD2 4.32Å; H256-L287 WeakPolarHBondContact NE2-CD2 3.42Å; T283-L287 HydrophobicContact CG2-CD1 4.29Å; T283-L287 HydrophobicContact CG2-CD2 4.13Å; T283-L287 HydrophobicContact CG2-CG 3.96Å; T283-L287 PolarHBondContact O-N 3.37Å; R284-L287 WeakPolarHBondContact O-CB 3.23Å; R284-L287 PolarHBondContact O-N 2.92Å; R284-L287 VanDerWaalsContact O-N 3.14Å; D285-L287 VanDerWaalsContact C-N 3.29Å; D285-L287 PolarHBondContact O-N 3.18Å; L287-I289 PolarHBondContact O-N 2.94Å; L287-Y290 HydrophobicContact CB-CD2 4.4Å; L287-Y290 HydrophobicContact CD2-CD2 4.35Å; L287-Y290 HydrophobicContact CD2-CE2 3.82Å; L287-Y290 WeakPolarHBondContact O-CB 3.16Å; L287-Y290 VanDerWaalsContact O-CD2 3.28Å; L287-Y290 WeakPolarHBondContact O-CD2 3.48Å; L287-Y290 PolarHBondContact O-N 3.4Å; L287-Y347 HydrophobicContact CD1-CD2 4.39Å; L287-Y347 HydrophobicContact CD1-CE2 4.46Å; L287-M375 HydrophobicContact CD1-CE 4.24Å; L287-M375 HydrophobicContact CD1-SD 3.74Å; L287-V378 HydrophobicContact CB-CG1 3.84Å; L287-V378 HydrophobicContact CB-CG2 4.47Å
288L92.5Very high91.6Very high28 Ų2835.4 Ų35.415%0.14718%0.181CC..G310 helixtrans-74.6-14.9177.6-61.9172.8000112.8D285 N286 Y290 G291 V378 P542 L551D285-L288 WeakPolarHBondContact O-CB 3.44Å; D285-L288 PolarHBondContact O-N 3.34Å; N286-L288 PolarHBondContact O-N 3.45Å; L288-Y290 PolarHBondContact O-N 2.91Å; L288-Y290 VanDerWaalsContact O-N 3.16Å; L288-G291 PolarHBondContact O-N 2.93Å; L288-V378 HydrophobicContact CD2-CB 4.43Å; L288-V378 HydrophobicContact CD2-CG1 4.44Å; L288-V378 HydrophobicContact CD2-CG2 4.05Å; L288-P542 HydrophobicContact CB-CG 4.48Å; L288-P542 HydrophobicContact CD1-CB 3.6Å; L288-P542 HydrophobicContact CD1-CG 3.52Å; L288-L551 HydrophobicContact CD1-CD1 4.13Å; L288-L551 HydrophobicContact CD1-CD2 3.84Å; L288-L551 HydrophobicContact CD2-CD2 3.69Å; L288-L551 HydrophobicContact CG-CD2 4.45Å
289I92.6Very high91.3Very high26 Ų2637.1 Ų37.113%0.13319%0.187CC..G310 helixtrans-58.4-23.9169.8-161.7172.1000113.1Y248 E251 L252 I255 N286 L287 G291 E292 Y293Y248-I289 HydrophobicContact CD1-CD1 3.89Å; Y248-I289 HydrophobicContact CD1-CG1 3.96Å; Y248-I289 HydrophobicContact CE1-CD1 4.38Å; Y248-I289 HydrophobicContact CE1-CG1 4.23Å; E251-I289 HydrophobicContact CB-CD1 4.34Å; E251-I289 HydrophobicContact CG-CD1 3.74Å; E251-I289 VanDerWaalsContact OE2-CD1 3.25Å; E251-I289 WeakPolarHBondContact OE2-CD1 3.49Å; L252-I289 HydrophobicContact CD2-CG2 3.78Å; I255-I289 HydrophobicContact CD1-CG2 3.95Å; N286-I289 VanDerWaalsContact O-CG2 3.29Å; N286-I289 WeakPolarHBondContact O-CG2 3.41Å; L287-I289 PolarHBondContact O-N 2.94Å; I289-G291 PolarHBondContact O-N 3.37Å; I289-G291 VanDerWaalsContact O-N 3.14Å; I289-E292 PolarHBondContact O-N 2.99Å; I289-E292 VanDerWaalsContact O-N 3.1Å; I289-Y293 PolarHBondContact O-N 2.91Å
290Y93.9Very high91.2Very high0 Ų037.2 Ų37.20%019%0.188CC..Hα-helixtrans-60-23.3174.4-81.2-92.5000112.9Y218 L252 H256 L287 L288 Y293 C294 P340 V344 I382Y218-Y290 PolarHBondContact OH-OH 2.86Å; L252-Y290 HydrophobicContact CD1-CE1 4.39Å; L252-Y290 HydrophobicContact CD2-CD1 4.45Å; L252-Y290 HydrophobicContact CD2-CD2 3.92Å; L252-Y290 HydrophobicContact CD2-CE1 4.03Å; L252-Y290 HydrophobicContact CD2-CE2 3.45Å; L252-Y290 VanDerWaalsContact CD2-CE2 3.45Å; L252-Y290 HydrophobicContact CD2-CG 4.41Å; H256-Y290 PolarHBondContact CD2-OH 3.49Å; H256-Y290 PolarHBondContact CE1-OH 3.03Å; H256-Y290 AromaticContact NE2-CE2 3.34Å; H256-Y290 VanDerWaalsContact NE2-CE2 3.34Å; H256-Y290 WeakPolarHBondContact NE2-CE2 3.23Å; H256-Y290 AromaticContact NE2-CZ 3.46Å; H256-Y290 PolarHBondContact NE2-OH 2.87Å; L287-Y290 HydrophobicContact CB-CD2 4.4Å; L287-Y290 HydrophobicContact CD2-CD2 4.35Å; L287-Y290 HydrophobicContact CD2-CE2 3.82Å; L287-Y290 WeakPolarHBondContact O-CB 3.16Å; L287-Y290 VanDerWaalsContact O-CD2 3.28Å; L287-Y290 WeakPolarHBondContact O-CD2 3.48Å; L287-Y290 PolarHBondContact O-N 3.4Å; L288-Y290 PolarHBondContact O-N 2.91Å; L288-Y290 VanDerWaalsContact O-N 3.16Å; Y290-Y293 PolarHBondContact O-N 3.4Å; Y290-C294 WeakPolarHBondContact O-CB 3.25Å; Y290-C294 PolarHBondContact O-N 2.86Å; Y290-C294 PolarHBondContact O-SG 2.93Å; Y290-P340 HydrophobicContact CD1-CB 4.49Å; Y290-P340 HydrophobicContact CE1-CB 3.72Å; Y290-P340 VanDerWaalsContact CE1-O 3.25Å; Y290-P340 WeakPolarHBondContact CE1-O 3.48Å; Y290-V344 HydrophobicContact CD1-CB 3.81Å; Y290-V344 HydrophobicContact CD1-CG1 3.53Å; Y290-V344 HydrophobicContact CD1-CG2 4.34Å; Y290-V344 HydrophobicContact CD2-CB 4.19Å; Y290-V344 HydrophobicContact CD2-CG2 3.93Å; Y290-V344 HydrophobicContact CE1-CB 3.85Å; Y290-V344 HydrophobicContact CE1-CG1 3.96Å; Y290-V344 HydrophobicContact CE2-CB 4.23Å; Y290-V344 HydrophobicContact CE2-CG2 4.2Å; Y290-V344 HydrophobicContact CG-CB 3.97Å; Y290-V344 HydrophobicContact CG-CG1 3.87Å; Y290-V344 HydrophobicContact CG-CG2 3.98Å; Y290-I382 HydrophobicContact CG-CD1 4.41Å
291G88.1Confident90.8Very high1 Ų138 Ų381%0.0119%0.192CC..Hα-helixtrans-61.2-52171.400000112L288 I289 Y293 C294 G295 V385L288-G291 PolarHBondContact O-N 2.93Å; I289-G291 PolarHBondContact O-N 3.37Å; I289-G291 VanDerWaalsContact O-N 3.14Å; G291-Y293 VanDerWaalsContact C-N 3.33Å; G291-Y293 PolarHBondContact O-N 3.32Å; G291-C294 PolarHBondContact O-N 3.06Å; G291-G295 PolarHBondContact O-N 3.06Å; G291-V385 VanDerWaalsContact C-CG1 3.46Å; G291-V385 WeakPolarHBondContact O-CG1 3.39Å
292E87.6Confident90.4Very high110 Ų11037.1 Ų37.151%0.51419%0.187SC..Hα-helixtrans-62.1-42175.2-64.3-164.5-170.600111.6Y248 I289 C294 G295 H296Y248-E292 HydrophobicContact CE1-CB 3.93Å; Y248-E292 WeakPolarHBondContact CE1-OE2 3.48Å; Y248-E292 PolarHBondContact OH-OE2 3.17Å; I289-E292 PolarHBondContact O-N 2.99Å; I289-E292 VanDerWaalsContact O-N 3.1Å; E292-C294 VanDerWaalsContact C-N 3.35Å; E292-C294 PolarHBondContact O-N 3.41Å; E292-G295 PolarHBondContact O-N 3.3Å; E292-G295 VanDerWaalsContact O-N 3.16Å; E292-H296 WeakPolarHBondContact O-CB 3.35Å; E292-H296 PolarHBondContact O-N 3.37Å
293Y93.6Very high90.3Very high7 Ų732.7 Ų32.73%0.02717%0.169CC..Hα-helixtrans-60.2-42.2178-175.9-109.4000112.8Y248 I249 L252 I289 Y290 G291 G295 H296 L297 L337 P340 I341Y248-Y293 AromaticContact CD2-CD2 3.97Å; Y248-Y293 HydrophobicContact CD2-CD2 3.97Å; Y248-Y293 HydrophobicContact CG-CD2 4.13Å; I249-Y293 HydrophobicContact CD1-CE2 3.81Å; I249-Y293 WeakPolarHBondContact CD1-OH 3.38Å; L252-Y293 HydrophobicContact CD1-CD1 4.32Å; L252-Y293 HydrophobicContact CD1-CD2 4.21Å; L252-Y293 HydrophobicContact CD1-CE2 4.4Å; L252-Y293 HydrophobicContact CD1-CG 4.13Å; I289-Y293 PolarHBondContact O-N 2.91Å; Y290-Y293 PolarHBondContact O-N 3.4Å; G291-Y293 VanDerWaalsContact C-N 3.33Å; G291-Y293 PolarHBondContact O-N 3.32Å; Y293-G295 VanDerWaalsContact C-N 3.26Å; Y293-G295 PolarHBondContact O-N 2.91Å; Y293-H296 PolarHBondContact O-N 3.26Å; Y293-L297 WeakPolarHBondContact O-CB 3.45Å; Y293-L297 PolarHBondContact O-N 3.11Å; Y293-L337 PolarHBondContact OH-O 3Å; Y293-P340 HydrophobicContact CD1-CB 4.12Å; Y293-P340 HydrophobicContact CE1-CB 3.59Å; Y293-P340 HydrophobicContact CE1-CG 3.84Å; Y293-I341 HydrophobicContact CD1-CG1 4.14Å; Y293-I341 HydrophobicContact CE1-CG1 4.17Å
294C87.8Confident90.2Very high17 Ų1732.5 Ų32.512%0.11517%0.168CC..Hα-helixtrans-62.1-35.3177-71.10000112.3Y290 G291 E292 I341 I382Y290-C294 WeakPolarHBondContact O-CB 3.25Å; Y290-C294 PolarHBondContact O-N 2.86Å; Y290-C294 PolarHBondContact O-SG 2.93Å; G291-C294 PolarHBondContact O-N 3.06Å; E292-C294 VanDerWaalsContact C-N 3.35Å; E292-C294 PolarHBondContact O-N 3.41Å; C294-I341 HydrophobicContact CB-CD1 4.16Å; C294-I341 VanDerWaalsContact SG-CD1 3.53Å; C294-I382 HydrophobicContact CB-CG2 4.39Å; C294-I382 WeakPolarHBondContact SG-CG2 3.32Å
295G81.3Confident89.9Confident33 Ų3335.2 Ų35.234%0.3418%0.179SC..Hα-helixtrans-68.4-41.6172.400000113.7G291 E292 Y293 L389G291-G295 PolarHBondContact O-N 3.06Å; E292-G295 PolarHBondContact O-N 3.3Å; E292-G295 VanDerWaalsContact O-N 3.16Å; Y293-G295 VanDerWaalsContact C-N 3.26Å; Y293-G295 PolarHBondContact O-N 2.91Å; G295-L389 VanDerWaalsContact CA-CD1 3.43Å
296H88Confident89.7Confident26 Ų2638.3 Ų38.312%0.1219%0.192CC..Hα-helixtrans-75.5-30-176.8-15795.2000113E244 K247 Y248 E292 Y293 Q298 H299 A300E244-H296 PolarHBondContact O-CD2 2.95Å; E244-H296 PolarHBondContact O-NE2 3.3Å; E244-H296 IonicContact OE2-CE1 3.95Å; E244-H296 PolarHBondContact OE2-CE1 3.27Å; E244-H296 IonicContact OE2-NE2 2.84Å; E244-H296 PolarHBondContact OE2-NE2 3.38Å; K247-H296 VanDerWaalsContact CD-CE1 3.42Å; K247-H296 WeakPolarHBondContact CD-CE1 3.34Å; K247-H296 PolarHBondContact NZ-ND1 2.97Å; Y248-H296 HydrophobicContact CD2-CB 4.1Å; Y248-H296 HydrophobicContact CE2-CB 3.64Å; Y248-H296 AromaticContact CE2-CG 3.7Å; Y248-H296 AromaticContact CE2-ND1 3.86Å; E292-H296 WeakPolarHBondContact O-CB 3.35Å; E292-H296 PolarHBondContact O-N 3.37Å; Y293-H296 PolarHBondContact O-N 3.26Å; H296-Q298 PolarHBondContact O-N 2.84Å; H296-H299 PolarHBondContact O-N 3.23Å; H296-H299 VanDerWaalsContact O-N 3.08Å; H296-A300 PolarHBondContact O-N 3.33Å; H296-A300 VanDerWaalsContact O-N 3.09Å
297L90Very high89.5Confident8 Ų834.9 Ų34.94%0.04217%0.174CC..Hα-helixtrans-55.2-46.2-172.3176.863000113.1Y293 H299 A300 Q301 L337 I341Y293-L297 WeakPolarHBondContact O-CB 3.45Å; Y293-L297 PolarHBondContact O-N 3.11Å; L297-H299 VanDerWaalsContact C-N 3.27Å; L297-H299 PolarHBondContact O-N 2.91Å; L297-A300 PolarHBondContact O-N 3.28Å; L297-Q301 HydrophobicContact CD1-CG 3.77Å; L297-Q301 HydrophobicContact CG-CG 4.11Å; L297-Q301 WeakPolarHBondContact O-CB 3.38Å; L297-Q301 WeakPolarHBondContact O-CG 3.49Å; L297-Q301 PolarHBondContact O-N 3.49Å; L297-L337 HydrophobicContact CD1-CB 3.54Å; L297-L337 VanDerWaalsContact CD1-O 3.23Å; L297-L337 WeakPolarHBondContact CD1-O 3.4Å; L297-I341 HydrophobicContact CB-CD1 4.35Å; L297-I341 HydrophobicContact CD2-CD1 3.33Å; L297-I341 HydrophobicContact CD2-CG1 4.14Å; L297-I341 HydrophobicContact CG-CD1 4.45Å
298Q81.9Confident89.2Confident59 Ų5936.9 Ų36.928%0.27618%0.183SC..Hα-helixtrans-62-38.5-178.4-173.172.657.100110.7D59 H296 Q301 N302D59-Q298 PolarHBondContact OD2-NE2 2.87Å; H296-Q298 PolarHBondContact O-N 2.84Å; Q298-Q301 PolarHBondContact O-N 3.12Å; Q298-N302 PolarHBondContact NE2-OD1 3.36Å; Q298-N302 WeakPolarHBondContact O-CB 3.46Å; Q298-N302 PolarHBondContact O-N 3.5Å; Q298-N302 PolarHBondContact O-ND2 2.75Å; Q298-N302 PolarHBondContact O-OD1 2.98Å
299H86.1Confident89Confident99 Ų9944.3 Ų44.346%0.45821%0.21SC..Hα-helixtrans-65.1-45175.7-172.451.4000111.9E244 H296 L297 Q301 N302 L303E244-H299 IonicContact OE2-CD2 3.59Å; E244-H299 PolarHBondContact OE2-CD2 2.62Å; E244-H299 IonicContact OE2-NE2 2.72Å; H296-H299 PolarHBondContact O-N 3.23Å; H296-H299 VanDerWaalsContact O-N 3.08Å; L297-H299 VanDerWaalsContact C-N 3.27Å; L297-H299 PolarHBondContact O-N 2.91Å; H299-Q301 PolarHBondContact O-N 3.03Å; H299-N302 PolarHBondContact O-N 3.05Å; H299-L303 WeakPolarHBondContact O-CB 3.18Å; H299-L303 PolarHBondContact O-N 3.38Å
300A92.7Very high88.9Confident4 Ų448 Ų483%0.03323%0.23CC..Hα-helixtrans-59.9-43.3175.400000112.6H296 L297 L303 V304H296-A300 PolarHBondContact O-N 3.33Å; H296-A300 VanDerWaalsContact O-N 3.09Å; L297-A300 PolarHBondContact O-N 3.28Å; A300-L303 PolarHBondContact O-N 3.29Å; A300-V304 WeakPolarHBondContact O-CG2 3.48Å; A300-V304 PolarHBondContact O-N 3.22Å
301Q90.6Very high88.8Confident17 Ų1750.4 Ų50.48%0.07924%0.243CC..Hα-helixtrans-65.2-46.9176.7-73178.6-43.800111.7L297 Q298 H299 L303 V304 Y305 A334 T338L297-Q301 HydrophobicContact CD1-CG 3.77Å; L297-Q301 HydrophobicContact CG-CG 4.11Å; L297-Q301 WeakPolarHBondContact O-CB 3.38Å; L297-Q301 WeakPolarHBondContact O-CG 3.49Å; L297-Q301 PolarHBondContact O-N 3.49Å; Q298-Q301 PolarHBondContact O-N 3.12Å; H299-Q301 PolarHBondContact O-N 3.03Å; Q301-L303 VanDerWaalsContact C-N 3.3Å; Q301-L303 PolarHBondContact O-N 3.01Å; Q301-V304 PolarHBondContact O-N 2.77Å; Q301-Y305 HydrophobicContact CB-CE2 4.17Å; Q301-Y305 WeakPolarHBondContact O-CD2 2.96Å; Q301-Y305 PolarHBondContact O-N 3.33Å; Q301-A334 HydrophobicContact CB-CB 4.46Å; Q301-A334 HydrophobicContact CG-CB 4.23Å; Q301-A334 PolarHBondContact NE2-O 2.81Å; Q301-T338 PolarHBondContact NE2-OG1 3.37Å
302N84.9Confident89Confident35 Ų3554.3 Ų54.319%0.18727%0.266CS..Hα-helixtrans-56.4-45.3176.2-63.3-10.6000111.2S62 Q298 H299 Y305 E306S62-N302 WeakPolarHBondContact CA-ND2 3.43Å; S62-N302 VanDerWaalsContact CB-CG 3.46Å; S62-N302 WeakPolarHBondContact CB-ND2 3.42Å; S62-N302 WeakPolarHBondContact CB-OD1 3.19Å; Q298-N302 PolarHBondContact NE2-OD1 3.36Å; Q298-N302 WeakPolarHBondContact O-CB 3.46Å; Q298-N302 PolarHBondContact O-N 3.5Å; Q298-N302 PolarHBondContact O-ND2 2.75Å; Q298-N302 PolarHBondContact O-OD1 2.98Å; H299-N302 PolarHBondContact O-N 3.05Å; N302-Y305 PolarHBondContact O-N 2.83Å; N302-E306 WeakPolarHBondContact O-CB 3.44Å; N302-E306 PolarHBondContact O-N 3.27Å
303L92Very high89.3Confident29 Ų2956 Ų5615%0.15227%0.274CS..Hα-helixtrans-65.7-40.2179.2-178.656.8000112E241 E244 I245 H299 A300 Q301 E306 I307E241-L303 HydrophobicContact CG-CD2 4.46Å; E244-L303 HydrophobicContact CB-CD2 3.65Å; E244-L303 HydrophobicContact CG-CD2 4.43Å; I245-L303 HydrophobicContact CD1-CD2 4.45Å; I245-L303 HydrophobicContact CD1-CG 4.39Å; I245-L303 HydrophobicContact CG1-CD2 4.07Å; I245-L303 HydrophobicContact CG1-CG 4.31Å; H299-L303 WeakPolarHBondContact O-CB 3.18Å; H299-L303 PolarHBondContact O-N 3.38Å; A300-L303 PolarHBondContact O-N 3.29Å; Q301-L303 VanDerWaalsContact C-N 3.3Å; Q301-L303 PolarHBondContact O-N 3.01Å; L303-E306 PolarHBondContact O-N 3.34Å; L303-I307 HydrophobicContact CD1-CD1 4Å; L303-I307 HydrophobicContact CD1-CG1 4.24Å; L303-I307 HydrophobicContact CG-CD1 3.93Å; L303-I307 WeakPolarHBondContact O-CB 3.23Å; L303-I307 WeakPolarHBondContact O-CD1 3.17Å; L303-I307 VanDerWaalsContact O-CG1 3.23Å; L303-I307 WeakPolarHBondContact O-CG1 3.31Å; L303-I307 PolarHBondContact O-N 2.71Å
304V93.1Very high89.4Confident2 Ų257.4 Ų57.41%0.01228%0.28CS..Hα-helixtrans-58.8-48.9170.9170.10000110.5I245 A300 Q301 E306 I307 M308 L333 A334I245-V304 HydrophobicContact CD1-CG2 3.83Å; I245-V304 HydrophobicContact CG1-CG2 3.98Å; I245-V304 HydrophobicContact CG2-CG2 3.85Å; A300-V304 WeakPolarHBondContact O-CG2 3.48Å; A300-V304 PolarHBondContact O-N 3.22Å; Q301-V304 PolarHBondContact O-N 2.77Å; V304-E306 PolarHBondContact O-N 2.75Å; V304-I307 PolarHBondContact O-N 3.34Å; V304-M308 HydrophobicContact CG1-CG 4.05Å; V304-M308 WeakPolarHBondContact O-CB 3.36Å; V304-M308 WeakPolarHBondContact O-CG 3.45Å; V304-M308 PolarHBondContact O-N 2.79Å; V304-L333 HydrophobicContact CG1-CB 4.4Å; V304-L333 HydrophobicContact CG1-CD2 4.45Å; V304-L333 HydrophobicContact CG2-CD2 4.02Å; V304-L333 HydrophobicContact CG2-CG 4.31Å; V304-A334 HydrophobicContact CB-CB 4.45Å; V304-A334 HydrophobicContact CG1-CB 4.08Å
305Y87.9Confident89.7Confident111 Ų11159.7 Ų59.744%0.43529%0.286SS..Hα-helixtrans-63.9-37.2178.7-62.4-47.9000113.1Q301 N302 M308 R309 A334Q301-Y305 HydrophobicContact CB-CE2 4.17Å; Q301-Y305 WeakPolarHBondContact O-CD2 2.96Å; Q301-Y305 PolarHBondContact O-N 3.33Å; N302-Y305 PolarHBondContact O-N 2.83Å; Y305-M308 PolarHBondContact O-N 3.19Å; Y305-R309 WeakPolarHBondContact O-CB 3.26Å; Y305-R309 PolarHBondContact O-N 3.05Å; Y305-A334 HydrophobicContact CD1-CB 4.27Å; Y305-A334 HydrophobicContact CE1-CB 3.51Å; Y305-A334 HydrophobicContact CE2-CB 4.2Å; Y305-A334 VanDerWaalsContact CZ-CB 3.47Å; Y305-A334 WeakPolarHBondContact OH-CB 3.44Å
306E87.6Confident90.3Very high114 Ų11462.3 Ų62.353%0.53329%0.293SS..Hα-helixtrans-64.4-47.2175.7-171.2179.1171.200111.3N302 L303 V304 M308 R309 N310N302-E306 WeakPolarHBondContact O-CB 3.44Å; N302-E306 PolarHBondContact O-N 3.27Å; L303-E306 PolarHBondContact O-N 3.34Å; V304-E306 PolarHBondContact O-N 2.75Å; E306-M308 PolarHBondContact O-N 2.95Å; E306-R309 PolarHBondContact O-N 3.41Å; E306-N310 VanDerWaalsContact CG-ND2 3.26Å; E306-N310 WeakPolarHBondContact CG-ND2 3.46Å; E306-N310 VanDerWaalsContact O-CB 3.31Å; E306-N310 WeakPolarHBondContact O-CB 3.2Å; E306-N310 PolarHBondContact O-N 3.43Å
307I91.8Very high90.7Very high7 Ų764.2 Ų64.24%0.03630%0.3CS..Hα-helixtrans-59-47.7174.7-69.8163.2000110.3L237 E241 I245 L303 V304 R309 N310 D311 K314 I318L237-I307 HydrophobicContact CD2-CD1 4.18Å; L237-I307 HydrophobicContact CD2-CG2 4.17Å; E241-I307 HydrophobicContact CB-CD1 4.35Å; E241-I307 HydrophobicContact CG-CD1 4.12Å; E241-I307 WeakPolarHBondContact OE1-CD1 3.42Å; I245-I307 HydrophobicContact CD1-CD1 3.91Å; L303-I307 HydrophobicContact CD1-CD1 4Å; L303-I307 HydrophobicContact CD1-CG1 4.24Å; L303-I307 HydrophobicContact CG-CD1 3.93Å; L303-I307 WeakPolarHBondContact O-CB 3.23Å; L303-I307 WeakPolarHBondContact O-CD1 3.17Å; L303-I307 VanDerWaalsContact O-CG1 3.23Å; L303-I307 WeakPolarHBondContact O-CG1 3.31Å; L303-I307 PolarHBondContact O-N 2.71Å; V304-I307 PolarHBondContact O-N 3.34Å; I307-R309 VanDerWaalsContact C-N 3.27Å; I307-R309 PolarHBondContact O-N 3.15Å; I307-N310 PolarHBondContact O-N 2.85Å; I307-D311 PolarHBondContact O-N 3.39Å; I307-K314 HydrophobicContact CG2-CB 3.44Å; I307-K314 VanDerWaalsContact CG2-CB 3.44Å; I307-K314 HydrophobicContact CG2-CD 3.81Å; I307-K314 HydrophobicContact CG2-CG 4.26Å; I307-I318 HydrophobicContact CG2-CD1 3.85Å
308M89.8Confident90.9Very high41 Ų4163.9 Ų63.920%0.20230%0.299CS..Hα-helixtrans-58.3-38.3177.5-61.3-104.876.200111.7V304 Y305 E306 R315 I318 E319V304-M308 HydrophobicContact CG1-CG 4.05Å; V304-M308 WeakPolarHBondContact O-CB 3.36Å; V304-M308 WeakPolarHBondContact O-CG 3.45Å; V304-M308 PolarHBondContact O-N 2.79Å; Y305-M308 PolarHBondContact O-N 3.19Å; E306-M308 PolarHBondContact O-N 2.95Å; M308-R315 HydrophobicContact CE-CB 3.99Å; M308-R315 HydrophobicContact CE-CG 3.79Å; M308-R315 VanDerWaalsContact O-CZ 3.24Å; M308-R315 PolarHBondContact O-NE 3.39Å; M308-R315 PolarHBondContact O-NH2 3.34Å; M308-I318 HydrophobicContact CE-CB 3.64Å; M308-I318 HydrophobicContact CE-CD1 4.09Å; M308-I318 HydrophobicContact CE-CG1 4.46Å; M308-I318 HydrophobicContact CE-CG2 3.62Å; M308-I318 HydrophobicContact SD-CG2 4.05Å; M308-E319 HydrophobicContact CE-CG 4.44Å
309R87.3Confident91.4Very high184 Ų18465.6 Ų65.669%0.69431%0.307SS*.Hα-helixtrans-74.2-47179-173.1179.8-177.9157.52.4112.5Y305 E306 I307 R315Y305-R309 WeakPolarHBondContact O-CB 3.26Å; Y305-R309 PolarHBondContact O-N 3.05Å; E306-R309 PolarHBondContact O-N 3.41Å; I307-R309 VanDerWaalsContact C-N 3.27Å; I307-R309 PolarHBondContact O-N 3.15Å; R309-R315 PolarHBondContact O-NH2 2.81Å
310N90.2Very high91.7Very high104 Ų10465.1 Ų65.156%0.55631%0.307SS*.Hα-helixtrans-97.4-27.8-161.9-64.6-15.3000114.2E306 I307E306-N310 VanDerWaalsContact CG-ND2 3.26Å; E306-N310 WeakPolarHBondContact CG-ND2 3.46Å; E306-N310 VanDerWaalsContact O-CB 3.31Å; E306-N310 WeakPolarHBondContact O-CB 3.2Å; E306-N310 PolarHBondContact O-N 3.43Å; I307-N310 PolarHBondContact O-N 2.85Å
311D92.5Very high91.7Very high51 Ų5165.1 Ų65.127%0.27331%0.307SS..  trans-120.1114.9-173.1-170.4-42.7000111.7I307 E313 K314 R315I307-D311 PolarHBondContact O-N 3.39Å; D311-E313 PolarHBondContact OD1-N 3.41Å; D311-K314 HydrophobicContact CB-CB 4Å; D311-K314 HydrophobicContact CB-CD 3.89Å; D311-K314 HydrophobicContact CB-CG 4.12Å; D311-K314 VanDerWaalsContact CG-CD 3.47Å; D311-K314 VanDerWaalsContact CG-CG 3.42Å; D311-K314 PolarHBondContact OD1-N 2.81Å; D311-K314 WeakPolarHBondContact OD2-CD 3.11Å; D311-K314 WeakPolarHBondContact OD2-CE 3.48Å; D311-K314 WeakPolarHBondContact OD2-CG 3.23Å; D311-K314 IonicContact OD2-NZ 3.18Å; D311-R315 WeakPolarHBondContact O-CB 3.47Å; D311-R315 PolarHBondContact O-N 3.43Å
312V92.9Very high91.7Very high83 Ų8366.3 Ų66.350%0.50331%0.312SS..Hα-helixtrans-74.1-34.1-175.9-172.40000112.1N316V312-N316 WeakPolarHBondContact O-CB 3.47Å; V312-N316 PolarHBondContact O-N 2.89Å; V312-N316 PolarHBondContact O-ND2 3.44Å; V312-N316 PolarHBondContact O-OD1 2.97Å
313E94.1Very high91.9Very high144 Ų14467.9 Ų67.967%0.67333%0.327SS*.Hα-helixtrans-73.3-47-179.2-175.6173.7173.900110.2D311 R315 N316 K317D311-E313 PolarHBondContact OD1-N 3.41Å; E313-R315 VanDerWaalsContact C-N 3.34Å; E313-R315 PolarHBondContact O-N 2.94Å; E313-N316 PolarHBondContact O-N 2.88Å; E313-K317 WeakPolarHBondContact O-CB 2.98Å; E313-K317 PolarHBondContact O-N 2.64Å
314K95.4Very high91.7Very high38 Ų3871 Ų7117%0.16534%0.343CS..Hα-helixtrans-62.1-40.9174.2-62.8177.4-177.1176.40111.5V236 L237 E241 I307 D311 K317 I318V236-K314 HydrophobicContact CG1-CG 4.18Å; L237-K314 HydrophobicContact CD2-CB 3.93Å; L237-K314 HydrophobicContact CD2-CD 3.55Å; L237-K314 HydrophobicContact CD2-CG 3.72Å; E241-K314 VanDerWaalsContact CD-NZ 3.28Å; E241-K314 IonicContact OE1-NZ 2.9Å; E241-K314 PolarHBondContact OE1-NZ 3.19Å; E241-K314 IonicContact OE2-NZ 2.6Å; E241-K314 PolarHBondContact OE2-NZ 3.03Å; I307-K314 HydrophobicContact CG2-CB 3.44Å; I307-K314 VanDerWaalsContact CG2-CB 3.44Å; I307-K314 HydrophobicContact CG2-CD 3.81Å; I307-K314 HydrophobicContact CG2-CG 4.26Å; D311-K314 HydrophobicContact CB-CB 4Å; D311-K314 HydrophobicContact CB-CD 3.89Å; D311-K314 HydrophobicContact CB-CG 4.12Å; D311-K314 VanDerWaalsContact CG-CD 3.47Å; D311-K314 VanDerWaalsContact CG-CG 3.42Å; D311-K314 PolarHBondContact OD1-N 2.81Å; D311-K314 WeakPolarHBondContact OD2-CD 3.11Å; D311-K314 WeakPolarHBondContact OD2-CE 3.48Å; D311-K314 WeakPolarHBondContact OD2-CG 3.23Å; D311-K314 IonicContact OD2-NZ 3.18Å; K314-K317 PolarHBondContact O-N 2.82Å; K314-I318 WeakPolarHBondContact O-CG1 3.17Å; K314-I318 PolarHBondContact O-N 2.95Å
315R94.3Very high91.1Very high64 Ų6471 Ų7124%0.24234%0.344CS..Hα-helixtrans-55.3-58.9173174.6-166.3-52.6135.211.2111.4M308 R309 D311 E313 K317 I318 E319M308-R315 HydrophobicContact CE-CB 3.99Å; M308-R315 HydrophobicContact CE-CG 3.79Å; M308-R315 VanDerWaalsContact O-CZ 3.24Å; M308-R315 PolarHBondContact O-NE 3.39Å; M308-R315 PolarHBondContact O-NH2 3.34Å; R309-R315 PolarHBondContact O-NH2 2.81Å; D311-R315 WeakPolarHBondContact O-CB 3.47Å; D311-R315 PolarHBondContact O-N 3.43Å; E313-R315 VanDerWaalsContact C-N 3.34Å; E313-R315 PolarHBondContact O-N 2.94Å; R315-K317 PolarHBondContact O-N 2.78Å; R315-K317 VanDerWaalsContact O-N 3.13Å; R315-I318 PolarHBondContact O-N 2.88Å; R315-E319 WeakPolarHBondContact CD-OE1 3.26Å; R315-E319 HydrophobicContact CG-CG 4.26Å; R315-E319 WeakPolarHBondContact CG-OE1 3.35Å; R315-E319 WeakPolarHBondContact O-CG 3.39Å; R315-E319 PolarHBondContact O-N 2.86Å
316N94Very high90.3Very high89 Ų8974.1 Ų74.148%0.47636%0.362SS..Hα-helixtrans-56.9-34-177.1-66.5-8.5000111.3V312 E313 L320V312-N316 WeakPolarHBondContact O-CB 3.47Å; V312-N316 PolarHBondContact O-N 2.89Å; V312-N316 PolarHBondContact O-ND2 3.44Å; V312-N316 PolarHBondContact O-OD1 2.97Å; E313-N316 PolarHBondContact O-N 2.88Å; N316-L320 VanDerWaalsContact O-CB 3.24Å; N316-L320 WeakPolarHBondContact O-CB 3.3Å; N316-L320 PolarHBondContact O-N 2.93Å
317K94.7Very high89.5Confident65 Ų6574.2 Ų74.228%0.28336%0.361SS..Hα-helixtrans-70.2-43.3175.1-172.469.3177.3-171.50113.2P232 L233 V236 E313 K314 R315 L320 C321P232-K317 WeakPolarHBondContact O-CE 3.19Å; P232-K317 PolarHBondContact O-NZ 3.44Å; L233-K317 HydrophobicContact CD2-CB 4.33Å; L233-K317 HydrophobicContact CD2-CG 3.71Å; V236-K317 HydrophobicContact CB-CG 4.16Å; V236-K317 HydrophobicContact CG1-CB 3.94Å; V236-K317 HydrophobicContact CG1-CG 4Å; V236-K317 HydrophobicContact CG2-CD 4.18Å; V236-K317 HydrophobicContact CG2-CG 4.04Å; E313-K317 WeakPolarHBondContact O-CB 2.98Å; E313-K317 PolarHBondContact O-N 2.64Å; K314-K317 PolarHBondContact O-N 2.82Å; R315-K317 PolarHBondContact O-N 2.78Å; R315-K317 VanDerWaalsContact O-N 3.13Å; K317-L320 WeakPolarHBondContact O-CB 3.28Å; K317-L320 PolarHBondContact O-N 3.23Å; K317-C321 PolarHBondContact O-N 3.47Å; K317-C321 PolarHBondContact O-SG 3.16Å; K317-C321 VanDerWaalsContact O-SG 3.34Å
318I94Very high88.7Confident1 Ų174.7 Ų74.71%0.00536%0.362CS..Hα-helixtrans-66.6-41.9177.4-68.9165.5000110.7L233 I307 M308 K314 R315 L320 C321 Q322 L333L233-I318 HydrophobicContact CD1-CG1 4.1Å; L233-I318 HydrophobicContact CD2-CG1 3.55Å; I307-I318 HydrophobicContact CG2-CD1 3.85Å; M308-I318 HydrophobicContact CE-CB 3.64Å; M308-I318 HydrophobicContact CE-CD1 4.09Å; M308-I318 HydrophobicContact CE-CG1 4.46Å; M308-I318 HydrophobicContact CE-CG2 3.62Å; M308-I318 HydrophobicContact SD-CG2 4.05Å; K314-I318 WeakPolarHBondContact O-CG1 3.17Å; K314-I318 PolarHBondContact O-N 2.95Å; R315-I318 PolarHBondContact O-N 2.88Å; I318-L320 VanDerWaalsContact C-N 3.34Å; I318-C321 WeakPolarHBondContact O-CB 3.41Å; I318-C321 PolarHBondContact O-N 3.48Å; I318-Q322 PolarHBondContact O-N 2.95Å; I318-L333 HydrophobicContact CG2-CB 4.37Å; I318-L333 HydrophobicContact CG2-CD2 4.36Å
319E92.6Very high88.2Confident96 Ų9676 Ų7645%0.44937%0.37SS..Hα-helixtrans-62.5-40.3173.7-70.5175.1-173.800111.5M308 R315 Q322 S323M308-E319 HydrophobicContact CE-CG 4.44Å; R315-E319 WeakPolarHBondContact CD-OE1 3.26Å; R315-E319 HydrophobicContact CG-CG 4.26Å; R315-E319 WeakPolarHBondContact CG-OE1 3.35Å; R315-E319 WeakPolarHBondContact O-CG 3.39Å; R315-E319 PolarHBondContact O-N 2.86Å; E319-Q322 WeakPolarHBondContact O-CB 3.47Å; E319-Q322 PolarHBondContact O-N 3.25Å; E319-S323 PolarHBondContact O-N 3.3Å
320L92.7Very high88Confident88 Ų8875.7 Ų75.746%0.46137%0.374SS..Hα-helixtrans-61.9-44.9171.9179.462.9000111.4N316 K317 I318 Q322 S323 N324N316-L320 VanDerWaalsContact O-CB 3.24Å; N316-L320 WeakPolarHBondContact O-CB 3.3Å; N316-L320 PolarHBondContact O-N 2.93Å; K317-L320 WeakPolarHBondContact O-CB 3.28Å; K317-L320 PolarHBondContact O-N 3.23Å; I318-L320 VanDerWaalsContact C-N 3.34Å; L320-Q322 VanDerWaalsContact C-N 3.32Å; L320-Q322 PolarHBondContact O-N 3.4Å; L320-S323 PolarHBondContact O-N 3.45Å; L320-S323 PolarHBondContact O-OG 3.06Å; L320-N324 PolarHBondContact O-N 3.49Å; L320-N324 VanDerWaalsContact O-N 3.08Å; L320-N324 PolarHBondContact O-ND2 3.4Å
321C93Very high87.8Confident5 Ų572.4 Ų72.43%0.03436%0.355CS..Hα-helixtrans-57.5-43.9173.5-73.50000112.2K228 Y229 K317 I318 N324 S325K228-C321 WeakPolarHBondContact O-CB 3.41Å; K228-C321 PolarHBondContact O-SG 3.13Å; K228-C321 VanDerWaalsContact O-SG 3.35Å; Y229-C321 HydrophobicContact CD1-CB 3.63Å; Y229-C321 HydrophobicContact CE1-CB 3.88Å; Y229-C321 HydrophobicContact CG-CB 4.28Å; K317-C321 PolarHBondContact O-N 3.47Å; K317-C321 PolarHBondContact O-SG 3.16Å; K317-C321 VanDerWaalsContact O-SG 3.34Å; I318-C321 WeakPolarHBondContact O-CB 3.41Å; I318-C321 PolarHBondContact O-N 3.48Å; C321-N324 PolarHBondContact O-N 3.3Å; C321-S325 PolarHBondContact O-N 3.43Å
322Q91.8Very high87.6Confident41 Ų4171.4 Ų71.419%0.19235%0.353CS..Hα-helixtrans-61.5-47.2175-179.7175.3-23.200111.9Y229 I318 E319 L320 N324 S325 N329 F331Y229-Q322 HydrophobicContact CE1-CB 4.26Å; Y229-Q322 WeakPolarHBondContact OH-CA 3.34Å; Y229-Q322 WeakPolarHBondContact OH-CB 3.44Å; I318-Q322 PolarHBondContact O-N 2.95Å; E319-Q322 WeakPolarHBondContact O-CB 3.47Å; E319-Q322 PolarHBondContact O-N 3.25Å; L320-Q322 VanDerWaalsContact C-N 3.32Å; L320-Q322 PolarHBondContact O-N 3.4Å; Q322-N324 PolarHBondContact O-N 3.16Å; Q322-S325 WeakPolarHBondContact O-CB 3.48Å; Q322-S325 PolarHBondContact O-N 3.21Å; Q322-S325 PolarHBondContact O-OG 2.95Å; Q322-N329 WeakPolarHBondContact CG-O 3.19Å; Q322-N329 PolarHBondContact NE2-O 3.24Å; Q322-N329 WeakPolarHBondContact O-CA 3.44Å; Q322-N329 WeakPolarHBondContact O-CB 3.27Å; Q322-F331 VanDerWaalsContact CD-O 3.25Å; Q322-F331 PolarHBondContact NE2-O 2.85Å
323S89Confident87.6Confident69 Ų6967.5 Ų67.548%0.48333%0.329SS..Hα-helixtrans-59.4-33.7177.6750000113.3E319 L320 S325E319-S323 PolarHBondContact O-N 3.3Å; L320-S323 PolarHBondContact O-N 3.45Å; L320-S323 PolarHBondContact O-OG 3.06Å; S323-S325 VanDerWaalsContact C-N 3.27Å; S323-S325 PolarHBondContact O-N 2.99Å
324N86.4Confident87.4Confident93 Ų9360.7 Ų60.750%0.49730%0.298SS..THydrogen-bonded Turntrans-76.9-5.7176.9-73.8-58.9000114.1L320 C321 Q322 E326L320-N324 PolarHBondContact O-N 3.49Å; L320-N324 VanDerWaalsContact O-N 3.08Å; L320-N324 PolarHBondContact O-ND2 3.4Å; C321-N324 PolarHBondContact O-N 3.3Å; Q322-N324 PolarHBondContact O-N 3.16Å; N324-E326 PolarHBondContact O-N 3.37Å
325S80.1Confident87.1Confident4 Ų462.9 Ų62.93%0.02831%0.308CS..  trans-88.375.5174.170.60000110.8C321 Q322 S323 K327 Y328 N329C321-S325 PolarHBondContact O-N 3.43Å; Q322-S325 WeakPolarHBondContact O-CB 3.48Å; Q322-S325 PolarHBondContact O-N 3.21Å; Q322-S325 PolarHBondContact O-OG 2.95Å; S323-S325 VanDerWaalsContact C-N 3.27Å; S323-S325 PolarHBondContact O-N 2.99Å; S325-K327 PolarHBondContact O-N 2.72Å; S325-Y328 CarbonylContact O-C 3.49Å; S325-Y328 PolarHBondContact O-N 3.09Å; S325-N329 PolarHBondContact O-N 3.48Å; S325-N329 WeakPolarHBondContact OG-CA 3.3Å; S325-N329 PolarHBondContact OG-N 2.95Å
326E71.2Confident87Confident175 Ų17559.8 Ų59.882%0.81830%0.297SS*.THydrogen-bonded Turntrans-39.7-42.6-171.3-64176.9175.900115.9N324N324-E326 PolarHBondContact O-N 3.37Å
327K71.8Confident87Confident117 Ų11755.6 Ų55.651%0.50927%0.274SS..THydrogen-bonded Turntrans-84.2-23.5-177.7-61.1-178.1-175.2-179.40114.2S190 S325S190-K327 WeakPolarHBondContact OG-CE 3.35Å; S190-K327 PolarHBondContact OG-NZ 3.32Å; S325-K327 PolarHBondContact O-N 2.72Å
328Y75.5Confident86.9Confident17 Ų1753.1 Ų53.17%0.06727%0.265CS..THydrogen-bonded Turntrans-1313.9-161.3-51.1-45.7000114.4V185 V221 M224 S325 K330 F331V185-Y328 HydrophobicContact CB-CD1 4.49Å; V185-Y328 HydrophobicContact CB-CE1 4.3Å; V185-Y328 HydrophobicContact CG1-CD1 4.05Å; V185-Y328 HydrophobicContact CG1-CE1 3.72Å; V185-Y328 HydrophobicContact CG2-CD1 4.01Å; V185-Y328 HydrophobicContact CG2-CE1 4.31Å; V221-Y328 HydrophobicContact CG2-CE2 3.87Å; M224-Y328 HydrophobicContact CE-CD2 3.96Å; M224-Y328 HydrophobicContact CG-CD2 4.24Å; M224-Y328 HydrophobicContact SD-CD2 4.46Å; S325-Y328 CarbonylContact O-C 3.49Å; S325-Y328 PolarHBondContact O-N 3.09Å; Y328-K330 PolarHBondContact O-N 3.43Å; Y328-F331 PolarHBondContact O-N 2.97Å
329N79.4Confident86.8Confident67 Ų6753.1 Ų53.136%0.35827%0.265SS..THydrogen-bonded Turntrans-54.8-12.4-179.563.68.8000116.3Q322 S325 F331Q322-N329 WeakPolarHBondContact CG-O 3.19Å; Q322-N329 PolarHBondContact NE2-O 3.24Å; Q322-N329 WeakPolarHBondContact O-CA 3.44Å; Q322-N329 WeakPolarHBondContact O-CB 3.27Å; S325-N329 PolarHBondContact O-N 3.48Å; S325-N329 WeakPolarHBondContact OG-CA 3.3Å; S325-N329 PolarHBondContact OG-N 2.95Å; N329-F331 VanDerWaalsContact C-N 3.29Å
330K82.4Confident86.9Confident179 Ų17948.6 Ų48.678%0.77824%0.244SC*.THydrogen-bonded Turntrans-74.7-14.9172.3-63.8-179.1-178.9177.80114.1Y328Y328-K330 PolarHBondContact O-N 3.43Å
331F85.1Confident86.8Confident35 Ų3545.9 Ų45.915%0.15423%0.229CC..SBendtrans-114137-175.1-54.9-61.8000110.8L181 T184 V185 Q322 Y328 N329 E335 L336L181-F331 HydrophobicContact CD1-CB 4.15Å; L181-F331 HydrophobicContact CD1-CD1 3.39Å; L181-F331 HydrophobicContact CD1-CD2 3.81Å; L181-F331 HydrophobicContact CD1-CE1 3.58Å; L181-F331 HydrophobicContact CD1-CE2 3.99Å; L181-F331 HydrophobicContact CD1-CG 3.5Å; L181-F331 VanDerWaalsContact CD1-CG 3.5Å; L181-F331 HydrophobicContact CD1-CZ 3.88Å; T184-F331 HydrophobicContact CG2-CE2 4.16Å; T184-F331 HydrophobicContact CG2-CZ 3.87Å; V185-F331 HydrophobicContact CG2-CD2 3.77Å; V185-F331 HydrophobicContact CG2-CE2 3.45Å; V185-F331 VanDerWaalsContact CG2-CE2 3.45Å; V185-F331 HydrophobicContact CG2-CZ 4.27Å; Q322-F331 VanDerWaalsContact CD-O 3.25Å; Q322-F331 PolarHBondContact NE2-O 2.85Å; Y328-F331 PolarHBondContact O-N 2.97Å; N329-F331 VanDerWaalsContact C-N 3.29Å; F331-E335 VanDerWaalsContact CA-OE2 3.28Å; F331-E335 WeakPolarHBondContact CA-OE2 2.92Å; F331-L336 HydrophobicContact CB-CD1 4.47Å; F331-L336 HydrophobicContact CB-CD2 3.86Å; F331-L336 HydrophobicContact CB-CG 3.95Å; F331-L336 HydrophobicContact CD2-CD2 4.37Å; F331-L336 HydrophobicContact CG-CD2 4.47Å
332A89.4Confident86.6Confident29 Ų2946.8 Ų46.824%0.2423%0.233CC..  trans-73.6156.1176.600000111.6A334 E335 L336A332-A334 VanDerWaalsContact C-N 3.26Å; A332-A334 PolarHBondContact O-N 2.64Å; A332-E335 HydrophobicContact CB-CG 4.24Å; A332-E335 PolarHBondContact N-OE2 3.12Å; A332-E335 WeakPolarHBondContact O-CB 3.46Å; A332-E335 PolarHBondContact O-N 2.98Å; A332-L336 WeakPolarHBondContact O-CG 3.25Å; A332-L336 PolarHBondContact O-N 3.34Å
333L92.7Very high86.8Confident2 Ų244.8 Ų44.81%0.0122%0.224CC..Hα-helixtrans-53.4-43.6177.2174.957.8000112.1L225 Y229 L233 I245 F246 V304 I318 E335 L336 L337L225-L333 HydrophobicContact CD2-CD1 3.88Å; Y229-L333 HydrophobicContact CD1-CB 4.21Å; Y229-L333 HydrophobicContact CD1-CD1 3.82Å; Y229-L333 HydrophobicContact CD1-CD2 4.06Å; Y229-L333 HydrophobicContact CD1-CG 4.24Å; Y229-L333 HydrophobicContact CD2-CD1 4.39Å; Y229-L333 HydrophobicContact CE1-CB 3.91Å; Y229-L333 HydrophobicContact CE1-CD1 4.18Å; Y229-L333 HydrophobicContact CE1-CG 4.43Å; Y229-L333 HydrophobicContact CG-CD1 3.9Å; L233-L333 HydrophobicContact CD1-CD2 4.38Å; I245-L333 HydrophobicContact CG2-CD2 4.43Å; F246-L333 HydrophobicContact CE1-CD1 4.14Å; F246-L333 HydrophobicContact CZ-CD1 4.18Å; F246-L333 HydrophobicContact CZ-CD2 4.06Å; V304-L333 HydrophobicContact CG1-CB 4.4Å; V304-L333 HydrophobicContact CG1-CD2 4.45Å; V304-L333 HydrophobicContact CG2-CD2 4.02Å; V304-L333 HydrophobicContact CG2-CG 4.31Å; I318-L333 HydrophobicContact CG2-CB 4.37Å; I318-L333 HydrophobicContact CG2-CD2 4.36Å; L333-E335 VanDerWaalsContact C-N 3.33Å; L333-E335 PolarHBondContact O-N 3.5Å; L333-L336 PolarHBondContact O-N 3.26Å; L333-L337 HydrophobicContact CD1-CD1 4.31Å; L333-L337 HydrophobicContact CD1-CG 4.29Å; L333-L337 HydrophobicContact CG-CD1 4.29Å; L333-L337 WeakPolarHBondContact O-CG 3.37Å; L333-L337 PolarHBondContact O-N 2.82Å; L333-L337 VanDerWaalsContact O-N 3.12Å
334A90.8Very high87.1Confident1 Ų141.6 Ų41.61%0.00820%0.201CC..Hα-helixtrans-62.4-37.2177.900000112.8Q301 V304 Y305 A332Q301-A334 HydrophobicContact CB-CB 4.46Å; Q301-A334 HydrophobicContact CG-CB 4.23Å; Q301-A334 PolarHBondContact NE2-O 2.81Å; V304-A334 HydrophobicContact CB-CB 4.45Å; V304-A334 HydrophobicContact CG1-CB 4.08Å; Y305-A334 HydrophobicContact CD1-CB 4.27Å; Y305-A334 HydrophobicContact CE1-CB 3.51Å; Y305-A334 HydrophobicContact CE2-CB 4.2Å; Y305-A334 VanDerWaalsContact CZ-CB 3.47Å; Y305-A334 WeakPolarHBondContact OH-CB 3.44Å; A332-A334 VanDerWaalsContact C-N 3.26Å; A332-A334 PolarHBondContact O-N 2.64Å
335E88.6Confident87.3Confident83 Ų8339 Ų3939%0.38819%0.187SC..Hα-helixtrans-66.4-48.8175.4-62.8-179.9118.500110.7L181 F331 A332 L333 L337 T338L181-E335 HydrophobicContact CD2-CB 4.08Å; L181-E335 WeakPolarHBondContact CD2-O 3.28Å; F331-E335 VanDerWaalsContact CA-OE2 3.28Å; F331-E335 WeakPolarHBondContact CA-OE2 2.92Å; A332-E335 HydrophobicContact CB-CG 4.24Å; A332-E335 PolarHBondContact N-OE2 3.12Å; A332-E335 WeakPolarHBondContact O-CB 3.46Å; A332-E335 PolarHBondContact O-N 2.98Å; L333-E335 VanDerWaalsContact C-N 3.33Å; L333-E335 PolarHBondContact O-N 3.5Å; E335-L337 PolarHBondContact O-N 3.48Å; E335-T338 WeakPolarHBondContact O-CB 3.46Å; E335-T338 PolarHBondContact O-N 3.41Å; E335-T338 PolarHBondContact O-OG1 3.06Å
336L92.3Very high88Confident0 Ų040.1 Ų40.10%019%0.192CC..Hα-helixtrans-58.2-33.8-179-67.3167.8000112.7M224 L225 Y229 F331 A332 L333 T338 I339M224-L336 HydrophobicContact CE-CD1 4.25Å; L225-L336 HydrophobicContact CD2-CB 4.09Å; Y229-L336 HydrophobicContact CE2-CD1 3.95Å; Y229-L336 WeakPolarHBondContact OH-CD1 3.24Å; F331-L336 HydrophobicContact CB-CD1 4.47Å; F331-L336 HydrophobicContact CB-CD2 3.86Å; F331-L336 HydrophobicContact CB-CG 3.95Å; F331-L336 HydrophobicContact CD2-CD2 4.37Å; F331-L336 HydrophobicContact CG-CD2 4.47Å; A332-L336 WeakPolarHBondContact O-CG 3.25Å; A332-L336 PolarHBondContact O-N 3.34Å; L333-L336 PolarHBondContact O-N 3.26Å; L336-T338 PolarHBondContact O-N 3.07Å; L336-I339 HydrophobicContact CD2-CD1 3.82Å; L336-I339 WeakPolarHBondContact O-CB 3.47Å; L336-I339 WeakPolarHBondContact O-CG1 3.33Å; L336-I339 PolarHBondContact O-N 3.16Å
337L94.4Very high89.2Confident0 Ų031.8 Ų31.80%015%0.153CC..THydrogen-bonded Turntrans-66.3-11.5172.9-66.6167.7000113.6L225 I245 I249 Y293 L297 L333 E335 P340L225-L337 HydrophobicContact CD1-CD2 4.35Å; I245-L337 HydrophobicContact CG2-CD1 4.07Å; I249-L337 HydrophobicContact CD1-CD2 3.87Å; I249-L337 HydrophobicContact CG1-CD2 4.24Å; Y293-L337 PolarHBondContact OH-O 3Å; L297-L337 HydrophobicContact CD1-CB 3.54Å; L297-L337 VanDerWaalsContact CD1-O 3.23Å; L297-L337 WeakPolarHBondContact CD1-O 3.4Å; L333-L337 HydrophobicContact CD1-CD1 4.31Å; L333-L337 HydrophobicContact CD1-CG 4.29Å; L333-L337 HydrophobicContact CG-CD1 4.29Å; L333-L337 WeakPolarHBondContact O-CG 3.37Å; L333-L337 PolarHBondContact O-N 2.82Å; L333-L337 VanDerWaalsContact O-N 3.12Å; E335-L337 PolarHBondContact O-N 3.48Å; L337-P340 WeakPolarHBondContact O-CD 3.34Å
338T90.8Very high90.4Very high13 Ų1328.3 Ų28.38%0.0814%0.138CC..THydrogen-bonded Turntrans-80.8-21.2173.4-47.40000112.9K178 Q301 E335 L336 P340 I341 Q342K178-T338 HydrophobicContact CB-CG2 4.34Å; K178-T338 HydrophobicContact CD-CG2 4.04Å; K178-T338 HydrophobicContact CG-CG2 4.01Å; Q301-T338 PolarHBondContact NE2-OG1 3.37Å; E335-T338 WeakPolarHBondContact O-CB 3.46Å; E335-T338 PolarHBondContact O-N 3.41Å; E335-T338 PolarHBondContact O-OG1 3.06Å; L336-T338 PolarHBondContact O-N 3.07Å; T338-P340 VanDerWaalsContact C-CD 3.48Å; T338-I341 PolarHBondContact O-N 3.3Å; T338-Q342 PolarHBondContact O-N 3.42Å
339I92.7Very high91.4Very high1 Ų131.3 Ų31.31%0.00516%0.155CC..Hα-helixtrans-58.9-39.3-173.1-62.7177.8000113.7L181 Y182 V185 V186 Y218 V221 L336 I341 Q342 R343L181-I339 HydrophobicContact CD1-CD1 4.28Å; L181-I339 HydrophobicContact CD2-CD1 4.31Å; L181-I339 HydrophobicContact CD2-CG1 3.83Å; L181-I339 HydrophobicContact CG-CD1 4.12Å; L181-I339 HydrophobicContact CG-CG1 3.97Å; Y182-I339 HydrophobicContact CD2-CG2 4.27Å; V185-I339 HydrophobicContact CB-CD1 3.94Å; V185-I339 HydrophobicContact CG1-CD1 3.69Å; V185-I339 HydrophobicContact CG2-CD1 4.06Å; V186-I339 HydrophobicContact CG2-CG2 3.64Å; Y218-I339 HydrophobicContact CD2-CG2 4.17Å; Y218-I339 HydrophobicContact CE2-CG2 4.21Å; V221-I339 HydrophobicContact CG1-CD1 4.25Å; V221-I339 HydrophobicContact CG1-CG2 4.46Å; L336-I339 HydrophobicContact CD2-CD1 3.82Å; L336-I339 WeakPolarHBondContact O-CB 3.47Å; L336-I339 WeakPolarHBondContact O-CG1 3.33Å; L336-I339 PolarHBondContact O-N 3.16Å; I339-I341 VanDerWaalsContact C-N 3.35Å; I339-I341 PolarHBondContact O-N 3.35Å; I339-Q342 PolarHBondContact O-N 2.9Å; I339-Q342 VanDerWaalsContact O-N 3.16Å; I339-R343 PolarHBondContact O-N 2.84Å
340P95.1Very high92.2Very high1 Ų128.9 Ų28.91%0.00614%0.142CC..Hα-helixtrans-57-43.3177.2-28.337.7000113.8Y218 L222 L252 Y290 Y293 L337 T338 Q342 R343 V344Y218-P340 HydrophobicContact CE2-CB 4.4Å; Y218-P340 HydrophobicContact CE2-CG 4.33Å; Y218-P340 VanDerWaalsContact OH-CA 3.24Å; Y218-P340 WeakPolarHBondContact OH-CA 3.28Å; Y218-P340 WeakPolarHBondContact OH-CB 3.44Å; L222-P340 HydrophobicContact CD2-CG 4.12Å; L252-P340 HydrophobicContact CD1-CB 4.2Å; Y290-P340 HydrophobicContact CD1-CB 4.49Å; Y290-P340 HydrophobicContact CE1-CB 3.72Å; Y290-P340 VanDerWaalsContact CE1-O 3.25Å; Y290-P340 WeakPolarHBondContact CE1-O 3.48Å; Y293-P340 HydrophobicContact CD1-CB 4.12Å; Y293-P340 HydrophobicContact CE1-CB 3.59Å; Y293-P340 HydrophobicContact CE1-CG 3.84Å; L337-P340 WeakPolarHBondContact O-CD 3.34Å; T338-P340 VanDerWaalsContact C-CD 3.48Å; P340-Q342 VanDerWaalsContact C-N 3.3Å; P340-Q342 PolarHBondContact O-N 3Å; P340-R343 PolarHBondContact O-N 3.28Å; P340-R343 VanDerWaalsContact O-N 3.16Å; P340-V344 PolarHBondContact O-N 2.98Å; P340-V344 VanDerWaalsContact O-N 3.13Å
341I90.2Very high92.9Very high32 Ų3220.3 Ų20.316%0.16411%0.105CC..Hα-helixtrans-62.5-40.8178.3-54.9-172.9000110.4Y293 C294 L297 T338 I339 V344 L345Y293-I341 HydrophobicContact CD1-CG1 4.14Å; Y293-I341 HydrophobicContact CE1-CG1 4.17Å; C294-I341 HydrophobicContact CB-CD1 4.16Å; C294-I341 VanDerWaalsContact SG-CD1 3.53Å; L297-I341 HydrophobicContact CB-CD1 4.35Å; L297-I341 HydrophobicContact CD2-CD1 3.33Å; L297-I341 HydrophobicContact CD2-CG1 4.14Å; L297-I341 HydrophobicContact CG-CD1 4.45Å; T338-I341 PolarHBondContact O-N 3.3Å; I339-I341 VanDerWaalsContact C-N 3.35Å; I339-I341 PolarHBondContact O-N 3.35Å; I341-V344 WeakPolarHBondContact O-CG1 3.17Å; I341-L345 HydrophobicContact CG2-CD1 4.24Å; I341-L345 WeakPolarHBondContact O-CG 3.26Å
342Q89.8Confident93.5Very high23 Ų2322.1 Ų22.111%0.10711%0.114CC..Hα-helixtrans-64-42175.3-69.6-64.7-39.700111.8Y182 T338 I339 P340 L345 K346Y182-Q342 HydrophobicContact CD2-CB 3.56Å; Y182-Q342 HydrophobicContact CE2-CB 4.43Å; Y182-Q342 HydrophobicContact CG-CB 3.78Å; T338-Q342 PolarHBondContact O-N 3.42Å; I339-Q342 PolarHBondContact O-N 2.9Å; I339-Q342 VanDerWaalsContact O-N 3.16Å; P340-Q342 VanDerWaalsContact C-N 3.3Å; P340-Q342 PolarHBondContact O-N 3Å; Q342-L345 PolarHBondContact O-N 3.45Å; Q342-K346 WeakPolarHBondContact O-CG 3.27Å; Q342-K346 PolarHBondContact O-N 3.35Å
343R95Very high93.8Very high0 Ų025.3 Ų25.30%012%0.123CC..Hα-helixtrans-61.1-52-179.1-179.760.7178.4171.80.7112.6Y182 I211 T214 E215 Y218 I339 P340 L345 K346 Y347Y182-R343 HydrophobicContact CE2-CB 3.91Å; Y182-R343 WeakPolarHBondContact OH-CD 2.93Å; Y182-R343 PolarHBondContact OH-NH1 2.85Å; I211-R343 PolarHBondContact O-NH2 3.28Å; T214-R343 VanDerWaalsContact CB-NH1 3.28Å; T214-R343 PolarHBondContact OG1-NH1 2.86Å; T214-R343 PolarHBondContact OG1-NH2 3.34Å; E215-R343 VanDerWaalsContact CA-NH2 3.32Å; E215-R343 VanDerWaalsContact N-NH2 3.14Å; E215-R343 IonicContact OE2-CZ 2.72Å; E215-R343 VanDerWaalsContact OE2-CZ 3.25Å; E215-R343 IonicContact OE2-NE 3.82Å; E215-R343 PolarHBondContact OE2-NE 3.15Å; E215-R343 IonicContact OE2-NH2 3.71Å; E215-R343 PolarHBondContact OE2-NH2 2.97Å; Y218-R343 HydrophobicContact CD1-CB 4.34Å; Y218-R343 HydrophobicContact CD1-CG 3.63Å; Y218-R343 HydrophobicContact CD2-CB 3.94Å; Y218-R343 HydrophobicContact CD2-CG 4.02Å; Y218-R343 HydrophobicContact CE1-CB 4.18Å; Y218-R343 HydrophobicContact CE1-CG 3.76Å; Y218-R343 HydrophobicContact CE2-CB 3.82Å; Y218-R343 HydrophobicContact CE2-CG 4.19Å; Y218-R343 HydrophobicContact CG-CB 4.2Å; Y218-R343 HydrophobicContact CG-CG 3.74Å; I339-R343 PolarHBondContact O-N 2.84Å; P340-R343 PolarHBondContact O-N 3.28Å; P340-R343 VanDerWaalsContact O-N 3.16Å; R343-L345 PolarHBondContact O-N 2.8Å; R343-K346 PolarHBondContact O-N 2.87Å; R343-Y347 HydrophobicContact CG-CE2 4.19Å; R343-Y347 WeakPolarHBondContact CG-OH 3.49Å; R343-Y347 PolarHBondContact NE-OH 3.48Å
344V94.9Very high93.9Very high1 Ų125.2 Ų25.21%0.00612%0.123CC..Hα-helixtrans-62.5-31.2-174.367.50000112.2Y290 P340 I341 K346 Y347 V378 I382Y290-V344 HydrophobicContact CD1-CB 3.81Å; Y290-V344 HydrophobicContact CD1-CG1 3.53Å; Y290-V344 HydrophobicContact CD1-CG2 4.34Å; Y290-V344 HydrophobicContact CD2-CB 4.19Å; Y290-V344 HydrophobicContact CD2-CG2 3.93Å; Y290-V344 HydrophobicContact CE1-CB 3.85Å; Y290-V344 HydrophobicContact CE1-CG1 3.96Å; Y290-V344 HydrophobicContact CE2-CB 4.23Å; Y290-V344 HydrophobicContact CE2-CG2 4.2Å; Y290-V344 HydrophobicContact CG-CB 3.97Å; Y290-V344 HydrophobicContact CG-CG1 3.87Å; Y290-V344 HydrophobicContact CG-CG2 3.98Å; P340-V344 PolarHBondContact O-N 2.98Å; P340-V344 VanDerWaalsContact O-N 3.13Å; I341-V344 WeakPolarHBondContact O-CG1 3.17Å; V344-K346 VanDerWaalsContact C-N 3.34Å; V344-K346 PolarHBondContact O-N 3.18Å; V344-Y347 HydrophobicContact CB-CD2 4.5Å; V344-Y347 HydrophobicContact CB-CE2 4.45Å; V344-Y347 HydrophobicContact CG2-CD2 4.28Å; V344-Y347 HydrophobicContact CG2-CE2 4.46Å; V344-Y347 WeakPolarHBondContact O-CD2 3.44Å; V344-V378 HydrophobicContact CG2-CG1 3.95Å; V344-I382 HydrophobicContact CB-CD1 4.26Å; V344-I382 HydrophobicContact CG1-CD1 3.7Å; V344-I382 HydrophobicContact CG2-CD1 3.53Å
345L91.8Very high94.2Very high39 Ų3925.8 Ų25.820%0.20413%0.127CC..Hα-helixtrans-75.4-13.6174.7-63.1176000114.1I341 Q342 R343 H348 A379I341-L345 HydrophobicContact CG2-CD1 4.24Å; I341-L345 WeakPolarHBondContact O-CG 3.26Å; Q342-L345 PolarHBondContact O-N 3.45Å; R343-L345 PolarHBondContact O-N 2.8Å; L345-H348 PolarHBondContact O-CD2 3.33Å; L345-H348 PolarHBondContact O-NE2 2.98Å; L345-A379 HydrophobicContact CD2-CB 3.87Å
346K94.1Very high94.5Very high28 Ų2828.1 Ų28.112%0.12214%0.136CC..Hα-helixtrans-84.5-20.8174.1-57.2-43.9178.8-176.10113.9E179 Y182 Q342 R343 V344 H348 L349 L350E179-K346 IonicContact OE1-NZ 3.78Å; E179-K346 PolarHBondContact OE1-NZ 2.94Å; Y182-K346 HydrophobicContact CD1-CG 4.41Å; Y182-K346 HydrophobicContact CE1-CD 4.36Å; Y182-K346 HydrophobicContact CE1-CG 3.65Å; Y182-K346 HydrophobicContact CE2-CG 4.41Å; Q342-K346 WeakPolarHBondContact O-CG 3.27Å; Q342-K346 PolarHBondContact O-N 3.35Å; R343-K346 PolarHBondContact O-N 2.87Å; V344-K346 VanDerWaalsContact C-N 3.34Å; V344-K346 PolarHBondContact O-N 3.18Å; K346-H348 PolarHBondContact O-N 2.89Å; K346-L349 HydrophobicContact CD-CD1 4.14Å; K346-L349 PolarHBondContact O-N 3.26Å; K346-L349 VanDerWaalsContact O-N 3.12Å; K346-L350 HydrophobicContact CB-CD1 4.33Å; K346-L350 WeakPolarHBondContact O-CG 3.24Å; K346-L350 PolarHBondContact O-N 2.89Å
347Y97.3Very high94.5Very high0 Ų030.6 Ų30.60%015%0.148CC..Hα-helixtrans-59.6-43.5-173.7-69.2-54.7000113.8E215 H256 F259 F280 L287 R343 V344 L350 L351E215-Y347 VanDerWaalsContact CD-OH 3.25Å; E215-Y347 PolarHBondContact OE1-OH 2.68Å; E215-Y347 VanDerWaalsContact OE2-CE1 3.25Å; E215-Y347 WeakPolarHBondContact OE2-CE1 3.5Å; E215-Y347 PolarHBondContact OE2-OH 3.25Å; H256-Y347 AromaticContact CE1-CZ 3.94Å; H256-Y347 PolarHBondContact CE1-OH 3.49Å; H256-Y347 PolarHBondContact ND1-OH 3.06Å; F259-Y347 HydrophobicContact CE1-CD1 4.49Å; F259-Y347 AromaticContact CE1-CE1 3.72Å; F259-Y347 HydrophobicContact CE1-CE1 3.72Å; F259-Y347 AromaticContact CE1-CZ 3.93Å; F259-Y347 HydrophobicContact CZ-CE1 4.31Å; F280-Y347 AromaticContact CE1-CD1 3.82Å; F280-Y347 HydrophobicContact CE1-CD1 3.82Å; F280-Y347 HydrophobicContact CE1-CG 4.25Å; F280-Y347 HydrophobicContact CZ-CD1 4.48Å; L287-Y347 HydrophobicContact CD1-CD2 4.39Å; L287-Y347 HydrophobicContact CD1-CE2 4.46Å; R343-Y347 HydrophobicContact CG-CE2 4.19Å; R343-Y347 WeakPolarHBondContact CG-OH 3.49Å; R343-Y347 PolarHBondContact NE-OH 3.48Å; V344-Y347 HydrophobicContact CB-CD2 4.5Å; V344-Y347 HydrophobicContact CB-CE2 4.45Å; V344-Y347 HydrophobicContact CG2-CD2 4.28Å; V344-Y347 HydrophobicContact CG2-CE2 4.46Å; V344-Y347 WeakPolarHBondContact O-CD2 3.44Å; Y347-L350 PolarHBondContact O-N 2.9Å; Y347-L351 PolarHBondContact O-N 3.04Å
348H96.2Very high94.4Very high43 Ų4330.9 Ų30.920%0.19915%0.15CC..Hα-helixtrans-68.4-35.5177.778.186.1000111.7L345 K346 L351 E352 H372 M375 R376L345-H348 PolarHBondContact O-CD2 3.33Å; L345-H348 PolarHBondContact O-NE2 2.98Å; K346-H348 PolarHBondContact O-N 2.89Å; H348-L351 PolarHBondContact O-N 3.24Å; H348-E352 VanDerWaalsContact O-CB 3.3Å; H348-E352 WeakPolarHBondContact O-CB 3.19Å; H348-E352 PolarHBondContact O-N 2.95Å; H348-H372 PolarHBondContact O-CD2 2.98Å; H348-M375 HydrophobicContact CB-CB 4.02Å; H348-R376 HydrophobicContact CB-CB 4.14Å
349L95.7Very high94.4Very high81 Ų8133.4 Ų33.442%0.42417%0.167SC..Hα-helixtrans-65.1-43176.3-60174.7000111.9K346 E352 H353K346-L349 HydrophobicContact CD-CD1 4.14Å; K346-L349 PolarHBondContact O-N 3.26Å; K346-L349 VanDerWaalsContact O-N 3.12Å; L349-E352 PolarHBondContact O-N 3.37Å; L349-H353 PolarHBondContact O-N 2.71Å
350L96.3Very high94.2Very high15 Ų1535.9 Ų35.98%0.07919%0.188CC..Hα-helixtrans-62.3-46175.8-71.1166.2000111.4E210 I211 K346 Y347 H353 L354E210-L350 HydrophobicContact CG-CD2 4.38Å; E210-L350 VanDerWaalsContact OE1-CD2 3.3Å; E210-L350 WeakPolarHBondContact OE1-CD2 3.29Å; I211-L350 HydrophobicContact CD1-CB 4.32Å; I211-L350 HydrophobicContact CG1-CB 3.97Å; I211-L350 HydrophobicContact CG1-CD1 4.25Å; I211-L350 HydrophobicContact CG1-CD2 4.32Å; I211-L350 HydrophobicContact CG1-CG 4.41Å; K346-L350 HydrophobicContact CB-CD1 4.33Å; K346-L350 WeakPolarHBondContact O-CG 3.24Å; K346-L350 PolarHBondContact O-N 2.89Å; Y347-L350 PolarHBondContact O-N 2.9Å; L350-H353 PolarHBondContact O-N 2.82Å; L350-L354 WeakPolarHBondContact O-CB 3.42Å; L350-L354 PolarHBondContact O-N 2.69Å
351L97.3Very high93.8Very high0 Ų042.7 Ų42.70%022%0.224CC..Hα-helixtrans-68.1-35.4176.1-73.8178.4000113.1F280 Y347 H348 H353 L354 C355 L368 A371 H372 M375F280-L351 HydrophobicContact CB-CD1 4.41Å; F280-L351 HydrophobicContact CD1-CD1 3.81Å; F280-L351 HydrophobicContact CD2-CD1 4.11Å; F280-L351 HydrophobicContact CD2-CD2 3.93Å; F280-L351 HydrophobicContact CD2-CG 4.46Å; F280-L351 HydrophobicContact CE1-CD1 3.98Å; F280-L351 HydrophobicContact CE1-CG 4.24Å; F280-L351 HydrophobicContact CE2-CD1 4.31Å; F280-L351 HydrophobicContact CE2-CD2 3.68Å; F280-L351 HydrophobicContact CE2-CG 4.22Å; F280-L351 HydrophobicContact CG-CD1 3.86Å; F280-L351 HydrophobicContact CZ-CD1 4.24Å; F280-L351 HydrophobicContact CZ-CD2 4.02Å; F280-L351 HydrophobicContact CZ-CG 4.09Å; Y347-L351 PolarHBondContact O-N 3.04Å; H348-L351 PolarHBondContact O-N 3.24Å; L351-H353 VanDerWaalsContact C-N 3.34Å; L351-L354 HydrophobicContact CD2-CD2 4.34Å; L351-L354 PolarHBondContact O-N 3.14Å; L351-C355 WeakPolarHBondContact O-CB 3.4Å; L351-C355 PolarHBondContact O-N 3.38Å; L351-C355 PolarHBondContact O-SG 3.5Å; L351-L368 HydrophobicContact CD2-CD2 4.28Å; L351-A371 HydrophobicContact CD1-CB 4.17Å; L351-A371 WeakPolarHBondContact CD1-O 3.41Å; L351-H372 HydrophobicContact CB-CB 3.96Å; L351-M375 HydrophobicContact CD1-CB 4.16Å; L351-M375 HydrophobicContact CD1-CG 3.57Å
352E97.3Very high93.7Very high73 Ų7343.5 Ų43.534%0.34123%0.227SC..Hα-helixtrans-63.6-42174.7-159.1-146.9-179.400110.8H348 L349 C355 K356H348-E352 VanDerWaalsContact O-CB 3.3Å; H348-E352 WeakPolarHBondContact O-CB 3.19Å; H348-E352 PolarHBondContact O-N 2.95Å; L349-E352 PolarHBondContact O-N 3.37Å; E352-C355 PolarHBondContact O-N 3.23Å; E352-K356 VanDerWaalsContact CD-CE 3.44Å; E352-K356 WeakPolarHBondContact O-CD 3.24Å; E352-K356 VanDerWaalsContact O-CG 3.29Å; E352-K356 WeakPolarHBondContact O-CG 3.23Å; E352-K356 PolarHBondContact O-N 3.37Å; E352-K356 VanDerWaalsContact O-N 3.09Å; E352-K356 WeakPolarHBondContact OE1-CE 3.43Å; E352-K356 IonicContact OE1-NZ 2.86Å; E352-K356 PolarHBondContact OE1-NZ 3.24Å; E352-K356 IonicContact OE2-NZ 3.38Å; E352-K356 PolarHBondContact OE2-NZ 2.89Å
353H95.9Very high93.5Very high95 Ų9549.5 Ų49.544%0.4425%0.25SC..Hα-helixtrans-65.1-43.5174.2-167.154.3000111.6L349 L350 L351 C355 K356 L357L349-H353 PolarHBondContact O-N 2.71Å; L350-H353 PolarHBondContact O-N 2.82Å; L351-H353 VanDerWaalsContact C-N 3.34Å; H353-C355 VanDerWaalsContact C-N 3.33Å; H353-C355 PolarHBondContact O-N 2.9Å; H353-K356 WeakPolarHBondContact O-CB 3.49Å; H353-K356 PolarHBondContact O-N 2.61Å; H353-K356 VanDerWaalsContact O-N 3.13Å; H353-L357 WeakPolarHBondContact NE2-CD1 3.44Å; H353-L357 WeakPolarHBondContact O-CG 3.4Å; H353-L357 PolarHBondContact O-N 2.71Å
354L96Very high93Very high0 Ų050.4 Ų50.40%025%0.254CS..Hα-helixtrans-61.6-39.2175.9-174.259.3000112.4R204 C207 I208 I211 L276 L350 L351 K356 L357 T358 L368R204-L354 HydrophobicContact CG-CD1 3.69Å; C207-L354 HydrophobicContact CB-CD1 4.34Å; I208-L354 HydrophobicContact CD1-CD1 4.21Å; I208-L354 HydrophobicContact CG1-CD1 3.73Å; I208-L354 HydrophobicContact CG1-CD2 4.13Å; I211-L354 HydrophobicContact CD1-CD2 4.09Å; L276-L354 HydrophobicContact CD2-CD2 3.52Å; L350-L354 WeakPolarHBondContact O-CB 3.42Å; L350-L354 PolarHBondContact O-N 2.69Å; L351-L354 HydrophobicContact CD2-CD2 4.34Å; L351-L354 PolarHBondContact O-N 3.14Å; L354-K356 VanDerWaalsContact C-N 3.33Å; L354-K356 PolarHBondContact O-N 2.88Å; L354-L357 CarbonylContact O-C 3.58Å; L354-L357 PolarHBondContact O-N 2.69Å; L354-T358 WeakPolarHBondContact O-CB 2.82Å; L354-T358 PolarHBondContact O-N 2.98Å; L354-T358 PolarHBondContact O-OG1 3.47Å; L354-L368 HydrophobicContact CD2-CD1 4.29Å; L354-L368 HydrophobicContact CD2-CD2 3.92Å; L354-L368 HydrophobicContact CG-CD1 4.3Å
355C95.6Very high92.8Very high14 Ų1454.1 Ų54.110%0.09527%0.268CS..Hα-helixtrans-64.7-35174.4-70.40000112.7L351 E352 H353 L368 I369L351-C355 WeakPolarHBondContact O-CB 3.4Å; L351-C355 PolarHBondContact O-N 3.38Å; L351-C355 PolarHBondContact O-SG 3.5Å; E352-C355 PolarHBondContact O-N 3.23Å; H353-C355 VanDerWaalsContact C-N 3.33Å; H353-C355 PolarHBondContact O-N 2.9Å; C355-L368 PolarHBondContact SG-O 3.03Å; C355-I369 HydrophobicContact CB-CG1 4.47Å
356K95.1Very high92.8Very high132 Ų13255.7 Ų55.757%0.57428%0.282SS*.Hα-helixtrans-70.9-32.5174.3-69.9162.8-176.8171.60112.4E352 H353 L354E352-K356 VanDerWaalsContact CD-CE 3.44Å; E352-K356 WeakPolarHBondContact O-CD 3.24Å; E352-K356 VanDerWaalsContact O-CG 3.29Å; E352-K356 WeakPolarHBondContact O-CG 3.23Å; E352-K356 PolarHBondContact O-N 3.37Å; E352-K356 VanDerWaalsContact O-N 3.09Å; E352-K356 WeakPolarHBondContact OE1-CE 3.43Å; E352-K356 IonicContact OE1-NZ 2.86Å; E352-K356 PolarHBondContact OE1-NZ 3.24Å; E352-K356 IonicContact OE2-NZ 3.38Å; E352-K356 PolarHBondContact OE2-NZ 2.89Å; H353-K356 WeakPolarHBondContact O-CB 3.49Å; H353-K356 PolarHBondContact O-N 2.61Å; H353-K356 VanDerWaalsContact O-N 3.13Å; L354-K356 VanDerWaalsContact C-N 3.33Å; L354-K356 PolarHBondContact O-N 2.88Å
357L93.5Very high92.8Very high52 Ų5257.2 Ų57.227%0.27229%0.292SS..Hα-helixtrans-86.2-5.9177.4-67.3177.1000114.4A203 R204 C207 H353 L354A203-L357 HydrophobicContact CB-CD1 4.25Å; A203-L357 HydrophobicContact CB-CD2 3.91Å; R204-L357 HydrophobicContact CB-CB 4.34Å; C207-L357 HydrophobicContact CB-CD1 3.77Å; H353-L357 WeakPolarHBondContact NE2-CD1 3.44Å; H353-L357 WeakPolarHBondContact O-CG 3.4Å; H353-L357 PolarHBondContact O-N 2.71Å; L354-L357 CarbonylContact O-C 3.58Å; L354-L357 PolarHBondContact O-N 2.69Å
358T92.1Very high92.7Very high5 Ų557.3 Ų57.33%0.03129%0.292CS..SBendtrans-97.8123.1-178.7-60.90000110.1R204 L354 H362 R365 L368R204-T358 PolarHBondContact NE-OG1 2.93Å; L354-T358 WeakPolarHBondContact O-CB 2.82Å; L354-T358 PolarHBondContact O-N 2.98Å; L354-T358 PolarHBondContact O-OG1 3.47Å; T358-H362 HydrophobicContact CG2-CB 3.7Å; T358-R365 HydrophobicContact CG2-CB 3.89Å; T358-R365 HydrophobicContact CG2-CG 4.16Å; T358-R365 VanDerWaalsContact O-CD 3.28Å; T358-R365 WeakPolarHBondContact O-CD 3.15Å; T358-R365 PolarHBondContact O-NE 3.37Å; T358-R365 VanDerWaalsContact O-NE 3.1Å; T358-L368 HydrophobicContact CG2-CD1 4.39Å
359P90Very high92.7Very high66 Ų6659 Ų5943%0.42930%0.302SS..  trans-56.9149-178.6-28.236.4000114.5D361 H362 R365P359-D361 WeakPolarHBondContact CB-OD1 3.36Å; P359-D361 PolarHBondContact O-N 3.02Å; P359-H362 HydrophobicContact CB-CB 4.31Å; P359-H362 VanDerWaalsContact O-CB 3.3Å; P359-H362 WeakPolarHBondContact O-CB 3.43Å; P359-H362 PolarHBondContact O-N 3.45Å; P359-R365 WeakPolarHBondContact O-CD 3.46Å
360A88.2Confident92.6Very high54 Ų5459 Ų5945%0.44631%0.305SS..THydrogen-bonded Turntrans-66.2-12.9-169.600000115.4
361D87.8Confident92.6Very high144 Ų14458.3 Ų58.377%0.7730%0.302SS*.THydrogen-bonded Turntrans-107.6-6.4-179.358.3-44.4000113P359P359-D361 WeakPolarHBondContact CB-OD1 3.36Å; P359-D361 PolarHBondContact O-N 3.02Å
362H87.7Confident92.6Very high49 Ų4959.8 Ų59.823%0.22731%0.308CS..  trans-74.3130.5-176.3-170.1-71.3000112.2R204 T358 P359 D364 R365R204-H362 PolarHBondContact NH1-CE1 2.84Å; R204-H362 PolarHBondContact NH1-NE2 2.85Å; T358-H362 HydrophobicContact CG2-CB 3.7Å; P359-H362 HydrophobicContact CB-CB 4.31Å; P359-H362 VanDerWaalsContact O-CB 3.3Å; P359-H362 WeakPolarHBondContact O-CB 3.43Å; P359-H362 PolarHBondContact O-N 3.45Å; H362-D364 IonicContact CE1-OD2 3.36Å; H362-D364 PolarHBondContact CE1-OD2 2.9Å; H362-D364 PolarHBondContact ND1-N 3.49Å; H362-D364 IonicContact ND1-OD2 2.91Å; H362-D364 PolarHBondContact O-N 3.25Å; H362-R365 WeakPolarHBondContact O-CB 3.45Å; H362-R365 PolarHBondContact O-N 3.49Å
363Y85.5Confident92.5Very high149 Ų14958.9 Ų58.958%0.58430%0.304SS*.THydrogen-bonded Turntrans-52.6-47.2-172.971-90.2000114.3R365Y363-R365 PolarHBondContact O-N 3.2Å
364D85.3Confident92.4Very high18 Ų1854.7 Ų54.710%0.09629%0.286CS..THydrogen-bonded Turntrans-57.2-18.2177.5-67-50.1000114.9R204 H362 S366 D367 L368R204-D364 IonicContact CZ-OD2 2.99Å; R204-D364 IonicContact NH1-OD2 2.63Å; R204-D364 IonicContact NH2-OD2 2.91Å; R204-D364 PolarHBondContact NH2-OD2 3.15Å; H362-D364 IonicContact CE1-OD2 3.36Å; H362-D364 PolarHBondContact CE1-OD2 2.9Å; H362-D364 PolarHBondContact ND1-N 3.49Å; H362-D364 IonicContact ND1-OD2 2.91Å; H362-D364 PolarHBondContact O-N 3.25Å; D364-S366 PolarHBondContact O-N 2.99Å; D364-D367 PolarHBondContact O-N 3.41Å; D364-D367 VanDerWaalsContact O-N 3.13Å; D364-L368 HydrophobicContact CB-CD1 3.73Å; D364-L368 HydrophobicContact CB-CG 4.09Å; D364-L368 WeakPolarHBondContact O-CB 3.31Å; D364-L368 WeakPolarHBondContact O-CG 3.29Å; D364-L368 PolarHBondContact O-N 3.29Å
365R90.9Very high92.4Very high79 Ų7954.8 Ų54.830%0.29829%0.286SS..Hα-helixtrans-70.3-34.4-158.9-171.7165.9179.7-91.43.3114.2T358 P359 H362 Y363 D367 I369T358-R365 HydrophobicContact CG2-CB 3.89Å; T358-R365 HydrophobicContact CG2-CG 4.16Å; T358-R365 VanDerWaalsContact O-CD 3.28Å; T358-R365 WeakPolarHBondContact O-CD 3.15Å; T358-R365 PolarHBondContact O-NE 3.37Å; T358-R365 VanDerWaalsContact O-NE 3.1Å; P359-R365 WeakPolarHBondContact O-CD 3.46Å; H362-R365 WeakPolarHBondContact O-CB 3.45Å; H362-R365 PolarHBondContact O-N 3.49Å; Y363-R365 PolarHBondContact O-N 3.2Å; R365-D367 VanDerWaalsContact C-N 3.27Å; R365-D367 PolarHBondContact O-N 2.98Å; R365-I369 HydrophobicContact CG-CD1 4.18Å; R365-I369 WeakPolarHBondContact O-CD1 3.2Å; R365-I369 VanDerWaalsContact O-CG1 3.25Å; R365-I369 WeakPolarHBondContact O-CG1 3.19Å; R365-I369 PolarHBondContact O-N 3.03Å
366S92.3Very high92.4Very high72 Ų7259.1 Ų59.150%0.50330%0.301SS..Hα-helixtrans-57.9-47171.545.30000110.4D364 I369 V370D364-S366 PolarHBondContact O-N 2.99Å; S366-I369 WeakPolarHBondContact O-CB 3.41Å; S366-I369 PolarHBondContact O-N 2.96Å; S366-V370 WeakPolarHBondContact O-CG2 3.47Å; S366-V370 PolarHBondContact O-N 3.07Å; S366-V370 VanDerWaalsContact O-N 3.11Å
367D93.4Very high92.2Very high61 Ų6153.9 Ų53.933%0.32628%0.278SS..Hα-helixtrans-80.7-32.1-166.8-53.3-4.3000110.1S277 D364 R365 I369 V370 A371S277-D367 VanDerWaalsContact OG-C 3.28Å; D364-D367 PolarHBondContact O-N 3.41Å; D364-D367 VanDerWaalsContact O-N 3.13Å; R365-D367 VanDerWaalsContact C-N 3.27Å; R365-D367 PolarHBondContact O-N 2.98Å; D367-I369 VanDerWaalsContact C-N 3.32Å; D367-V370 PolarHBondContact O-N 2.83Å; D367-A371 WeakPolarHBondContact O-CB 3.41Å; D367-A371 PolarHBondContact O-N 2.96Å
368L95.3Very high92.3Very high1 Ų151.5 Ų51.51%0.00527%0.266CS..Hα-helixtrans-63.8-34.8168.6-74.5172.6000112.1L276 S277 L351 L354 C355 T358 D364 A371 H372L276-L368 HydrophobicContact CD2-CD2 4.32Å; S277-L368 PolarHBondContact OG-N 3.39Å; L351-L368 HydrophobicContact CD2-CD2 4.28Å; L354-L368 HydrophobicContact CD2-CD1 4.29Å; L354-L368 HydrophobicContact CD2-CD2 3.92Å; L354-L368 HydrophobicContact CG-CD1 4.3Å; C355-L368 PolarHBondContact SG-O 3.03Å; T358-L368 HydrophobicContact CG2-CD1 4.39Å; D364-L368 HydrophobicContact CB-CD1 3.73Å; D364-L368 HydrophobicContact CB-CG 4.09Å; D364-L368 WeakPolarHBondContact O-CB 3.31Å; D364-L368 WeakPolarHBondContact O-CG 3.29Å; D364-L368 PolarHBondContact O-N 3.29Å; L368-A371 PolarHBondContact O-N 2.99Å; L368-H372 VanDerWaalsContact O-CB 3.25Å; L368-H372 WeakPolarHBondContact O-CB 3.3Å; L368-H372 PolarHBondContact O-N 3.38Å
369I95.6Very high92.3Very high78 Ų7851.4 Ų51.440%0.427%0.266SS..Hα-helixtrans-69.1-38.5174.1-70.4165.4000110.7C355 R365 S366 D367 H372 E373C355-I369 HydrophobicContact CB-CG1 4.47Å; R365-I369 HydrophobicContact CG-CD1 4.18Å; R365-I369 WeakPolarHBondContact O-CD1 3.2Å; R365-I369 VanDerWaalsContact O-CG1 3.25Å; R365-I369 WeakPolarHBondContact O-CG1 3.19Å; R365-I369 PolarHBondContact O-N 3.03Å; S366-I369 WeakPolarHBondContact O-CB 3.41Å; S366-I369 PolarHBondContact O-N 2.96Å; D367-I369 VanDerWaalsContact C-N 3.32Å; I369-H372 PolarHBondContact O-N 3.2Å; I369-E373 PolarHBondContact O-N 3.37Å
370V94.3Very high92.3Very high82 Ų8252 Ų5250%0.49727%0.265SS..Hα-helixtrans-66.4-43.4173.9179.10000111L281 S366 D367 E373 A374L281-V370 HydrophobicContact CD1-CG1 4.31Å; L281-V370 HydrophobicContact CD2-CG1 4.12Å; S366-V370 WeakPolarHBondContact O-CG2 3.47Å; S366-V370 PolarHBondContact O-N 3.07Å; S366-V370 VanDerWaalsContact O-N 3.11Å; D367-V370 PolarHBondContact O-N 2.83Å; V370-E373 PolarHBondContact O-N 3.06Å; V370-A374 WeakPolarHBondContact O-CB 3.48Å; V370-A374 PolarHBondContact O-N 3.32Å
371A96.2Very high92.4Very high0 Ų049.8 Ų49.80%025%0.247CC..Hα-helixtrans-63.8-38.2174.400000112.7F280 L281 L351 D367 L368 A374 M375F280-A371 HydrophobicContact CB-CB 4.05Å; L281-A371 HydrophobicContact CG-CB 4.27Å; L351-A371 HydrophobicContact CD1-CB 4.17Å; L351-A371 WeakPolarHBondContact CD1-O 3.41Å; D367-A371 WeakPolarHBondContact O-CB 3.41Å; D367-A371 PolarHBondContact O-N 2.96Å; L368-A371 PolarHBondContact O-N 2.99Å; A371-A374 WeakPolarHBondContact O-CB 3.48Å; A371-A374 PolarHBondContact O-N 3.14Å; A371-M375 WeakPolarHBondContact O-CG 3.41Å; A371-M375 PolarHBondContact O-N 3.27Å
372H96.8Very high92.5Very high31 Ų3143.1 Ų43.114%0.14421%0.211CC..Hα-helixtrans-61.2-49.9173.6166.4-111000111.5H348 L351 L368 I369 A374 M375 R376H348-H372 PolarHBondContact O-CD2 2.98Å; L351-H372 HydrophobicContact CB-CB 3.96Å; L368-H372 VanDerWaalsContact O-CB 3.25Å; L368-H372 WeakPolarHBondContact O-CB 3.3Å; L368-H372 PolarHBondContact O-N 3.38Å; I369-H372 PolarHBondContact O-N 3.2Å; H372-A374 VanDerWaalsContact C-N 3.3Å; H372-A374 PolarHBondContact O-N 2.98Å; H372-M375 PolarHBondContact O-N 3.44Å; H372-R376 WeakPolarHBondContact O-CB 3.46Å; H372-R376 PolarHBondContact O-N 2.95Å
373E94.8Very high92.4Very high55 Ų5544.6 Ų44.626%0.25722%0.22SC..Hα-helixtrans-64.9-35.9178.6-17370.1166.800111.5I369 V370 R376 E377 K550I369-E373 PolarHBondContact O-N 3.37Å; V370-E373 PolarHBondContact O-N 3.06Å; E373-R376 WeakPolarHBondContact O-CB 3.43Å; E373-R376 PolarHBondContact O-N 3.12Å; E373-R376 IonicContact OE1-NH1 2.67Å; E373-R376 PolarHBondContact OE1-NH1 2.92Å; E373-R376 WeakPolarHBondContact OE2-CD 3.41Å; E373-R376 IonicContact OE2-CZ 3.15Å; E373-R376 IonicContact OE2-NH1 3.65Å; E373-R376 PolarHBondContact OE2-NH1 3.41Å; E373-E377 PolarHBondContact O-N 3.32Å; E373-K550 IonicContact OE1-NZ 3.87Å; E373-K550 PolarHBondContact OE1-NZ 3.19Å
374A93.8Very high92.6Very high6 Ų639 Ų395%0.0520%0.2CC..Hα-helixtrans-60.8-46.2172.100000113.2L281 R284 V370 A371 H372 R376 E377 V378L281-A374 HydrophobicContact CD2-CB 3.6Å; R284-A374 HydrophobicContact CG-CB 4.31Å; V370-A374 WeakPolarHBondContact O-CB 3.48Å; V370-A374 PolarHBondContact O-N 3.32Å; A371-A374 WeakPolarHBondContact O-CB 3.48Å; A371-A374 PolarHBondContact O-N 3.14Å; H372-A374 VanDerWaalsContact C-N 3.3Å; H372-A374 PolarHBondContact O-N 2.98Å; A374-R376 VanDerWaalsContact C-N 3.3Å; A374-R376 PolarHBondContact O-N 3.35Å; A374-E377 PolarHBondContact O-N 3.27Å; A374-V378 PolarHBondContact O-N 2.85Å; A374-V378 VanDerWaalsContact O-N 3.08Å
375M96.6Very high92.8Very high2 Ų238.7 Ų38.71%0.0120%0.199CC..Hα-helixtrans-69.2-30.1175.4-68.5-56103.400112.4F280 R284 L287 H348 L351 A371 H372 V378 A379F280-M375 HydrophobicContact CB-CE 4.3Å; F280-M375 HydrophobicContact CD1-CE 4.39Å; F280-M375 HydrophobicContact CD1-CG 3.66Å; F280-M375 HydrophobicContact CD1-SD 3.72Å; F280-M375 HydrophobicContact CE1-CG 4.25Å; F280-M375 HydrophobicContact CE1-SD 4.43Å; F280-M375 HydrophobicContact CG-CG 4.44Å; F280-M375 VanDerWaalsContact O-CE 3.23Å; F280-M375 WeakPolarHBondContact O-CE 3.47Å; R284-M375 HydrophobicContact CB-CE 3.74Å; R284-M375 HydrophobicContact CG-CE 3.96Å; L287-M375 HydrophobicContact CD1-CE 4.24Å; L287-M375 HydrophobicContact CD1-SD 3.74Å; H348-M375 HydrophobicContact CB-CB 4.02Å; L351-M375 HydrophobicContact CD1-CB 4.16Å; L351-M375 HydrophobicContact CD1-CG 3.57Å; A371-M375 WeakPolarHBondContact O-CG 3.41Å; A371-M375 PolarHBondContact O-N 3.27Å; H372-M375 PolarHBondContact O-N 3.44Å; M375-V378 HydrophobicContact CE-CG2 4.37Å; M375-V378 PolarHBondContact O-N 3.03Å; M375-A379 PolarHBondContact O-N 3.46Å
376R94.5Very high92.3Very high106 Ų10639.8 Ų39.840%0.421%0.206SC..Hα-helixtrans-68.4-37.1172.2-179.1172.6164.9-103.5-9.4111.7H348 H372 E373 A374 A379 L380H348-R376 HydrophobicContact CB-CB 4.14Å; H372-R376 WeakPolarHBondContact O-CB 3.46Å; H372-R376 PolarHBondContact O-N 2.95Å; E373-R376 WeakPolarHBondContact O-CB 3.43Å; E373-R376 PolarHBondContact O-N 3.12Å; E373-R376 IonicContact OE1-NH1 2.67Å; E373-R376 PolarHBondContact OE1-NH1 2.92Å; E373-R376 WeakPolarHBondContact OE2-CD 3.41Å; E373-R376 IonicContact OE2-CZ 3.15Å; E373-R376 IonicContact OE2-NH1 3.65Å; E373-R376 PolarHBondContact OE2-NH1 3.41Å; A374-R376 VanDerWaalsContact C-N 3.3Å; A374-R376 PolarHBondContact O-N 3.35Å; R376-A379 PolarHBondContact O-N 3.45Å; R376-L380 HydrophobicContact CG-CD1 4.3Å; R376-L380 WeakPolarHBondContact O-CB 3.32Å; R376-L380 VanDerWaalsContact O-CG 3.27Å; R376-L380 WeakPolarHBondContact O-CG 3.25Å; R376-L380 PolarHBondContact O-N 2.71Å
377E92.4Very high92Very high21 Ų2141.6 Ų41.610%0.09820%0.202CC..Hα-helixtrans-65.2-38.2171.3-79.7179.6-15000112.5E373 A374 L380 S381 K550 L551E373-E377 PolarHBondContact O-N 3.32Å; A374-E377 PolarHBondContact O-N 3.27Å; E377-L380 PolarHBondContact O-N 2.84Å; E377-S381 WeakPolarHBondContact O-CB 3.37Å; E377-S381 PolarHBondContact O-N 2.91Å; E377-K550 WeakPolarHBondContact OE1-CD 3.17Å; E377-K550 VanDerWaalsContact OE1-CG 3.23Å; E377-K550 WeakPolarHBondContact OE1-CG 3.25Å; E377-K550 IonicContact OE1-NZ 3.4Å; E377-K550 PolarHBondContact OE1-NZ 2.83Å; E377-L551 WeakPolarHBondContact OE2-CB 3.38Å; E377-L551 PolarHBondContact OE2-N 3.17Å
378V94.3Very high91.8Very high2 Ų239.5 Ų39.51%0.01219%0.191CC..Hα-helixtrans-60.2-50.3171.2170.80000110.9R284 L287 L288 V344 A374 M375 L380 S381 I382R284-V378 HydrophobicContact CG-CG2 3.59Å; L287-V378 HydrophobicContact CB-CG1 3.84Å; L287-V378 HydrophobicContact CB-CG2 4.47Å; L288-V378 HydrophobicContact CD2-CB 4.43Å; L288-V378 HydrophobicContact CD2-CG1 4.44Å; L288-V378 HydrophobicContact CD2-CG2 4.05Å; V344-V378 HydrophobicContact CG2-CG1 3.95Å; A374-V378 PolarHBondContact O-N 2.85Å; A374-V378 VanDerWaalsContact O-N 3.08Å; M375-V378 HydrophobicContact CE-CG2 4.37Å; M375-V378 PolarHBondContact O-N 3.03Å; V378-L380 VanDerWaalsContact C-N 3.35Å; V378-L380 PolarHBondContact O-N 3.42Å; V378-S381 PolarHBondContact O-N 3.34Å; V378-S381 VanDerWaalsContact O-N 3.16Å; V378-I382 HydrophobicContact CG1-CD1 3.75Å; V378-I382 WeakPolarHBondContact O-CD1 3.21Å; V378-I382 WeakPolarHBondContact O-CG1 3.41Å; V378-I382 PolarHBondContact O-N 3.05Å
379A92Very high91.4Very high4 Ų441.7 Ų41.73%0.03320%0.202CC..Hα-helixtrans-62.2-38.4179.100000112.9L345 M375 R376 N383L345-A379 HydrophobicContact CD2-CB 3.87Å; M375-A379 PolarHBondContact O-N 3.46Å; R376-A379 PolarHBondContact O-N 3.45Å; A379-N383 PolarHBondContact O-N 2.85Å; A379-N383 PolarHBondContact O-ND2 3.46Å
380L90.2Very high90.7Very high77 Ų7740.2 Ų40.240%0.40320%0.195SC..Hα-helixtrans-65-45.4172.2-72.5168.4000111.3R376 E377 V378 I382 N383 D384R376-L380 HydrophobicContact CG-CD1 4.3Å; R376-L380 WeakPolarHBondContact O-CB 3.32Å; R376-L380 VanDerWaalsContact O-CG 3.27Å; R376-L380 WeakPolarHBondContact O-CG 3.25Å; R376-L380 PolarHBondContact O-N 2.71Å; E377-L380 PolarHBondContact O-N 2.84Å; V378-L380 VanDerWaalsContact C-N 3.35Å; V378-L380 PolarHBondContact O-N 3.42Å; L380-I382 VanDerWaalsContact C-N 3.31Å; L380-I382 PolarHBondContact O-N 3.35Å; L380-N383 PolarHBondContact O-N 2.9Å; L380-N383 VanDerWaalsContact O-N 3.17Å; L380-D384 PolarHBondContact O-N 3.15Å
381S91.5Very high90.5Very high9 Ų938 Ų386%0.06318%0.182CC..Hα-helixtrans-60.2-39.1179.5-161.10000112.8E377 V378 D384 V385E377-S381 WeakPolarHBondContact O-CB 3.37Å; E377-S381 PolarHBondContact O-N 2.91Å; V378-S381 PolarHBondContact O-N 3.34Å; V378-S381 VanDerWaalsContact O-N 3.16Å; S381-D384 PolarHBondContact O-N 3.3Å; S381-V385 WeakPolarHBondContact O-CB 3.49Å; S381-V385 WeakPolarHBondContact O-CG2 3.45Å; S381-V385 PolarHBondContact O-N 2.82Å
382I89.7Confident90.2Very high4 Ų439.6 Ų39.62%0.02119%0.19CC..Hα-helixtrans-66-41.3177.5-66.1159000111.2Y290 C294 V344 V378 L380 V385 K386Y290-I382 HydrophobicContact CG-CD1 4.41Å; C294-I382 HydrophobicContact CB-CG2 4.39Å; C294-I382 WeakPolarHBondContact SG-CG2 3.32Å; V344-I382 HydrophobicContact CB-CD1 4.26Å; V344-I382 HydrophobicContact CG1-CD1 3.7Å; V344-I382 HydrophobicContact CG2-CD1 3.53Å; V378-I382 HydrophobicContact CG1-CD1 3.75Å; V378-I382 WeakPolarHBondContact O-CD1 3.21Å; V378-I382 WeakPolarHBondContact O-CG1 3.41Å; V378-I382 PolarHBondContact O-N 3.05Å; L380-I382 VanDerWaalsContact C-N 3.31Å; L380-I382 PolarHBondContact O-N 3.35Å; I382-V385 PolarHBondContact O-N 3.25Å; I382-K386 PolarHBondContact O-N 3.27Å
383N85.6Confident89.6Confident80 Ų8041.1 Ų41.143%0.42820%0.204SC..Hα-helixtrans-67.4-36.1176.3-75.1-54.4000112.8A379 L380 R387A379-N383 PolarHBondContact O-N 2.85Å; A379-N383 PolarHBondContact O-ND2 3.46Å; L380-N383 PolarHBondContact O-N 2.9Å; L380-N383 VanDerWaalsContact O-N 3.17Å; N383-R387 PolarHBondContact O-N 3.04Å
384D89.2Confident89.3Confident31 Ų3139.1 Ų39.117%0.16620%0.196CC..Hα-helixtrans-70.9-45.1174.3-69.8-22.6000111.2L380 S381 K386 R387 D388 T553L380-D384 PolarHBondContact O-N 3.15Å; S381-D384 PolarHBondContact O-N 3.3Å; D384-K386 VanDerWaalsContact C-N 3.3Å; D384-K386 PolarHBondContact O-N 3.47Å; D384-R387 WeakPolarHBondContact O-CB 3.49Å; D384-R387 PolarHBondContact O-N 3.4Å; D384-R387 IonicContact OD1-CZ 3.85Å; D384-R387 VanDerWaalsContact OD1-CZ 3.24Å; D384-R387 IonicContact OD1-NH1 3.44Å; D384-R387 PolarHBondContact OD1-NH1 3Å; D384-R387 IonicContact OD1-NH2 2.74Å; D384-R387 PolarHBondContact OD1-NH2 2.84Å; D384-D388 VanDerWaalsContact O-CG 3.29Å; D384-D388 PolarHBondContact O-N 2.72Å; D384-T553 VanDerWaalsContact OD2-CB 3.28Å; D384-T553 WeakPolarHBondContact OD2-CB 3.5Å; D384-T553 PolarHBondContact OD2-OG1 2.69Å
385V89Confident89.2Confident12 Ų1239 Ų397%0.07320%0.195CC..Hα-helixtrans-57.1-41.8175.4168.50000111.7G291 S381 I382 R387 D388 L389 M555G291-V385 VanDerWaalsContact C-CG1 3.46Å; G291-V385 WeakPolarHBondContact O-CG1 3.39Å; S381-V385 WeakPolarHBondContact O-CB 3.49Å; S381-V385 WeakPolarHBondContact O-CG2 3.45Å; S381-V385 PolarHBondContact O-N 2.82Å; I382-V385 PolarHBondContact O-N 3.25Å; V385-R387 PolarHBondContact O-N 3.03Å; V385-D388 PolarHBondContact O-N 2.88Å; V385-L389 HydrophobicContact CG1-CD1 3.93Å; V385-L389 WeakPolarHBondContact O-CD1 3.14Å; V385-L389 WeakPolarHBondContact O-CG 3.48Å; V385-L389 PolarHBondContact O-N 3.32Å; V385-M555 HydrophobicContact CG1-CB 4.5Å; V385-M555 HydrophobicContact CG1-CG 4.11Å; V385-M555 HydrophobicContact CG1-SD 3.78Å; V385-M555 HydrophobicContact CG2-CB 4.17Å; V385-M555 HydrophobicContact CG2-CG 4.46Å
386K81.1Confident88.9Confident102 Ų10240.5 Ų40.544%0.44320%0.203SC..Hα-helixtrans-59.7-47.1174.5-174.3-175.3172.8-172.80111.7I382 D384 D388 L389 D390I382-K386 PolarHBondContact O-N 3.27Å; D384-K386 VanDerWaalsContact C-N 3.3Å; D384-K386 PolarHBondContact O-N 3.47Å; K386-D388 VanDerWaalsContact C-N 3.3Å; K386-D388 PolarHBondContact O-N 2.83Å; K386-L389 WeakPolarHBondContact O-CB 3.28Å; K386-L389 PolarHBondContact O-N 3.36Å; K386-D390 PolarHBondContact O-N 2.7Å
387R86Confident88.6Confident109 Ų10936.1 Ų36.141%0.41119%0.187SC..Hα-helixtrans-63.7-37.2179.1-162.9-170.7-48.6110.211.2112.1M69 N383 D384 V385 L389 D390 T391M69-R387 HydrophobicContact SD-CG 4.08Å; N383-R387 PolarHBondContact O-N 3.04Å; D384-R387 WeakPolarHBondContact O-CB 3.49Å; D384-R387 PolarHBondContact O-N 3.4Å; D384-R387 IonicContact OD1-CZ 3.85Å; D384-R387 VanDerWaalsContact OD1-CZ 3.24Å; D384-R387 IonicContact OD1-NH1 3.44Å; D384-R387 PolarHBondContact OD1-NH1 3Å; D384-R387 IonicContact OD1-NH2 2.74Å; D384-R387 PolarHBondContact OD1-NH2 2.84Å; V385-R387 PolarHBondContact O-N 3.03Å; R387-L389 VanDerWaalsContact C-N 3.34Å; R387-D390 PolarHBondContact O-N 3.49Å; R387-T391 WeakPolarHBondContact O-CB 3.35Å; R387-T391 PolarHBondContact O-N 2.86Å; R387-T391 PolarHBondContact O-OG1 2.87Å
388D90.2Very high88.5Confident17 Ų1735.1 Ų35.19%0.09118%0.182CC..Hα-helixtrans-65.3-38.3176-72.2-0.5000111.4D384 V385 K386 T391 I392 G554 M555 F556D384-D388 VanDerWaalsContact O-CG 3.29Å; D384-D388 PolarHBondContact O-N 2.72Å; V385-D388 PolarHBondContact O-N 2.88Å; K386-D388 VanDerWaalsContact C-N 3.3Å; K386-D388 PolarHBondContact O-N 2.83Å; D388-T391 WeakPolarHBondContact O-CB 3.47Å; D388-T391 PolarHBondContact O-N 2.86Å; D388-I392 WeakPolarHBondContact O-CB 3.46Å; D388-I392 VanDerWaalsContact O-CG1 3.24Å; D388-I392 WeakPolarHBondContact O-CG1 3.34Å; D388-I392 PolarHBondContact O-N 3.07Å; D388-G554 VanDerWaalsContact OD2-CA 3.28Å; D388-G554 WeakPolarHBondContact OD2-CA 3.21Å; D388-M555 HydrophobicContact CB-CG 3.85Å; D388-M555 PolarHBondContact OD2-N 2.86Å; D388-F556 HydrophobicContact CB-CB 3.74Å; D388-F556 PolarHBondContact OD2-N 3.34Å
389L85.5Confident88.5Confident48 Ų4837.5 Ų37.525%0.25119%0.193SC..Hα-helixtrans-68.4-44.6174.8-73.1161.5000112.5G295 V385 K386 R387 T391 I392 S393 M555G295-L389 VanDerWaalsContact CA-CD1 3.43Å; V385-L389 HydrophobicContact CG1-CD1 3.93Å; V385-L389 WeakPolarHBondContact O-CD1 3.14Å; V385-L389 WeakPolarHBondContact O-CG 3.48Å; V385-L389 PolarHBondContact O-N 3.32Å; K386-L389 WeakPolarHBondContact O-CB 3.28Å; K386-L389 PolarHBondContact O-N 3.36Å; R387-L389 VanDerWaalsContact C-N 3.34Å; L389-T391 PolarHBondContact O-N 2.91Å; L389-I392 PolarHBondContact O-N 3.19Å; L389-S393 VanDerWaalsContact O-CB 3.28Å; L389-S393 WeakPolarHBondContact O-CB 3.28Å; L389-S393 PolarHBondContact O-N 3.15Å; L389-M555 HydrophobicContact CD1-SD 4.05Å; L389-M555 HydrophobicContact CD2-CE 4.18Å; L389-M555 HydrophobicContact CD2-SD 3.54Å; L389-M555 VanDerWaalsContact CD2-SD 3.54Å; L389-M555 HydrophobicContact CG-SD 3.54Å; L389-M555 VanDerWaalsContact CG-SD 3.54Å
390D81.6Confident88.4Confident46 Ų4641.5 Ų41.525%0.24622%0.221CC..Hα-helixtrans-58-37.5172.9-68.1-31.6000110.8K386 R387 S394K386-D390 PolarHBondContact O-N 2.7Å; R387-D390 PolarHBondContact O-N 3.49Å; D390-S394 WeakPolarHBondContact O-CB 3.48Å; D390-S394 PolarHBondContact O-N 2.85Å; D390-S394 VanDerWaalsContact O-N 3.09Å; D390-S394 PolarHBondContact O-OG 3.37Å
391T88.7Confident88.4Confident37 Ų3738.4 Ų38.423%0.22721%0.206CC..Hα-helixtrans-69-49.7175.6-57.50000111.9R387 D388 L389 S393 S394 I395 F556R387-T391 WeakPolarHBondContact O-CB 3.35Å; R387-T391 PolarHBondContact O-N 2.86Å; R387-T391 PolarHBondContact O-OG1 2.87Å; D388-T391 WeakPolarHBondContact O-CB 3.47Å; D388-T391 PolarHBondContact O-N 2.86Å; L389-T391 PolarHBondContact O-N 2.91Å; T391-S393 VanDerWaalsContact C-N 3.33Å; T391-S393 PolarHBondContact O-N 2.9Å; T391-S394 PolarHBondContact O-N 3.25Å; T391-I395 HydrophobicContact CG2-CD1 4Å; T391-I395 VanDerWaalsContact O-CG1 3.3Å; T391-I395 WeakPolarHBondContact O-CG1 3.24Å; T391-I395 PolarHBondContact O-N 2.59Å; T391-F556 HydrophobicContact CG2-CE1 4.4Å
392I90.3Very high88.5Confident33 Ų3338.5 Ų38.517%0.16921%0.205CC..Hα-helixtrans-60.5-43.3177.7-71.7162.2000110.6D388 L389 S394 I395 D396 F556D388-I392 WeakPolarHBondContact O-CB 3.46Å; D388-I392 VanDerWaalsContact O-CG1 3.24Å; D388-I392 WeakPolarHBondContact O-CG1 3.34Å; D388-I392 PolarHBondContact O-N 3.07Å; L389-I392 PolarHBondContact O-N 3.19Å; I392-S394 PolarHBondContact O-N 2.74Å; I392-I395 PolarHBondContact O-N 3.03Å; I392-I395 VanDerWaalsContact O-N 3.15Å; I392-D396 PolarHBondContact O-N 3.14Å; I392-F556 HydrophobicContact CD1-CB 4.08Å; I392-F556 HydrophobicContact CD1-CD2 3.96Å; I392-F556 HydrophobicContact CD1-CG 4.15Å; I392-F556 HydrophobicContact CG1-CB 4.5Å; I392-F556 HydrophobicContact CG1-CD2 3.93Å; I392-F556 HydrophobicContact CG1-CE2 4.28Å; I392-F556 HydrophobicContact CG1-CG 4.11Å
393S85.6Confident88.5Confident62 Ų6241.1 Ų41.143%0.43422%0.219SC..Hα-helixtrans-58.3-47.2176-173.30000111.4L389 T391 I395 D396 Q397L389-S393 VanDerWaalsContact O-CB 3.28Å; L389-S393 WeakPolarHBondContact O-CB 3.28Å; L389-S393 PolarHBondContact O-N 3.15Å; T391-S393 VanDerWaalsContact C-N 3.33Å; T391-S393 PolarHBondContact O-N 2.9Å; S393-I395 VanDerWaalsContact C-N 3.3Å; S393-I395 PolarHBondContact O-N 3.35Å; S393-D396 PolarHBondContact O-N 2.73Å; S393-Q397 WeakPolarHBondContact O-CG 3.26Å; S393-Q397 PolarHBondContact O-N 3.16Å
394S87.1Confident88.5Confident14 Ų1443.8 Ų43.810%0.09823%0.229CC..Hα-helixtrans-62.9-33.8176-57.80000112.8S67 D390 T391 I392 Q397 I398S67-S394 PolarHBondContact OG-OG 2.72Å; D390-S394 WeakPolarHBondContact O-CB 3.48Å; D390-S394 PolarHBondContact O-N 2.85Å; D390-S394 VanDerWaalsContact O-N 3.09Å; D390-S394 PolarHBondContact O-OG 3.37Å; T391-S394 PolarHBondContact O-N 3.25Å; I392-S394 PolarHBondContact O-N 2.74Å; S394-Q397 WeakPolarHBondContact O-CB 3.45Å; S394-I398 WeakPolarHBondContact O-CG1 3.3Å; S394-I398 PolarHBondContact O-N 3.11Å; S394-I398 VanDerWaalsContact O-N 3.07Å
395I92.1Very high88.2Confident2 Ų244 Ų441%0.0123%0.23CC..Hα-helixtrans-73.7-36.9175.4-64.4170.9000111.7T391 I392 S393 I398 Q399 L413 F443 F556T391-I395 HydrophobicContact CG2-CD1 4Å; T391-I395 VanDerWaalsContact O-CG1 3.3Å; T391-I395 WeakPolarHBondContact O-CG1 3.24Å; T391-I395 PolarHBondContact O-N 2.59Å; I392-I395 PolarHBondContact O-N 3.03Å; I392-I395 VanDerWaalsContact O-N 3.15Å; S393-I395 VanDerWaalsContact C-N 3.3Å; S393-I395 PolarHBondContact O-N 3.35Å; I395-I398 PolarHBondContact O-N 3.18Å; I395-Q399 WeakPolarHBondContact O-CB 3.37Å; I395-Q399 PolarHBondContact O-N 3.2Å; I395-L413 HydrophobicContact CG2-CB 3.86Å; I395-L413 HydrophobicContact CG2-CD2 4.11Å; I395-L413 HydrophobicContact CG2-CG 3.79Å; I395-F443 HydrophobicContact CD1-CE1 4.13Å; I395-F443 HydrophobicContact CG1-CE1 4.02Å; I395-F443 HydrophobicContact CG2-CE1 3.94Å; I395-F443 HydrophobicContact CG2-CZ 4.4Å; I395-F556 HydrophobicContact CD1-CE1 4.3Å; I395-F556 HydrophobicContact CD1-CZ 4.19Å
396D90.1Very high87.8Confident35 Ų3551.7 Ų51.719%0.18727%0.267CS..Hα-helixtrans-72.4-29.6174.9-81.5-8.9000111.9I392 S393 S400 R412I392-D396 PolarHBondContact O-N 3.14Å; S393-D396 PolarHBondContact O-N 2.73Å; D396-S400 WeakPolarHBondContact O-CB 3.42Å; D396-S400 PolarHBondContact O-N 2.91Å; D396-S400 PolarHBondContact O-OG 3.38Å; D396-R412 IonicContact OD2-CZ 3.04Å; D396-R412 IonicContact OD2-NH1 2.63Å; D396-R412 PolarHBondContact OD2-NH1 3.47Å
397Q88.3Confident87.7Confident14 Ų1449 Ų497%0.06526%0.257CS..Hα-helixtrans-60.3-51.8165.2-73.5169.7-8.100110.7K64 F66 L76 S393 S394 Q399 S400 S401K64-Q397 PolarHBondContact O-NE2 3.18Å; F66-Q397 PolarHBondContact O-NE2 2.91Å; L76-Q397 VanDerWaalsContact CD2-OE1 3.25Å; S393-Q397 WeakPolarHBondContact O-CG 3.26Å; S393-Q397 PolarHBondContact O-N 3.16Å; S394-Q397 WeakPolarHBondContact O-CB 3.45Å; Q397-Q399 PolarHBondContact O-N 3.32Å; Q397-S400 WeakPolarHBondContact O-CB 3.43Å; Q397-S400 PolarHBondContact O-N 3.47Å; Q397-S400 VanDerWaalsContact O-N 3.14Å; Q397-S401 PolarHBondContact O-N 3.25Å
398I91.1Very high87.4Confident0 Ų046.2 Ų46.20%025%0.254CS..Hα-helixtrans-56.9-50.5176.1-71.6164.2000110.4F75 S394 I395 S400 S401 L402 L413 L419 F441F75-I398 HydrophobicContact CD1-CD1 4.33Å; F75-I398 HydrophobicContact CD1-CG1 3.42Å; F75-I398 VanDerWaalsContact CD1-CG1 3.42Å; F75-I398 HydrophobicContact CE1-CB 4.44Å; F75-I398 HydrophobicContact CE1-CG1 3.66Å; F75-I398 HydrophobicContact CG-CG1 4.37Å; S394-I398 WeakPolarHBondContact O-CG1 3.3Å; S394-I398 PolarHBondContact O-N 3.11Å; S394-I398 VanDerWaalsContact O-N 3.07Å; I395-I398 PolarHBondContact O-N 3.18Å; I398-S400 PolarHBondContact O-N 2.87Å; I398-S401 WeakPolarHBondContact O-CA 3.4Å; I398-S401 WeakPolarHBondContact O-CB 3.29Å; I398-S401 PolarHBondContact O-N 3.43Å; I398-S401 PolarHBondContact O-OG 3.1Å; I398-L402 WeakPolarHBondContact O-CG 3.36Å; I398-L402 PolarHBondContact O-N 3.01Å; I398-L413 HydrophobicContact CB-CD2 4.46Å; I398-L413 HydrophobicContact CG2-CD2 3.83Å; I398-L419 HydrophobicContact CD1-CD1 4.45Å; I398-L419 HydrophobicContact CD1-CD2 3.66Å; I398-F441 HydrophobicContact CD1-CD1 4.31Å; I398-F441 HydrophobicContact CD1-CE1 4.33Å; I398-F441 HydrophobicContact CG1-CE1 4.15Å; I398-F441 HydrophobicContact CG2-CD1 3.76Å; I398-F441 HydrophobicContact CG2-CE1 3.65Å; I398-F441 HydrophobicContact CG2-CG 4.33Å; I398-F441 HydrophobicContact CG2-CZ 4.11Å
399Q92.9Very high86.7Confident52 Ų5252.3 Ų52.324%0.24329%0.294CS..Hα-helixtrans-56.5-37178.6-168.3-171.6-93.400112I395 Q397 S401 L402 L413I395-Q399 WeakPolarHBondContact O-CB 3.37Å; I395-Q399 PolarHBondContact O-N 3.2Å; Q397-Q399 PolarHBondContact O-N 3.32Å; Q399-S401 PolarHBondContact O-N 3.26Å; Q399-L402 PolarHBondContact O-N 2.62Å; Q399-L413 HydrophobicContact CB-CB 4.09Å; Q399-L413 HydrophobicContact CB-CD2 4.05Å; Q399-L413 HydrophobicContact CG-CB 4.1Å
400S90.4Very high86.4Confident87 Ų8755.9 Ų55.961%0.60831%0.313SS*.Hα-helixtrans-67.7-21.9176.3-57.80000113.5D396 Q397 I398D396-S400 WeakPolarHBondContact O-CB 3.42Å; D396-S400 PolarHBondContact O-N 2.91Å; D396-S400 PolarHBondContact O-OG 3.38Å; Q397-S400 WeakPolarHBondContact O-CB 3.43Å; Q397-S400 PolarHBondContact O-N 3.47Å; Q397-S400 VanDerWaalsContact O-N 3.14Å; I398-S400 PolarHBondContact O-N 2.87Å
401S91Very high86.5Confident12 Ų1258.1 Ų58.18%0.08432%0.321CS..Hα-helixtrans-87.2-15.9175.579.80000114.1Q397 I398 Q399 L403 F457Q397-S401 PolarHBondContact O-N 3.25Å; I398-S401 WeakPolarHBondContact O-CA 3.4Å; I398-S401 WeakPolarHBondContact O-CB 3.29Å; I398-S401 PolarHBondContact O-N 3.43Å; I398-S401 PolarHBondContact O-OG 3.1Å; Q399-S401 PolarHBondContact O-N 3.26Å; S401-L403 PolarHBondContact O-N 3.04Å; S401-F457 PolarHBondContact O-N 2.69Å; S401-F457 WeakPolarHBondContact OG-CD2 3.27Å
402L92.2Very high86.6Confident11 Ų1163.2 Ų63.26%0.05834%0.336CS..EExtended strand (participates in β ladder)trans-81.4104-178.8-59.8-171.2000110.6I398 Q399 I405 L413 F441 I448 F457I398-L402 WeakPolarHBondContact O-CG 3.36Å; I398-L402 PolarHBondContact O-N 3.01Å; Q399-L402 PolarHBondContact O-N 2.62Å; L402-I405 HydrophobicContact CB-CB 4.21Å; L402-I405 HydrophobicContact CB-CG2 3.8Å; L402-I405 HydrophobicContact CD1-CD1 3.67Å; L402-L413 HydrophobicContact CD1-CD2 4.01Å; L402-F441 HydrophobicContact CD2-CD2 4.17Å; L402-F441 HydrophobicContact CD2-CE2 3.67Å; L402-F441 HydrophobicContact CD2-CZ 4.29Å; L402-I448 HydrophobicContact CD1-CD1 4.1Å; L402-F457 CarbonylContact C-O 3.52Å; L402-F457 WeakPolarHBondContact CA-O 3.49Å; L402-F457 HydrophobicContact CD2-CB 3.82Å
403L89.5Confident86.6Confident59 Ų5961.7 Ų61.731%0.30933%0.328SS..EExtended strand (participates in β ladder)trans-77.3148172.1-56.1-179.5000110.5S401 I405 K453 S456 F457 F459S401-L403 PolarHBondContact O-N 3.04Å; L403-I405 PolarHBondContact O-N 3.45Å; L403-K453 HydrophobicContact CD1-CD 4.25Å; L403-S456 WeakPolarHBondContact CD1-OG 3.37Å; L403-F457 PolarHBondContact N-O 2.73Å; L403-F459 VanDerWaalsContact O-CB 3.26Å; L403-F459 WeakPolarHBondContact O-CB 3.35Å; L403-F459 PolarHBondContact O-N 3.36Å
404E85.8Confident87Confident137 Ų13759.4 Ų59.464%0.6431%0.312SS*.THydrogen-bonded Turntrans63.18.7172.6-59.5159.7-124.300114.8M406 T458E404-M406 PolarHBondContact O-N 3.49Å; E404-T458 WeakPolarHBondContact OE1-CG2 3.46Å
405I84.6Confident87.2Confident35 Ų3560.7 Ų60.718%0.17932%0.321CS..  trans-71129.1172.3-168.4169.8000110.8L402 L403 L407 I448 F459L402-I405 HydrophobicContact CB-CB 4.21Å; L402-I405 HydrophobicContact CB-CG2 3.8Å; L402-I405 HydrophobicContact CD1-CD1 3.67Å; L403-I405 PolarHBondContact O-N 3.45Å; I405-L407 HydrophobicContact CD1-CD2 3.85Å; I405-L407 HydrophobicContact CD1-CG 4.1Å; I405-L407 HydrophobicContact CG1-CD2 4.1Å; I405-L407 HydrophobicContact CG1-CG 4.17Å; I405-I448 HydrophobicContact CD1-CD1 4.12Å; I405-F459 HydrophobicContact CB-CB 4.09Å; I405-F459 HydrophobicContact CB-CD2 4.21Å; I405-F459 HydrophobicContact CB-CG 4.14Å; I405-F459 HydrophobicContact CD1-CD2 4.21Å; I405-F459 HydrophobicContact CD1-CE2 4.44Å; I405-F459 HydrophobicContact CG1-CD2 3.95Å; I405-F459 HydrophobicContact CG1-CE2 4.24Å; I405-F459 HydrophobicContact CG1-CG 4.27Å
406M78.9Confident87.2Confident173 Ų17362.5 Ų62.585%0.85233%0.328SS*.  trans-111.796.2173.3-64.3-139.973.200109.7E404E404-M406 PolarHBondContact O-N 3.49Å
407L79.1Confident87.4Confident45 Ų4560.9 Ų60.924%0.23632%0.319CS..  trans-86.8152.9168.1-62-175.8000110.3I405 L413 Y416I405-L407 HydrophobicContact CD1-CD2 3.85Å; I405-L407 HydrophobicContact CD1-CG 4.1Å; I405-L407 HydrophobicContact CG1-CD2 4.1Å; I405-L407 HydrophobicContact CG1-CG 4.17Å; L407-L413 HydrophobicContact CD1-CB 4.39Å; L407-Y416 HydrophobicContact CD2-CE2 3.99Å
408P80.1Confident87.6Confident52 Ų5262.6 Ų62.634%0.33833%0.327SS..  trans-53.9143.8165.6-2737.4000111.3D410 K411P408-D410 WeakPolarHBondContact CB-OD1 3.35Å; P408-D410 PolarHBondContact O-N 3.46Å; P408-K411 HydrophobicContact CB-CB 4.32Å; P408-K411 HydrophobicContact CB-CD 4.26Å; P408-K411 HydrophobicContact CB-CG 4.29Å; P408-K411 HydrophobicContact CG-CD 4.15Å; P408-K411 PolarHBondContact O-N 3.03Å
409P76.3Confident87.7Confident144 Ų14464.5 Ų64.594%0.93534%0.337SS*.THydrogen-bonded Turntrans-65.7-16-170.927.3-35.9000114.2
410D78.5Confident87.8Confident124 Ų12463.6 Ų63.666%0.66333%0.333SS*.THydrogen-bonded Turntrans-88.9-7174.164.3-55.1000113.9P408P408-D410 WeakPolarHBondContact CB-OD1 3.35Å; P408-D410 PolarHBondContact O-N 3.46Å
411K83.7Confident87.9Confident92 Ų9260.5 Ų60.540%0.431%0.309SS..  trans-121.1130.7-169.2-66.6-174.8-173.4172.80113.8P408P408-K411 HydrophobicContact CB-CB 4.32Å; P408-K411 HydrophobicContact CB-CD 4.26Å; P408-K411 HydrophobicContact CB-CG 4.29Å; P408-K411 HydrophobicContact CG-CD 4.15Å; P408-K411 PolarHBondContact O-N 3.03Å
412R90.1Very high88.1Confident145 Ų14560.1 Ų60.155%0.54731%0.306SS..  trans-93.4164.1161.2-61.8-169.6-170.5-175.46.1110.9D396 S414 S415D396-R412 IonicContact OD2-CZ 3.04Å; D396-R412 IonicContact OD2-NH1 2.63Å; D396-R412 PolarHBondContact OD2-NH1 3.47Å; R412-S414 PolarHBondContact O-N 2.9Å; R412-S415 VanDerWaalsContact O-CB 3.28Å; R412-S415 WeakPolarHBondContact O-CB 3.36Å; R412-S415 PolarHBondContact O-N 3.28Å; R412-S415 PolarHBondContact O-OG 2.93Å
413L92.1Very high88.1Confident0 Ų059.8 Ų59.80%031%0.305CS..G310 helixtrans-55.6-35.4173.9-176.754.2000112.2I395 I398 Q399 L402 L407 S415 Y416 F443 I446 I448I395-L413 HydrophobicContact CG2-CB 3.86Å; I395-L413 HydrophobicContact CG2-CD2 4.11Å; I395-L413 HydrophobicContact CG2-CG 3.79Å; I398-L413 HydrophobicContact CB-CD2 4.46Å; I398-L413 HydrophobicContact CG2-CD2 3.83Å; Q399-L413 HydrophobicContact CB-CB 4.09Å; Q399-L413 HydrophobicContact CB-CD2 4.05Å; Q399-L413 HydrophobicContact CG-CB 4.1Å; L402-L413 HydrophobicContact CD1-CD2 4.01Å; L407-L413 HydrophobicContact CD1-CB 4.39Å; L413-S415 PolarHBondContact O-N 3.05Å; L413-Y416 WeakPolarHBondContact O-CD2 3.08Å; L413-Y416 PolarHBondContact O-N 3.43Å; L413-Y416 VanDerWaalsContact O-N 3.11Å; L413-F443 HydrophobicContact CD1-CD2 4.12Å; L413-F443 HydrophobicContact CD1-CE1 4.37Å; L413-F443 HydrophobicContact CD1-CE2 3.69Å; L413-F443 HydrophobicContact CD1-CZ 3.84Å; L413-F443 HydrophobicContact CD2-CE1 4.38Å; L413-F443 HydrophobicContact CD2-CE2 4Å; L413-F443 HydrophobicContact CD2-CZ 3.57Å; L413-F443 HydrophobicContact CG-CE1 3.98Å; L413-F443 HydrophobicContact CG-CE2 3.96Å; L413-F443 HydrophobicContact CG-CZ 3.56Å; L413-I446 HydrophobicContact CD1-CD1 4.17Å; L413-I448 HydrophobicContact CD1-CD1 3.44Å; L413-I448 VanDerWaalsContact CD1-CD1 3.44Å
414S92.4Very high88.2Confident15 Ų1559.4 Ų59.411%0.10530%0.302CS..G310 helixtrans-60.7-22.6173.953.90000113.9R412 Y416 G417 F556 F557R412-S414 PolarHBondContact O-N 2.9Å; S414-Y416 PolarHBondContact O-N 2.89Å; S414-Y416 VanDerWaalsContact O-N 3.12Å; S414-G417 PolarHBondContact O-N 2.82Å; S414-F556 WeakPolarHBondContact O-CE2 3.49Å; S414-F556 WeakPolarHBondContact O-CZ 3.4Å; S414-F557 WeakPolarHBondContact O-CE2 3.28Å
415S92Very high88.6Confident41 Ų4152.9 Ų52.929%0.28727%0.271SS..G310 helixtrans-65.4-1517571.80000114.1R412 L413 F557R412-S415 VanDerWaalsContact O-CB 3.28Å; R412-S415 WeakPolarHBondContact O-CB 3.36Å; R412-S415 PolarHBondContact O-N 3.28Å; R412-S415 PolarHBondContact O-OG 2.93Å; L413-S415 PolarHBondContact O-N 3.05Å; S415-F557 WeakPolarHBondContact O-CZ 3.47Å
416Y92.6Very high88.9Confident40 Ų4054.3 Ų54.316%0.15728%0.276CS..G310 helixtrans-90.81.9175.6-58.6-86.6000113.8L407 L413 S414 K445 I446L407-Y416 HydrophobicContact CD2-CE2 3.99Å; L413-Y416 WeakPolarHBondContact O-CD2 3.08Å; L413-Y416 PolarHBondContact O-N 3.43Å; L413-Y416 VanDerWaalsContact O-N 3.11Å; S414-Y416 PolarHBondContact O-N 2.89Å; S414-Y416 VanDerWaalsContact O-N 3.12Å; Y416-K445 VanDerWaalsContact O-CB 3.3Å; Y416-K445 WeakPolarHBondContact O-CB 3.45Å; Y416-K445 WeakPolarHBondContact O-CG 3.48Å; Y416-K445 PolarHBondContact O-N 3.49Å; Y416-I446 HydrophobicContact CD1-CB 4.49Å; Y416-I446 HydrophobicContact CD1-CD1 3.84Å; Y416-I446 HydrophobicContact CD1-CG1 4.19Å; Y416-I446 HydrophobicContact CD1-CG2 3.56Å; Y416-I446 HydrophobicContact CD2-CD1 3.81Å; Y416-I446 HydrophobicContact CE1-CD1 4.32Å; Y416-I446 HydrophobicContact CE1-CG2 4.02Å; Y416-I446 HydrophobicContact CE2-CD1 4.33Å; Y416-I446 HydrophobicContact CG-CD1 3.53Å; Y416-I446 HydrophobicContact CG-CG1 4Å; Y416-I446 HydrophobicContact CG-CG2 4.25Å
417G93.3Very high89.5Confident0 Ų046.4 Ų46.40%024%0.238CC..  trans104.8-162.3173.800000114.3S414 F443 D444 F556S414-G417 PolarHBondContact O-N 2.82Å; G417-F443 WeakPolarHBondContact O-CD1 3.42Å; G417-D444 WeakPolarHBondContact CA-OD2 3.42Å; G417-F556 WeakPolarHBondContact O-CZ 3.34Å
418H93.5Very high90Very high50 Ų5046.7 Ų46.723%0.23124%0.239CC..  trans-74145.7179.6-50.482000110.8H420 F443 D444 F556H418-H420 PolarHBondContact O-CD2 2.83Å; H418-F443 CarbonylContact O-C 3.53Å; H418-F443 WeakPolarHBondContact O-CA 3.26Å; H418-D444 IonicContact CE1-OD2 3.85Å; H418-D444 IonicContact CG-OD2 2.9Å; H418-D444 PolarHBondContact N-OD2 3.27Å; H418-D444 IonicContact ND1-OD2 2.72Å; H418-D444 PolarHBondContact ND1-OD2 2.97Å; H418-D444 PolarHBondContact O-N 3.14Å; H418-F556 AromaticContact CD2-CD1 3.75Å; H418-F556 AromaticContact CD2-CE1 3.7Å; H418-F556 AromaticContact CG-CE1 4Å; H418-F556 AromaticContact NE2-CD1 3.59Å; H418-F556 AromaticContact NE2-CE1 3.89Å
419L93.9Very high90.2Very high40 Ų4045.8 Ų45.821%0.20923%0.234CC..EExtended strand (participates in β ladder)trans-71.4128.5163.2-176.977.6000109.1I398 D422 F441 F443I398-L419 HydrophobicContact CD1-CD1 4.45Å; I398-L419 HydrophobicContact CD1-CD2 3.66Å; L419-D422 HydrophobicContact CD1-CB 4.48Å; L419-F441 HydrophobicContact CD1-CB 4.24Å; L419-F441 HydrophobicContact CD1-CD1 4.33Å; L419-F443 HydrophobicContact CB-CD1 4.25Å; L419-F443 HydrophobicContact CB-CE1 3.94Å; L419-F443 HydrophobicContact CB-CZ 4.45Å; L419-F443 HydrophobicContact CD1-CD2 4.44Å; L419-F443 HydrophobicContact CD1-CE1 4.08Å; L419-F443 HydrophobicContact CD1-CE2 3.99Å; L419-F443 HydrophobicContact CD1-CZ 3.78Å
420H93.2Very high90.1Very high33 Ų3345.4 Ų45.415%0.15322%0.22CC..EExtended strand (participates in β ladder)trans-98.7-37.9173.1-71.5-100.1000112.4H418 L442 D444 A514 A517 A518H418-H420 PolarHBondContact O-CD2 2.83Å; H420-L442 HydrophobicContact CB-CD2 4.18Å; H420-L442 HydrophobicContact CB-CG 4.36Å; H420-L442 PolarHBondContact N-O 2.94Å; H420-D444 IonicContact CD2-OD1 3.05Å; H420-D444 IonicContact CE1-OD1 3.78Å; H420-D444 IonicContact NE2-OD1 3.72Å; H420-D444 PolarHBondContact NE2-OD1 3.03Å; H420-A514 HydrophobicContact CB-CB 4.05Å; H420-A517 WeakPolarHBondContact ND1-CB 3.32Å; H420-A518 PolarHBondContact CE1-N 2.91Å
421M93.3Very high89.9Confident22 Ų2244.5 Ų44.511%0.10822%0.223CC..EExtended strand (participates in β ladder)trans-164145.7-176.9-167.2167.2-17400111.4L442 L507 A510 W511 A514M421-L442 PolarHBondContact O-N 3.31Å; M421-L507 HydrophobicContact CE-CD1 3.64Å; M421-A510 HydrophobicContact CE-CB 3.82Å; M421-A510 HydrophobicContact SD-CB 4.15Å; M421-W511 HydrophobicContact CB-CE3 4.3Å; M421-W511 HydrophobicContact CB-CH2 4.21Å; M421-W511 HydrophobicContact CB-CZ3 4Å; M421-W511 HydrophobicContact CE-CD2 4.22Å; M421-W511 HydrophobicContact CE-CG 4.18Å; M421-W511 HydrophobicContact CE-CZ2 4.48Å; M421-W511 HydrophobicContact CG-CD2 4.25Å; M421-W511 HydrophobicContact CG-CE3 4.24Å; M421-W511 HydrophobicContact CG-CH2 4Å; M421-W511 HydrophobicContact CG-CZ2 4.02Å; M421-W511 HydrophobicContact CG-CZ3 4.12Å; M421-W511 HydrophobicContact SD-CB 4.39Å; M421-W511 HydrophobicContact SD-CD2 3.62Å; M421-W511 HydrophobicContact SD-CE3 3.98Å; M421-W511 HydrophobicContact SD-CG 3.82Å; M421-W511 HydrophobicContact SD-CZ2 4.35Å; M421-W511 HydrophobicContact SD-CZ3 4.46Å; M421-A514 HydrophobicContact CB-CB 3.81Å; M421-A514 HydrophobicContact SD-CB 4.17Å
422D94.8Very high89.6Confident5 Ų543.1 Ų43.13%0.02722%0.218CC..EExtended strand (participates in β ladder)trans-136.6161163.972.7-109.6000112.4N72 S73 Q74 F75 L419 Y439 L440 F441N72-D422 PolarHBondContact O-N 2.75Å; S73-D422 VanDerWaalsContact CA-OD1 3.24Å; S73-D422 WeakPolarHBondContact CA-OD1 3.45Å; S73-D422 WeakPolarHBondContact CB-OD1 3.23Å; S73-D422 PolarHBondContact OG-OD1 2.82Å; Q74-D422 PolarHBondContact N-OD2 2.69Å; F75-D422 PolarHBondContact N-OD2 3.23Å; L419-D422 HydrophobicContact CD1-CB 4.48Å; D422-Y439 HydrophobicContact CB-CE1 3.91Å; D422-Y439 WeakPolarHBondContact OD2-CE1 3.48Å; D422-Y439 PolarHBondContact OD2-OH 2.98Å; D422-L440 WeakPolarHBondContact CA-O 3.49Å; D422-L440 WeakPolarHBondContact CB-O 3.42Å; D422-F441 HydrophobicContact CB-CB 4.41Å; D422-F441 HydrophobicContact CB-CD1 3.37Å; D422-F441 HydrophobicContact CB-CE1 3.84Å; D422-F441 HydrophobicContact CB-CG 4.04Å
423G93.1Very high88.9Confident3 Ų344.3 Ų44.33%0.03124%0.235CC..EExtended strand (participates in β ladder)trans157.9178176.400000115.7Q74 Y439 L440Q74-G423 VanDerWaalsContact OE1-CA 3.25Å; G423-Y439 WeakPolarHBondContact O-CA 3.21Å; G423-L440 PolarHBondContact N-O 3.47Å; G423-L440 VanDerWaalsContact N-O 3.08Å; G423-L440 PolarHBondContact O-N 3.32Å
424E91.9Very high88.5Confident51 Ų5152.5 Ų52.524%0.23827%0.271CS..EExtended strand (participates in β ladder)trans-85130.4-178.4-169.4-162.463.400113.5T437 R438 Y439 Y481 K503E424-T437 HydrophobicContact CG-CG2 3.59Å; E424-T437 WeakPolarHBondContact OE2-CG2 3.45Å; E424-R438 WeakPolarHBondContact CA-O 3.5Å; E424-Y439 HydrophobicContact CB-CD2 4.25Å; E424-Y481 PolarHBondContact OE1-OH 3.29Å; E424-K503 WeakPolarHBondContact OE1-CE 3.43Å; E424-K503 IonicContact OE1-NZ 3.91Å; E424-K503 PolarHBondContact OE1-NZ 2.75Å; E424-K503 VanDerWaalsContact OE1-NZ 3.15Å
425V92.9Very high88.2Confident0 Ų053.7 Ų53.70%028%0.282CS..EExtended strand (participates in β ladder)trans-134.7173.7174.8-55.20000111.1V427 T437 R438 L440 F500 F501 T502 W511V425-V427 HydrophobicContact CG2-CG2 3.83Å; V425-T437 WeakPolarHBondContact O-CA 3.32Å; V425-R438 PolarHBondContact N-O 2.82Å; V425-R438 PolarHBondContact O-N 2.88Å; V425-R438 VanDerWaalsContact O-O 3.05Å; V425-L440 HydrophobicContact CB-CD1 4.44Å; V425-L440 HydrophobicContact CG1-CD1 3.89Å; V425-L440 HydrophobicContact CG1-CG 4.37Å; V425-L440 HydrophobicContact CG2-CD1 3.71Å; V425-L440 HydrophobicContact CG2-CD2 4.26Å; V425-L440 HydrophobicContact CG2-CG 3.68Å; V425-F500 HydrophobicContact CG2-CD1 4.34Å; V425-F501 WeakPolarHBondContact CB-O 3.3Å; V425-T502 HydrophobicContact CG1-CG2 4.01Å; V425-W511 HydrophobicContact CG1-CZ2 4.43Å
426K92.3Very high88.2Confident65 Ų6555.8 Ų55.828%0.28329%0.286SS..EExtended strand (participates in β ladder)trans-107.5130.1160.3-73.4-179.5-175.51720110.3A435 K436 Y481 F500 F501K426-A435 HydrophobicContact CB-CB 4.12Å; K426-K436 CarbonylContact C-O 3.59Å; K426-K436 WeakPolarHBondContact CA-O 3.3Å; K426-Y481 HydrophobicContact CB-CD1 4.06Å; K426-Y481 HydrophobicContact CB-CG 4.48Å; K426-Y481 HydrophobicContact CD-CD1 3.89Å; K426-Y481 HydrophobicContact CD-CD2 3.82Å; K426-Y481 HydrophobicContact CD-CE1 4.27Å; K426-Y481 HydrophobicContact CD-CE2 4.2Å; K426-Y481 HydrophobicContact CD-CG 3.64Å; K426-Y481 VanDerWaalsContact CE-CE2 3.49Å; K426-Y481 HydrophobicContact CG-CD1 3.71Å; K426-Y481 HydrophobicContact CG-CD2 4.47Å; K426-Y481 HydrophobicContact CG-CE1 3.88Å; K426-Y481 HydrophobicContact CG-CG 4.02Å; K426-F500 CarbonylContact O-C 3.6Å; K426-F501 HydrophobicContact CB-CB 4.28Å; K426-F501 PolarHBondContact N-O 2.72Å; K426-F501 PolarHBondContact O-N 2.89Å
427V91.3Very high88.1Confident8 Ų856.4 Ų56.45%0.04829%0.294CS..EExtended strand (participates in β ladder)trans-106.6129.5179.6-175.90000109.2V425 A435 K436 R438 L498 F500V425-V427 HydrophobicContact CG2-CG2 3.83Å; V427-A435 CarbonylContact O-C 3.47Å; V427-A435 VanDerWaalsContact O-CA 3.23Å; V427-A435 WeakPolarHBondContact O-CA 3.19Å; V427-K436 PolarHBondContact N-O 3.25Å; V427-K436 PolarHBondContact O-N 3.3Å; V427-R438 HydrophobicContact CB-CG 4.18Å; V427-R438 HydrophobicContact CG2-CB 3.82Å; V427-R438 HydrophobicContact CG2-CG 3.76Å; V427-L498 HydrophobicContact CG1-CB 4.3Å; V427-L498 HydrophobicContact CG1-CD1 4.06Å; V427-L498 HydrophobicContact CG1-CD2 3.97Å; V427-L498 HydrophobicContact CG1-CG 4.35Å; V427-F500 HydrophobicContact CG1-CE1 4.32Å; V427-F500 HydrophobicContact CG2-CD1 3.83Å; V427-F500 HydrophobicContact CG2-CE1 3.98Å
428L89Confident88.2Confident51 Ų5158 Ų5827%0.26730%0.3SS..EExtended strand (participates in β ladder)trans-110.2133169-171.972.4000108.6E432 A435 L498 T499 F501L428-E432 WeakPolarHBondContact CD1-O 3.37Å; L428-A435 HydrophobicContact CB-CB 4.02Å; L428-A435 HydrophobicContact CD1-CB 4.05Å; L428-L498 WeakPolarHBondContact O-CA 3.25Å; L428-T499 PolarHBondContact N-O 2.87Å; L428-T499 PolarHBondContact O-N 2.84Å; L428-F501 HydrophobicContact CB-CD2 4.48Å; L428-F501 HydrophobicContact CB-CE2 3.82Å; L428-F501 HydrophobicContact CD2-CE2 4.19Å
429S83.6Confident88.3Confident33 Ų3356.2 Ų56.223%0.23129%0.291CS..  trans-108.9148.5170.1175.60000108.2S431 E432S429-S431 PolarHBondContact O-N 3.07Å; S429-S431 VanDerWaalsContact O-N 3.15Å; S429-S431 PolarHBondContact OG-OG 2.84Å; S429-E432 PolarHBondContact O-N 3.45Å
430E74.8Confident88.3Confident136 Ų13654.3 Ų54.364%0.63628%0.281SS*.THydrogen-bonded Turntrans-55.3-31.4174.9-67.5-177153.600112.5E432 N497E430-E432 VanDerWaalsContact C-N 3.26Å; E430-E432 PolarHBondContact O-N 2.95Å; E430-N497 HydrophobicContact CG-CB 3.78Å; E430-N497 WeakPolarHBondContact OE1-CB 3.26Å; E430-N497 PolarHBondContact OE1-ND2 2.81Å
431S73.9Confident88.5Confident105 Ų10552.8 Ų52.873%0.73427%0.274SS*.THydrogen-bonded Turntrans-76.2-0.1175.353.90000115.2S429S429-S431 PolarHBondContact O-N 3.07Å; S429-S431 VanDerWaalsContact O-N 3.15Å; S429-S431 PolarHBondContact OG-OG 2.84Å
432E78.2Confident88.6Confident63 Ų6351.8 Ų51.829%0.29427%0.269SS..  trans-133.7110.2-172.1-60.9-163.9164.300114.2L428 S429 E430 K434 K436L428-E432 WeakPolarHBondContact CD1-O 3.37Å; S429-E432 PolarHBondContact O-N 3.45Å; E430-E432 VanDerWaalsContact C-N 3.26Å; E430-E432 PolarHBondContact O-N 2.95Å; E432-K434 PolarHBondContact O-N 3.44Å; E432-K436 IonicContact OE1-NZ 2.75Å; E432-K436 PolarHBondContact OE1-NZ 2.93Å; E432-K436 WeakPolarHBondContact OE2-CD 3.38Å; E432-K436 WeakPolarHBondContact OE2-CE 3.24Å; E432-K436 IonicContact OE2-NZ 3.28Å; E432-K436 PolarHBondContact OE2-NZ 2.94Å
433N74.8Confident88.6Confident169 Ų16951.5 Ų51.590%0.90427%0.268SS*.SBendtrans-63.71.2179.3-70.8-12.4000116.4
434K84.2Confident88.6Confident173 Ų17351.4 Ų51.475%0.75227%0.266SS*.SBendtrans-145123.3179.3-75-174178176.60111.3E432 K436E432-K434 PolarHBondContact O-N 3.44Å; K434-K436 PolarHBondContact O-N 2.84Å
435A86.9Confident88.7Confident39 Ų3951.6 Ų51.632%0.32227%0.266SS..PPolyproline II helixtrans-64128174.800000111.3K426 V427 L428 F501K426-A435 HydrophobicContact CB-CB 4.12Å; V427-A435 CarbonylContact O-C 3.47Å; V427-A435 VanDerWaalsContact O-CA 3.23Å; V427-A435 WeakPolarHBondContact O-CA 3.19Å; L428-A435 HydrophobicContact CB-CB 4.02Å; L428-A435 HydrophobicContact CD1-CB 4.05Å; A435-F501 HydrophobicContact CB-CD2 4.46Å
436K90.4Very high88.7Confident85 Ų8552 Ų5237%0.3727%0.268SS..EExtended strand (participates in β ladder)trans-102.5138.6-176.6-63.9176.3-177161.50110.6K426 V427 E432 K434 R438K426-K436 CarbonylContact C-O 3.59Å; K426-K436 WeakPolarHBondContact CA-O 3.3Å; V427-K436 PolarHBondContact N-O 3.25Å; V427-K436 PolarHBondContact O-N 3.3Å; E432-K436 IonicContact OE1-NZ 2.75Å; E432-K436 PolarHBondContact OE1-NZ 2.93Å; E432-K436 WeakPolarHBondContact OE2-CD 3.38Å; E432-K436 WeakPolarHBondContact OE2-CE 3.24Å; E432-K436 IonicContact OE2-NZ 3.28Å; E432-K436 PolarHBondContact OE2-NZ 2.94Å; K434-K436 PolarHBondContact O-N 2.84Å; K436-R438 PolarHBondContact O-N 2.86Å
437T91.9Very high88.7Confident54 Ų5448.9 Ų48.933%0.33126%0.255SS..EExtended strand (participates in β ladder)trans-62.1134.8171.5-510000110.4E424 V425E424-T437 HydrophobicContact CG-CG2 3.59Å; E424-T437 WeakPolarHBondContact OE2-CG2 3.45Å; V425-T437 WeakPolarHBondContact O-CA 3.32Å
438R94Very high88.8Confident34 Ų3448.6 Ų48.613%0.12825%0.253CS..EExtended strand (participates in β ladder)trans-142.9159.4177.3-69.1-66.2-179.4-95.66.2109.5E424 V425 V427 K436 V449 C450E424-R438 WeakPolarHBondContact CA-O 3.5Å; V425-R438 PolarHBondContact N-O 2.82Å; V425-R438 PolarHBondContact O-N 2.88Å; V425-R438 VanDerWaalsContact O-O 3.05Å; V427-R438 HydrophobicContact CB-CG 4.18Å; V427-R438 HydrophobicContact CG2-CB 3.82Å; V427-R438 HydrophobicContact CG2-CG 3.76Å; K436-R438 PolarHBondContact O-N 2.86Å; R438-V449 HydrophobicContact CB-CG1 3.84Å; R438-V449 HydrophobicContact CG-CG1 3.79Å; R438-C450 WeakPolarHBondContact CA-O 3.43Å; R438-C450 WeakPolarHBondContact CD-O 3.38Å
439Y95.3Very high89Confident12 Ų1246.1 Ų46.15%0.04724%0.24CC..EExtended strand (participates in β ladder)trans-103.1141.8164.2-150.7-93000108.7Q74 F75 D422 G423 E424 F441 C450 F457Q74-Y439 VanDerWaalsContact CB-OH 3.25Å; Q74-Y439 WeakPolarHBondContact CB-OH 3.36Å; Q74-Y439 HydrophobicContact CG-CE2 4.44Å; Q74-Y439 WeakPolarHBondContact CG-OH 3.27Å; F75-Y439 PolarHBondContact N-OH 3.3Å; D422-Y439 HydrophobicContact CB-CE1 3.91Å; D422-Y439 WeakPolarHBondContact OD2-CE1 3.48Å; D422-Y439 PolarHBondContact OD2-OH 2.98Å; G423-Y439 WeakPolarHBondContact O-CA 3.21Å; E424-Y439 HydrophobicContact CB-CD2 4.25Å; Y439-F441 HydrophobicContact CD1-CD2 4.1Å; Y439-F441 HydrophobicContact CD1-CE1 4.25Å; Y439-F441 AromaticContact CD1-CE2 3.58Å; Y439-F441 HydrophobicContact CD1-CE2 3.58Å; Y439-F441 AromaticContact CD1-CZ 3.67Å; Y439-F441 HydrophobicContact CD1-CZ 3.67Å; Y439-F441 HydrophobicContact CE1-CD1 4.39Å; Y439-F441 AromaticContact CE1-CE1 3.79Å; Y439-F441 HydrophobicContact CE1-CE1 3.79Å; Y439-F441 AromaticContact CE1-CE2 3.97Å; Y439-F441 HydrophobicContact CE1-CE2 3.97Å; Y439-F441 AromaticContact CE1-CZ 3.56Å; Y439-F441 HydrophobicContact CE1-CZ 3.56Å; Y439-C450 PolarHBondContact N-O 2.99Å; Y439-C450 PolarHBondContact O-N 3.49Å; Y439-F457 AromaticContact CD1-CD1 3.99Å; Y439-F457 HydrophobicContact CD1-CD1 3.99Å; Y439-F457 AromaticContact CD1-CE1 3.61Å; Y439-F457 HydrophobicContact CD1-CE1 3.61Å; Y439-F457 HydrophobicContact CD1-CZ 4.29Å; Y439-F457 HydrophobicContact CD2-CD1 4.44Å; Y439-F457 AromaticContact CD2-CE1 3.62Å; Y439-F457 HydrophobicContact CD2-CE1 3.62Å; Y439-F457 HydrophobicContact CD2-CZ 4.43Å; Y439-F457 AromaticContact CE1-CE1 3.94Å; Y439-F457 HydrophobicContact CE1-CE1 3.94Å; Y439-F457 HydrophobicContact CE1-CZ 4.19Å; Y439-F457 AromaticContact CE2-CE1 3.94Å; Y439-F457 HydrophobicContact CE2-CE1 3.94Å; Y439-F457 HydrophobicContact CE2-CZ 4.31Å; Y439-F457 AromaticContact CG-CD1 3.84Å; Y439-F457 HydrophobicContact CG-CD1 3.84Å; Y439-F457 AromaticContact CG-CE1 3.41Å; Y439-F457 HydrophobicContact CG-CE1 3.41Å; Y439-F457 VanDerWaalsContact CG-CE1 3.41Å; Y439-F457 HydrophobicContact CG-CZ 4.39Å
440L95.7Very high89.5Confident0 Ų044.6 Ų44.60%023%0.229CC..EExtended strand (participates in β ladder)trans-114.8143.2176.2-63.1-178.1000109.8D422 G423 V425 L447 I448 V449 F500 W511D422-L440 WeakPolarHBondContact CA-O 3.49Å; D422-L440 WeakPolarHBondContact CB-O 3.42Å; G423-L440 PolarHBondContact N-O 3.47Å; G423-L440 VanDerWaalsContact N-O 3.08Å; G423-L440 PolarHBondContact O-N 3.32Å; V425-L440 HydrophobicContact CB-CD1 4.44Å; V425-L440 HydrophobicContact CG1-CD1 3.89Å; V425-L440 HydrophobicContact CG1-CG 4.37Å; V425-L440 HydrophobicContact CG2-CD1 3.71Å; V425-L440 HydrophobicContact CG2-CD2 4.26Å; V425-L440 HydrophobicContact CG2-CG 3.68Å; L440-L447 HydrophobicContact CB-CD1 4.18Å; L440-L447 HydrophobicContact CD1-CD1 4.29Å; L440-L447 HydrophobicContact CD2-CD1 4.2Å; L440-L447 HydrophobicContact CD2-CG 4.45Å; L440-L447 HydrophobicContact CG-CD1 4.46Å; L440-I448 WeakPolarHBondContact CA-O 3.37Å; L440-V449 HydrophobicContact CD2-CB 4.16Å; L440-V449 HydrophobicContact CD2-CG1 3.92Å; L440-V449 HydrophobicContact CD2-CG2 3.64Å; L440-F500 HydrophobicContact CD1-CD1 3.87Å; L440-F500 HydrophobicContact CD1-CE1 4.16Å; L440-F500 HydrophobicContact CD2-CD1 4.35Å; L440-F500 HydrophobicContact CD2-CE1 3.99Å; L440-W511 HydrophobicContact CB-CH2 3.45Å; L440-W511 VanDerWaalsContact CB-CH2 3.45Å; L440-W511 HydrophobicContact CB-CZ2 3.98Å; L440-W511 HydrophobicContact CB-CZ3 4.1Å; L440-W511 HydrophobicContact CD1-CE3 4.4Å; L440-W511 HydrophobicContact CD1-CH2 3.95Å; L440-W511 HydrophobicContact CD1-CZ2 4.14Å; L440-W511 HydrophobicContact CD1-CZ3 4.07Å; L440-W511 HydrophobicContact CG-CH2 4.32Å
441F95.8Very high90.4Very high0 Ų043.6 Ų43.60%022%0.223CC..EExtended strand (participates in β ladder)trans-124118.6160.3-60.2-93.1000108.2F75 I398 L402 L419 D422 Y439 F443 I448 F457F75-F441 HydrophobicContact CB-CE1 4.04Å; F75-F441 HydrophobicContact CG-CE1 4.34Å; I398-F441 HydrophobicContact CD1-CD1 4.31Å; I398-F441 HydrophobicContact CD1-CE1 4.33Å; I398-F441 HydrophobicContact CG1-CE1 4.15Å; I398-F441 HydrophobicContact CG2-CD1 3.76Å; I398-F441 HydrophobicContact CG2-CE1 3.65Å; I398-F441 HydrophobicContact CG2-CG 4.33Å; I398-F441 HydrophobicContact CG2-CZ 4.11Å; L402-F441 HydrophobicContact CD2-CD2 4.17Å; L402-F441 HydrophobicContact CD2-CE2 3.67Å; L402-F441 HydrophobicContact CD2-CZ 4.29Å; L419-F441 HydrophobicContact CD1-CB 4.24Å; L419-F441 HydrophobicContact CD1-CD1 4.33Å; D422-F441 HydrophobicContact CB-CB 4.41Å; D422-F441 HydrophobicContact CB-CD1 3.37Å; D422-F441 HydrophobicContact CB-CE1 3.84Å; D422-F441 HydrophobicContact CB-CG 4.04Å; Y439-F441 HydrophobicContact CD1-CD2 4.1Å; Y439-F441 HydrophobicContact CD1-CE1 4.25Å; Y439-F441 AromaticContact CD1-CE2 3.58Å; Y439-F441 HydrophobicContact CD1-CE2 3.58Å; Y439-F441 AromaticContact CD1-CZ 3.67Å; Y439-F441 HydrophobicContact CD1-CZ 3.67Å; Y439-F441 HydrophobicContact CE1-CD1 4.39Å; Y439-F441 AromaticContact CE1-CE1 3.79Å; Y439-F441 HydrophobicContact CE1-CE1 3.79Å; Y439-F441 AromaticContact CE1-CE2 3.97Å; Y439-F441 HydrophobicContact CE1-CE2 3.97Å; Y439-F441 AromaticContact CE1-CZ 3.56Å; Y439-F441 HydrophobicContact CE1-CZ 3.56Å; F441-F443 HydrophobicContact CB-CD2 4.41Å; F441-F443 HydrophobicContact CB-CE2 3.75Å; F441-I448 HydrophobicContact CB-CB 4.39Å; F441-I448 PolarHBondContact N-O 3.02Å; F441-I448 PolarHBondContact O-N 2.85Å; F441-F457 HydrophobicContact CE2-CB 4.48Å; F441-F457 HydrophobicContact CE2-CD1 4.27Å; F441-F457 HydrophobicContact CE2-CD2 4.44Å; F441-F457 HydrophobicContact CE2-CG 4.14Å; F441-F457 HydrophobicContact CZ-CD1 4.44Å; F441-F457 HydrophobicContact CZ-CD2 4.14Å; F441-F457 HydrophobicContact CZ-CE2 4.22Å; F441-F457 HydrophobicContact CZ-CG 4.26Å; F441-F457 HydrophobicContact CZ-CZ 4.39Å
442L95.4Very high91.2Very high1 Ų140.9 Ų40.91%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-102.8115.9178.5171.670.3000110.1H420 M421 L447 V465 W511 A514 V515H420-L442 HydrophobicContact CB-CD2 4.18Å; H420-L442 HydrophobicContact CB-CG 4.36Å; H420-L442 PolarHBondContact N-O 2.94Å; M421-L442 PolarHBondContact O-N 3.31Å; L442-L447 HydrophobicContact CB-CD1 4.04Å; L442-L447 HydrophobicContact CD1-CD1 4.27Å; L442-V465 HydrophobicContact CD1-CG2 3.85Å; L442-W511 HydrophobicContact CB-CZ3 3.82Å; L442-W511 HydrophobicContact CD2-CE3 4.46Å; L442-W511 HydrophobicContact CD2-CZ3 4.36Å; L442-A514 HydrophobicContact CD2-CB 3.75Å; L442-V515 HydrophobicContact CD1-CG2 4.08Å; L442-V515 HydrophobicContact CD2-CB 4.37Å; L442-V515 HydrophobicContact CD2-CG2 3.43Å; L442-V515 VanDerWaalsContact CD2-CG2 3.43Å; L442-V515 HydrophobicContact CG-CG2 4.42Å
443F95.3Very high91.7Very high0 Ų043.9 Ų43.90%022%0.215CC..EExtended strand (participates in β ladder)trans-101.5171.3169.5-65.9-92.5000110.4I395 L413 G417 H418 L419 F441 K445 I446 I448I395-F443 HydrophobicContact CD1-CE1 4.13Å; I395-F443 HydrophobicContact CG1-CE1 4.02Å; I395-F443 HydrophobicContact CG2-CE1 3.94Å; I395-F443 HydrophobicContact CG2-CZ 4.4Å; L413-F443 HydrophobicContact CD1-CD2 4.12Å; L413-F443 HydrophobicContact CD1-CE1 4.37Å; L413-F443 HydrophobicContact CD1-CE2 3.69Å; L413-F443 HydrophobicContact CD1-CZ 3.84Å; L413-F443 HydrophobicContact CD2-CE1 4.38Å; L413-F443 HydrophobicContact CD2-CE2 4Å; L413-F443 HydrophobicContact CD2-CZ 3.57Å; L413-F443 HydrophobicContact CG-CE1 3.98Å; L413-F443 HydrophobicContact CG-CE2 3.96Å; L413-F443 HydrophobicContact CG-CZ 3.56Å; G417-F443 WeakPolarHBondContact O-CD1 3.42Å; H418-F443 CarbonylContact O-C 3.53Å; H418-F443 WeakPolarHBondContact O-CA 3.26Å; L419-F443 HydrophobicContact CB-CD1 4.25Å; L419-F443 HydrophobicContact CB-CE1 3.94Å; L419-F443 HydrophobicContact CB-CZ 4.45Å; L419-F443 HydrophobicContact CD1-CD2 4.44Å; L419-F443 HydrophobicContact CD1-CE1 4.08Å; L419-F443 HydrophobicContact CD1-CE2 3.99Å; L419-F443 HydrophobicContact CD1-CZ 3.78Å; F441-F443 HydrophobicContact CB-CD2 4.41Å; F441-F443 HydrophobicContact CB-CE2 3.75Å; F443-K445 VanDerWaalsContact C-N 3.33Å; F443-K445 PolarHBondContact O-N 3.49Å; F443-I446 HydrophobicContact CB-CG1 4.06Å; F443-I446 HydrophobicContact CD2-CG1 4.21Å; F443-I446 HydrophobicContact CG-CG1 4.45Å; F443-I446 PolarHBondContact N-O 3.13Å; F443-I448 HydrophobicContact CE2-CD1 4.4Å
444D94.2Very high92.1Very high0 Ų039.1 Ų39.10%021%0.205CC..SBendtrans-46.3-56.9171.5-73.1-52.2000111.3G417 H418 H420 N521 L522 M536G417-D444 WeakPolarHBondContact CA-OD2 3.42Å; H418-D444 IonicContact CE1-OD2 3.85Å; H418-D444 IonicContact CG-OD2 2.9Å; H418-D444 PolarHBondContact N-OD2 3.27Å; H418-D444 IonicContact ND1-OD2 2.72Å; H418-D444 PolarHBondContact ND1-OD2 2.97Å; H418-D444 PolarHBondContact O-N 3.14Å; H420-D444 IonicContact CD2-OD1 3.05Å; H420-D444 IonicContact CE1-OD1 3.78Å; H420-D444 IonicContact NE2-OD1 3.72Å; H420-D444 PolarHBondContact NE2-OD1 3.03Å; D444-N521 WeakPolarHBondContact OD1-CB 3.2Å; D444-N521 PolarHBondContact OD1-ND2 2.75Å; D444-L522 HydrophobicContact CB-CD1 3.75Å; D444-L522 WeakPolarHBondContact O-CD1 3.39Å; D444-M536 HydrophobicContact CB-CE 4.26Å; D444-M536 HydrophobicContact CB-SD 4.1Å; D444-M536 VanDerWaalsContact OD2-CE 3.25Å; D444-M536 WeakPolarHBondContact OD2-CE 3.35Å
445K92.7Very high91.8Very high55 Ų5535.4 Ų35.424%0.23919%0.194CC..SBendtrans-95.9-15.7-168.4-60.8172.2-172.4171.80114.9Y416 F443 H464 V465 L522 F557Y416-K445 VanDerWaalsContact O-CB 3.3Å; Y416-K445 WeakPolarHBondContact O-CB 3.45Å; Y416-K445 WeakPolarHBondContact O-CG 3.48Å; Y416-K445 PolarHBondContact O-N 3.49Å; F443-K445 VanDerWaalsContact C-N 3.33Å; F443-K445 PolarHBondContact O-N 3.49Å; K445-H464 WeakPolarHBondContact O-CA 3.25Å; K445-H464 PolarHBondContact O-ND1 3.09Å; K445-V465 PolarHBondContact O-N 3Å; K445-V465 VanDerWaalsContact O-N 3.16Å; K445-L522 HydrophobicContact CB-CD1 4.48Å; K445-L522 HydrophobicContact CG-CD1 3.74Å; K445-L522 HydrophobicContact CG-CG 4.38Å; K445-F557 VanDerWaalsContact NZ-CE1 3.26Å; K445-F557 VanDerWaalsContact NZ-CZ 3.32Å
446I92.7Very high91.9Very high8 Ų835 Ų354%0.04119%0.188CC..EExtended strand (participates in β ladder)trans-143148.7-17663.7177.7000114L413 Y416 F443 I448 Y463L413-I446 HydrophobicContact CD1-CD1 4.17Å; Y416-I446 HydrophobicContact CD1-CB 4.49Å; Y416-I446 HydrophobicContact CD1-CD1 3.84Å; Y416-I446 HydrophobicContact CD1-CG1 4.19Å; Y416-I446 HydrophobicContact CD1-CG2 3.56Å; Y416-I446 HydrophobicContact CD2-CD1 3.81Å; Y416-I446 HydrophobicContact CE1-CD1 4.32Å; Y416-I446 HydrophobicContact CE1-CG2 4.02Å; Y416-I446 HydrophobicContact CE2-CD1 4.33Å; Y416-I446 HydrophobicContact CG-CD1 3.53Å; Y416-I446 HydrophobicContact CG-CG1 4Å; Y416-I446 HydrophobicContact CG-CG2 4.25Å; F443-I446 HydrophobicContact CB-CG1 4.06Å; F443-I446 HydrophobicContact CD2-CG1 4.21Å; F443-I446 HydrophobicContact CG-CG1 4.45Å; F443-I446 PolarHBondContact N-O 3.13Å; I446-I448 HydrophobicContact CD1-CD1 3.78Å; I446-I448 HydrophobicContact CD1-CG1 3.69Å; I446-I448 HydrophobicContact CG1-CG1 4.2Å; I446-Y463 CarbonylContact C-O 3.51Å; I446-Y463 WeakPolarHBondContact CA-O 3.5Å; I446-Y463 WeakPolarHBondContact CB-O 3.47Å
447L93.6Very high92Very high0 Ų031.5 Ų31.50%017%0.173CC..EExtended strand (participates in β ladder)trans-104.7112.8161.8179.867.5000108.5L440 L442 V449 A462 Y463 L487 I489 F500L440-L447 HydrophobicContact CB-CD1 4.18Å; L440-L447 HydrophobicContact CD1-CD1 4.29Å; L440-L447 HydrophobicContact CD2-CD1 4.2Å; L440-L447 HydrophobicContact CD2-CG 4.45Å; L440-L447 HydrophobicContact CG-CD1 4.46Å; L442-L447 HydrophobicContact CB-CD1 4.04Å; L442-L447 HydrophobicContact CD1-CD1 4.27Å; L447-V449 HydrophobicContact CG-CG2 4.4Å; L447-A462 CarbonylContact O-C 3.32Å; L447-A462 WeakPolarHBondContact O-CA 3.22Å; L447-Y463 PolarHBondContact N-O 3.14Å; L447-Y463 PolarHBondContact O-N 3.21Å; L447-L487 HydrophobicContact CD2-CD1 3.92Å; L447-I489 HydrophobicContact CD2-CD1 4.36Å; L447-I489 HydrophobicContact CD2-CG2 4.29Å; L447-F500 HydrophobicContact CD2-CE1 4.08Å; L447-F500 HydrophobicContact CD2-CZ 3.75Å
448I93.3Very high92.1Very high2 Ų229.7 Ų29.71%0.0116%0.162CC..EExtended strand (participates in β ladder)trans-89.6137.5171-62.5-177.4000109.1L402 I405 L413 L440 F441 F443 I446 F459 A462L402-I448 HydrophobicContact CD1-CD1 4.1Å; I405-I448 HydrophobicContact CD1-CD1 4.12Å; L413-I448 HydrophobicContact CD1-CD1 3.44Å; L413-I448 VanDerWaalsContact CD1-CD1 3.44Å; L440-I448 WeakPolarHBondContact CA-O 3.37Å; F441-I448 HydrophobicContact CB-CB 4.39Å; F441-I448 PolarHBondContact N-O 3.02Å; F441-I448 PolarHBondContact O-N 2.85Å; F443-I448 HydrophobicContact CE2-CD1 4.4Å; I446-I448 HydrophobicContact CD1-CD1 3.78Å; I446-I448 HydrophobicContact CD1-CG1 3.69Å; I446-I448 HydrophobicContact CG1-CG1 4.2Å; I448-F459 HydrophobicContact CG2-CD2 3.99Å; I448-F459 HydrophobicContact CG2-CE2 4.15Å; I448-A462 HydrophobicContact CG1-CB 4.25Å
449V92.6Very high92.1Very high0 Ų030.7 Ų30.70%017%0.168CC..EExtended strand (participates in β ladder)trans-120.9128.2175.8-169.20000109.7R438 L440 L447 M460 F461 Y463R438-V449 HydrophobicContact CB-CG1 3.84Å; R438-V449 HydrophobicContact CG-CG1 3.79Å; L440-V449 HydrophobicContact CD2-CB 4.16Å; L440-V449 HydrophobicContact CD2-CG1 3.92Å; L440-V449 HydrophobicContact CD2-CG2 3.64Å; L447-V449 HydrophobicContact CG-CG2 4.4Å; V449-M460 WeakPolarHBondContact O-CB 3.34Å; V449-M460 PolarHBondContact O-N 2.68Å; V449-F461 HydrophobicContact CB-CD2 3.49Å; V449-F461 VanDerWaalsContact CB-CD2 3.49Å; V449-F461 HydrophobicContact CB-CE2 3.41Å; V449-F461 VanDerWaalsContact CB-CE2 3.41Å; V449-F461 HydrophobicContact CB-CG 4.37Å; V449-F461 HydrophobicContact CB-CZ 4.19Å; V449-F461 HydrophobicContact CG1-CD2 4.12Å; V449-F461 HydrophobicContact CG1-CE2 3.5Å; V449-F461 HydrophobicContact CG1-CZ 3.87Å; V449-F461 HydrophobicContact CG2-CD2 3.62Å; V449-F461 HydrophobicContact CG2-CE2 3.54Å; V449-F461 PolarHBondContact N-O 2.94Å; V449-F461 PolarHBondContact O-N 3.13Å; V449-Y463 HydrophobicContact CG2-CD2 4.42Å; V449-Y463 HydrophobicContact CG2-CE2 4.32Å
450C94.6Very high91.8Very high0 Ų033.7 Ų33.70%018%0.183CC..EExtended strand (participates in β ladder)trans-128.3160.8-174.3-69.50000112.4R438 Y439 F457 T458R438-C450 WeakPolarHBondContact CA-O 3.43Å; R438-C450 WeakPolarHBondContact CD-O 3.38Å; Y439-C450 PolarHBondContact N-O 2.99Å; Y439-C450 PolarHBondContact O-N 3.49Å; C450-F457 HydrophobicContact CB-CB 3.86Å; C450-F457 HydrophobicContact CB-CD1 4.38Å; C450-T458 CarbonylContact C-O 3.56Å; C450-T458 VanDerWaalsContact CA-O 3.27Å; C450-T458 WeakPolarHBondContact CA-O 3.43Å; C450-T458 WeakPolarHBondContact CB-O 3.33Å
451K93.7Very high91.4Very high115 Ų11536.5 Ų36.550%0.520%0.195SC..EExtended strand (participates in β ladder)trans-102.3117.9164.2-179.6-171.7174.2-168.90108.4T458 M460K451-T458 PolarHBondContact N-O 3.42Å; K451-T458 PolarHBondContact O-N 3.37Å; K451-M460 HydrophobicContact CB-CG 4.05Å; K451-M460 HydrophobicContact CB-SD 3.86Å
452P90.6Very high91.1Very high48 Ų4838.5 Ų38.531%0.31221%0.212SC..EExtended strand (participates in β ladder)trans-66.4142.3175.927.8-33.7000111F457P452-F457 HydrophobicContact CB-CD1 4.21Å; P452-F457 HydrophobicContact CB-CE1 4.12Å
453K88Confident90.9Very high127 Ų12739.7 Ų39.755%0.55222%0.217SC*.EExtended strand (participates in β ladder)trans-144.279-177.5-176.1-168.4175.2-172.30108.3L403 D455 S456L403-K453 HydrophobicContact CD1-CD 4.25Å; K453-D455 PolarHBondContact O-N 3.33Å; K453-S456 CarbonylContact C-O 3.59Å; K453-S456 WeakPolarHBondContact CA-O 3.49Å; K453-S456 PolarHBondContact N-O 2.99Å; K453-S456 PolarHBondContact O-N 2.82Å; K453-S456 PolarHBondContact O-OG 2.85Å
454G83.6Confident90.6Very high68 Ų6844.5 Ų44.570%0.70124%0.239SC*.THydrogen-bonded Turntrans61.1-119.7-166.500000109.5S456G454-S456 VanDerWaalsContact C-N 3.34Å
455D78.8Confident90.3Very high95 Ų9544.9 Ų44.951%0.50824%0.241SC..THydrogen-bonded Turntrans-92-0.2-175.7-51.3-31.3000113.4R82 K453R82-D455 IonicContact CZ-OD1 3.55Å; R82-D455 IonicContact CZ-OD2 3.8Å; R82-D455 IonicContact NH1-OD1 3.73Å; R82-D455 PolarHBondContact NH1-OD1 2.93Å; R82-D455 IonicContact NH1-OD2 2.73Å; R82-D455 PolarHBondContact NH1-OD2 3.19Å; R82-D455 IonicContact NH2-OD1 2.69Å; R82-D455 PolarHBondContact NH2-OD1 2.86Å; R82-D455 IonicContact NH2-OD2 2.92Å; K453-D455 PolarHBondContact O-N 3.33Å
456S88.3Confident90Very high30 Ų3044.6 Ų44.621%0.2124%0.244CC..EExtended strand (participates in β ladder)trans-114.9153.5-178.468.10000111L403 K453 G454L403-S456 WeakPolarHBondContact CD1-OG 3.37Å; K453-S456 CarbonylContact C-O 3.59Å; K453-S456 WeakPolarHBondContact CA-O 3.49Å; K453-S456 PolarHBondContact N-O 2.99Å; K453-S456 PolarHBondContact O-N 2.82Å; K453-S456 PolarHBondContact O-OG 2.85Å; G454-S456 VanDerWaalsContact C-N 3.34Å
457F92.9Very high89.4Confident12 Ų1250.9 Ų50.95%0.05328%0.278CS..EExtended strand (participates in β ladder)trans-123105.5-174.3-62.8-87.3000109.8F75 S401 L402 L403 Y439 F441 C450 P452 F459F75-F457 AromaticContact CD2-CE2 3.5Å; F75-F457 HydrophobicContact CD2-CE2 3.5Å; F75-F457 AromaticContact CD2-CZ 3.99Å; F75-F457 HydrophobicContact CD2-CZ 3.99Å; F75-F457 AromaticContact CE2-CE2 3.75Å; F75-F457 HydrophobicContact CE2-CE2 3.75Å; S401-F457 PolarHBondContact O-N 2.69Å; S401-F457 WeakPolarHBondContact OG-CD2 3.27Å; L402-F457 CarbonylContact C-O 3.52Å; L402-F457 WeakPolarHBondContact CA-O 3.49Å; L402-F457 HydrophobicContact CD2-CB 3.82Å; L403-F457 PolarHBondContact N-O 2.73Å; Y439-F457 AromaticContact CD1-CD1 3.99Å; Y439-F457 HydrophobicContact CD1-CD1 3.99Å; Y439-F457 AromaticContact CD1-CE1 3.61Å; Y439-F457 HydrophobicContact CD1-CE1 3.61Å; Y439-F457 HydrophobicContact CD1-CZ 4.29Å; Y439-F457 HydrophobicContact CD2-CD1 4.44Å; Y439-F457 AromaticContact CD2-CE1 3.62Å; Y439-F457 HydrophobicContact CD2-CE1 3.62Å; Y439-F457 HydrophobicContact CD2-CZ 4.43Å; Y439-F457 AromaticContact CE1-CE1 3.94Å; Y439-F457 HydrophobicContact CE1-CE1 3.94Å; Y439-F457 HydrophobicContact CE1-CZ 4.19Å; Y439-F457 AromaticContact CE2-CE1 3.94Å; Y439-F457 HydrophobicContact CE2-CE1 3.94Å; Y439-F457 HydrophobicContact CE2-CZ 4.31Å; Y439-F457 AromaticContact CG-CD1 3.84Å; Y439-F457 HydrophobicContact CG-CD1 3.84Å; Y439-F457 AromaticContact CG-CE1 3.41Å; Y439-F457 HydrophobicContact CG-CE1 3.41Å; Y439-F457 VanDerWaalsContact CG-CE1 3.41Å; Y439-F457 HydrophobicContact CG-CZ 4.39Å; F441-F457 HydrophobicContact CE2-CB 4.48Å; F441-F457 HydrophobicContact CE2-CD1 4.27Å; F441-F457 HydrophobicContact CE2-CD2 4.44Å; F441-F457 HydrophobicContact CE2-CG 4.14Å; F441-F457 HydrophobicContact CZ-CD1 4.44Å; F441-F457 HydrophobicContact CZ-CD2 4.14Å; F441-F457 HydrophobicContact CZ-CE2 4.22Å; F441-F457 HydrophobicContact CZ-CG 4.26Å; F441-F457 HydrophobicContact CZ-CZ 4.39Å; C450-F457 HydrophobicContact CB-CB 3.86Å; C450-F457 HydrophobicContact CB-CD1 4.38Å; P452-F457 HydrophobicContact CB-CD1 4.21Å; P452-F457 HydrophobicContact CB-CE1 4.12Å; F457-F459 PolarHBondContact O-N 2.89Å
458T93.8Very high88.6Confident17 Ų1752.4 Ų52.410%0.10429%0.294CS..EExtended strand (participates in β ladder)trans-66.6117.7171.4-66.40000108.6E404 C450 K451E404-T458 WeakPolarHBondContact OE1-CG2 3.46Å; C450-T458 CarbonylContact C-O 3.56Å; C450-T458 VanDerWaalsContact CA-O 3.27Å; C450-T458 WeakPolarHBondContact CA-O 3.43Å; C450-T458 WeakPolarHBondContact CB-O 3.33Å; K451-T458 PolarHBondContact N-O 3.42Å; K451-T458 PolarHBondContact O-N 3.37Å
459F93.1Very high87.6Confident54 Ų5461.1 Ų61.124%0.23733%0.334CS..EExtended strand (participates in β ladder)trans-55.4133.9171.3178-101.5000110.3L403 I405 I448 F457 A462L403-F459 VanDerWaalsContact O-CB 3.26Å; L403-F459 WeakPolarHBondContact O-CB 3.35Å; L403-F459 PolarHBondContact O-N 3.36Å; I405-F459 HydrophobicContact CB-CB 4.09Å; I405-F459 HydrophobicContact CB-CD2 4.21Å; I405-F459 HydrophobicContact CB-CG 4.14Å; I405-F459 HydrophobicContact CD1-CD2 4.21Å; I405-F459 HydrophobicContact CD1-CE2 4.44Å; I405-F459 HydrophobicContact CG1-CD2 3.95Å; I405-F459 HydrophobicContact CG1-CE2 4.24Å; I405-F459 HydrophobicContact CG1-CG 4.27Å; I448-F459 HydrophobicContact CG2-CD2 3.99Å; I448-F459 HydrophobicContact CG2-CE2 4.15Å; F457-F459 PolarHBondContact O-N 2.89Å; F459-A462 HydrophobicContact CE2-CB 3.99Å; F459-A462 HydrophobicContact CZ-CB 4.11Å
460M89.4Confident87Confident76 Ų7665 Ų6537%0.37435%0.351SS..EExtended strand (participates in β ladder)trans-113.9-48.9176.2-63-71.9-21.700111.4V449 K451V449-M460 WeakPolarHBondContact O-CB 3.34Å; V449-M460 PolarHBondContact O-N 2.68Å; K451-M460 HydrophobicContact CB-CG 4.05Å; K451-M460 HydrophobicContact CB-SD 3.86Å
461F87.9Confident86.2Confident58 Ų5871.2 Ų71.225%0.25438%0.38SS..EExtended strand (participates in β ladder)trans-167.7158.9-179.635-95.4000110.2V449 Y463 L498V449-F461 HydrophobicContact CB-CD2 3.49Å; V449-F461 VanDerWaalsContact CB-CD2 3.49Å; V449-F461 HydrophobicContact CB-CE2 3.41Å; V449-F461 VanDerWaalsContact CB-CE2 3.41Å; V449-F461 HydrophobicContact CB-CG 4.37Å; V449-F461 HydrophobicContact CB-CZ 4.19Å; V449-F461 HydrophobicContact CG1-CD2 4.12Å; V449-F461 HydrophobicContact CG1-CE2 3.5Å; V449-F461 HydrophobicContact CG1-CZ 3.87Å; V449-F461 HydrophobicContact CG2-CD2 3.62Å; V449-F461 HydrophobicContact CG2-CE2 3.54Å; V449-F461 PolarHBondContact N-O 2.94Å; V449-F461 PolarHBondContact O-N 3.13Å; F461-Y463 HydrophobicContact CD2-CD2 4.26Å; F461-Y463 AromaticContact CD2-CE2 3.34Å; F461-Y463 HydrophobicContact CD2-CE2 3.34Å; F461-Y463 AromaticContact CD2-CZ 3.73Å; F461-Y463 AromaticContact CE2-CE2 3.7Å; F461-Y463 HydrophobicContact CE2-CE2 3.7Å; F461-Y463 HydrophobicContact CG-CE2 4.39Å; F461-L498 HydrophobicContact CE2-CD1 4.24Å
462A89.4Confident85.7Confident43 Ų4371.6 Ų71.636%0.35538%0.378SS..EExtended strand (participates in β ladder)trans-127.1152.9169.300000109.9L447 I448 F459L447-A462 CarbonylContact O-C 3.32Å; L447-A462 WeakPolarHBondContact O-CA 3.22Å; I448-A462 HydrophobicContact CG1-CB 4.25Å; F459-A462 HydrophobicContact CE2-CB 3.99Å; F459-A462 HydrophobicContact CZ-CB 4.11Å
463Y89.8Confident85.1Confident26 Ų2671 Ų7110%0.10237%0.374CS..EExtended strand (participates in β ladder)trans-129.9147.2173.3-58.7-75.7000110.2I446 L447 V449 F461 I489 L490 P496 L498I446-Y463 CarbonylContact C-O 3.51Å; I446-Y463 WeakPolarHBondContact CA-O 3.5Å; I446-Y463 WeakPolarHBondContact CB-O 3.47Å; L447-Y463 PolarHBondContact N-O 3.14Å; L447-Y463 PolarHBondContact O-N 3.21Å; V449-Y463 HydrophobicContact CG2-CD2 4.42Å; V449-Y463 HydrophobicContact CG2-CE2 4.32Å; F461-Y463 HydrophobicContact CD2-CD2 4.26Å; F461-Y463 AromaticContact CD2-CE2 3.34Å; F461-Y463 HydrophobicContact CD2-CE2 3.34Å; F461-Y463 AromaticContact CD2-CZ 3.73Å; F461-Y463 AromaticContact CE2-CE2 3.7Å; F461-Y463 HydrophobicContact CE2-CE2 3.7Å; F461-Y463 HydrophobicContact CG-CE2 4.39Å; Y463-I489 HydrophobicContact CD2-CD1 3.79Å; Y463-I489 HydrophobicContact CE2-CD1 4.19Å; Y463-I489 HydrophobicContact CG-CB 4.35Å; Y463-I489 HydrophobicContact CG-CD1 4.01Å; Y463-I489 HydrophobicContact CG-CG1 4.5Å; Y463-L490 CarbonylContact C-O 3.59Å; Y463-L490 VanDerWaalsContact CA-O 3.31Å; Y463-L490 WeakPolarHBondContact CA-O 3.28Å; Y463-L490 WeakPolarHBondContact CB-O 3.41Å; Y463-P496 HydrophobicContact CD1-CB 4.13Å; Y463-P496 HydrophobicContact CD1-CG 4.16Å; Y463-P496 HydrophobicContact CE1-CB 3.54Å; Y463-P496 HydrophobicContact CE1-CG 4.03Å; Y463-L498 HydrophobicContact CD2-CD1 4.41Å; Y463-L498 HydrophobicContact CE2-CD1 3.46Å; Y463-L498 VanDerWaalsContact CE2-CD1 3.46Å
464H89.3Confident84.2Confident101 Ų10169.7 Ų69.747%0.46838%0.376SS..EExtended strand (participates in β ladder)trans-72.9136165.2-76.5-62.8000110.8K445 V466 I489 L490K445-H464 WeakPolarHBondContact O-CA 3.25Å; K445-H464 PolarHBondContact O-ND1 3.09Å; H464-V466 HydrophobicContact CB-CG1 4.48Å; H464-I489 CarbonylContact O-C 3.56Å; H464-I489 WeakPolarHBondContact O-CA 3.23Å; H464-L490 PolarHBondContact N-O 3.31Å; H464-L490 PolarHBondContact O-N 2.86Å
465V88.5Confident83.2Confident8 Ų869.7 Ų69.75%0.04836%0.36CS..EExtended strand (participates in β ladder)trans-76.9125.4169.7-1790000107.5L442 K445 L519 L522L442-V465 HydrophobicContact CD1-CG2 3.85Å; K445-V465 PolarHBondContact O-N 3Å; K445-V465 VanDerWaalsContact O-N 3.16Å; V465-L519 HydrophobicContact CG1-CD2 3.67Å; V465-L519 HydrophobicContact CG1-CG 4.03Å; V465-L522 HydrophobicContact CB-CD2 4.46Å; V465-L522 WeakPolarHBondContact O-CD2 3.3Å
466V86.3Confident81.9Confident48 Ų4870.6 Ų70.629%0.29137%0.371SS..  trans-126.1152.4-175.7-650000111.3H464 G468 P488 L490 L519H464-V466 HydrophobicContact CB-CG1 4.48Å; V466-G468 PolarHBondContact O-N 3.43Å; V466-P488 HydrophobicContact CG2-CB 4.4Å; V466-P488 WeakPolarHBondContact CG2-O 3.45Å; V466-P488 PolarHBondContact N-O 3.43Å; V466-P488 VanDerWaalsContact O-CB 3.28Å; V466-P488 WeakPolarHBondContact O-CB 3.47Å; V466-P488 WeakPolarHBondContact O-CG 3.39Å; V466-L490 HydrophobicContact CG1-CB 3.75Å; V466-L490 HydrophobicContact CG1-CD2 4.29Å; V466-L490 HydrophobicContact CG2-CB 4.24Å; V466-L519 WeakPolarHBondContact O-CD2 3.34Å
467N79.9Confident80.1Confident141 Ų14177.4 Ų77.475%0.75441%0.405SS*.SBendtrans-68.6125.6178.7-168.526.7000110.6
468G77.1Confident78.3Confident32 Ų3283.7 Ų83.733%0.3343%0.433SS..  trans177.3178.6-174.800000112.2V466V466-G468 PolarHBondContact O-N 3.43Å
469Q72.7Confident76.7Confident185 Ų18593.3 Ų93.386%0.86447%0.473SS*.  trans-83.7150.4-179.7-63.5-1732.200112.2
470F78.4Confident75.6Confident82 Ų8292.7 Ų92.736%0.3648%0.482SS..  trans-113.8128.3174.932-99.7000109.5M512 M516F470-M512 HydrophobicContact CB-CE 4.26Å; F470-M512 HydrophobicContact CD2-CE 3.52Å; F470-M512 HydrophobicContact CE2-CE 4.28Å; F470-M512 HydrophobicContact CG-CE 4.18Å; F470-M516 HydrophobicContact CD1-CG 4.47Å; F470-M516 HydrophobicContact CE1-CG 3.69Å; F470-M516 HydrophobicContact CE1-SD 4.07Å; F470-M516 HydrophobicContact CE2-SD 4.18Å; F470-M516 HydrophobicContact CZ-CG 3.84Å; F470-M516 HydrophobicContact CZ-SD 3.55Å; F470-M516 VanDerWaalsContact CZ-SD 3.55Å
471Q78.9Confident75Confident129 Ų12991.1 Ų91.160%0.60347%0.472SS*.  trans-105.8135.7-178.1-155.3177.736.100110.8F485 T486Q471-F485 CarbonylContact O-C 3.22Å; Q471-F485 WeakPolarHBondContact O-CA 3.08Å; Q471-T486 VanDerWaalsContact CB-OG1 3.26Å; Q471-T486 WeakPolarHBondContact CB-OG1 3.49Å; Q471-T486 PolarHBondContact N-OG1 3.08Å; Q471-T486 VanDerWaalsContact N-OG1 3.14Å; Q471-T486 PolarHBondContact O-N 2.96Å
472R84Confident74.6Confident123 Ų12389.6 Ų89.646%0.46447%0.469SS..EExtended strand (participates in β ladder)trans-82.4127168-72.3179.1168.6-140.5-10108.9E505 T509 M512R472-E505 IonicContact CZ-OE1 3.79Å; R472-E505 IonicContact NH1-OE1 2.73Å; R472-E505 PolarHBondContact NH1-OE1 3.05Å; R472-E505 IonicContact NH2-OE1 3.7Å; R472-T509 PolarHBondContact NH2-OG1 3.42Å; R472-M512 HydrophobicContact CG-CE 3.93Å; R472-M512 HydrophobicContact CG-SD 3.79Å
473V77.6Confident74.5Confident36 Ų3691.2 Ų91.222%0.21847%0.466CS..EExtended strand (participates in β ladder)trans-119.297.6-178.3-176.70000109.1G484 T486 T499V473-G484 CarbonylContact C-O 3.44Å; V473-G484 PolarHBondContact N-O 2.97Å; V473-G484 CarbonylContact O-C 3.6Å; V473-G484 VanDerWaalsContact O-C 3.27Å; V473-G484 WeakPolarHBondContact O-CA 3.18Å; V473-G484 PolarHBondContact O-N 3.11Å; V473-G484 VanDerWaalsContact O-O 3.12Å; V473-T486 HydrophobicContact CG2-CG2 4.11Å; V473-T499 HydrophobicContact CB-CG2 3.97Å; V473-T499 HydrophobicContact CG1-CG2 4.05Å; V473-T499 HydrophobicContact CG2-CG2 4.11Å
474T67.9Low74.5Confident99 Ų9990 Ų9061%0.60746%0.461SS*.EExtended strand (participates in β ladder)trans-93.8111.1-179.3-56.10000109.8R508T474-R508 PolarHBondContact OG1-NH1 3.27Å
475L63.3Low74.6Confident69 Ų6985.2 Ų85.236%0.36144%0.439SS..  trans-84.7131.6175.5-80.1-179.4000111.2N477 F501L475-N477 PolarHBondContact O-N 2.78Å; L475-F501 HydrophobicContact CD1-CD1 4.26Å; L475-F501 HydrophobicContact CD1-CE1 3.39Å; L475-F501 HydrophobicContact CD1-CZ 3.58Å; L475-F501 HydrophobicContact CG-CE1 3.74Å; L475-F501 HydrophobicContact CG-CZ 4.15Å
476P51.1Low74.6Confident113 Ų11386.4 Ų86.473%0.73445%0.446SS*.SBendtrans-62.7132.4171.5-22.233.5000112.4
477N51.6Low74.6Confident174 Ų17484.9 Ų84.993%0.9344%0.436SS*.SBendtrans57.354154.3-116.3-7.2000117.8L475L475-N477 PolarHBondContact O-N 2.78Å
478K55.1Low74.8Confident144 Ų14478.9 Ų78.963%0.62641%0.405SS*.  trans-129.3118.3160.9-74.8178.1180166.50110.8S482K478-S482 PolarHBondContact O-OG 3.02Å
479K59.2Low75.2Confident219 Ų21978.1 Ų78.195%0.95239%0.394SS*.SBendtrans-58.9146.4174.5-74.8-164.2172.8-163.70111.4Y481K479-Y481 PolarHBondContact O-N 3.5Å
480G69.9Low75.7Confident41 Ų4173.8 Ų73.842%0.42338%0.376SS..SBendtrans85.6-97-178.800000112.5S482 K503G480-S482 VanDerWaalsContact C-N 3.32Å; G480-S482 PolarHBondContact O-N 2.91Å; G480-K503 WeakPolarHBondContact O-CA 3.25Å
481Y76.2Confident75.7Confident43 Ų4370.9 Ų70.917%0.16937%0.369CS..SBendtrans-90.564.7-169.3-63.9-108000111.5E424 K426 K479 T502 K503E424-Y481 PolarHBondContact OE1-OH 3.29Å; K426-Y481 HydrophobicContact CB-CD1 4.06Å; K426-Y481 HydrophobicContact CB-CG 4.48Å; K426-Y481 HydrophobicContact CD-CD1 3.89Å; K426-Y481 HydrophobicContact CD-CD2 3.82Å; K426-Y481 HydrophobicContact CD-CE1 4.27Å; K426-Y481 HydrophobicContact CD-CE2 4.2Å; K426-Y481 HydrophobicContact CD-CG 3.64Å; K426-Y481 VanDerWaalsContact CE-CE2 3.49Å; K426-Y481 HydrophobicContact CG-CD1 3.71Å; K426-Y481 HydrophobicContact CG-CD2 4.47Å; K426-Y481 HydrophobicContact CG-CE1 3.88Å; K426-Y481 HydrophobicContact CG-CG 4.02Å; K479-Y481 PolarHBondContact O-N 3.5Å; Y481-T502 WeakPolarHBondContact CA-O 3.39Å; Y481-K503 HydrophobicContact CD1-CG 4.33Å; Y481-K503 HydrophobicContact CE1-CG 3.95Å; Y481-K503 HydrophobicContact CE2-CG 4.26Å; Y481-K503 WeakPolarHBondContact OH-CE 3.17Å
482S80.8Confident75Confident26 Ų2673.1 Ų73.118%0.18239%0.385CS..  trans-84.9-27.8-176.1-35.40000113.3K478 G480 G484K478-S482 PolarHBondContact O-OG 3.02Å; G480-S482 VanDerWaalsContact C-N 3.32Å; G480-S482 PolarHBondContact O-N 2.91Å; S482-G484 PolarHBondContact O-N 3.42Å
483Y87.1Confident73.8Confident77 Ų7777 Ų7730%0.30240%0.4SS..EExtended strand (participates in β ladder)trans-95.792.3-163.8-56.8-87.9000110.9F501 T502 S504 E505Y483-F501 WeakPolarHBondContact O-CA 3.37Å; Y483-T502 PolarHBondContact N-O 3.36Å; Y483-T502 PolarHBondContact O-N 3Å; Y483-T502 PolarHBondContact O-OG1 3.16Å; Y483-S504 VanDerWaalsContact CD2-C 3.44Å; Y483-S504 VanDerWaalsContact CD2-CA 3.42Å; Y483-E505 HydrophobicContact CD1-CB 3.77Å; Y483-E505 HydrophobicContact CE1-CB 3.73Å
484G89.2Confident72.6Confident0 Ų083 Ų830%043%0.431CS..EExtended strand (participates in β ladder)trans-89.6155.2-179.600000114.3V473 S482 F500 R508V473-G484 CarbonylContact C-O 3.44Å; V473-G484 PolarHBondContact N-O 2.97Å; V473-G484 CarbonylContact O-C 3.6Å; V473-G484 VanDerWaalsContact O-C 3.27Å; V473-G484 WeakPolarHBondContact O-CA 3.18Å; V473-G484 PolarHBondContact O-N 3.11Å; V473-G484 VanDerWaalsContact O-O 3.12Å; S482-G484 PolarHBondContact O-N 3.42Å; G484-F500 CarbonylContact C-O 3.52Å; G484-F500 WeakPolarHBondContact CA-O 3.49Å; G484-R508 WeakPolarHBondContact O-CD 3.35Å; G484-R508 PolarHBondContact O-NH1 2.93Å
485F91.4Very high71.9Confident0 Ų082.1 Ų82.10%043%0.429CS..EExtended strand (participates in β ladder)trans-155.6157.917160.7-80.8000111.4Q471 L487 F500 T502 R508 W511Q471-F485 CarbonylContact O-C 3.22Å; Q471-F485 WeakPolarHBondContact O-CA 3.08Å; F485-L487 HydrophobicContact CD2-CD2 3.68Å; F485-L487 HydrophobicContact CD2-CG 3.95Å; F485-L487 HydrophobicContact CE2-CD1 4.04Å; F485-L487 HydrophobicContact CE2-CD2 3.74Å; F485-L487 HydrophobicContact CE2-CG 3.83Å; F485-F500 HydrophobicContact CD1-CB 4.22Å; F485-F500 VanDerWaalsContact CD1-O 3.26Å; F485-F500 WeakPolarHBondContact CD1-O 3.32Å; F485-F500 HydrophobicContact CD2-CB 4.14Å; F485-F500 HydrophobicContact CD2-CD2 4.47Å; F485-F500 HydrophobicContact CE1-CB 3.79Å; F485-F500 HydrophobicContact CE2-CB 3.71Å; F485-F500 HydrophobicContact CE2-CD2 4.24Å; F485-F500 HydrophobicContact CE2-CG 4.17Å; F485-F500 HydrophobicContact CG-CB 4.39Å; F485-F500 HydrophobicContact CZ-CB 3.52Å; F485-F500 HydrophobicContact CZ-CG 4.33Å; F485-F500 PolarHBondContact N-O 3.28Å; F485-F500 PolarHBondContact O-N 2.79Å; F485-T502 HydrophobicContact CE1-CG2 3.79Å; F485-T502 HydrophobicContact CZ-CG2 4.5Å; F485-R508 HydrophobicContact CB-CG 4.32Å; F485-R508 HydrophobicContact CD1-CB 4.42Å; F485-R508 HydrophobicContact CD1-CG 3.87Å; F485-R508 HydrophobicContact CG-CG 4.38Å; F485-W511 HydrophobicContact CE1-CB 4.18Å; F485-W511 HydrophobicContact CE1-CG 4.45Å; F485-W511 HydrophobicContact CE2-CB 3.95Å; F485-W511 HydrophobicContact CZ-CB 3.53Å; F485-W511 HydrophobicContact CZ-CD2 4.46Å; F485-W511 AromaticContact CZ-CG 3.78Å; F485-W511 HydrophobicContact CZ-CG 3.78Å
486T89.2Confident71.9Confident33 Ų3379.9 Ų79.920%0.20242%0.418CS..EExtended strand (participates in β ladder)trans-110.3156.616861.40000110.4Q471 V473Q471-T486 VanDerWaalsContact CB-OG1 3.26Å; Q471-T486 WeakPolarHBondContact CB-OG1 3.49Å; Q471-T486 PolarHBondContact N-OG1 3.08Å; Q471-T486 VanDerWaalsContact N-OG1 3.14Å; Q471-T486 PolarHBondContact O-N 2.96Å; V473-T486 HydrophobicContact CG2-CG2 4.11Å
487L86.8Confident73Confident16 Ų1678.9 Ų78.98%0.08441%0.407CS..  trans-124.3147179.4-64.1-177.6000110.6L447 F485 I489 F500 V515L447-L487 HydrophobicContact CD2-CD1 3.92Å; F485-L487 HydrophobicContact CD2-CD2 3.68Å; F485-L487 HydrophobicContact CD2-CG 3.95Å; F485-L487 HydrophobicContact CE2-CD1 4.04Å; F485-L487 HydrophobicContact CE2-CD2 3.74Å; F485-L487 HydrophobicContact CE2-CG 3.83Å; L487-I489 HydrophobicContact CB-CG2 4.01Å; L487-I489 PolarHBondContact O-N 3.3Å; L487-I489 VanDerWaalsContact O-N 3.11Å; L487-F500 HydrophobicContact CB-CE2 4.11Å; L487-F500 HydrophobicContact CD1-CD2 4.16Å; L487-F500 HydrophobicContact CD1-CE2 3.98Å; L487-F500 HydrophobicContact CD1-CZ 4.43Å; L487-F500 HydrophobicContact CG-CD2 4Å; L487-F500 HydrophobicContact CG-CE2 3.98Å; L487-V515 HydrophobicContact CD1-CG2 3.97Å; L487-V515 HydrophobicContact CD2-CB 4.19Å; L487-V515 HydrophobicContact CD2-CG1 4.24Å; L487-V515 HydrophobicContact CD2-CG2 3.72Å; L487-V515 HydrophobicContact CG-CG2 4.45Å
488P83.1Confident74.7Confident15 Ų1571 Ų7110%0.09737%0.365CS..  trans-78.795.5173.533.7-35.2000109.7V466 L519V466-P488 HydrophobicContact CG2-CB 4.4Å; V466-P488 WeakPolarHBondContact CG2-O 3.45Å; V466-P488 PolarHBondContact N-O 3.43Å; V466-P488 VanDerWaalsContact O-CB 3.28Å; V466-P488 WeakPolarHBondContact O-CB 3.47Å; V466-P488 WeakPolarHBondContact O-CG 3.39Å; P488-L519 HydrophobicContact CG-CD1 4.07Å
489I85.1Confident76.3Confident17 Ų1765.3 Ų65.39%0.08734%0.342CS..EExtended strand (participates in β ladder)trans-132.8149.4-174.756.9174.2000112L447 Y463 H464 L487 P496 L498 F500L447-I489 HydrophobicContact CD2-CD1 4.36Å; L447-I489 HydrophobicContact CD2-CG2 4.29Å; Y463-I489 HydrophobicContact CD2-CD1 3.79Å; Y463-I489 HydrophobicContact CE2-CD1 4.19Å; Y463-I489 HydrophobicContact CG-CB 4.35Å; Y463-I489 HydrophobicContact CG-CD1 4.01Å; Y463-I489 HydrophobicContact CG-CG1 4.5Å; H464-I489 CarbonylContact O-C 3.56Å; H464-I489 WeakPolarHBondContact O-CA 3.23Å; L487-I489 HydrophobicContact CB-CG2 4.01Å; L487-I489 PolarHBondContact O-N 3.3Å; L487-I489 VanDerWaalsContact O-N 3.11Å; I489-P496 HydrophobicContact CG1-CG 4.29Å; I489-P496 WeakPolarHBondContact O-CG 3.32Å; I489-L498 HydrophobicContact CD1-CB 4.47Å; I489-L498 HydrophobicContact CD1-CD1 4.14Å; I489-F500 HydrophobicContact CD1-CE2 4.13Å; I489-F500 HydrophobicContact CD1-CZ 3.92Å
490L84.1Confident77.9Confident93 Ų9354.9 Ų54.949%0.48730%0.297SS..EExtended strand (participates in β ladder)trans-134.9147-178.1-172.168.9000111Y463 H464 V466Y463-L490 CarbonylContact C-O 3.59Å; Y463-L490 VanDerWaalsContact CA-O 3.31Å; Y463-L490 WeakPolarHBondContact CA-O 3.28Å; Y463-L490 WeakPolarHBondContact CB-O 3.41Å; H464-L490 PolarHBondContact N-O 3.31Å; H464-L490 PolarHBondContact O-N 2.86Å; V466-L490 HydrophobicContact CG1-CB 3.75Å; V466-L490 HydrophobicContact CG1-CD2 4.29Å; V466-L490 HydrophobicContact CG2-CB 4.24Å
491G77.5Confident79Confident22 Ų2253.3 Ų53.323%0.22728%0.278CS..  trans-171-178.617300000112.1R493G491-R493 PolarHBondContact O-N 2.84Å
492D65.1Low79.7Confident176 Ų17651.3 Ų51.394%0.94127%0.27SS*.SBendtrans-69.218.5-168.7-53.5-26.9000116
493R59.3Low79.9Confident204 Ų20453.3 Ų53.377%0.7728%0.276SS*.SBendtrans-130.4133.4172.3-68.8-170.7176.8-147.8-2109.3G491 S495G491-R493 PolarHBondContact O-N 2.84Å; R493-S495 PolarHBondContact O-N 3.41Å
494D51.7Low79.7Confident162 Ų16251.2 Ų51.287%0.86627%0.272SS*.SBendtrans-50.1126.9-179.1-60.2-68.8000111.9
495S53.2Low79.5Confident80 Ų8054.2 Ų54.256%0.55929%0.286SS*.  trans41.384.2176.154.50000115.7R493 N497R493-S495 PolarHBondContact O-N 3.41Å; S495-N497 PolarHBondContact O-N 2.75Å
496P63.4Low79.2Confident23 Ų2359.8 Ų59.815%0.14931%0.313CS..  trans-74.368.7169.833.7-36.1000111.3Y463 I489 L498Y463-P496 HydrophobicContact CD1-CB 4.13Å; Y463-P496 HydrophobicContact CD1-CG 4.16Å; Y463-P496 HydrophobicContact CE1-CB 3.54Å; Y463-P496 HydrophobicContact CE1-CG 4.03Å; I489-P496 HydrophobicContact CG1-CG 4.29Å; I489-P496 WeakPolarHBondContact O-CG 3.32Å; P496-L498 HydrophobicContact CB-CG 4.38Å; P496-L498 PolarHBondContact O-N 2.72Å
497N74Confident79.1Confident91 Ų9160.7 Ų60.749%0.48732%0.316SS..  trans-69.565.8169.5-82.6-4.3000110.3E430 S495E430-N497 HydrophobicContact CG-CB 3.78Å; E430-N497 WeakPolarHBondContact OE1-CB 3.26Å; E430-N497 PolarHBondContact OE1-ND2 2.81Å; S495-N497 PolarHBondContact O-N 2.75Å
498L86.9Confident79.3Confident9 Ų960.2 Ų60.25%0.04731%0.313CS..PPolyproline II helixtrans-86.5124.4179.2-64.5-172.5000110.4V427 L428 F461 Y463 I489 P496 F500V427-L498 HydrophobicContact CG1-CB 4.3Å; V427-L498 HydrophobicContact CG1-CD1 4.06Å; V427-L498 HydrophobicContact CG1-CD2 3.97Å; V427-L498 HydrophobicContact CG1-CG 4.35Å; L428-L498 WeakPolarHBondContact O-CA 3.25Å; F461-L498 HydrophobicContact CE2-CD1 4.24Å; Y463-L498 HydrophobicContact CD2-CD1 4.41Å; Y463-L498 HydrophobicContact CE2-CD1 3.46Å; Y463-L498 VanDerWaalsContact CE2-CD1 3.46Å; I489-L498 HydrophobicContact CD1-CB 4.47Å; I489-L498 HydrophobicContact CD1-CD1 4.14Å; P496-L498 HydrophobicContact CB-CG 4.38Å; P496-L498 PolarHBondContact O-N 2.72Å; L498-F500 HydrophobicContact CB-CD2 4.48Å; L498-F500 HydrophobicContact CB-CE1 4.47Å; L498-F500 HydrophobicContact CB-CE2 3.72Å; L498-F500 HydrophobicContact CB-CZ 3.71Å; L498-F500 HydrophobicContact CD1-CE1 4.38Å; L498-F500 HydrophobicContact CD1-CZ 3.87Å; L498-F500 HydrophobicContact CG-CZ 4.47Å
499T89.6Confident79.7Confident24 Ų2462.3 Ų62.315%0.14733%0.325CS..EExtended strand (participates in β ladder)trans-98.6121.2166.9-48.80000109.5L428 V473 F501L428-T499 PolarHBondContact N-O 2.87Å; L428-T499 PolarHBondContact O-N 2.84Å; V473-T499 HydrophobicContact CB-CG2 3.97Å; V473-T499 HydrophobicContact CG1-CG2 4.05Å; V473-T499 HydrophobicContact CG2-CG2 4.11Å; T499-F501 HydrophobicContact CG2-CD2 4.27Å; T499-F501 HydrophobicContact CG2-CE1 3.97Å; T499-F501 HydrophobicContact CG2-CE2 3.51Å; T499-F501 HydrophobicContact CG2-CZ 3.33Å
500F92.3Very high79.9Confident0 Ų063.3 Ų63.30%034%0.336CS..EExtended strand (participates in β ladder)trans-97.5130.6178.5-57.5-88.5000109.1V425 K426 V427 L440 L447 G484 F485 L487 I489 L498V425-F500 HydrophobicContact CG2-CD1 4.34Å; K426-F500 CarbonylContact O-C 3.6Å; V427-F500 HydrophobicContact CG1-CE1 4.32Å; V427-F500 HydrophobicContact CG2-CD1 3.83Å; V427-F500 HydrophobicContact CG2-CE1 3.98Å; L440-F500 HydrophobicContact CD1-CD1 3.87Å; L440-F500 HydrophobicContact CD1-CE1 4.16Å; L440-F500 HydrophobicContact CD2-CD1 4.35Å; L440-F500 HydrophobicContact CD2-CE1 3.99Å; L447-F500 HydrophobicContact CD2-CE1 4.08Å; L447-F500 HydrophobicContact CD2-CZ 3.75Å; G484-F500 CarbonylContact C-O 3.52Å; G484-F500 WeakPolarHBondContact CA-O 3.49Å; F485-F500 HydrophobicContact CD1-CB 4.22Å; F485-F500 VanDerWaalsContact CD1-O 3.26Å; F485-F500 WeakPolarHBondContact CD1-O 3.32Å; F485-F500 HydrophobicContact CD2-CB 4.14Å; F485-F500 HydrophobicContact CD2-CD2 4.47Å; F485-F500 HydrophobicContact CE1-CB 3.79Å; F485-F500 HydrophobicContact CE2-CB 3.71Å; F485-F500 HydrophobicContact CE2-CD2 4.24Å; F485-F500 HydrophobicContact CE2-CG 4.17Å; F485-F500 HydrophobicContact CG-CB 4.39Å; F485-F500 HydrophobicContact CZ-CB 3.52Å; F485-F500 HydrophobicContact CZ-CG 4.33Å; F485-F500 PolarHBondContact N-O 3.28Å; F485-F500 PolarHBondContact O-N 2.79Å; L487-F500 HydrophobicContact CB-CE2 4.11Å; L487-F500 HydrophobicContact CD1-CD2 4.16Å; L487-F500 HydrophobicContact CD1-CE2 3.98Å; L487-F500 HydrophobicContact CD1-CZ 4.43Å; L487-F500 HydrophobicContact CG-CD2 4Å; L487-F500 HydrophobicContact CG-CE2 3.98Å; I489-F500 HydrophobicContact CD1-CE2 4.13Å; I489-F500 HydrophobicContact CD1-CZ 3.92Å; L498-F500 HydrophobicContact CB-CD2 4.48Å; L498-F500 HydrophobicContact CB-CE1 4.47Å; L498-F500 HydrophobicContact CB-CE2 3.72Å; L498-F500 HydrophobicContact CB-CZ 3.71Å; L498-F500 HydrophobicContact CD1-CE1 4.38Å; L498-F500 HydrophobicContact CD1-CZ 3.87Å; L498-F500 HydrophobicContact CG-CZ 4.47Å
501F92Very high80.3Confident9 Ų959 Ų594%0.03931%0.313CS..EExtended strand (participates in β ladder)trans-118.1138.2-179.3-63.4-86.3000111.2V425 K426 L428 A435 L475 Y483 T499V425-F501 WeakPolarHBondContact CB-O 3.3Å; K426-F501 HydrophobicContact CB-CB 4.28Å; K426-F501 PolarHBondContact N-O 2.72Å; K426-F501 PolarHBondContact O-N 2.89Å; L428-F501 HydrophobicContact CB-CD2 4.48Å; L428-F501 HydrophobicContact CB-CE2 3.82Å; L428-F501 HydrophobicContact CD2-CE2 4.19Å; A435-F501 HydrophobicContact CB-CD2 4.46Å; L475-F501 HydrophobicContact CD1-CD1 4.26Å; L475-F501 HydrophobicContact CD1-CE1 3.39Å; L475-F501 HydrophobicContact CD1-CZ 3.58Å; L475-F501 HydrophobicContact CG-CE1 3.74Å; L475-F501 HydrophobicContact CG-CZ 4.15Å; Y483-F501 WeakPolarHBondContact O-CA 3.37Å; T499-F501 HydrophobicContact CG2-CD2 4.27Å; T499-F501 HydrophobicContact CG2-CE1 3.97Å; T499-F501 HydrophobicContact CG2-CE2 3.51Å; T499-F501 HydrophobicContact CG2-CZ 3.33Å
502T91Very high80.9Confident0 Ų058.6 Ų58.60%031%0.306CS..EExtended strand (participates in β ladder)trans-125.1162.1-176.244.90000112V425 Y481 Y483 F485 S504 L507 R508V425-T502 HydrophobicContact CG1-CG2 4.01Å; Y481-T502 WeakPolarHBondContact CA-O 3.39Å; Y483-T502 PolarHBondContact N-O 3.36Å; Y483-T502 PolarHBondContact O-N 3Å; Y483-T502 PolarHBondContact O-OG1 3.16Å; F485-T502 HydrophobicContact CE1-CG2 3.79Å; F485-T502 HydrophobicContact CZ-CG2 4.5Å; T502-S504 PolarHBondContact OG1-O 2.82Å; T502-L507 HydrophobicContact CG2-CB 4.48Å; T502-L507 HydrophobicContact CG2-CD2 3.94Å; T502-L507 HydrophobicContact CG2-CG 3.83Å; T502-R508 WeakPolarHBondContact OG1-CB 3.31Å; T502-R508 PolarHBondContact OG1-N 2.77Å
503K85.6Confident82.2Confident69 Ų6957.4 Ų57.430%0.329%0.292SS..SBendtrans-71.7-24.8-175.6-62.5174.3-173.9166.90113.7E424 G480 Y481E424-K503 WeakPolarHBondContact OE1-CE 3.43Å; E424-K503 IonicContact OE1-NZ 3.91Å; E424-K503 PolarHBondContact OE1-NZ 2.75Å; E424-K503 VanDerWaalsContact OE1-NZ 3.15Å; G480-K503 WeakPolarHBondContact O-CA 3.25Å; Y481-K503 HydrophobicContact CD1-CG 4.33Å; Y481-K503 HydrophobicContact CE1-CG 3.95Å; Y481-K503 HydrophobicContact CE2-CG 4.26Å; Y481-K503 WeakPolarHBondContact OH-CE 3.17Å
504S84.1Confident83.8Confident33 Ų3348.2 Ų48.223%0.23126%0.26CS..SBendtrans-148.7166.2-176.589.10000112.4Y483 T502 E506 L507 R508Y483-S504 VanDerWaalsContact CD2-C 3.44Å; Y483-S504 VanDerWaalsContact CD2-CA 3.42Å; T502-S504 PolarHBondContact OG1-O 2.82Å; S504-E506 WeakPolarHBondContact CB-OE2 3.42Å; S504-E506 PolarHBondContact OG-N 2.83Å; S504-E506 PolarHBondContact OG-OE2 3.3Å; S504-L507 PolarHBondContact OG-N 3.16Å; S504-R508 PolarHBondContact O-N 3.49Å; S504-R508 VanDerWaalsContact O-N 3.14Å
505E84.4Confident85.8Confident63 Ų6340.6 Ų40.629%0.29422%0.219SC..Hα-helixtrans-71.7-32.6177.9173.3124.7-142.300111.9R472 Y483 L507 R508 T509R472-E505 IonicContact CZ-OE1 3.79Å; R472-E505 IonicContact NH1-OE1 2.73Å; R472-E505 PolarHBondContact NH1-OE1 3.05Å; R472-E505 IonicContact NH2-OE1 3.7Å; Y483-E505 HydrophobicContact CD1-CB 3.77Å; Y483-E505 HydrophobicContact CE1-CB 3.73Å; E505-L507 VanDerWaalsContact C-N 3.33Å; E505-R508 WeakPolarHBondContact O-CB 3.47Å; E505-R508 PolarHBondContact O-N 2.99Å; E505-R508 IonicContact OE1-CZ 2.71Å; E505-R508 IonicContact OE1-NE 2.62Å; E505-R508 IonicContact OE1-NH2 2.69Å; E505-R508 PolarHBondContact OE1-NH2 2.97Å; E505-R508 IonicContact OE2-NH2 2.73Å; E505-R508 PolarHBondContact OE2-NH2 3.06Å; E505-T509 VanDerWaalsContact O-CB 3.31Å; E505-T509 WeakPolarHBondContact O-CB 3.43Å; E505-T509 PolarHBondContact O-N 3.06Å; E505-T509 PolarHBondContact O-OG1 2.83Å
506E84.9Confident87.5Confident117 Ų11740.9 Ų40.955%0.54721%0.213SC..Hα-helixtrans-63.4-44.7177.3-5264.7-126.600108.9S504 T509 A510S504-E506 WeakPolarHBondContact CB-OE2 3.42Å; S504-E506 PolarHBondContact OG-N 2.83Å; S504-E506 PolarHBondContact OG-OE2 3.3Å; E506-T509 PolarHBondContact O-N 2.95Å; E506-A510 WeakPolarHBondContact O-CB 3.4Å; E506-A510 PolarHBondContact O-N 3.2Å
507L87.8Confident88.9Confident51 Ų5141.6 Ų41.627%0.26722%0.221SC..Hα-helixtrans-65.8-42.3176.5-171.761.5000111.8M421 T502 S504 E505 T509 A510 W511M421-L507 HydrophobicContact CE-CD1 3.64Å; T502-L507 HydrophobicContact CG2-CB 4.48Å; T502-L507 HydrophobicContact CG2-CD2 3.94Å; T502-L507 HydrophobicContact CG2-CG 3.83Å; S504-L507 PolarHBondContact OG-N 3.16Å; E505-L507 VanDerWaalsContact C-N 3.33Å; L507-T509 VanDerWaalsContact C-N 3.29Å; L507-T509 PolarHBondContact O-N 3.32Å; L507-A510 PolarHBondContact O-N 3.41Å; L507-W511 VanDerWaalsContact O-CD1 3.24Å; L507-W511 PolarHBondContact O-N 3.43Å
508R90.4Very high89.8Confident7 Ų737.3 Ų37.33%0.02620%0.198CC..Hα-helixtrans-55.3-46.1170173.516971.8178.6-0.1111.3T474 G484 F485 T502 S504 E505 W511 M512T474-R508 PolarHBondContact OG1-NH1 3.27Å; G484-R508 WeakPolarHBondContact O-CD 3.35Å; G484-R508 PolarHBondContact O-NH1 2.93Å; F485-R508 HydrophobicContact CB-CG 4.32Å; F485-R508 HydrophobicContact CD1-CB 4.42Å; F485-R508 HydrophobicContact CD1-CG 3.87Å; F485-R508 HydrophobicContact CG-CG 4.38Å; T502-R508 WeakPolarHBondContact OG1-CB 3.31Å; T502-R508 PolarHBondContact OG1-N 2.77Å; S504-R508 PolarHBondContact O-N 3.49Å; S504-R508 VanDerWaalsContact O-N 3.14Å; E505-R508 WeakPolarHBondContact O-CB 3.47Å; E505-R508 PolarHBondContact O-N 2.99Å; E505-R508 IonicContact OE1-CZ 2.71Å; E505-R508 IonicContact OE1-NE 2.62Å; E505-R508 IonicContact OE1-NH2 2.69Å; E505-R508 PolarHBondContact OE1-NH2 2.97Å; E505-R508 IonicContact OE2-NH2 2.73Å; E505-R508 PolarHBondContact OE2-NH2 3.06Å; R508-W511 PolarHBondContact O-N 3.19Å; R508-M512 HydrophobicContact CG-SD 4.24Å; R508-M512 WeakPolarHBondContact O-CG 3.48Å; R508-M512 PolarHBondContact O-N 2.75Å
509T90.5Very high90Very high58 Ų5837.8 Ų37.836%0.35620%0.2SC..Hα-helixtrans-70.7-35.5-175.9-58.20000111.6R472 E505 E506 L507 M512 K513R472-T509 PolarHBondContact NH2-OG1 3.42Å; E505-T509 VanDerWaalsContact O-CB 3.31Å; E505-T509 WeakPolarHBondContact O-CB 3.43Å; E505-T509 PolarHBondContact O-N 3.06Å; E505-T509 PolarHBondContact O-OG1 2.83Å; E506-T509 PolarHBondContact O-N 2.95Å; L507-T509 VanDerWaalsContact C-N 3.29Å; L507-T509 PolarHBondContact O-N 3.32Å; T509-M512 PolarHBondContact O-N 3.26Å; T509-K513 VanDerWaalsContact O-CB 3.31Å; T509-K513 WeakPolarHBondContact O-CB 3.13Å; T509-K513 PolarHBondContact O-N 2.93Å
510A91.2Very high90.1Very high38 Ų3839 Ų3931%0.31421%0.21SC..Hα-helixtrans-61.8-48.8171.400000111.7M421 E506 L507 M512 K513 A514M421-A510 HydrophobicContact CE-CB 3.82Å; M421-A510 HydrophobicContact SD-CB 4.15Å; E506-A510 WeakPolarHBondContact O-CB 3.4Å; E506-A510 PolarHBondContact O-N 3.2Å; L507-A510 PolarHBondContact O-N 3.41Å; A510-M512 PolarHBondContact O-N 3.14Å; A510-K513 PolarHBondContact O-N 3.2Å; A510-K513 VanDerWaalsContact O-N 3.15Å; A510-A514 WeakPolarHBondContact O-CB 3.44Å; A510-A514 PolarHBondContact O-N 3.43Å
511W92.2Very high90.1Very high2 Ų240.4 Ų40.41%0.00822%0.217CC..Hα-helixtrans-58.9-44.8175.4-84107.1000112.7M421 V425 L440 L442 F485 L507 R508 K513 A514 V515M421-W511 HydrophobicContact CB-CE3 4.3Å; M421-W511 HydrophobicContact CB-CH2 4.21Å; M421-W511 HydrophobicContact CB-CZ3 4Å; M421-W511 HydrophobicContact CE-CD2 4.22Å; M421-W511 HydrophobicContact CE-CG 4.18Å; M421-W511 HydrophobicContact CE-CZ2 4.48Å; M421-W511 HydrophobicContact CG-CD2 4.25Å; M421-W511 HydrophobicContact CG-CE3 4.24Å; M421-W511 HydrophobicContact CG-CH2 4Å; M421-W511 HydrophobicContact CG-CZ2 4.02Å; M421-W511 HydrophobicContact CG-CZ3 4.12Å; M421-W511 HydrophobicContact SD-CB 4.39Å; M421-W511 HydrophobicContact SD-CD2 3.62Å; M421-W511 HydrophobicContact SD-CE3 3.98Å; M421-W511 HydrophobicContact SD-CG 3.82Å; M421-W511 HydrophobicContact SD-CZ2 4.35Å; M421-W511 HydrophobicContact SD-CZ3 4.46Å; V425-W511 HydrophobicContact CG1-CZ2 4.43Å; L440-W511 HydrophobicContact CB-CH2 3.45Å; L440-W511 VanDerWaalsContact CB-CH2 3.45Å; L440-W511 HydrophobicContact CB-CZ2 3.98Å; L440-W511 HydrophobicContact CB-CZ3 4.1Å; L440-W511 HydrophobicContact CD1-CE3 4.4Å; L440-W511 HydrophobicContact CD1-CH2 3.95Å; L440-W511 HydrophobicContact CD1-CZ2 4.14Å; L440-W511 HydrophobicContact CD1-CZ3 4.07Å; L440-W511 HydrophobicContact CG-CH2 4.32Å; L442-W511 HydrophobicContact CB-CZ3 3.82Å; L442-W511 HydrophobicContact CD2-CE3 4.46Å; L442-W511 HydrophobicContact CD2-CZ3 4.36Å; F485-W511 HydrophobicContact CE1-CB 4.18Å; F485-W511 HydrophobicContact CE1-CG 4.45Å; F485-W511 HydrophobicContact CE2-CB 3.95Å; F485-W511 HydrophobicContact CZ-CB 3.53Å; F485-W511 HydrophobicContact CZ-CD2 4.46Å; F485-W511 AromaticContact CZ-CG 3.78Å; F485-W511 HydrophobicContact CZ-CG 3.78Å; L507-W511 VanDerWaalsContact O-CD1 3.24Å; L507-W511 PolarHBondContact O-N 3.43Å; R508-W511 PolarHBondContact O-N 3.19Å; W511-K513 VanDerWaalsContact C-N 3.35Å; W511-K513 PolarHBondContact O-N 2.7Å; W511-A514 PolarHBondContact O-N 3.43Å; W511-V515 PolarHBondContact O-N 2.9Å; W511-V515 VanDerWaalsContact O-N 3.07Å
512M90.4Very high90Very high15 Ų1542.2 Ų42.27%0.07423%0.227CC..Hα-helixtrans-61.7-41.6175-68.1-178.878.900112F470 R472 R508 T509 A510 V515 M516F470-M512 HydrophobicContact CB-CE 4.26Å; F470-M512 HydrophobicContact CD2-CE 3.52Å; F470-M512 HydrophobicContact CE2-CE 4.28Å; F470-M512 HydrophobicContact CG-CE 4.18Å; R472-M512 HydrophobicContact CG-CE 3.93Å; R472-M512 HydrophobicContact CG-SD 3.79Å; R508-M512 HydrophobicContact CG-SD 4.24Å; R508-M512 WeakPolarHBondContact O-CG 3.48Å; R508-M512 PolarHBondContact O-N 2.75Å; T509-M512 PolarHBondContact O-N 3.26Å; A510-M512 PolarHBondContact O-N 3.14Å; M512-V515 PolarHBondContact O-N 3.38Å; M512-M516 WeakPolarHBondContact O-CG 3.38Å; M512-M516 PolarHBondContact O-N 3.12Å
513K92.2Very high89.7Confident150 Ų15044.7 Ų44.765%0.65224%0.244SC*.Hα-helixtrans-65.4-40.3177.6-174.3-176.3176.4-171.10112.2T509 A510 W511 M516 A517T509-K513 VanDerWaalsContact O-CB 3.31Å; T509-K513 WeakPolarHBondContact O-CB 3.13Å; T509-K513 PolarHBondContact O-N 2.93Å; A510-K513 PolarHBondContact O-N 3.2Å; A510-K513 VanDerWaalsContact O-N 3.15Å; W511-K513 VanDerWaalsContact C-N 3.35Å; W511-K513 PolarHBondContact O-N 2.7Å; K513-M516 PolarHBondContact O-N 3.1Å; K513-A517 PolarHBondContact O-N 3.16Å
514A93.1Very high89.8Confident11 Ų1141.5 Ų41.59%0.09123%0.23CC..Hα-helixtrans-62.9-43.7176.200000111.7H420 M421 L442 A510 W511 A517 A518H420-A514 HydrophobicContact CB-CB 4.05Å; M421-A514 HydrophobicContact CB-CB 3.81Å; M421-A514 HydrophobicContact SD-CB 4.17Å; L442-A514 HydrophobicContact CD2-CB 3.75Å; A510-A514 WeakPolarHBondContact O-CB 3.44Å; A510-A514 PolarHBondContact O-N 3.43Å; W511-A514 PolarHBondContact O-N 3.43Å; A514-A517 WeakPolarHBondContact O-CB 3.44Å; A514-A517 PolarHBondContact O-N 2.92Å; A514-A518 PolarHBondContact O-N 3.47Å
515V91.9Very high89.9Confident3 Ų344 Ų442%0.01825%0.245CC..Hα-helixtrans-67.6-37.3175.8175.40000112.1L442 L487 W511 M512 A517 A518 L519L442-V515 HydrophobicContact CD1-CG2 4.08Å; L442-V515 HydrophobicContact CD2-CB 4.37Å; L442-V515 HydrophobicContact CD2-CG2 3.43Å; L442-V515 VanDerWaalsContact CD2-CG2 3.43Å; L442-V515 HydrophobicContact CG-CG2 4.42Å; L487-V515 HydrophobicContact CD1-CG2 3.97Å; L487-V515 HydrophobicContact CD2-CB 4.19Å; L487-V515 HydrophobicContact CD2-CG1 4.24Å; L487-V515 HydrophobicContact CD2-CG2 3.72Å; L487-V515 HydrophobicContact CG-CG2 4.45Å; W511-V515 PolarHBondContact O-N 2.9Å; W511-V515 VanDerWaalsContact O-N 3.07Å; M512-V515 PolarHBondContact O-N 3.38Å; V515-A517 VanDerWaalsContact C-N 3.3Å; V515-A517 PolarHBondContact O-N 3.36Å; V515-A518 PolarHBondContact O-N 3.07Å; V515-L519 HydrophobicContact CG1-CD1 4.02Å; V515-L519 HydrophobicContact CG1-CG 4.33Å; V515-L519 WeakPolarHBondContact O-CB 3.18Å; V515-L519 WeakPolarHBondContact O-CG 3.41Å; V515-L519 PolarHBondContact O-N 2.78Å
516M90.6Very high89.9Confident85 Ų8541.8 Ų41.842%0.41924%0.24SC..Hα-helixtrans-63.2-34.6172.1-72.9-173.5-67.900112.6F470 M512 K513 S520F470-M516 HydrophobicContact CD1-CG 4.47Å; F470-M516 HydrophobicContact CE1-CG 3.69Å; F470-M516 HydrophobicContact CE1-SD 4.07Å; F470-M516 HydrophobicContact CE2-SD 4.18Å; F470-M516 HydrophobicContact CZ-CG 3.84Å; F470-M516 HydrophobicContact CZ-SD 3.55Å; F470-M516 VanDerWaalsContact CZ-SD 3.55Å; M512-M516 WeakPolarHBondContact O-CG 3.38Å; M512-M516 PolarHBondContact O-N 3.12Å; K513-M516 PolarHBondContact O-N 3.1Å; M516-S520 WeakPolarHBondContact O-CB 3.28Å; M516-S520 PolarHBondContact O-N 3.13Å
517A92.5Very high89.9Confident39 Ų3936.2 Ų36.232%0.32221%0.214SC..Hα-helixtrans-68.8-44.4174.300000112.1H420 K513 A514 V515 S520 N521H420-A517 WeakPolarHBondContact ND1-CB 3.32Å; K513-A517 PolarHBondContact O-N 3.16Å; A514-A517 WeakPolarHBondContact O-CB 3.44Å; A514-A517 PolarHBondContact O-N 2.92Å; V515-A517 VanDerWaalsContact C-N 3.3Å; V515-A517 PolarHBondContact O-N 3.36Å; A517-S520 WeakPolarHBondContact O-CB 3.33Å; A517-S520 PolarHBondContact O-N 3.44Å; A517-N521 PolarHBondContact O-N 2.67Å
518A93.2Very high89.8Confident0 Ų040.3 Ų40.30%023%0.229CC..Hα-helixtrans-59.4-46.8173.600000112.2H420 A514 V515 S520 N521 L522H420-A518 PolarHBondContact CE1-N 2.91Å; A514-A518 PolarHBondContact O-N 3.47Å; V515-A518 PolarHBondContact O-N 3.07Å; A518-S520 PolarHBondContact O-N 3.15Å; A518-N521 CarbonylContact O-C 3.48Å; A518-N521 WeakPolarHBondContact O-CA 3.34Å; A518-N521 WeakPolarHBondContact O-CB 3.32Å; A518-N521 PolarHBondContact O-N 2.73Å; A518-N521 VanDerWaalsContact O-N 3.08Å; A518-L522 PolarHBondContact O-N 3.36Å
519L89.9Confident89.3Confident19 Ų1944 Ų4410%0.09925%0.25CS..Hα-helixtrans-62.9-40.5175.7-73.4173.1000112.6V465 V466 P488 V515 N521 L522 C523V465-L519 HydrophobicContact CG1-CD2 3.67Å; V465-L519 HydrophobicContact CG1-CG 4.03Å; V466-L519 WeakPolarHBondContact O-CD2 3.34Å; P488-L519 HydrophobicContact CG-CD1 4.07Å; V515-L519 HydrophobicContact CG1-CD1 4.02Å; V515-L519 HydrophobicContact CG1-CG 4.33Å; V515-L519 WeakPolarHBondContact O-CB 3.18Å; V515-L519 WeakPolarHBondContact O-CG 3.41Å; V515-L519 PolarHBondContact O-N 2.78Å; L519-N521 PolarHBondContact O-N 3.37Å; L519-L522 PolarHBondContact O-N 2.96Å; L519-C523 PolarHBondContact O-N 3.21Å
520S91.3Very high88.5Confident49 Ų4946 Ų4634%0.34325%0.251SS..Hα-helixtrans-62.3-29173.7-178.80000112.4M516 A517 A518 P524 K571M516-S520 WeakPolarHBondContact O-CB 3.28Å; M516-S520 PolarHBondContact O-N 3.13Å; A517-S520 WeakPolarHBondContact O-CB 3.33Å; A517-S520 PolarHBondContact O-N 3.44Å; A518-S520 PolarHBondContact O-N 3.15Å; S520-P524 WeakPolarHBondContact O-CA 3.41Å; S520-P524 WeakPolarHBondContact O-CB 3.25Å; S520-K571 WeakPolarHBondContact O-CE 3.31Å; S520-K571 PolarHBondContact O-NZ 3.32Å; S520-K571 WeakPolarHBondContact OG-CE 3.45Å; S520-K571 PolarHBondContact OG-NZ 2.98Å
521N92.9Very high88Confident30 Ų3046.2 Ų46.216%0.1626%0.257CS..Hα-helixtrans-78.7-39.5171.8-75.7-5.3000112.2D444 A517 A518 L519 C523 M536 Y560 K571D444-N521 WeakPolarHBondContact OD1-CB 3.2Å; D444-N521 PolarHBondContact OD1-ND2 2.75Å; A517-N521 PolarHBondContact O-N 2.67Å; A518-N521 CarbonylContact O-C 3.48Å; A518-N521 WeakPolarHBondContact O-CA 3.34Å; A518-N521 WeakPolarHBondContact O-CB 3.32Å; A518-N521 PolarHBondContact O-N 2.73Å; A518-N521 VanDerWaalsContact O-N 3.08Å; L519-N521 PolarHBondContact O-N 3.37Å; N521-C523 PolarHBondContact O-N 3.18Å; N521-M536 HydrophobicContact CB-CE 4.09Å; N521-M536 HydrophobicContact CB-SD 3.86Å; N521-M536 WeakPolarHBondContact O-CG 3.41Å; N521-M536 VanDerWaalsContact O-SD 3.34Å; N521-Y560 WeakPolarHBondContact O-CE1 3.44Å; N521-Y560 PolarHBondContact O-OH 3.46Å; N521-K571 PolarHBondContact OD1-NZ 2.87Å
522L89.7Confident87.7Confident48 Ų4846.7 Ų46.725%0.25126%0.259SS..Hα-helixtrans-66.5-38178.5-102.560.5000113.7D444 K445 V465 A518 L519 M536D444-L522 HydrophobicContact CB-CD1 3.75Å; D444-L522 WeakPolarHBondContact O-CD1 3.39Å; K445-L522 HydrophobicContact CB-CD1 4.48Å; K445-L522 HydrophobicContact CG-CD1 3.74Å; K445-L522 HydrophobicContact CG-CG 4.38Å; V465-L522 HydrophobicContact CB-CD2 4.46Å; V465-L522 WeakPolarHBondContact O-CD2 3.3Å; A518-L522 PolarHBondContact O-N 3.36Å; L519-L522 PolarHBondContact O-N 2.96Å; L522-M536 HydrophobicContact CD1-SD 3.97Å
523C85.3Confident87.7Confident52 Ų5247.4 Ų47.435%0.35126%0.263SS..SBendtrans-142.673-175.8-168.60000110.1L519 N521L519-C523 PolarHBondContact O-N 3.21Å; N521-C523 PolarHBondContact O-N 3.18Å
524P88.6Confident87.8Confident2 Ų240.4 Ų40.41%0.01323%0.232CC..  trans-64.7156.6175.826.9-32.2000110.8S520 A527 Y560 K571 L574S520-P524 WeakPolarHBondContact O-CA 3.41Å; S520-P524 WeakPolarHBondContact O-CB 3.25Å; P524-A527 HydrophobicContact CG-CB 4Å; P524-A527 WeakPolarHBondContact O-CB 3.2Å; P524-A527 PolarHBondContact O-N 2.73Å; P524-A527 VanDerWaalsContact O-N 3.12Å; P524-Y560 HydrophobicContact CG-CD1 4.07Å; P524-Y560 HydrophobicContact CG-CE1 3.5Å; P524-Y560 HydrophobicContact CG-CE2 4.29Å; P524-K571 HydrophobicContact CB-CG 3.87Å; P524-K571 HydrophobicContact CG-CG 4.31Å; P524-L574 HydrophobicContact CG-CD1 4.2Å
525P85.1Confident87.8Confident84 Ų8443.8 Ų43.855%0.54525%0.246SC..THydrogen-bonded Turntrans-53.1142.4172.7-23.733.9000111.2A527 L574 A575P525-A527 VanDerWaalsContact C-N 3.26Å; P525-A527 PolarHBondContact O-N 2.73Å; P525-L574 CarbonylContact O-C 3.58Å; P525-A575 HydrophobicContact CB-CB 4.11Å; P525-A575 HydrophobicContact CG-CB 4.36Å; P525-A575 WeakPolarHBondContact O-CA 3.38Å; P525-A575 PolarHBondContact O-N 2.59Å
526G83.9Confident87.9Confident17 Ų1744.4 Ų44.418%0.17525%0.249CC..THydrogen-bonded Turntrans81.1-12.4-175.900000115.6K528 D529G526-K528 VanDerWaalsContact C-N 3.34Å; G526-K528 PolarHBondContact O-N 3.29Å; G526-D529 WeakPolarHBondContact CA-OD1 3.5Å; G526-D529 PolarHBondContact O-N 2.97Å
527A86Confident88.1Confident1 Ų143.8 Ų43.81%0.00825%0.245CC..THydrogen-bonded Turntrans-65.9-31-172.300000114.9P524 P525 N533 F534 L574P524-A527 HydrophobicContact CG-CB 4Å; P524-A527 WeakPolarHBondContact O-CB 3.2Å; P524-A527 PolarHBondContact O-N 2.73Å; P524-A527 VanDerWaalsContact O-N 3.12Å; P525-A527 VanDerWaalsContact C-N 3.26Å; P525-A527 PolarHBondContact O-N 2.73Å; A527-N533 CarbonylContact O-C 3.43Å; A527-N533 WeakPolarHBondContact O-CA 3.26Å; A527-F534 HydrophobicContact CB-CB 4.13Å; A527-F534 PolarHBondContact O-N 2.79Å; A527-L574 HydrophobicContact CB-CD1 4.43Å
528K84.6Confident88.2Confident136 Ų13644.1 Ų44.159%0.59124%0.242SC*.THydrogen-bonded Turntrans-114.39.6-177.1-65.2-170.1177.2-1720113.3G526 Y532 N533G526-K528 VanDerWaalsContact C-N 3.34Å; G526-K528 PolarHBondContact O-N 3.29Å; K528-Y532 CarbonylContact C-O 3.5Å; K528-Y532 VanDerWaalsContact C-O 3.31Å; K528-Y532 VanDerWaalsContact CA-O 3.25Å; K528-Y532 WeakPolarHBondContact CA-O 3.48Å; K528-N533 VanDerWaalsContact CE-OD1 3.28Å; K528-N533 WeakPolarHBondContact CE-OD1 3.45Å
529D80.1Confident88.2Confident86 Ų8645.1 Ų45.146%0.4625%0.247SC..G310 helixtrans-77.5155.9-174.6-66.833.4000110.4G526 G531 Y532G526-D529 WeakPolarHBondContact CA-OD1 3.5Å; G526-D529 PolarHBondContact O-N 2.97Å; D529-G531 PolarHBondContact O-N 3.34Å; D529-Y532 PolarHBondContact O-N 3.36Å; D529-Y532 VanDerWaalsContact O-N 3.12Å
530R74.5Confident88.1Confident99 Ų9954.3 Ų54.337%0.37429%0.286SS..G310 helixtrans57.520.7163.5-60.6176.7179-125.5-12.6115.9Y532 N578 L579 L581 R582R530-Y532 HydrophobicContact CB-CD2 4.15Å; R530-Y532 HydrophobicContact CB-CE2 4.2Å; R530-N578 VanDerWaalsContact CZ-OD1 3.29Å; R530-N578 VanDerWaalsContact NH2-CG 3.29Å; R530-N578 PolarHBondContact NH2-OD1 2.82Å; R530-L579 WeakPolarHBondContact CD-O 3.47Å; R530-L579 PolarHBondContact NH1-O 2.97Å; R530-L581 HydrophobicContact CB-CD2 3.94Å; R530-L581 HydrophobicContact CG-CD2 3.88Å; R530-R582 VanDerWaalsContact O-CB 3.29Å; R530-R582 WeakPolarHBondContact O-CB 3.35Å; R530-R582 PolarHBondContact O-N 3.46Å; R530-R582 VanDerWaalsContact O-N 3.07Å
531G79.7Confident88Confident43 Ų4359.3 Ų59.344%0.44330%0.304SS..G310 helixtrans87.810.6177.300000115.7D529 R582D529-G531 PolarHBondContact O-N 3.34Å; G531-R582 WeakPolarHBondContact O-CD 3.46Å; G531-R582 PolarHBondContact O-NH1 2.89Å; G531-R582 VanDerWaalsContact O-NH1 3.12Å
532Y86.7Confident87.9Confident12 Ų1260.9 Ų60.95%0.04732%0.316CS..  trans-97.1153.9167.6-54.6-92.5000109.8K528 D529 R530 F534 C562 T565 R567 L579 P580 R582K528-Y532 CarbonylContact C-O 3.5Å; K528-Y532 VanDerWaalsContact C-O 3.31Å; K528-Y532 VanDerWaalsContact CA-O 3.25Å; K528-Y532 WeakPolarHBondContact CA-O 3.48Å; D529-Y532 PolarHBondContact O-N 3.36Å; D529-Y532 VanDerWaalsContact O-N 3.12Å; R530-Y532 HydrophobicContact CB-CD2 4.15Å; R530-Y532 HydrophobicContact CB-CE2 4.2Å; Y532-F534 HydrophobicContact CD1-CE2 4.06Å; Y532-F534 AromaticContact CG-CE2 3.94Å; Y532-F534 HydrophobicContact CG-CE2 3.94Å; Y532-C562 HydrophobicContact CD1-CB 4.46Å; Y532-T565 HydrophobicContact CD1-CG2 4.02Å; Y532-T565 HydrophobicContact CE1-CG2 3.97Å; Y532-R567 PolarHBondContact OH-NH1 3.31Å; Y532-R567 VanDerWaalsContact OH-NH1 3.09Å; Y532-L579 HydrophobicContact CD2-CB 4.43Å; Y532-L579 HydrophobicContact CD2-CD1 4.2Å; Y532-L579 HydrophobicContact CE2-CB 3.87Å; Y532-L579 HydrophobicContact CE2-CD1 4.28Å; Y532-L579 HydrophobicContact CG-CD1 4.39Å; Y532-P580 VanDerWaalsContact CE2-O 3.24Å; Y532-P580 WeakPolarHBondContact CE2-O 3.47Å; Y532-P580 PolarHBondContact OH-O 3.03Å; Y532-R582 HydrophobicContact CE2-CB 4.11Å
533N90.4Very high88.1Confident30 Ų3060 Ų6016%0.1631%0.313CS..  trans-132.8100165.7162.859.9000108.7A527 K528 E535 C562 R563 E564A527-N533 CarbonylContact O-C 3.43Å; A527-N533 WeakPolarHBondContact O-CA 3.26Å; K528-N533 VanDerWaalsContact CE-OD1 3.28Å; K528-N533 WeakPolarHBondContact CE-OD1 3.45Å; N533-E535 PolarHBondContact ND2-OE1 2.82Å; N533-C562 WeakPolarHBondContact O-CA 3.37Å; N533-R563 PolarHBondContact O-N 2.93Å; N533-E564 WeakPolarHBondContact CB-OE1 3.39Å; N533-E564 PolarHBondContact N-OE2 2.87Å
534F93.1Very high88.4Confident2 Ų260.6 Ų60.61%0.00931%0.308CS..EExtended strand (participates in β ladder)trans-87.3116.9179.9-81.9-90.6000111A527 Y532 C562 R567 A569 L574 L579A527-F534 HydrophobicContact CB-CB 4.13Å; A527-F534 PolarHBondContact O-N 2.79Å; Y532-F534 HydrophobicContact CD1-CE2 4.06Å; Y532-F534 AromaticContact CG-CE2 3.94Å; Y532-F534 HydrophobicContact CG-CE2 3.94Å; F534-C562 HydrophobicContact CD1-CB 3.87Å; F534-C562 HydrophobicContact CD2-CB 3.98Å; F534-C562 HydrophobicContact CE1-CB 3.68Å; F534-C562 HydrophobicContact CE2-CB 3.78Å; F534-C562 HydrophobicContact CG-CB 4.03Å; F534-C562 HydrophobicContact CZ-CB 3.64Å; F534-R567 WeakPolarHBondContact CE1-O 3.27Å; F534-R567 HydrophobicContact CZ-CB 4.38Å; F534-A569 HydrophobicContact CD1-CB 4.42Å; F534-A569 HydrophobicContact CE1-CB 3.92Å; F534-L574 HydrophobicContact CB-CD1 3.72Å; F534-L574 HydrophobicContact CB-CD2 4.45Å; F534-L574 HydrophobicContact CD1-CD1 4.11Å; F534-L574 HydrophobicContact CD1-CD2 3.91Å; F534-L574 HydrophobicContact CD2-CD1 4.47Å; F534-L574 HydrophobicContact CD2-CD2 3.66Å; F534-L574 HydrophobicContact CE1-CD2 3.98Å; F534-L574 HydrophobicContact CE2-CD2 3.74Å; F534-L574 HydrophobicContact CG-CD1 3.87Å; F534-L574 HydrophobicContact CG-CD2 3.75Å; F534-L574 HydrophobicContact CG-CG 4.48Å; F534-L574 HydrophobicContact CZ-CD2 3.89Å; F534-L579 HydrophobicContact CE2-CD1 3.42Å; F534-L579 VanDerWaalsContact CE2-CD1 3.42Å; F534-L579 HydrophobicContact CZ-CD1 3.74Å
535E93.4Very high88.7Confident82 Ų8260.5 Ų60.538%0.38331%0.307SS..EExtended strand (participates in β ladder)trans-110.3144.7-179.5-62.8176-168.300109.9N533 F537 Y560 R561 R563N533-E535 PolarHBondContact ND2-OE1 2.82Å; E535-F537 PolarHBondContact O-N 2.8Å; E535-Y560 VanDerWaalsContact O-CA 3.31Å; E535-Y560 WeakPolarHBondContact O-CA 3.34Å; E535-R561 PolarHBondContact N-O 3.06Å; E535-R561 PolarHBondContact O-N 2.98Å; E535-R563 WeakPolarHBondContact OE1-CD 3.36Å; E535-R563 IonicContact OE1-NH1 3.46Å
536M95Very high89Confident16 Ų1658.7 Ų58.78%0.07930%0.296CS..EExtended strand (participates in β ladder)trans-56.9123.7176.8-67.9-178.27200110.8D444 N521 L522 F557 Y560D444-M536 HydrophobicContact CB-CE 4.26Å; D444-M536 HydrophobicContact CB-SD 4.1Å; D444-M536 VanDerWaalsContact OD2-CE 3.25Å; D444-M536 WeakPolarHBondContact OD2-CE 3.35Å; N521-M536 HydrophobicContact CB-CE 4.09Å; N521-M536 HydrophobicContact CB-SD 3.86Å; N521-M536 WeakPolarHBondContact O-CG 3.41Å; N521-M536 VanDerWaalsContact O-SD 3.34Å; L522-M536 HydrophobicContact CD1-SD 3.97Å; M536-F557 HydrophobicContact CB-CD1 3.84Å; M536-F557 HydrophobicContact CB-CE1 4.2Å; M536-F557 HydrophobicContact CE-CB 4.07Å; M536-F557 HydrophobicContact CE-CD1 4.33Å; M536-F557 HydrophobicContact CE-CG 4.16Å; M536-F557 WeakPolarHBondContact O-CE1 3.37Å; M536-Y560 HydrophobicContact CB-CE1 4.4Å; M536-Y560 HydrophobicContact CG-CD1 4.21Å; M536-Y560 HydrophobicContact CG-CE1 3.51Å
537F94.8Very high89.3Confident73 Ų7359.8 Ų59.832%0.3230%0.298SS..EExtended strand (participates in β ladder)trans-136.8141.6-171.1-164-94.6000112.7E535 F539 G559 R561E535-F537 PolarHBondContact O-N 2.8Å; F537-F539 HydrophobicContact CB-CE2 4.18Å; F537-F539 HydrophobicContact CB-CZ 4.15Å; F537-F539 AromaticContact CD1-CD1 3.72Å; F537-F539 HydrophobicContact CD1-CD1 3.72Å; F537-F539 HydrophobicContact CD1-CD2 4.15Å; F537-F539 AromaticContact CD1-CE1 3.64Å; F537-F539 HydrophobicContact CD1-CE1 3.64Å; F537-F539 HydrophobicContact CD1-CE2 4.08Å; F537-F539 AromaticContact CD1-CG 3.98Å; F537-F539 HydrophobicContact CD1-CG 3.98Å; F537-F539 AromaticContact CD1-CZ 3.83Å; F537-F539 HydrophobicContact CD1-CZ 3.83Å; F537-F539 HydrophobicContact CE1-CD1 4.05Å; F537-F539 HydrophobicContact CE1-CE1 4.24Å; F537-F539 HydrophobicContact CE1-CG 4.46Å; F537-F539 HydrophobicContact CG-CZ 4.39Å; F537-G559 PolarHBondContact N-O 3.33Å; F537-R561 HydrophobicContact CB-CB 3.63Å; F537-R561 HydrophobicContact CD1-CB 4.18Å; F537-R561 HydrophobicContact CD2-CB 4.17Å; F537-R561 HydrophobicContact CG-CB 3.72Å
538T94.3Very high89.5Confident45 Ų4562 Ų6228%0.27631%0.312SS..  trans-99.6114173.3-57.70000109.7M555 F557T538-M555 WeakPolarHBondContact CG2-O 3.01Å; T538-F557 PolarHBondContact OG1-N 2.87Å
539F93.1Very high89.7Confident21 Ų2161.4 Ų61.49%0.09232%0.316CS..  trans-86.4131.9-179.4-60.2-88.1000110.5F537 T543 I552 Q558 R561 A568F537-F539 HydrophobicContact CB-CE2 4.18Å; F537-F539 HydrophobicContact CB-CZ 4.15Å; F537-F539 AromaticContact CD1-CD1 3.72Å; F537-F539 HydrophobicContact CD1-CD1 3.72Å; F537-F539 HydrophobicContact CD1-CD2 4.15Å; F537-F539 AromaticContact CD1-CE1 3.64Å; F537-F539 HydrophobicContact CD1-CE1 3.64Å; F537-F539 HydrophobicContact CD1-CE2 4.08Å; F537-F539 AromaticContact CD1-CG 3.98Å; F537-F539 HydrophobicContact CD1-CG 3.98Å; F537-F539 AromaticContact CD1-CZ 3.83Å; F537-F539 HydrophobicContact CD1-CZ 3.83Å; F537-F539 HydrophobicContact CE1-CD1 4.05Å; F537-F539 HydrophobicContact CE1-CE1 4.24Å; F537-F539 HydrophobicContact CE1-CG 4.46Å; F537-F539 HydrophobicContact CG-CZ 4.39Å; F539-T543 HydrophobicContact CD1-CG2 3.71Å; F539-T543 WeakPolarHBondContact CD1-OG1 3.15Å; F539-T543 HydrophobicContact CE1-CG2 3.87Å; F539-T543 HydrophobicContact CG-CG2 4.2Å; F539-T543 HydrophobicContact CZ-CG2 4.47Å; F539-I552 HydrophobicContact CE2-CD1 4.48Å; F539-Q558 PolarHBondContact O-NE2 3.21Å; F539-R561 HydrophobicContact CE1-CB 4.26Å; F539-R561 HydrophobicContact CZ-CB 3.98Å; F539-A568 HydrophobicContact CE1-CB 3.64Å; F539-A568 HydrophobicContact CE2-CB 4.45Å; F539-A568 HydrophobicContact CZ-CB 3.54Å
540K88.9Confident90.2Very high212 Ų21260.8 Ų60.892%0.92231%0.309SS*.SBendtrans-89.1-7.6179.5-68.4-169.6175-171.30114.5
541Q88.6Confident91Very high155 Ų15556.4 Ų56.472%0.72429%0.293SS*.SBendtrans-136.3154.4-177.6-75179.5-31.600108.9T543Q541-T543 PolarHBondContact O-N 3.01Å; Q541-T543 VanDerWaalsContact O-N 3.09Å; Q541-T543 PolarHBondContact O-OG1 3.07Å
542P89.7Confident91.7Very high62 Ų6254.7 Ų54.740%0.40327%0.273SS..  trans-48118172.5-28.736.9000110.8L288 L551L288-P542 HydrophobicContact CB-CG 4.48Å; L288-P542 HydrophobicContact CD1-CB 3.6Å; L288-P542 HydrophobicContact CD1-CG 3.52Å; P542-L551 HydrophobicContact CB-CD1 4.17Å
543T93.7Very high91.9Very high31 Ų3155.8 Ų55.819%0.1928%0.282CS..  trans-128.3133.6-172.6-60.40000109.4F539 Q541 I552 A568F539-T543 HydrophobicContact CD1-CG2 3.71Å; F539-T543 WeakPolarHBondContact CD1-OG1 3.15Å; F539-T543 HydrophobicContact CE1-CG2 3.87Å; F539-T543 HydrophobicContact CG-CG2 4.2Å; F539-T543 HydrophobicContact CZ-CG2 4.47Å; Q541-T543 PolarHBondContact O-N 3.01Å; Q541-T543 VanDerWaalsContact O-N 3.09Å; Q541-T543 PolarHBondContact O-OG1 3.07Å; T543-I552 HydrophobicContact CG2-CD1 4.13Å; T543-I552 WeakPolarHBondContact O-CB 3.45Å; T543-I552 WeakPolarHBondContact O-CG1 3.35Å; T543-I552 PolarHBondContact O-N 3.5Å; T543-A568 HydrophobicContact CG2-CB 3.38Å
544Y93.5Very high91.8Very high63 Ų6354.8 Ų54.825%0.24728%0.278CS..BIsolated β-bridgetrans-104141.4-176.7-63.9-85.2000110.9R284 D285 N549 K550 L551R284-Y544 PolarHBondContact NE-OH 3Å; R284-Y544 VanDerWaalsContact NH2-CZ 3.33Å; R284-Y544 PolarHBondContact NH2-OH 3.1Å; D285-Y544 PolarHBondContact OD1-OH 2.96Å; D285-Y544 WeakPolarHBondContact OD2-CE2 3.3Å; D285-Y544 PolarHBondContact OD2-OH 3.19Å; Y544-N549 WeakPolarHBondContact CD1-O 3.38Å; Y544-K550 WeakPolarHBondContact CA-O 3.45Å; Y544-L551 HydrophobicContact CD1-CB 4.31Å; Y544-L551 HydrophobicContact CE1-CB 3.82Å; Y544-L551 HydrophobicContact CE1-CD1 3.99Å; Y544-L551 HydrophobicContact CE2-CD1 4.45Å
545C93.9Very high91.7Very high0 Ų058 Ų580%029%0.294CS..  trans-74.4127.3179.5169.60000111.4I547 N549 K550 I552 A568 A569 H570C545-I547 PolarHBondContact O-N 3.5Å; C545-I547 PolarHBondContact SG-N 2.71Å; C545-N549 WeakPolarHBondContact O-CA 3.28Å; C545-N549 PolarHBondContact O-N 3.27Å; C545-N549 PolarHBondContact O-OD1 3.44Å; C545-K550 PolarHBondContact N-O 3.03Å; C545-I552 HydrophobicContact CB-CD1 4.21Å; C545-I552 HydrophobicContact CB-CG1 4.03Å; C545-A568 WeakPolarHBondContact CA-O 2.96Å; C545-A569 VanDerWaalsContact SG-CA 3.58Å; C545-H570 WeakPolarHBondContact CB-CE1 3.34Å; C545-H570 WeakPolarHBondContact CB-ND1 3.11Å
546C91Very high91.6Very high47 Ų4754.7 Ų54.732%0.31828%0.278SS..THydrogen-bonded Turntrans-687.9-17967.50000116.1R567 A568C546-R567 HydrophobicContact CB-CB 4.3Å; C546-R567 HydrophobicContact CB-CG 4.42Å; C546-A568 PolarHBondContact N-O 3.3Å; C546-A568 PolarHBondContact SG-O 3.42Å
547I90.3Very high91.6Very high40 Ų4055.1 Ų55.121%0.20528%0.28CS..THydrogen-bonded Turntrans-118.2-48.1-177.1-65.6171.2000110.5C545 A569 C573 L574 H577 L579C545-I547 PolarHBondContact O-N 3.5Å; C545-I547 PolarHBondContact SG-N 2.71Å; I547-A569 HydrophobicContact CD1-CB 4.26Å; I547-C573 HydrophobicContact CB-CB 4.06Å; I547-C573 HydrophobicContact CD1-CB 3.9Å; I547-C573 HydrophobicContact CG2-CB 4.04Å; I547-L574 HydrophobicContact CD1-CD2 4.38Å; I547-H577 HydrophobicContact CD1-CB 4.5Å; I547-H577 HydrophobicContact CG2-CB 3.43Å; I547-H577 VanDerWaalsContact CG2-CB 3.43Å; I547-H577 VanDerWaalsContact CG2-CG 3.44Å; I547-L579 HydrophobicContact CD1-CD1 4.42Å; I547-L579 HydrophobicContact CD1-CD2 3.94Å; I547-L579 HydrophobicContact CD1-CG 4.02Å; I547-L579 HydrophobicContact CG1-CD2 3.7Å; I547-L579 HydrophobicContact CG1-CG 4.31Å
548C90.5Very high91.5Very high47 Ų4753.2 Ų53.232%0.31827%0.272SS..THydrogen-bonded Turntrans-109.1-5.3-178680000114K550 H570 C573C548-K550 PolarHBondContact O-N 3.21Å; C548-H570 VanDerWaalsContact SG-CE1 3.51Å; C548-H570 PolarHBondContact SG-ND1 3.11Å; C548-C573 VanDerWaalsContact SG-SG 3.68Å
549N89.6Confident91.5Very high123 Ų12351.2 Ų51.266%0.65826%0.26SS*.  trans57.29.9-177.1-60.3-19.2000116.1Y544 C545Y544-N549 WeakPolarHBondContact CD1-O 3.38Å; C545-N549 WeakPolarHBondContact O-CA 3.28Å; C545-N549 PolarHBondContact O-N 3.27Å; C545-N549 PolarHBondContact O-OD1 3.44Å
550K90.2Very high91.7Very high74 Ų7450.6 Ų50.632%0.32226%0.257SS..  trans-83157.5174.2-64.6-178.9153.1-84.30112.1E373 E377 Y544 C545 C548E373-K550 IonicContact OE1-NZ 3.87Å; E373-K550 PolarHBondContact OE1-NZ 3.19Å; E377-K550 WeakPolarHBondContact OE1-CD 3.17Å; E377-K550 VanDerWaalsContact OE1-CG 3.23Å; E377-K550 WeakPolarHBondContact OE1-CG 3.25Å; E377-K550 IonicContact OE1-NZ 3.4Å; E377-K550 PolarHBondContact OE1-NZ 2.83Å; Y544-K550 WeakPolarHBondContact CA-O 3.45Å; C545-K550 PolarHBondContact N-O 3.03Å; C548-K550 PolarHBondContact O-N 3.21Å
551L91.7Very high92Very high6 Ų644.7 Ų44.73%0.03123%0.229CC..BIsolated β-bridgetrans-60.4139.5175.6-176.664.5000111L288 E377 P542 Y544 T553 H570L288-L551 HydrophobicContact CD1-CD1 4.13Å; L288-L551 HydrophobicContact CD1-CD2 3.84Å; L288-L551 HydrophobicContact CD2-CD2 3.69Å; L288-L551 HydrophobicContact CG-CD2 4.45Å; E377-L551 WeakPolarHBondContact OE2-CB 3.38Å; E377-L551 PolarHBondContact OE2-N 3.17Å; P542-L551 HydrophobicContact CB-CD1 4.17Å; Y544-L551 HydrophobicContact CD1-CB 4.31Å; Y544-L551 HydrophobicContact CE1-CB 3.82Å; Y544-L551 HydrophobicContact CE1-CD1 3.99Å; Y544-L551 HydrophobicContact CE2-CD1 4.45Å; L551-T553 HydrophobicContact CD2-CG2 4.33Å; L551-T553 HydrophobicContact CG-CG2 4.36Å; L551-H570 PolarHBondContact O-NE2 3.41Å
552I93.3Very high92.3Very high7 Ų737.3 Ų37.34%0.03620%0.195CC..  trans-89.9101.3169.7-49.5178.3000107.1F539 T543 C545 Q558 A568 H570F539-I552 HydrophobicContact CE2-CD1 4.48Å; T543-I552 HydrophobicContact CG2-CD1 4.13Å; T543-I552 WeakPolarHBondContact O-CB 3.45Å; T543-I552 WeakPolarHBondContact O-CG1 3.35Å; T543-I552 PolarHBondContact O-N 3.5Å; C545-I552 HydrophobicContact CB-CD1 4.21Å; C545-I552 HydrophobicContact CB-CG1 4.03Å; I552-Q558 VanDerWaalsContact CG2-C 3.48Å; I552-Q558 HydrophobicContact CG2-CB 3.61Å; I552-Q558 WeakPolarHBondContact CG2-O 3.47Å; I552-A568 HydrophobicContact CD1-CB 3.64Å; I552-H570 WeakPolarHBondContact CA-NE2 3.45Å
553T91.8Very high92.4Very high36 Ų3642.3 Ų42.322%0.22121%0.205CC..  trans-79.4153.4-16653.30000114D384 L551 Q558D384-T553 VanDerWaalsContact OD2-CB 3.28Å; D384-T553 WeakPolarHBondContact OD2-CB 3.5Å; D384-T553 PolarHBondContact OD2-OG1 2.69Å; L551-T553 HydrophobicContact CD2-CG2 4.33Å; L551-T553 HydrophobicContact CG-CG2 4.36Å; T553-Q558 VanDerWaalsContact O-CB 3.25Å; T553-Q558 WeakPolarHBondContact O-CB 3.44Å; T553-Q558 VanDerWaalsContact O-CG 3.26Å; T553-Q558 WeakPolarHBondContact O-CG 3.47Å
554G88.7Confident92.2Very high9 Ų944.1 Ų44.19%0.09321%0.212CC..SBendtrans99-174.3-178.400000114.2D388 Q558D388-G554 VanDerWaalsContact OD2-CA 3.28Å; D388-G554 WeakPolarHBondContact OD2-CA 3.21Å; G554-Q558 WeakPolarHBondContact O-CG 3.39Å; G554-Q558 PolarHBondContact O-NE2 2.62Å
555M90Very high92Very high70 Ų7043.3 Ų43.335%0.34521%0.213SC..SBendtrans-128.2-0.8174.770.3176.2-64.600114.3V385 D388 L389 T538V385-M555 HydrophobicContact CG1-CB 4.5Å; V385-M555 HydrophobicContact CG1-CG 4.11Å; V385-M555 HydrophobicContact CG1-SD 3.78Å; V385-M555 HydrophobicContact CG2-CB 4.17Å; V385-M555 HydrophobicContact CG2-CG 4.46Å; D388-M555 HydrophobicContact CB-CG 3.85Å; D388-M555 PolarHBondContact OD2-N 2.86Å; L389-M555 HydrophobicContact CD1-SD 4.05Å; L389-M555 HydrophobicContact CD2-CE 4.18Å; L389-M555 HydrophobicContact CD2-SD 3.54Å; L389-M555 VanDerWaalsContact CD2-SD 3.54Å; L389-M555 HydrophobicContact CG-SD 3.54Å; L389-M555 VanDerWaalsContact CG-SD 3.54Å; T538-M555 WeakPolarHBondContact CG2-O 3.01Å
556F91.1Very high92Very high11 Ų1148 Ų485%0.04824%0.238CC..SBendtrans-130113.2-176-173.9-118.6000111.8D388 T391 I392 I395 S414 G417 H418 Q558D388-F556 HydrophobicContact CB-CB 3.74Å; D388-F556 PolarHBondContact OD2-N 3.34Å; T391-F556 HydrophobicContact CG2-CE1 4.4Å; I392-F556 HydrophobicContact CD1-CB 4.08Å; I392-F556 HydrophobicContact CD1-CD2 3.96Å; I392-F556 HydrophobicContact CD1-CG 4.15Å; I392-F556 HydrophobicContact CG1-CB 4.5Å; I392-F556 HydrophobicContact CG1-CD2 3.93Å; I392-F556 HydrophobicContact CG1-CE2 4.28Å; I392-F556 HydrophobicContact CG1-CG 4.11Å; I395-F556 HydrophobicContact CD1-CE1 4.3Å; I395-F556 HydrophobicContact CD1-CZ 4.19Å; S414-F556 WeakPolarHBondContact O-CE2 3.49Å; S414-F556 WeakPolarHBondContact O-CZ 3.4Å; G417-F556 WeakPolarHBondContact O-CZ 3.34Å; H418-F556 AromaticContact CD2-CD1 3.75Å; H418-F556 AromaticContact CD2-CE1 3.7Å; H418-F556 AromaticContact CG-CE1 4Å; H418-F556 AromaticContact NE2-CD1 3.59Å; H418-F556 AromaticContact NE2-CE1 3.89Å; F556-Q558 PolarHBondContact O-N 3.28Å
557F94.3Very high92Very high26 Ų2650.7 Ų50.711%0.11424%0.242CC..SBendtrans44.641.5-179.6-76.4-65.4000114.4S414 S415 K445 M536 T538 G559S414-F557 WeakPolarHBondContact O-CE2 3.28Å; S415-F557 WeakPolarHBondContact O-CZ 3.47Å; K445-F557 VanDerWaalsContact NZ-CE1 3.26Å; K445-F557 VanDerWaalsContact NZ-CZ 3.32Å; M536-F557 HydrophobicContact CB-CD1 3.84Å; M536-F557 HydrophobicContact CB-CE1 4.2Å; M536-F557 HydrophobicContact CE-CB 4.07Å; M536-F557 HydrophobicContact CE-CD1 4.33Å; M536-F557 HydrophobicContact CE-CG 4.16Å; M536-F557 WeakPolarHBondContact O-CE1 3.37Å; T538-F557 PolarHBondContact OG1-N 2.87Å; F557-G559 PolarHBondContact O-N 3.08Å
558Q93.4Very high92.2Very high33 Ų3349.2 Ų49.215%0.15424%0.235CC..  trans-56.7-25.1-169.7-52.6102.6-45.400113.7F539 I552 T553 G554 F556F539-Q558 PolarHBondContact O-NE2 3.21Å; I552-Q558 VanDerWaalsContact CG2-C 3.48Å; I552-Q558 HydrophobicContact CG2-CB 3.61Å; I552-Q558 WeakPolarHBondContact CG2-O 3.47Å; T553-Q558 VanDerWaalsContact O-CB 3.25Å; T553-Q558 WeakPolarHBondContact O-CB 3.44Å; T553-Q558 VanDerWaalsContact O-CG 3.26Å; T553-Q558 WeakPolarHBondContact O-CG 3.47Å; G554-Q558 WeakPolarHBondContact O-CG 3.39Å; G554-Q558 PolarHBondContact O-NE2 2.62Å; F556-Q558 PolarHBondContact O-N 3.28Å
559G94.8Very high92.4Very high2 Ų247 Ų472%0.02122%0.22CC..EExtended strand (participates in β ladder)trans-172.6-145.3177.700000112.1F537 F557F537-G559 PolarHBondContact N-O 3.33Å; F557-G559 PolarHBondContact O-N 3.08Å
560Y96Very high92.7Very high8 Ų843 Ų433%0.03120%0.198CC..EExtended strand (participates in β ladder)trans-127.5142.7-168.3-61.3-101.5000110.5N521 P524 E535 M536 A568 A569 K571 L574N521-Y560 WeakPolarHBondContact O-CE1 3.44Å; N521-Y560 PolarHBondContact O-OH 3.46Å; P524-Y560 HydrophobicContact CG-CD1 4.07Å; P524-Y560 HydrophobicContact CG-CE1 3.5Å; P524-Y560 HydrophobicContact CG-CE2 4.29Å; E535-Y560 VanDerWaalsContact O-CA 3.31Å; E535-Y560 WeakPolarHBondContact O-CA 3.34Å; M536-Y560 HydrophobicContact CB-CE1 4.4Å; M536-Y560 HydrophobicContact CG-CD1 4.21Å; M536-Y560 HydrophobicContact CG-CE1 3.51Å; Y560-A568 CarbonylContact O-C 3.58Å; Y560-A568 VanDerWaalsContact O-CA 3.26Å; Y560-A568 WeakPolarHBondContact O-CA 3.19Å; Y560-A569 PolarHBondContact N-O 3.35Å; Y560-A569 PolarHBondContact O-N 3.31Å; Y560-K571 HydrophobicContact CD2-CB 4.47Å; Y560-K571 HydrophobicContact CE2-CB 3.66Å; Y560-K571 HydrophobicContact CE2-CG 3.91Å; Y560-L574 HydrophobicContact CD1-CD1 4.28Å; Y560-L574 HydrophobicContact CD2-CD1 4.09Å; Y560-L574 HydrophobicContact CG-CD1 3.79Å
561R96Very high92.8Very high88 Ų8842 Ų4233%0.33219%0.194SC..EExtended strand (participates in β ladder)trans-116.4127.9173.3-179.9176.7168-176.5-2.1109.1E535 F537 F539 R563 N566 R567E535-R561 PolarHBondContact N-O 3.06Å; E535-R561 PolarHBondContact O-N 2.98Å; F537-R561 HydrophobicContact CB-CB 3.63Å; F537-R561 HydrophobicContact CD1-CB 4.18Å; F537-R561 HydrophobicContact CD2-CB 4.17Å; F537-R561 HydrophobicContact CG-CB 3.72Å; F539-R561 HydrophobicContact CE1-CB 4.26Å; F539-R561 HydrophobicContact CZ-CB 3.98Å; R561-R563 PolarHBondContact O-N 3.39Å; R561-N566 VanDerWaalsContact CZ-OD1 3.3Å; R561-N566 PolarHBondContact NE-OD1 2.86Å; R561-N566 PolarHBondContact NH2-OD1 3.49Å; R561-R567 WeakPolarHBondContact CA-O 3.47Å
562C94.1Very high92.8Very high0 Ų047 Ų470%022%0.22CC..EExtended strand (participates in β ladder)trans-71.5122.5170.3168.40000109.9Y532 N533 F534 E564 T565 N566 R567Y532-C562 HydrophobicContact CD1-CB 4.46Å; N533-C562 WeakPolarHBondContact O-CA 3.37Å; F534-C562 HydrophobicContact CD1-CB 3.87Å; F534-C562 HydrophobicContact CD2-CB 3.98Å; F534-C562 HydrophobicContact CE1-CB 3.68Å; F534-C562 HydrophobicContact CE2-CB 3.78Å; F534-C562 HydrophobicContact CG-CB 4.03Å; F534-C562 HydrophobicContact CZ-CB 3.64Å; C562-E564 VanDerWaalsContact C-N 3.27Å; C562-E564 PolarHBondContact O-N 3.2Å; C562-E564 PolarHBondContact SG-N 3.42Å; C562-E564 PolarHBondContact SG-OE2 2.83Å; C562-T565 WeakPolarHBondContact CB-OG1 3.18Å; C562-T565 PolarHBondContact O-N 3.34Å; C562-T565 PolarHBondContact SG-N 2.91Å; C562-T565 VanDerWaalsContact SG-N 3.42Å; C562-T565 PolarHBondContact SG-OG1 2.83Å; C562-N566 VanDerWaalsContact O-CA 3.25Å; C562-N566 WeakPolarHBondContact O-CA 3.22Å; C562-N566 PolarHBondContact O-N 3.18Å; C562-R567 PolarHBondContact N-O 3.06Å
563R92.7Very high92.7Very high167 Ų16747.4 Ų47.463%0.6322%0.223SC*.THydrogen-bonded Turntrans-63.1-31.1-178.9175.4174.5177.4169.2-2.6113.2N533 E535 R561N533-R563 PolarHBondContact O-N 2.93Å; E535-R563 WeakPolarHBondContact OE1-CD 3.36Å; E535-R563 IonicContact OE1-NH1 3.46Å; R561-R563 PolarHBondContact O-N 3.39Å
564E89.6Confident92.6Very high69 Ų6946 Ų4632%0.32221%0.214SC..THydrogen-bonded Turntrans-92.7-15.7-174.4-56.667.6-143.700114N533 C562N533-E564 WeakPolarHBondContact CB-OE1 3.39Å; N533-E564 PolarHBondContact N-OE2 2.87Å; C562-E564 VanDerWaalsContact C-N 3.27Å; C562-E564 PolarHBondContact O-N 3.2Å; C562-E564 PolarHBondContact SG-N 3.42Å; C562-E564 PolarHBondContact SG-OE2 2.83Å
565T89.9Confident92.4Very high46 Ų4647.6 Ų47.628%0.28223%0.227SC..THydrogen-bonded Turntrans-134.1-4.6-174.168.50000114.4Y532 C562 R567Y532-T565 HydrophobicContact CD1-CG2 4.02Å; Y532-T565 HydrophobicContact CE1-CG2 3.97Å; C562-T565 WeakPolarHBondContact CB-OG1 3.18Å; C562-T565 PolarHBondContact O-N 3.34Å; C562-T565 PolarHBondContact SG-N 2.91Å; C562-T565 VanDerWaalsContact SG-N 3.42Å; C562-T565 PolarHBondContact SG-OG1 2.83Å; T565-R567 PolarHBondContact O-N 2.93Å
566N92Very high91.7Very high98 Ų9850 Ų5052%0.52424%0.241SC..  trans56.92.7-173.6-64.3-52.3000116.3R561 C562R561-N566 VanDerWaalsContact CZ-OD1 3.3Å; R561-N566 PolarHBondContact NE-OD1 2.86Å; R561-N566 PolarHBondContact NH2-OD1 3.49Å; C562-N566 VanDerWaalsContact O-CA 3.25Å; C562-N566 WeakPolarHBondContact O-CA 3.22Å; C562-N566 PolarHBondContact O-N 3.18Å
567R92.3Very high90.4Very high105 Ų10553.8 Ų53.840%0.39626%0.259SS..  trans-59.4140175.1-71.7179.9173.5175.3-1.8111.1Y532 F534 C546 R561 C562 T565Y532-R567 PolarHBondContact OH-NH1 3.31Å; Y532-R567 VanDerWaalsContact OH-NH1 3.09Å; F534-R567 WeakPolarHBondContact CE1-O 3.27Å; F534-R567 HydrophobicContact CZ-CB 4.38Å; C546-R567 HydrophobicContact CB-CB 4.3Å; C546-R567 HydrophobicContact CB-CG 4.42Å; R561-R567 WeakPolarHBondContact CA-O 3.47Å; C562-R567 PolarHBondContact N-O 3.06Å; T565-R567 PolarHBondContact O-N 2.93Å
568A95Very high89Confident8 Ų858 Ų587%0.06628%0.282CS..EExtended strand (participates in β ladder)trans-106.3144179.100000111.7F539 T543 C545 C546 I552 Y560F539-A568 HydrophobicContact CE1-CB 3.64Å; F539-A568 HydrophobicContact CE2-CB 4.45Å; F539-A568 HydrophobicContact CZ-CB 3.54Å; T543-A568 HydrophobicContact CG2-CB 3.38Å; C545-A568 WeakPolarHBondContact CA-O 2.96Å; C546-A568 PolarHBondContact N-O 3.3Å; C546-A568 PolarHBondContact SG-O 3.42Å; I552-A568 HydrophobicContact CD1-CB 3.64Å; Y560-A568 CarbonylContact O-C 3.58Å; Y560-A568 VanDerWaalsContact O-CA 3.26Å; Y560-A568 WeakPolarHBondContact O-CA 3.19Å
569A94.5Very high87.8Confident0 Ų057.2 Ų57.20%028%0.279CS..EExtended strand (participates in β ladder)trans-150.8150.6177.300000114.2F534 C545 I547 Y560 L574F534-A569 HydrophobicContact CD1-CB 4.42Å; F534-A569 HydrophobicContact CE1-CB 3.92Å; C545-A569 VanDerWaalsContact SG-CA 3.58Å; I547-A569 HydrophobicContact CD1-CB 4.26Å; Y560-A569 PolarHBondContact N-O 3.35Å; Y560-A569 PolarHBondContact O-N 3.31Å; A569-L574 HydrophobicContact CB-CD2 3.81Å; A569-L574 HydrophobicContact CB-CG 3.98Å
570H94.7Very high86.4Confident39 Ų3960 Ų6018%0.18130%0.297CS..  trans-71.7153.5167.2-48.995.8000111.2C545 C548 L551 I552 N572 C573 L574C545-H570 WeakPolarHBondContact CB-CE1 3.34Å; C545-H570 WeakPolarHBondContact CB-ND1 3.11Å; C548-H570 VanDerWaalsContact SG-CE1 3.51Å; C548-H570 PolarHBondContact SG-ND1 3.11Å; L551-H570 PolarHBondContact O-NE2 3.41Å; I552-H570 WeakPolarHBondContact CA-NE2 3.45Å; H570-N572 VanDerWaalsContact C-N 3.32Å; H570-N572 PolarHBondContact O-N 3.36Å; H570-C573 HydrophobicContact CB-CB 4.27Å; H570-C573 WeakPolarHBondContact O-CB 3.46Å; H570-C573 PolarHBondContact O-N 3.02Å; H570-L574 PolarHBondContact O-N 3.24Å
571K93.7Very high84.7Confident55 Ų5566 Ų6624%0.23933%0.329CS..Hα-helixtrans-49.5-50175.8-163.6-180176.7179.80113.1S520 N521 P524 Y560 C573 L574 A575S520-K571 WeakPolarHBondContact O-CE 3.31Å; S520-K571 PolarHBondContact O-NZ 3.32Å; S520-K571 WeakPolarHBondContact OG-CE 3.45Å; S520-K571 PolarHBondContact OG-NZ 2.98Å; N521-K571 PolarHBondContact OD1-NZ 2.87Å; P524-K571 HydrophobicContact CB-CG 3.87Å; P524-K571 HydrophobicContact CG-CG 4.31Å; Y560-K571 HydrophobicContact CD2-CB 4.47Å; Y560-K571 HydrophobicContact CE2-CB 3.66Å; Y560-K571 HydrophobicContact CE2-CG 3.91Å; K571-C573 VanDerWaalsContact C-N 3.29Å; K571-C573 PolarHBondContact O-N 3.32Å; K571-L574 PolarHBondContact O-N 3Å; K571-A575 PolarHBondContact O-N 3.17Å
572N91.6Very high83Confident111 Ų11167 Ų6759%0.59433%0.333SS*.Hα-helixtrans-72.5-24-176.2-62.3-7.3000112.4H570 N576H570-N572 VanDerWaalsContact C-N 3.32Å; H570-N572 PolarHBondContact O-N 3.36Å; N572-N576 WeakPolarHBondContact O-CB 3.31Å; N572-N576 PolarHBondContact O-N 3.48Å; N572-N576 PolarHBondContact O-ND2 2.93Å
573C91.5Very high80.6Confident14 Ų1470.2 Ų70.210%0.09537%0.366CS..Hα-helixtrans-72.7-39.4176.5-68.50000111.4I547 C548 H570 K571 H577I547-C573 HydrophobicContact CB-CB 4.06Å; I547-C573 HydrophobicContact CD1-CB 3.9Å; I547-C573 HydrophobicContact CG2-CB 4.04Å; C548-C573 VanDerWaalsContact SG-SG 3.68Å; H570-C573 HydrophobicContact CB-CB 4.27Å; H570-C573 WeakPolarHBondContact O-CB 3.46Å; H570-C573 PolarHBondContact O-N 3.02Å; K571-C573 VanDerWaalsContact C-N 3.29Å; K571-C573 PolarHBondContact O-N 3.32Å; C573-H577 WeakPolarHBondContact O-CB 3.43Å; C573-H577 PolarHBondContact O-N 2.95Å; C573-H577 VanDerWaalsContact O-N 3.12Å
574L89.9Confident77.9Confident6 Ų669.3 Ų69.33%0.03137%0.372CS..Hα-helixtrans-62.3-44.3171.8-63.5176.1000111.6P524 P525 A527 F534 I547 Y560 A569 H570 K571 N576 L579P524-L574 HydrophobicContact CG-CD1 4.2Å; P525-L574 CarbonylContact O-C 3.58Å; A527-L574 HydrophobicContact CB-CD1 4.43Å; F534-L574 HydrophobicContact CB-CD1 3.72Å; F534-L574 HydrophobicContact CB-CD2 4.45Å; F534-L574 HydrophobicContact CD1-CD1 4.11Å; F534-L574 HydrophobicContact CD1-CD2 3.91Å; F534-L574 HydrophobicContact CD2-CD1 4.47Å; F534-L574 HydrophobicContact CD2-CD2 3.66Å; F534-L574 HydrophobicContact CE1-CD2 3.98Å; F534-L574 HydrophobicContact CE2-CD2 3.74Å; F534-L574 HydrophobicContact CG-CD1 3.87Å; F534-L574 HydrophobicContact CG-CD2 3.75Å; F534-L574 HydrophobicContact CG-CG 4.48Å; F534-L574 HydrophobicContact CZ-CD2 3.89Å; I547-L574 HydrophobicContact CD1-CD2 4.38Å; Y560-L574 HydrophobicContact CD1-CD1 4.28Å; Y560-L574 HydrophobicContact CD2-CD1 4.09Å; Y560-L574 HydrophobicContact CG-CD1 3.79Å; A569-L574 HydrophobicContact CB-CD2 3.81Å; A569-L574 HydrophobicContact CB-CG 3.98Å; H570-L574 PolarHBondContact O-N 3.24Å; K571-L574 PolarHBondContact O-N 3Å; L574-N576 VanDerWaalsContact C-N 3.33Å; L574-N576 PolarHBondContact O-N 2.87Å; L574-L579 HydrophobicContact CD2-CD1 4.3Å
575A84.4Confident75.1Confident43 Ų4370.6 Ų70.636%0.35539%0.394SS..Hα-helixtrans-68.9-27.1-176.500000114.5P525 K571P525-A575 HydrophobicContact CB-CB 4.11Å; P525-A575 HydrophobicContact CG-CB 4.36Å; P525-A575 WeakPolarHBondContact O-CA 3.38Å; P525-A575 PolarHBondContact O-N 2.59Å; K571-A575 PolarHBondContact O-N 3.17Å
576N73.5Confident72.2Confident122 Ų12273.2 Ų73.265%0.65241%0.414SS*.Hα-helixtrans-110.6-14.9-170.9-65.4-24.3000114.9N572 L574N572-N576 WeakPolarHBondContact O-CB 3.31Å; N572-N576 PolarHBondContact O-N 3.48Å; N572-N576 PolarHBondContact O-ND2 2.93Å; L574-N576 VanDerWaalsContact C-N 3.33Å; L574-N576 PolarHBondContact O-N 2.87Å
577H65.1Low69.2Low90 Ų9073.8 Ų73.842%0.41742%0.424SS..  trans-126.8131.1-171.1-61.7-97.6000113.9I547 C573 L579I547-H577 HydrophobicContact CD1-CB 4.5Å; I547-H577 HydrophobicContact CG2-CB 3.43Å; I547-H577 VanDerWaalsContact CG2-CB 3.43Å; I547-H577 VanDerWaalsContact CG2-CG 3.44Å; C573-H577 WeakPolarHBondContact O-CB 3.43Å; C573-H577 PolarHBondContact O-N 2.95Å; C573-H577 VanDerWaalsContact O-N 3.12Å; H577-L579 PolarHBondContact O-N 3.27Å; H577-L579 VanDerWaalsContact O-N 3.13Å
578N64.4Low66.1Low113 Ų11376.2 Ų76.260%0.60444%0.439SS*.  trans-76.396.7176.6-78-61.9000111.5R530R530-N578 VanDerWaalsContact CZ-OD1 3.29Å; R530-N578 VanDerWaalsContact NH2-CG 3.29Å; R530-N578 PolarHBondContact NH2-OD1 2.82Å
579L69Low63.1Low18 Ų1884 Ų849%0.09448%0.478CS..PPolyproline II helixtrans-54145.8165.9-76.4168.2000110.8R530 Y532 F534 I547 L574 H577 L581R530-L579 WeakPolarHBondContact CD-O 3.47Å; R530-L579 PolarHBondContact NH1-O 2.97Å; Y532-L579 HydrophobicContact CD2-CB 4.43Å; Y532-L579 HydrophobicContact CD2-CD1 4.2Å; Y532-L579 HydrophobicContact CE2-CB 3.87Å; Y532-L579 HydrophobicContact CE2-CD1 4.28Å; Y532-L579 HydrophobicContact CG-CD1 4.39Å; F534-L579 HydrophobicContact CE2-CD1 3.42Å; F534-L579 VanDerWaalsContact CE2-CD1 3.42Å; F534-L579 HydrophobicContact CZ-CD1 3.74Å; I547-L579 HydrophobicContact CD1-CD1 4.42Å; I547-L579 HydrophobicContact CD1-CD2 3.94Å; I547-L579 HydrophobicContact CD1-CG 4.02Å; I547-L579 HydrophobicContact CG1-CD2 3.7Å; I547-L579 HydrophobicContact CG1-CG 4.31Å; L574-L579 HydrophobicContact CD2-CD1 4.3Å; H577-L579 PolarHBondContact O-N 3.27Å; H577-L579 VanDerWaalsContact O-N 3.13Å; L579-L581 PolarHBondContact O-N 3.25Å
580P65.3Low60.1Low60 Ų6090.4 Ų90.439%0.3951%0.512SS..PPolyproline II helixtrans-60.9140.8174.226.4-34.2000109.9Y532 R582Y532-P580 VanDerWaalsContact CE2-O 3.24Å; Y532-P580 WeakPolarHBondContact CE2-O 3.47Å; Y532-P580 PolarHBondContact OH-O 3.03Å; P580-R582 PolarHBondContact O-N 3.44Å
581L60.5Low57Low134 Ų13491.9 Ų91.970%0.70254%0.538SS*.PPolyproline II helixtrans-50.6127.1177.9-82.6162.7000110.1R530 L579 G583R530-L581 HydrophobicContact CB-CD2 3.94Å; R530-L581 HydrophobicContact CG-CD2 3.88Å; L579-L581 PolarHBondContact O-N 3.25Å; L581-G583 PolarHBondContact O-N 3.12Å; L581-G583 VanDerWaalsContact O-N 3.11Å
582R59.5Low54.2Low110 Ų11095.9 Ų95.942%0.41557%0.566SS.*  trans-67.6114.3172.3-173.4-176.5173.4-145.1-4.9107.2R530 G531 Y532 P580 I584R530-R582 VanDerWaalsContact O-CB 3.29Å; R530-R582 WeakPolarHBondContact O-CB 3.35Å; R530-R582 PolarHBondContact O-N 3.46Å; R530-R582 VanDerWaalsContact O-N 3.07Å; G531-R582 WeakPolarHBondContact O-CD 3.46Å; G531-R582 PolarHBondContact O-NH1 2.89Å; G531-R582 VanDerWaalsContact O-NH1 3.12Å; Y532-R582 HydrophobicContact CE2-CB 4.11Å; P580-R582 PolarHBondContact O-N 3.44Å; R582-I584 PolarHBondContact O-N 3.48Å; R582-I584 VanDerWaalsContact O-N 3.15Å
583G43Very low51.4Low67 Ų6796.1 Ų96.169%0.69157%0.574SS**  trans-52.1122.1179.800000110.4L581 A585L581-G583 PolarHBondContact O-N 3.12Å; L581-G583 VanDerWaalsContact O-N 3.11Å; G583-A585 PolarHBondContact O-N 3.28Å
584I37.5Very low48.7Very low148 Ų148101 Ų10176%0.75961%0.606SS**  trans-66.1118.1176.4-60.2175.5000106.7R582 S586R582-I584 PolarHBondContact O-N 3.48Å; R582-I584 VanDerWaalsContact O-N 3.15Å; I584-S586 VanDerWaalsContact C-N 3.31Å; I584-S586 PolarHBondContact O-N 3.01Å
585A30.9Very low46Very low96 Ų96106.8 Ų106.879%0.79365%0.647SS**  trans-68.495165.800000107.4G583G583-A585 PolarHBondContact O-N 3.28Å
586S27.3Very low43.5Very low100 Ų100109.1 Ų109.170%0.69967%0.666SS**  trans-55.9123.1-174.6-62.70000111.1I584 H588I584-S586 VanDerWaalsContact C-N 3.31Å; I584-S586 PolarHBondContact O-N 3.01Å; S586-H588 PolarHBondContact O-N 3.23Å
587P29.8Very low41.6Very low111 Ų111109.3 Ų109.372%0.72167%0.674SS**  trans-69.7125174.328.6-32.8000109.7
588H27.6Very low40.5Very low156 Ų156110 Ų11072%0.72269%0.686SS**  trans46.497.7167.6-72.6-92.7000117.9S586 N590S586-H588 PolarHBondContact O-N 3.23Å; H588-N590 PolarHBondContact ND1-OD1 3.2Å
589I32Very low39.1Very low171 Ų171110.8 Ų110.888%0.87770%0.697SS**  trans-100.8116.1134.6-65.4-179.1000106.7
590N31.2Very low37.5Very low134 Ų134117.8 Ų117.872%0.71773%0.734SS**  trans-77.1133.1-178.9-68.7-30.4000110.4H588H588-N590 PolarHBondContact ND1-OD1 3.2Å
591G30.2Very low36.5Very low71 Ų71119.8 Ų119.873%0.73275%0.747SS**  trans-145.442.7-173.600000114.1
592V33.7Very low35.5Very low138 Ų138119.3 Ų119.384%0.83675%0.752SS**  trans-120113.8176.5-179.70000110.8
593P33.3Very low34.4Very low116 Ų116122.3 Ų122.375%0.75377%0.771SS**  trans-99.2151.1155.232.3-23.6000111.3
594P35.3Very low33.9Very low117 Ų117125.5 Ų125.576%0.7677%0.772SS**  trans-118.6157.9-15940.6-30.2000116.3
595S33.6Very low33.7Very low127 Ų127122.6 Ų122.689%0.88877%0.765SS**  trans-169.6138.7159.4-78.60000109.1
596A31.8Very low33.8Very low92 Ų92123.8 Ų123.876%0.7676%0.763SS**  cis-151.3166.7-9.800000109.9
597P32.3Very low34Very low126 Ų126125.2 Ų125.282%0.81877%0.767SS**  trans-114.3-148.1-162.348.2-37.2000113.4
598P43Very low34.1Very low105 Ų105130.9 Ų130.968%0.68277%0.774SS**  -127.2-175.6-126.834.4-10.2000115.7
599P34.8Very low34.1Very low129 Ų129128.5 Ų128.584%0.83878%0.775SS**  trans-88.1163.6162.234.4-32.5000113.5
600L34.7Very low34Very low165 Ų165132.4 Ų132.486%0.86478%0.778SS**  trans-120.6167.7-164.7-83.5168.1000114.5
601P44.1Very low33.8Very low102 Ų102136.5 Ų136.566%0.66278%0.784SS**  trans-98.8177.8-171.240.6-37.8000114.5
602P39.7Very low34Very low124 Ų124138.4 Ų138.481%0.80579%0.786SS**  trans-82.3162.5168.433.5-34.4000114.1
603Q36.3Very low33.8Very low174 Ų174139.9 Ų139.981%0.81378%0.783SS**  trans-95.1176.8-176.4-52.4174.1-9.500110.8
604N34Very low33.7Very low134 Ų134140.1 Ų140.172%0.71778%0.782SS**  cis-160.5-166.118.6-137.4-31.9000108
605S32.3Very low33.5Very low87 Ų87139.9 Ų139.961%0.60878%0.779SS**  cis-166.7156.43.1380000114.1
606T33.8Very low33.5Very low121 Ų121141.8 Ų141.874%0.74278%0.776SS**  trans66.5109.2144.451.70000124.9
607V30.9Very low33.4Very low129 Ų129140.5 Ų140.578%0.78277%0.771SS**  90.9134.1116172.10000123.3
608R30.9Very low33.4Very low231 Ų231140.1 Ų140.187%0.87277%0.771SS**  trans94.982.3152.4-99.5175.9-176.9-175.42123.7
609S27.7Very low32.7Very low106 Ų106141.7 Ų141.774%0.74178%0.779SS**  9.2127.3120.6-176.60000120.8
610R30.5Very low33.1Very low252 Ų252140.5 Ų140.595%0.95177%0.771SS**  -160.2-178.4126.8-114.2175.3-175-161.2-0.2114.3
611R28Very low32.7Very low221 Ų221137.5 Ų137.583%0.83476%0.763SS**  trans-164.9108.6-140.9-177.9-165-175.5-1391.4115.5
612S33.2Very low32Very low111 Ų111138.9 Ų138.978%0.77677%0.769SS**  trans-168.1128.3165.949.40000110
613H28.9Very low32.1Very low169 Ų169139 Ų13978%0.78277%0.771SS**  56.6136.760.7-69.9-77.5000113.1
614V33Very low31.8Very low121 Ų121134.2 Ų134.273%0.73377%0.768SS**  -157.8139.155.7157.80000113
615T30.3Very low31.7Very low111 Ų111134.9 Ų134.968%0.68177%0.771SS**  trans35.3149.3161.259.30000122.8
616M33.7Very low31.5Very low168 Ų168137.4 Ų137.483%0.82878%0.778SS**  cis-110.4-172.611.9-77.5-65.6175.700112
617G30.3Very low31.4Very low65 Ų65137.4 Ų137.467%0.6778%0.783SS**  cis107.6138.88.400000111.6
618S32Very low31.2Very low117 Ų117139.1 Ų139.182%0.81879%0.787SS**  cis-143.6172.710.9-66.30000113.4
619V28.1Very low31.3Very low138 Ų138132.7 Ų132.784%0.83678%0.775SS**  trans-134-165.9-168.2-144.30000110.3
620P42.7Very low31.4Very low105 Ų105134.8 Ų134.868%0.68278%0.778SS**  -127.8-169-110.145.8-29.9000118.3
621C26.6Very low31.4Very low102 Ų102128 Ų12869%0.68977%0.769SS**  trans92117.3143.7-77.10000123.7
622T30.2Very low31.4Very low130 Ų130127 Ų12780%0.79877%0.774SS**  trans73.4169.1137.265.90000119.3
623P40Very low31Very low128 Ų128126.4 Ų126.483%0.83177%0.77SS**  -134.4171-70.340.3-24.5000114.7
624G30.6Very low31Very low73 Ų73128.8 Ų128.875%0.75378%0.778SS**  trans17998.9170.900000120.1
625N31.1Very low30.6Very low148 Ų148129.7 Ų129.779%0.79178%0.779SS**  trans33.6137145.3-73.98.6000125.8
626N29.1Very low30.3Very low139 Ų139134 Ų13474%0.74379%0.789SS**  trans71.6103.1139.7-61.7-1.5000121.4
627S31.9Very low29.8Very low122 Ų122130 Ų13085%0.85378%0.777SS**  -172150.598.734.50000114.3
628L25.6Very low29.6Very low165 Ų165135.8 Ų135.886%0.86479%0.787SS**  trans-146.2164.1172.4-96.8165.6000104.9
629P34.9Very low29.3Very low96 Ų96137.5 Ų137.562%0.62379%0.786SS**  cis-147.8-174.635.345-25.4000117.3
630N28.8Very low29.1Very low149 Ų149137.2 Ų137.280%0.79779%0.785SS**  trans66135.3159.1-56.9-16.3000117.3
631S30.7Very low28.3Very low109 Ų109139.6 Ų139.676%0.76279%0.792SS**  cis-155.9155.231.5360000113.8
632E28Very low28.4Very low200 Ų200141.1 Ų141.194%0.93580%0.798SS**  trans41.689.2155.1-60.9-172.5178.100119.2
633S25.5Very low28.1Very low100 Ų100142.8 Ų142.870%0.69980%0.801SS**  trans-108.5148.6154.658.90000110.8
634F27.5Very low27.5Very low218 Ų218141.9 Ų141.996%0.95680%0.798SS**  trans-161.861.4138.2-99.6-60.2000109.4
635D24.7Very low27.3Very low141 Ų141143.9 Ų143.975%0.75480%0.8SS**  trans-81.6142.6168.7-161.8-8.6000110S637D635-S637 VanDerWaalsContact C-N 3.26Å; D635-S637 PolarHBondContact O-N 2.95Å
636F23.4Very low27.1Very low200 Ų200142.8 Ų142.888%0.87780%0.799SS**SBendtrans-90.253.5-168.3-158.8-96.4000112
637S24.4Very low27Very low84 Ų84143.9 Ų143.959%0.58781%0.805SS**  trans-127.454.9-170.971.40000113.6D635D635-S637 VanDerWaalsContact C-N 3.26Å; D635-S637 PolarHBondContact O-N 2.95Å
638Q25.9Very low26.7Very low188 Ų188146.4 Ų146.488%0.87980%0.803SS**  trans-156.472.7170.3-128.1163.7103.100113.5
639L25.1Very low26.7Very low152 Ų152150.6 Ų150.680%0.79681%0.807SS**  trans-148.644167.9-117.3177.8000112.2
640T25.4Very low26.3Very low132 Ų132154.3 Ų154.381%0.8182%0.821SS**  trans-137.359.3-177.453.70000112.1
641D25.5Very low26.1Very low155 Ų155151.5 Ų151.583%0.82982%0.818SS**  trans-150.266170.4-108-36.3000111.6
642T27.4Very low25.9Very low134 Ų134152.7 Ų152.782%0.82282%0.821SS**SBendtrans-163.431.9169.9-4.10000113.6
643L25.4Very low25.8Very low166 Ų166150.8 Ų150.887%0.86982%0.817SS**  trans-144.848.9-171.2-125.6154.9000114.4
644S25.9Very low25.9Very low108 Ų108154.6 Ų154.676%0.75582%0.824SS**SBendtrans-122.531.5-17348.80000114.2
645S26.9Very low26Very low115 Ų115150.8 Ų150.880%0.80481%0.813SS**SBendtrans-147.612.4-179.7-61.80000116.7
646V27.3Very low26.3Very low126 Ų126150.2 Ų150.276%0.76481%0.81SS**  trans-133.573.2-179.9-169.30000111.2
647N27.1Very low26.6Very low161 Ų161149.3 Ų149.386%0.86181%0.814SS**  trans-160.342.1174.3-110-13.5000113.8
648H26Very low26.9Very low175 Ų175149.4 Ų149.481%0.8181%0.814SS**  trans-138.632.6-177.1-151.3-59.8000114.9
649W25.5Very low27.1Very low254 Ų254147.8 Ų147.896%0.96281%0.812SS**SBendtrans-140.461.9179.6-78.189000112.4
650L25.7Very low27.3Very low173 Ų173145.3 Ų145.391%0.90681%0.813SS**SBendtrans-15718.7169.9-117.9173.9000115.5
651A25.2Very low27.5Very low90 Ų90144.9 Ų144.974%0.74481%0.811SS**SBendtrans-150.341.5-172.200000116.6
652T26.1Very low27.4Very low134 Ų134145.1 Ų145.182%0.82281%0.811SS**  trans-161118.4159.743.60000110.6
653D25.7Very low27.6Very low160 Ų160148.1 Ų148.186%0.85682%0.816SS**  trans-172.497.7145.4-108.7-26.6000110.4
654H26.9Very low27.5Very low181 Ų181151 Ų15184%0.83882%0.815SS**  trans-176.1154.7151.4-100.7-57.2000110.6
655N31.4Very low27.6Very low138 Ų138153.5 Ų153.574%0.73882%0.82SS**  trans71.7131.3178.6-58-18.6000114.8
656N30.2Very low27.4Very low129 Ų129159.1 Ų159.169%0.6982%0.823SS**  cis-150.4141.67.8-101.3-32000112.6
657L30.5Very low27.4Very low181 Ų181165.1 Ų165.195%0.94883%0.832SS**  trans-149.2141131.1-147.473.7000109.4
658S29.1Very low27.2Very low86 Ų86165.2 Ų165.260%0.60183%0.831SS**  trans-134.6157-162.2530000114.2
659N29.8Very low27.1Very low153 Ų153162.4 Ų162.482%0.81883%0.831SS**  trans101.3111.4162.1-53.6-35.1000118.4
660A30.7Very low27Very low100 Ų100156.1 Ų156.183%0.82683%0.826SS**  trans179.176.2134.300000114
661T28.6Very low27.1Very low124 Ų124151.4 Ų151.476%0.76182%0.819SS**  trans15.4117.4141-48.20000121.7
662L24.9Very low27Very low159 Ų159154.7 Ų154.783%0.83282%0.823SS**  trans42.2125.5142.8-56.9168.8000121.6
663Q30.5Very low27.1Very low197 Ų197154 Ų15492%0.92182%0.821SS**  -172.7173.899.6-99.6-167.224.200114
664R23.1Very low27Very low227 Ų227152.5 Ų152.586%0.85782%0.818SS**  trans-81.1146.9-172-64.5170.2167.9143.7-6.4113.3
665N28.5Very low27.1Very low160 Ų160148.8 Ų148.886%0.85681%0.812SS**  -166.9162.6106.9-109-38.3000115.6
666R22.3Very low26.9Very low233 Ų233147.9 Ų147.988%0.87982%0.816SS**  trans-84.6148.1179.2-60.2170.9174.8163-4.9111.9
667R27.2Very low26.8Very low252 Ų252148.3 Ų148.395%0.95182%0.818SS**  trans-155.2158.1133-110.4173.3-157.8-153.84.4111
668I23.2Very low26.6Very low164 Ų164144.7 Ų144.784%0.84181%0.805SS**  trans-104138.2-174.9-61.6162.3000108
669S25.1Very low26.8Very low116 Ų116144.8 Ų144.881%0.81180%0.803SS**  trans-166.5148.4145.1-99.80000111.9
670S23.1Very low26.7Very low122 Ų122143.4 Ų143.485%0.85380%0.8SS**  trans-47.6139.4175.749.30000115.8
671G26.6Very low26.9Very low73 Ų73143.3 Ų143.375%0.75379%0.794SS**  trans-159.6102.5165.400000110.6P673G671-P673 WeakPolarHBondContact O-CD 3.46Å
672L23.1Very low27.5Very low160 Ų160140.9 Ų140.984%0.83878%0.78SS**  trans-81.1120.2-179.2-153.880000109.4T674L672-T674 PolarHBondContact O-N 3.35Å; L672-T674 VanDerWaalsContact O-N 3.16Å
673P27.7Very low29.7Very low120 Ų120134.7 Ų134.778%0.77975%0.749SS**  trans-78.399.717330.7-31.1000109.1G671 S675G671-P673 WeakPolarHBondContact O-CD 3.46Å; P673-S675 PolarHBondContact O-N 3.01Å
674T25Very low32.2Very low128 Ų128128.2 Ų128.279%0.78572%0.718SS**  trans-63.1115.6174.543.20000110.2L672 S676L672-T674 PolarHBondContact O-N 3.35Å; L672-T674 VanDerWaalsContact O-N 3.16Å; T674-S676 PolarHBondContact O-N 3.29Å
675S27.8Very low35.2Very low102 Ų102117.4 Ų117.471%0.71368%0.677SS**  trans-66.6118.217852.70000110.6P673 I677P673-S675 PolarHBondContact O-N 3.01Å; S675-I677 PolarHBondContact O-N 3.18Å
676S27.5Very low38.2Very low119 Ų119111.6 Ų111.683%0.83265%0.645SS**  trans-69.1100.1174.638.20000111T674 P678T674-S676 PolarHBondContact O-N 3.29Å; S676-P678 WeakPolarHBondContact O-CD 3.43Å
677I28.5Very low41.5Very low139 Ų139100.5 Ų100.571%0.71360%0.603SS**  trans-70.7125.7173.3-61167000109.1S675 P679S675-I677 PolarHBondContact O-N 3.18Å; I677-P679 WeakPolarHBondContact O-CD 3.49Å
678P25.7Very low44.4Very low105 Ų10595 Ų9568%0.68258%0.583SS**  trans-89.6110.216332.3-25.7000109.4S676S676-P678 WeakPolarHBondContact O-CD 3.43Å
679P33.3Very low47.5Very low87 Ų8792.4 Ų92.457%0.56557%0.565SS**  trans-64.4138.9167.427.9-32.7000109.1I677I677-P679 WeakPolarHBondContact O-CD 3.49Å
680V28.5Very low50.6Low125 Ų12589.9 Ų89.976%0.75855%0.551SS**  cis67.288.330.6-168.80000112.5
681S35.4Very low53.9Low98 Ų9884.2 Ų84.269%0.68551%0.511SS*.SBendtrans69.1149172.2-50.70000116.1T683S681-T683 PolarHBondContact O-N 2.87Å
682P40.9Very low56.9Low72 Ų7285.7 Ų85.747%0.46850%0.502SS..PPolyproline II helixtrans-65131.4174.326.6-33.5000110.8F684 E713P682-F684 HydrophobicContact CB-CE2 4.5Å; P682-F684 HydrophobicContact CG-CE2 4.27Å; P682-F684 HydrophobicContact CG-CZ 4.48Å; P682-E713 HydrophobicContact CB-CG 3.98Å; P682-E713 WeakPolarHBondContact CB-OE1 3.35Å
683T69.8Low59.8Low30 Ų3078.4 Ų78.418%0.18447%0.466CS..EExtended strand (participates in β ladder)trans-90.6129.7178-48.10000109.2S681 L714 W717 M742S681-T683 PolarHBondContact O-N 2.87Å; T683-L714 HydrophobicContact CG2-CD1 4.01Å; T683-L714 VanDerWaalsContact O-CB 3.31Å; T683-L714 WeakPolarHBondContact O-CB 3.33Å; T683-L714 WeakPolarHBondContact O-CG 3.29Å; T683-L714 PolarHBondContact O-N 3.08Å; T683-W717 HydrophobicContact CG2-CZ2 4.31Å; T683-W717 PolarHBondContact OG1-NE1 3.22Å; T683-M742 HydrophobicContact CG2-CE 4.15Å
684F83Confident62.4Low61 Ų6178.2 Ų78.227%0.26846%0.458SS..EExtended strand (participates in β ladder)trans-103.2145.7176.3-65.7-83.1000112.1P682 Q711 V712 E713 V743P682-F684 HydrophobicContact CB-CE2 4.5Å; P682-F684 HydrophobicContact CG-CE2 4.27Å; P682-F684 HydrophobicContact CG-CZ 4.48Å; F684-Q711 HydrophobicContact CB-CG 4.37Å; F684-Q711 HydrophobicContact CD1-CG 3.9Å; F684-Q711 VanDerWaalsContact CD1-NE2 3.32Å; F684-Q711 HydrophobicContact CG-CG 4.43Å; F684-V712 WeakPolarHBondContact CA-O 3.43Å; F684-E713 HydrophobicContact CD1-CB 4.06Å; F684-E713 HydrophobicContact CD1-CG 4.32Å; F684-E713 HydrophobicContact CE1-CB 3.73Å; F684-E713 HydrophobicContact CE1-CG 3.79Å; F684-E713 HydrophobicContact CZ-CG 4.19Å; F684-V743 PolarHBondContact O-N 3.09Å
685A87.9Confident65Low0 Ų076 Ų760%045%0.446CS..EExtended strand (participates in β ladder)trans-128.7154.6170.200000110.4V712 L714 V740 E741A685-V712 PolarHBondContact N-O 2.8Å; A685-V712 PolarHBondContact O-N 3.24Å; A685-L714 HydrophobicContact CB-CD1 4.26Å; A685-L714 HydrophobicContact CB-CD2 4.12Å; A685-L714 HydrophobicContact CB-CG 4.34Å; A685-V740 HydrophobicContact CB-CB 3.88Å; A685-V740 HydrophobicContact CB-CG2 3.84Å; A685-E741 CarbonylContact C-O 3.52Å; A685-E741 VanDerWaalsContact CA-O 3.29Å; A685-E741 WeakPolarHBondContact CA-O 3.12Å; A685-E741 WeakPolarHBondContact CB-O 3.32Å
686I90.7Very high67.6Low38 Ų3877 Ų7720%0.19544%0.443CS..EExtended strand (participates in β ladder)trans-110.9129.3176.6-67173.6000109.5R688 D710 V740 E741 V743I686-R688 PolarHBondContact O-N 3.04Å; I686-D710 CarbonylContact C-O 3.59Å; I686-D710 WeakPolarHBondContact CA-O 3.48Å; I686-V740 CarbonylContact O-C 3.48Å; I686-V740 VanDerWaalsContact O-CA 3.3Å; I686-V740 WeakPolarHBondContact O-CA 3.37Å; I686-E741 PolarHBondContact N-O 2.95Å; I686-E741 PolarHBondContact O-N 3Å; I686-V743 HydrophobicContact CB-CG2 4.41Å; I686-V743 HydrophobicContact CD1-CG2 3.68Å; I686-V743 HydrophobicContact CG1-CG2 3.76Å
687A91.1Very high70.3Confident0 Ų071.7 Ų71.70%041%0.405CS..EExtended strand (participates in β ladder)trans-65120.2174.400000111.4L706 S707 G709 D710 V740A687-L706 HydrophobicContact CB-CB 4.09Å; A687-L706 HydrophobicContact CB-CD1 4.31Å; A687-S707 WeakPolarHBondContact CB-O 3.33Å; A687-G709 PolarHBondContact O-N 3.04Å; A687-D710 HydrophobicContact CB-CB 3.97Å; A687-D710 PolarHBondContact N-O 3.19Å; A687-V740 HydrophobicContact CB-CG1 4.4Å
688R88.5Confident72.6Confident136 Ų13668.1 Ų68.151%0.51339%0.391SS..SBendtrans-102.2-14.2176.8-62.2-50.8-162.6-168.73.6113.2I686 H739 E741I686-R688 PolarHBondContact O-N 3.04Å; R688-H739 PolarHBondContact N-O 3.25Å; R688-E741 HydrophobicContact CG-CB 3.71Å; R688-E741 IonicContact CZ-OE2 2.68Å; R688-E741 IonicContact NE-OE2 3.65Å; R688-E741 PolarHBondContact NE-OE2 3.17Å; R688-E741 IonicContact NH2-OE2 2.77Å; R688-E741 PolarHBondContact NH2-OE2 2.57Å
689K88.2Confident74.8Confident109 Ų10969.4 Ų69.447%0.47440%0.402SS..SBendtrans-135141.4171.8-62.5172.8-168.9150.40107.9N738 H739K689-N738 PolarHBondContact NZ-O 2.89Å; K689-H739 HydrophobicContact CB-CB 4.29Å; K689-H739 PolarHBondContact N-O 3.04Å; K689-H739 VanDerWaalsContact N-O 3.09Å
690A90.2Very high76.5Confident63 Ų6368.7 Ų68.752%0.52141%0.411SS..  trans-67.1145.6169.400000109.9L706 V708 H739A690-L706 CarbonylContact C-O 3.5Å; A690-L706 WeakPolarHBondContact CA-O 3.22Å; A690-L706 WeakPolarHBondContact CB-O 3.19Å; A690-V708 HydrophobicContact CB-CG2 4.28Å; A690-H739 PolarHBondContact O-CD2 2.65Å
691Y93.1Very high79.2Confident4 Ų464.5 Ų64.52%0.01639%0.387CS..BIsolated β-bridgetrans-136116.6174.7169.8-115.2000107.6G693 D694 P695 P703 L704 R705 L706 W723 F735 P736Y691-G693 PolarHBondContact OH-O 3.38Å; Y691-G693 VanDerWaalsContact OH-O 3.06Å; Y691-D694 WeakPolarHBondContact CD2-O 3.36Å; Y691-D694 WeakPolarHBondContact CE2-O 3.49Å; Y691-P695 WeakPolarHBondContact CE2-O 3.23Å; Y691-P695 PolarHBondContact OH-O 3.15Å; Y691-P703 HydrophobicContact CE1-CB 4.07Å; Y691-P703 WeakPolarHBondContact OH-CB 3.13Å; Y691-L704 WeakPolarHBondContact CD1-O 3.48Å; Y691-L704 WeakPolarHBondContact CE1-O 3.46Å; Y691-R705 CarbonylContact O-C 3.3Å; Y691-R705 VanDerWaalsContact O-CA 3.31Å; Y691-R705 WeakPolarHBondContact O-CA 3.35Å; Y691-L706 PolarHBondContact N-O 2.63Å; Y691-L706 PolarHBondContact O-N 2.74Å; Y691-W723 HydrophobicContact CE2-CH2 4.47Å; Y691-W723 WeakPolarHBondContact OH-CH2 3.43Å; Y691-F735 HydrophobicContact CD1-CB 3.74Å; Y691-F735 HydrophobicContact CE1-CB 3.93Å; Y691-P736 HydrophobicContact CD2-CG 4.07Å; Y691-P736 HydrophobicContact CE2-CG 3.91Å
692D89.1Confident81.6Confident104 Ų10467.1 Ų67.156%0.55639%0.388SS*.  trans-96.6-1.6-172.158.73.2000113.6D694 R705D692-D694 PolarHBondContact OD1-N 2.93Å; D692-D694 VanDerWaalsContact OD1-N 3.09Å; D692-R705 PolarHBondContact O-NE 3.19Å; D692-R705 PolarHBondContact O-NH2 3.41Å; D692-R705 VanDerWaalsContact O-NH2 3.11Å
693G83.9Confident84Confident7 Ų765.9 Ų65.97%0.07238%0.38CS..SBendtrans117.6-11.7-176.600000114Y691 P695Y691-G693 PolarHBondContact OH-O 3.38Å; Y691-G693 VanDerWaalsContact OH-O 3.06Å; G693-P695 CarbonylContact O-C 3.56Å; G693-P695 VanDerWaalsContact O-C 3.3Å; G693-P695 VanDerWaalsContact O-O 3.08Å
694D82Confident85Confident115 Ų11564.6 Ų64.662%0.61537%0.372SS*.  trans-109134.1177.1-92.4-53.5000113.4Y691 D692Y691-D694 WeakPolarHBondContact CD2-O 3.36Å; Y691-D694 WeakPolarHBondContact CE2-O 3.49Å; D692-D694 PolarHBondContact OD1-N 2.93Å; D692-D694 VanDerWaalsContact OD1-N 3.09Å
695P80.9Confident85.4Confident83 Ų8370.6 Ų70.654%0.53939%0.393SS..SBendcis-67156.7-3.731.3-36.8000112.2Y691 G693 W723Y691-P695 WeakPolarHBondContact CE2-O 3.23Å; Y691-P695 PolarHBondContact OH-O 3.15Å; G693-P695 CarbonylContact O-C 3.56Å; G693-P695 VanDerWaalsContact O-C 3.3Å; G693-P695 VanDerWaalsContact O-O 3.08Å; P695-W723 HydrophobicContact CG-CZ2 4.29Å; P695-W723 VanDerWaalsContact O-CH2 3.28Å; P695-W723 WeakPolarHBondContact O-CH2 3.31Å
696L81.5Confident85.6Confident122 Ų12270.9 Ų70.964%0.63939%0.394SS*.PPolyproline II helixtrans-67.5150.1177.5-76.4166.5000113.2P703 W723L696-P703 HydrophobicContact CD2-CG 4.36Å; L696-W723 WeakPolarHBondContact O-CZ2 3.22Å
697P84.7Confident85.7Confident8 Ų872.5 Ų72.55%0.05241%0.409CS..PPolyproline II helixtrans-65.8152.3178.9-22.334.5000114.3S701 P703 W723 W734P697-S701 VanDerWaalsContact CG-O 3.29Å; P697-S701 WeakPolarHBondContact CG-O 3.48Å; P697-P703 HydrophobicContact CG-CB 3.88Å; P697-W723 VanDerWaalsContact CA-CH2 3.5Å; P697-W723 HydrophobicContact CB-CE3 4.18Å; P697-W723 HydrophobicContact CB-CH2 4.07Å; P697-W723 HydrophobicContact CB-CZ3 3.81Å; P697-W723 HydrophobicContact CG-CE3 4.49Å; P697-W723 HydrophobicContact CG-CH2 3.94Å; P697-W723 HydrophobicContact CG-CZ3 3.7Å; P697-W734 HydrophobicContact CB-CB 3.78Å; P697-W734 HydrophobicContact CB-CG 4.4Å; P697-W734 HydrophobicContact CG-CB 3.86Å
698P77.3Confident85.7Confident63 Ų6377.3 Ų77.341%0.40944%0.439SS..G310 helixtrans-59150.7173.325.3-34000112.1G700 S701 W723P698-G700 PolarHBondContact O-N 3.02Å; P698-G700 VanDerWaalsContact O-N 3.14Å; P698-S701 PolarHBondContact O-N 2.78Å; P698-S701 PolarHBondContact O-OG 2.77Å; P698-W723 HydrophobicContact CG-CB 4.43Å; P698-W723 HydrophobicContact CG-CD2 4.4Å; P698-W723 HydrophobicContact CG-CG 4.03Å
699S70.3Confident85.6Confident132 Ų13273.2 Ų73.292%0.92344%0.438SS*.G310 helixtrans58.718.3179.5-58.80000115.9S701S699-S701 VanDerWaalsContact C-N 3.32Å
700G70.4Confident85.7Confident72 Ų7269.5 Ų69.574%0.74242%0.424SS*.G310 helixtrans75.220.5176.700000114.1P698P698-G700 PolarHBondContact O-N 3.02Å; P698-G700 VanDerWaalsContact O-N 3.14Å
701S83.9Confident85.8Confident37 Ų3771.9 Ų71.926%0.25942%0.424SS..PPolyproline II helixtrans-66.9151.9177.1-46.90000111.3P697 P698 S699P697-S701 VanDerWaalsContact CG-O 3.29Å; P697-S701 WeakPolarHBondContact CG-O 3.48Å; P698-S701 PolarHBondContact O-N 2.78Å; P698-S701 PolarHBondContact O-OG 2.77Å; S699-S701 VanDerWaalsContact C-N 3.32Å
702H86.9Confident85.6Confident154 Ų15471.7 Ų71.771%0.71342%0.423SS*.PPolyproline II helixtrans-66.9130.9179.2-63.1-59.9000111.9G733 W734H702-G733 WeakPolarHBondContact O-CA 3.36Å; H702-W734 PolarHBondContact O-N 2.88Å
703P90Very high85.6Confident46 Ų4670.2 Ų70.230%0.29941%0.413SS..BIsolated β-bridgetrans-74.5135.517427.9-32.1000111.6Y691 L696 P697 W734Y691-P703 HydrophobicContact CE1-CB 4.07Å; Y691-P703 WeakPolarHBondContact OH-CB 3.13Å; L696-P703 HydrophobicContact CD2-CG 4.36Å; P697-P703 HydrophobicContact CG-CB 3.88Å; P703-W734 CarbonylContact C-O 3.48Å; P703-W734 WeakPolarHBondContact CA-O 3.27Å
704L91.6Very high85.8Confident3 Ų370.5 Ų70.52%0.01641%0.413CS..PPolyproline II helixtrans-88.5116.5167.5-179.462.7000108.8Y691 L706 V712 C728 S731 W734 F735Y691-L704 WeakPolarHBondContact CD1-O 3.48Å; Y691-L704 WeakPolarHBondContact CE1-O 3.46Å; L704-L706 HydrophobicContact CD2-CD2 4.08Å; L704-L706 HydrophobicContact CG-CD2 4.1Å; L704-V712 HydrophobicContact CD2-CG1 4.01Å; L704-C728 HydrophobicContact CD1-CB 4.15Å; L704-C728 HydrophobicContact CD2-CB 3.91Å; L704-C728 HydrophobicContact CG-CB 4.31Å; L704-S731 VanDerWaalsContact CD1-O 3.29Å; L704-S731 WeakPolarHBondContact CD1-O 3.16Å; L704-W734 PolarHBondContact N-O 3.38Å; L704-F735 HydrophobicContact CB-CD1 4.21Å; L704-F735 HydrophobicContact CD2-CD1 3.86Å; L704-F735 HydrophobicContact CD2-CE1 4.12Å
705R91.7Very high85.9Confident187 Ų18768.8 Ų68.871%0.70640%0.403SS*.PPolyproline II helixtrans-72.1140.7173.9-72.2-178.3164.1166.1-4.9110.7Y691 D692Y691-R705 CarbonylContact O-C 3.3Å; Y691-R705 VanDerWaalsContact O-CA 3.31Å; Y691-R705 WeakPolarHBondContact O-CA 3.35Å; D692-R705 PolarHBondContact O-NE 3.19Å; D692-R705 PolarHBondContact O-NH2 3.41Å; D692-R705 VanDerWaalsContact O-NH2 3.11Å
706L92.4Very high86Confident5 Ų570.4 Ų70.43%0.02640%0.401CS..BIsolated β-bridgetrans-133.4136.9179.4-59.1176.8000110.2A687 A690 Y691 L704 D710 V712 C728 F735 V740A687-L706 HydrophobicContact CB-CB 4.09Å; A687-L706 HydrophobicContact CB-CD1 4.31Å; A690-L706 CarbonylContact C-O 3.5Å; A690-L706 WeakPolarHBondContact CA-O 3.22Å; A690-L706 WeakPolarHBondContact CB-O 3.19Å; Y691-L706 PolarHBondContact N-O 2.63Å; Y691-L706 PolarHBondContact O-N 2.74Å; L704-L706 HydrophobicContact CD2-CD2 4.08Å; L704-L706 HydrophobicContact CG-CD2 4.1Å; L706-D710 WeakPolarHBondContact CA-OD2 3.36Å; L706-D710 HydrophobicContact CD2-CB 4.49Å; L706-V712 HydrophobicContact CD1-CG2 4.23Å; L706-V712 HydrophobicContact CD2-CG2 3.42Å; L706-V712 VanDerWaalsContact CD2-CG2 3.42Å; L706-V712 HydrophobicContact CG-CG2 4.49Å; L706-C728 HydrophobicContact CD2-CB 4.09Å; L706-F735 HydrophobicContact CD1-CB 3.88Å; L706-F735 HydrophobicContact CD1-CD1 4.38Å; L706-F735 HydrophobicContact CD1-CD2 3.93Å; L706-F735 HydrophobicContact CD1-CG 3.78Å; L706-V740 HydrophobicContact CD1-CG1 3.81Å
707S91.6Very high86.1Confident73 Ų7368.3 Ų68.351%0.5139%0.385SS..  trans-98169.6164.1-51.90000110.4A687 G709 D710A687-S707 WeakPolarHBondContact CB-O 3.33Å; S707-G709 PolarHBondContact O-N 3.23Å; S707-D710 VanDerWaalsContact CB-OD1 3.27Å; S707-D710 WeakPolarHBondContact CB-OD1 3.38Å; S707-D710 VanDerWaalsContact N-CG 3.31Å; S707-D710 PolarHBondContact N-OD2 3.38Å
708V90.9Very high85.6Confident101 Ų10172.6 Ų72.661%0.61241%0.411SS*.THydrogen-bonded Turntrans-79113.8178.5-179.20000109.8A690A690-V708 HydrophobicContact CB-CG2 4.28Å
709G87.2Confident85Confident49 Ų4977.9 Ų77.951%0.50543%0.431SS..THydrogen-bonded Turntrans123.7-22.1-177.100000113.8A687 S707A687-G709 PolarHBondContact O-N 3.04Å; S707-G709 PolarHBondContact O-N 3.23Å
710D90.6Very high84.8Confident32 Ų3275.6 Ų75.617%0.17143%0.428CS..  trans-56.5134-174.4-63.119.4000112.8I686 A687 L706 S707I686-D710 CarbonylContact C-O 3.59Å; I686-D710 WeakPolarHBondContact CA-O 3.48Å; A687-D710 HydrophobicContact CB-CB 3.97Å; A687-D710 PolarHBondContact N-O 3.19Å; L706-D710 WeakPolarHBondContact CA-OD2 3.36Å; L706-D710 HydrophobicContact CD2-CB 4.49Å; S707-D710 VanDerWaalsContact CB-OD1 3.27Å; S707-D710 WeakPolarHBondContact CB-OD1 3.38Å; S707-D710 VanDerWaalsContact N-CG 3.31Å; S707-D710 PolarHBondContact N-OD2 3.38Å
711Q90.9Very high85.2Confident112 Ų11274.3 Ų74.352%0.52341%0.408SS..EExtended strand (participates in β ladder)trans-95.4109.8176.1179.3172.6-32.500110.1F684F684-Q711 HydrophobicContact CB-CG 4.37Å; F684-Q711 HydrophobicContact CD1-CG 3.9Å; F684-Q711 VanDerWaalsContact CD1-NE2 3.32Å; F684-Q711 HydrophobicContact CG-CG 4.43Å
712V89.1Confident85.2Confident0 Ų076.7 Ų76.70%042%0.424CS..EExtended strand (participates in β ladder)trans-98.5127-176.8-168.10000110.3F684 A685 L704 L706 L714 Y727 C728 F735 V740F684-V712 WeakPolarHBondContact CA-O 3.43Å; A685-V712 PolarHBondContact N-O 2.8Å; A685-V712 PolarHBondContact O-N 3.24Å; L704-V712 HydrophobicContact CD2-CG1 4.01Å; L706-V712 HydrophobicContact CD1-CG2 4.23Å; L706-V712 HydrophobicContact CD2-CG2 3.42Å; L706-V712 VanDerWaalsContact CD2-CG2 3.42Å; L706-V712 HydrophobicContact CG-CG2 4.49Å; V712-L714 HydrophobicContact CG1-CD2 4.46Å; V712-Y727 WeakPolarHBondContact CA-O 3.31Å; V712-C728 HydrophobicContact CG2-CB 4.37Å; V712-F735 HydrophobicContact CG1-CE1 3.65Å; V712-F735 HydrophobicContact CG1-CZ 3.84Å; V712-V740 HydrophobicContact CG2-CG1 4.3Å
713E90.4Very high85.3Confident74 Ų7471.1 Ų71.135%0.34640%0.397SS..EExtended strand (participates in β ladder)trans-83.2122.6168.9-168.3175.9175.600109.5P682 F684 I715 G726 Y727P682-E713 HydrophobicContact CB-CG 3.98Å; P682-E713 WeakPolarHBondContact CB-OE1 3.35Å; F684-E713 HydrophobicContact CD1-CB 4.06Å; F684-E713 HydrophobicContact CD1-CG 4.32Å; F684-E713 HydrophobicContact CE1-CB 3.73Å; F684-E713 HydrophobicContact CE1-CG 3.79Å; F684-E713 HydrophobicContact CZ-CG 4.19Å; E713-I715 PolarHBondContact O-N 2.99Å; E713-G726 CarbonylContact O-C 3.45Å; E713-G726 WeakPolarHBondContact O-CA 3.32Å; E713-Y727 PolarHBondContact N-O 3.25Å; E713-Y727 PolarHBondContact O-N 3.03Å
714L88.2Confident85.3Confident13 Ų1370 Ų707%0.06839%0.386CS..EExtended strand (participates in β ladder)trans-85.6110.8-173.9-57.2-179.2000111.7T683 A685 V712 W717 W724 F735 M742T683-L714 HydrophobicContact CG2-CD1 4.01Å; T683-L714 VanDerWaalsContact O-CB 3.31Å; T683-L714 WeakPolarHBondContact O-CB 3.33Å; T683-L714 WeakPolarHBondContact O-CG 3.29Å; T683-L714 PolarHBondContact O-N 3.08Å; A685-L714 HydrophobicContact CB-CD1 4.26Å; A685-L714 HydrophobicContact CB-CD2 4.12Å; A685-L714 HydrophobicContact CB-CG 4.34Å; V712-L714 HydrophobicContact CG1-CD2 4.46Å; L714-W717 HydrophobicContact CB-CB 4.42Å; L714-W717 VanDerWaalsContact CB-CD1 3.5Å; L714-W717 HydrophobicContact CB-CG 4.14Å; L714-W717 HydrophobicContact CD1-CB 4.15Å; L714-W717 HydrophobicContact CD1-CD2 4.18Å; L714-W717 HydrophobicContact CD1-CG 3.76Å; L714-W724 HydrophobicContact CD1-CE3 4.25Å; L714-W724 HydrophobicContact CD1-CZ3 4.3Å; L714-W724 HydrophobicContact CD2-CE3 4.04Å; L714-F735 HydrophobicContact CD2-CZ 3.69Å; L714-M742 HydrophobicContact CD1-CG 4.3Å
715I84.5Confident85.3Confident78 Ų7870.6 Ų70.640%0.439%0.389SS..EExtended strand (participates in β ladder)trans-85.4-44178.9-61.4167.7000111.1E713 Q725 E732E713-I715 PolarHBondContact O-N 2.99Å; I715-Q725 PolarHBondContact N-O 3.27Å; I715-E732 HydrophobicContact CD1-CG 3.72Å
716K81.7Confident85.3Confident117 Ų11761.7 Ų61.751%0.50936%0.356SS..EExtended strand (participates in β ladder)trans-138.1116.8170.7-52.9-165.9-171.986.80109.8W724 Q725K716-W724 WeakPolarHBondContact O-CA 3.47Å; K716-Q725 HydrophobicContact CB-CB 4.01Å; K716-Q725 HydrophobicContact CG-CB 4.43Å; K716-Q725 PolarHBondContact N-O 3.25Å; K716-Q725 PolarHBondContact O-N 3.06Å
717W84.8Confident85.2Confident78 Ų7865.6 Ų65.630%0.29537%0.371SS..  trans-138.3151172.269.2-80.5000109.5T683 L714 E719 W724 M742T683-W717 HydrophobicContact CG2-CZ2 4.31Å; T683-W717 PolarHBondContact OG1-NE1 3.22Å; L714-W717 HydrophobicContact CB-CB 4.42Å; L714-W717 VanDerWaalsContact CB-CD1 3.5Å; L714-W717 HydrophobicContact CB-CG 4.14Å; L714-W717 HydrophobicContact CD1-CB 4.15Å; L714-W717 HydrophobicContact CD1-CD2 4.18Å; L714-W717 HydrophobicContact CD1-CG 3.76Å; W717-E719 HydrophobicContact CZ3-CB 4.42Å; W717-W724 HydrophobicContact CB-CB 4.17Å; W717-W724 HydrophobicContact CB-CD2 3.78Å; W717-W724 HydrophobicContact CB-CE3 4.36Å; W717-W724 HydrophobicContact CB-CG 3.65Å; W717-W724 HydrophobicContact CE3-CZ2 4.38Å; W717-M742 HydrophobicContact CE3-CE 4.26Å; W717-M742 HydrophobicContact CE3-SD 3.93Å; W717-M742 HydrophobicContact CH2-CE 3.46Å; W717-M742 VanDerWaalsContact CH2-CE 3.46Å; W717-M742 HydrophobicContact CH2-SD 4.18Å; W717-M742 HydrophobicContact CZ2-CE 3.94Å; W717-M742 HydrophobicContact CZ3-CE 3.63Å; W717-M742 HydrophobicContact CZ3-SD 3.7Å
718T73.8Confident85.2Confident98 Ų9862.4 Ų62.460%0.60135%0.348SS*.  trans-139.1132.5173.3-48.30000107G720 S721 W724T718-G720 PolarHBondContact O-N 3.13Å; T718-S721 VanDerWaalsContact O-CB 3.29Å; T718-S721 WeakPolarHBondContact O-CB 3.43Å; T718-S721 PolarHBondContact O-N 3.41Å; T718-W724 PolarHBondContact O-NE1 3.42Å
719E64.4Low84.8Confident175 Ų17564.6 Ų64.682%0.81836%0.357SS*.THydrogen-bonded Turntrans-59.6129.3174.8-166.2166.7-152.800109.9W717 S721W717-E719 HydrophobicContact CZ3-CB 4.42Å; E719-S721 VanDerWaalsContact C-N 3.34Å; E719-S721 PolarHBondContact O-N 2.95Å
720G66.1Low84.5Confident84 Ų8465 Ų6587%0.86636%0.361SS*.THydrogen-bonded Turntrans82.5-6.8-172.500000116.3T718T718-G720 PolarHBondContact O-N 3.13Å
721S78.6Confident84.2Confident45 Ų4566.6 Ų66.632%0.31537%0.374SS..  trans-69.7138.6168.1-175.90000110.8T718 E719 W723 A737T718-S721 VanDerWaalsContact O-CB 3.29Å; T718-S721 WeakPolarHBondContact O-CB 3.43Å; T718-S721 PolarHBondContact O-N 3.41Å; E719-S721 VanDerWaalsContact C-N 3.34Å; E719-S721 PolarHBondContact O-N 2.95Å; S721-W723 VanDerWaalsContact C-N 3.27Å; S721-W723 PolarHBondContact OG-N 2.88Å; S721-W723 PolarHBondContact OG-O 3.03Å; S721-A737 VanDerWaalsContact O-CB 3.3Å; S721-A737 WeakPolarHBondContact O-CB 3.36Å
722S84.1Confident84.2Confident86 Ų8666.5 Ų66.560%0.60137%0.374SS*.SBendtrans-76.2-13.8171.752.30000113.6P736 A737S722-P736 CarbonylContact O-C 3.58Å; S722-P736 VanDerWaalsContact O-CA 3.27Å; S722-P736 WeakPolarHBondContact O-CA 3.26Å; S722-A737 PolarHBondContact O-N 2.97Å
723W88.5Confident84.3Confident37 Ų3766.6 Ų66.614%0.1438%0.375CS..EExtended strand (participates in β ladder)trans-134.1131.1-175.5-78.695.4000111.6Y691 P695 L696 P697 P698 S721 W734 F735 P736Y691-W723 HydrophobicContact CE2-CH2 4.47Å; Y691-W723 WeakPolarHBondContact OH-CH2 3.43Å; P695-W723 HydrophobicContact CG-CZ2 4.29Å; P695-W723 VanDerWaalsContact O-CH2 3.28Å; P695-W723 WeakPolarHBondContact O-CH2 3.31Å; L696-W723 WeakPolarHBondContact O-CZ2 3.22Å; P697-W723 VanDerWaalsContact CA-CH2 3.5Å; P697-W723 HydrophobicContact CB-CE3 4.18Å; P697-W723 HydrophobicContact CB-CH2 4.07Å; P697-W723 HydrophobicContact CB-CZ3 3.81Å; P697-W723 HydrophobicContact CG-CE3 4.49Å; P697-W723 HydrophobicContact CG-CH2 3.94Å; P697-W723 HydrophobicContact CG-CZ3 3.7Å; P698-W723 HydrophobicContact CG-CB 4.43Å; P698-W723 HydrophobicContact CG-CD2 4.4Å; P698-W723 HydrophobicContact CG-CG 4.03Å; S721-W723 VanDerWaalsContact C-N 3.27Å; S721-W723 PolarHBondContact OG-N 2.88Å; S721-W723 PolarHBondContact OG-O 3.03Å; W723-W734 HydrophobicContact CB-CE3 4.16Å; W723-W734 HydrophobicContact CB-CZ3 4.43Å; W723-W734 HydrophobicContact CE3-CB 4.07Å; W723-W734 HydrophobicContact CZ3-CB 4.25Å; W723-F735 VanDerWaalsContact CZ3-C 3.48Å; W723-P736 HydrophobicContact CE3-CG 4.44Å; W723-P736 HydrophobicContact CH2-CG 3.78Å; W723-P736 HydrophobicContact CZ2-CG 4.07Å; W723-P736 HydrophobicContact CZ3-CG 3.98Å
724W90.9Very high84.5Confident22 Ų2265.9 Ų65.98%0.08337%0.369CS..EExtended strand (participates in β ladder)trans-123.2158.2174.5-62.2-19000110.3L714 K716 W717 T718 W734 F735 A737 V740 M742L714-W724 HydrophobicContact CD1-CE3 4.25Å; L714-W724 HydrophobicContact CD1-CZ3 4.3Å; L714-W724 HydrophobicContact CD2-CE3 4.04Å; K716-W724 WeakPolarHBondContact O-CA 3.47Å; W717-W724 HydrophobicContact CB-CB 4.17Å; W717-W724 HydrophobicContact CB-CD2 3.78Å; W717-W724 HydrophobicContact CB-CE3 4.36Å; W717-W724 HydrophobicContact CB-CG 3.65Å; W717-W724 HydrophobicContact CE3-CZ2 4.38Å; T718-W724 PolarHBondContact O-NE1 3.42Å; W724-W734 VanDerWaalsContact O-CA 3.32Å; W724-W734 WeakPolarHBondContact O-CA 3.35Å; W724-F735 HydrophobicContact CB-CE2 3.96Å; W724-F735 HydrophobicContact CB-CZ 3.86Å; W724-F735 HydrophobicContact CE3-CE2 4.13Å; W724-F735 PolarHBondContact N-O 3.36Å; W724-F735 PolarHBondContact O-N 3.49Å; W724-A737 HydrophobicContact CD2-CB 3.66Å; W724-A737 VanDerWaalsContact CE2-CB 3.5Å; W724-A737 HydrophobicContact CE3-CB 4.17Å; W724-A737 HydrophobicContact CG-CB 4.03Å; W724-A737 HydrophobicContact CH2-CB 4.35Å; W724-A737 HydrophobicContact CZ2-CB 3.87Å; W724-A737 HydrophobicContact CZ3-CB 4.49Å; W724-V740 HydrophobicContact CE3-CG2 3.69Å; W724-V740 HydrophobicContact CZ3-CG2 3.47Å; W724-V740 VanDerWaalsContact CZ3-CG2 3.47Å; W724-M742 HydrophobicContact CH2-CG 3.77Å; W724-M742 HydrophobicContact CH2-SD 3.65Å; W724-M742 HydrophobicContact CZ2-SD 4.33Å; W724-M742 HydrophobicContact CZ3-CG 3.84Å; W724-M742 HydrophobicContact CZ3-SD 4.24Å
725Q91Very high84.7Confident17 Ų1765.2 Ų65.28%0.07937%0.366CS..EExtended strand (participates in β ladder)trans-114.2136.8176.1-172.1176.33.700109.4I715 K716 E732 G733 W734I715-Q725 PolarHBondContact N-O 3.27Å; K716-Q725 HydrophobicContact CB-CB 4.01Å; K716-Q725 HydrophobicContact CG-CB 4.43Å; K716-Q725 PolarHBondContact N-O 3.25Å; K716-Q725 PolarHBondContact O-N 3.06Å; Q725-E732 PolarHBondContact NE2-OE1 2.9Å; Q725-G733 WeakPolarHBondContact CA-O 3.34Å; Q725-W734 HydrophobicContact CB-CD2 3.8Å; Q725-W734 HydrophobicContact CB-CE3 4.01Å; Q725-W734 HydrophobicContact CB-CG 4.34Å; Q725-W734 HydrophobicContact CB-CH2 4.17Å; Q725-W734 HydrophobicContact CB-CZ2 3.95Å; Q725-W734 HydrophobicContact CB-CZ3 4.19Å; Q725-W734 HydrophobicContact CG-CD2 4.25Å; Q725-W734 HydrophobicContact CG-CG 4.42Å; Q725-W734 HydrophobicContact CG-CZ2 4.34Å; Q725-W734 VanDerWaalsContact OE1-CZ2 3.25Å
726G90.9Very high85Confident0 Ų062 Ų620%035%0.35CS..EExtended strand (participates in β ladder)trans-160.6-174.6-178.700000114.1E713 E732 G733E713-G726 CarbonylContact O-C 3.45Å; E713-G726 WeakPolarHBondContact O-CA 3.32Å; G726-E732 WeakPolarHBondContact O-CA 3.43Å; G726-G733 PolarHBondContact N-O 3.47Å; G726-G733 PolarHBondContact O-N 3.41Å
727Y91.4Very high85.3Confident87 Ų8757 Ų5734%0.34133%0.331SS..EExtended strand (participates in β ladder)trans-121.3133.7179.2-168.5-109.6000110.5V712 E713 G730 S731 E732V712-Y727 WeakPolarHBondContact CA-O 3.31Å; E713-Y727 PolarHBondContact N-O 3.25Å; E713-Y727 PolarHBondContact O-N 3.03Å; Y727-G730 VanDerWaalsContact CE2-C 3.47Å; Y727-G730 WeakPolarHBondContact CE2-O 3.46Å; Y727-G730 WeakPolarHBondContact OH-CA 3.42Å; Y727-G730 PolarHBondContact OH-O 3.25Å; Y727-S731 WeakPolarHBondContact CA-O 3.19Å; Y727-S731 VanDerWaalsContact CD2-O 3.25Å; Y727-S731 WeakPolarHBondContact CD2-O 3.49Å; Y727-E732 HydrophobicContact CD2-CB 4.23Å
728C90.9Very high85.5Confident6 Ų658.3 Ų58.34%0.04134%0.343CS..EExtended strand (participates in β ladder)trans-153.2140.5173.8-1640000109.6L704 L706 V712 G730 S731L704-C728 HydrophobicContact CD1-CB 4.15Å; L704-C728 HydrophobicContact CD2-CB 3.91Å; L704-C728 HydrophobicContact CG-CB 4.31Å; L706-C728 HydrophobicContact CD2-CB 4.09Å; V712-C728 HydrophobicContact CG2-CB 4.37Å; C728-G730 VanDerWaalsContact C-N 3.34Å; C728-G730 PolarHBondContact O-N 3.12Å; C728-S731 PolarHBondContact N-O 3.35Å; C728-S731 WeakPolarHBondContact O-CA 3.29Å; C728-S731 WeakPolarHBondContact O-CB 3.47Å; C728-S731 PolarHBondContact O-N 2.96Å; C728-S731 VanDerWaalsContact O-O 3.14Å
729D83.4Confident86.2Confident147 Ų14755.2 Ų55.279%0.78632%0.322SS*.THydrogen-bonded Turntrans4154.5176-73.114.2000114.7S731D729-S731 PolarHBondContact O-N 2.84Å
730G80.2Confident87.4Confident57 Ų5747.6 Ų47.659%0.58829%0.288SS*.THydrogen-bonded Turntrans78.9-9.9178.100000115.4Y727 C728Y727-G730 VanDerWaalsContact CE2-C 3.47Å; Y727-G730 WeakPolarHBondContact CE2-O 3.46Å; Y727-G730 WeakPolarHBondContact OH-CA 3.42Å; Y727-G730 PolarHBondContact OH-O 3.25Å; C728-G730 VanDerWaalsContact C-N 3.34Å; C728-G730 PolarHBondContact O-N 3.12Å
731S84.3Confident88.4Confident66 Ų6648.4 Ų48.446%0.46227%0.269SS..EExtended strand (participates in β ladder)trans-109.7137.3-169.6-57.50000112.3L704 Y727 C728 D729L704-S731 VanDerWaalsContact CD1-O 3.29Å; L704-S731 WeakPolarHBondContact CD1-O 3.16Å; Y727-S731 WeakPolarHBondContact CA-O 3.19Å; Y727-S731 VanDerWaalsContact CD2-O 3.25Å; Y727-S731 WeakPolarHBondContact CD2-O 3.49Å; C728-S731 PolarHBondContact N-O 3.35Å; C728-S731 WeakPolarHBondContact O-CA 3.29Å; C728-S731 WeakPolarHBondContact O-CB 3.47Å; C728-S731 PolarHBondContact O-N 2.96Å; C728-S731 VanDerWaalsContact O-O 3.14Å; D729-S731 PolarHBondContact O-N 2.84Å
732E91.4Very high88.6Confident109 Ų10949 Ų4951%0.50927%0.267SS..EExtended strand (participates in β ladder)trans-101.4138.7167.7-179.9177.9167.900110I715 Q725 G726 Y727I715-E732 HydrophobicContact CD1-CG 3.72Å; Q725-E732 PolarHBondContact NE2-OE1 2.9Å; G726-E732 WeakPolarHBondContact O-CA 3.43Å; Y727-E732 HydrophobicContact CD2-CB 4.23Å
733G91.9Very high88.1Confident3 Ų347.3 Ų47.33%0.03125%0.253CS..EExtended strand (participates in β ladder)trans179.6-168.5172.100000114.2H702 Q725 G726H702-G733 WeakPolarHBondContact O-CA 3.36Å; Q725-G733 WeakPolarHBondContact CA-O 3.34Å; G726-G733 PolarHBondContact N-O 3.47Å; G726-G733 PolarHBondContact O-N 3.41Å
734W93Very high86.2Confident58 Ų5851.5 Ų51.522%0.2228%0.278CS..EExtended strand (participates in β ladder)trans-107.6144.2-177.7-68.978.1000112.2P697 H702 P703 L704 W723 W724 Q725P697-W734 HydrophobicContact CB-CB 3.78Å; P697-W734 HydrophobicContact CB-CG 4.4Å; P697-W734 HydrophobicContact CG-CB 3.86Å; H702-W734 PolarHBondContact O-N 2.88Å; P703-W734 CarbonylContact C-O 3.48Å; P703-W734 WeakPolarHBondContact CA-O 3.27Å; L704-W734 PolarHBondContact N-O 3.38Å; W723-W734 HydrophobicContact CB-CE3 4.16Å; W723-W734 HydrophobicContact CB-CZ3 4.43Å; W723-W734 HydrophobicContact CE3-CB 4.07Å; W723-W734 HydrophobicContact CZ3-CB 4.25Å; W724-W734 VanDerWaalsContact O-CA 3.32Å; W724-W734 WeakPolarHBondContact O-CA 3.35Å; Q725-W734 HydrophobicContact CB-CD2 3.8Å; Q725-W734 HydrophobicContact CB-CE3 4.01Å; Q725-W734 HydrophobicContact CB-CG 4.34Å; Q725-W734 HydrophobicContact CB-CH2 4.17Å; Q725-W734 HydrophobicContact CB-CZ2 3.95Å; Q725-W734 HydrophobicContact CB-CZ3 4.19Å; Q725-W734 HydrophobicContact CG-CD2 4.25Å; Q725-W734 HydrophobicContact CG-CG 4.42Å; Q725-W734 HydrophobicContact CG-CZ2 4.34Å; Q725-W734 VanDerWaalsContact OE1-CZ2 3.25Å
735F93Very high83.6Confident0 Ų057.7 Ų57.70%031%0.313CS..EExtended strand (participates in β ladder)trans-145156.3177.556.5-87.3000110.5Y691 L704 L706 V712 L714 W723 W724 V740Y691-F735 HydrophobicContact CD1-CB 3.74Å; Y691-F735 HydrophobicContact CE1-CB 3.93Å; L704-F735 HydrophobicContact CB-CD1 4.21Å; L704-F735 HydrophobicContact CD2-CD1 3.86Å; L704-F735 HydrophobicContact CD2-CE1 4.12Å; L706-F735 HydrophobicContact CD1-CB 3.88Å; L706-F735 HydrophobicContact CD1-CD1 4.38Å; L706-F735 HydrophobicContact CD1-CD2 3.93Å; L706-F735 HydrophobicContact CD1-CG 3.78Å; V712-F735 HydrophobicContact CG1-CE1 3.65Å; V712-F735 HydrophobicContact CG1-CZ 3.84Å; L714-F735 HydrophobicContact CD2-CZ 3.69Å; W723-F735 VanDerWaalsContact CZ3-C 3.48Å; W724-F735 HydrophobicContact CB-CE2 3.96Å; W724-F735 HydrophobicContact CB-CZ 3.86Å; W724-F735 HydrophobicContact CE3-CE2 4.13Å; W724-F735 PolarHBondContact N-O 3.36Å; W724-F735 PolarHBondContact O-N 3.49Å; F735-V740 HydrophobicContact CD2-CG1 3.94Å; F735-V740 HydrophobicContact CD2-CG2 4.46Å; F735-V740 HydrophobicContact CE2-CB 4.38Å; F735-V740 HydrophobicContact CE2-CG1 3.66Å; F735-V740 HydrophobicContact CE2-CG2 3.73Å; F735-V740 HydrophobicContact CZ-CG1 4.48Å
736P90.8Very high80.6Confident9 Ų963.7 Ų63.76%0.05835%0.345CS..EExtended strand (participates in β ladder)trans-75.6130.4-179.7-9.625.5000110.5Y691 S722 W723 N738 H739Y691-P736 HydrophobicContact CD2-CG 4.07Å; Y691-P736 HydrophobicContact CE2-CG 3.91Å; S722-P736 CarbonylContact O-C 3.58Å; S722-P736 VanDerWaalsContact O-CA 3.27Å; S722-P736 WeakPolarHBondContact O-CA 3.26Å; W723-P736 HydrophobicContact CE3-CG 4.44Å; W723-P736 HydrophobicContact CH2-CG 3.78Å; W723-P736 HydrophobicContact CZ2-CG 4.07Å; W723-P736 HydrophobicContact CZ3-CG 3.98Å; P736-N738 PolarHBondContact O-N 2.59Å; P736-H739 WeakPolarHBondContact O-CB 3.47Å; P736-H739 PolarHBondContact O-N 2.97Å; P736-H739 PolarHBondContact O-ND1 2.94Å
737A87.8Confident77.8Confident13 Ų1372.4 Ų72.411%0.10738%0.383CS..G310 helixtrans-56.1-28.8-171.600000114S721 S722 W724 H739 V740S721-A737 VanDerWaalsContact O-CB 3.3Å; S721-A737 WeakPolarHBondContact O-CB 3.36Å; S722-A737 PolarHBondContact O-N 2.97Å; W724-A737 HydrophobicContact CD2-CB 3.66Å; W724-A737 VanDerWaalsContact CE2-CB 3.5Å; W724-A737 HydrophobicContact CE3-CB 4.17Å; W724-A737 HydrophobicContact CG-CB 4.03Å; W724-A737 HydrophobicContact CH2-CB 4.35Å; W724-A737 HydrophobicContact CZ2-CB 3.87Å; W724-A737 HydrophobicContact CZ3-CB 4.49Å; A737-H739 PolarHBondContact O-N 2.78Å; A737-V740 PolarHBondContact O-N 2.99Å
738N89.8Confident74.9Confident105 Ų10573.4 Ų73.456%0.56140%0.398SS*.G310 helixtrans-787.717970-12000115.3K689 P736K689-N738 PolarHBondContact NZ-O 2.89Å; P736-N738 PolarHBondContact O-N 2.59Å
739H88.3Confident71.8Confident33 Ų3378.5 Ų78.515%0.15343%0.425CS..G310 helixtrans-97.2-17.4170.8-69.269.6000112.9R688 K689 A690 P736 A737R688-H739 PolarHBondContact N-O 3.25Å; K689-H739 HydrophobicContact CB-CB 4.29Å; K689-H739 PolarHBondContact N-O 3.04Å; K689-H739 VanDerWaalsContact N-O 3.09Å; A690-H739 PolarHBondContact O-CD2 2.65Å; P736-H739 WeakPolarHBondContact O-CB 3.47Å; P736-H739 PolarHBondContact O-N 2.97Å; P736-H739 PolarHBondContact O-ND1 2.94Å; A737-H739 PolarHBondContact O-N 2.78Å
740V89.2Confident69.3Low16 Ų1681.2 Ų81.210%0.09743%0.43CS..EExtended strand (participates in β ladder)trans-115.5162.4179.3-56.80000112A685 I686 A687 L706 V712 W724 F735 A737A685-V740 HydrophobicContact CB-CB 3.88Å; A685-V740 HydrophobicContact CB-CG2 3.84Å; I686-V740 CarbonylContact O-C 3.48Å; I686-V740 VanDerWaalsContact O-CA 3.3Å; I686-V740 WeakPolarHBondContact O-CA 3.37Å; A687-V740 HydrophobicContact CB-CG1 4.4Å; L706-V740 HydrophobicContact CD1-CG1 3.81Å; V712-V740 HydrophobicContact CG2-CG1 4.3Å; W724-V740 HydrophobicContact CE3-CG2 3.69Å; W724-V740 HydrophobicContact CZ3-CG2 3.47Å; W724-V740 VanDerWaalsContact CZ3-CG2 3.47Å; F735-V740 HydrophobicContact CD2-CG1 3.94Å; F735-V740 HydrophobicContact CD2-CG2 4.46Å; F735-V740 HydrophobicContact CE2-CB 4.38Å; F735-V740 HydrophobicContact CE2-CG1 3.66Å; F735-V740 HydrophobicContact CE2-CG2 3.73Å; F735-V740 HydrophobicContact CZ-CG1 4.48Å; A737-V740 PolarHBondContact O-N 2.99Å
741E88Confident66.9Low100 Ų10084.5 Ų84.547%0.46744%0.441SS..EExtended strand (participates in β ladder)trans-122124.4169.6-177.9179.3-148.200108.6A685 I686 R688A685-E741 CarbonylContact C-O 3.52Å; A685-E741 VanDerWaalsContact CA-O 3.29Å; A685-E741 WeakPolarHBondContact CA-O 3.12Å; A685-E741 WeakPolarHBondContact CB-O 3.32Å; I686-E741 PolarHBondContact N-O 2.95Å; I686-E741 PolarHBondContact O-N 3Å; R688-E741 HydrophobicContact CG-CB 3.71Å; R688-E741 IonicContact CZ-OE2 2.68Å; R688-E741 IonicContact NE-OE2 3.65Å; R688-E741 PolarHBondContact NE-OE2 3.17Å; R688-E741 IonicContact NH2-OE2 2.77Å; R688-E741 PolarHBondContact NH2-OE2 2.57Å
742M81.1Confident64.1Low58 Ų5889.2 Ų89.229%0.28646%0.461SS..EExtended strand (participates in β ladder)trans-67.2132.1177.7-77.9172.757.200111.2T683 L714 W717 W724 L744T683-M742 HydrophobicContact CG2-CE 4.15Å; L714-M742 HydrophobicContact CD1-CG 4.3Å; W717-M742 HydrophobicContact CE3-CE 4.26Å; W717-M742 HydrophobicContact CE3-SD 3.93Å; W717-M742 HydrophobicContact CH2-CE 3.46Å; W717-M742 VanDerWaalsContact CH2-CE 3.46Å; W717-M742 HydrophobicContact CH2-SD 4.18Å; W717-M742 HydrophobicContact CZ2-CE 3.94Å; W717-M742 HydrophobicContact CZ3-CE 3.63Å; W717-M742 HydrophobicContact CZ3-SD 3.7Å; W724-M742 HydrophobicContact CH2-CG 3.77Å; W724-M742 HydrophobicContact CH2-SD 3.65Å; W724-M742 HydrophobicContact CZ2-SD 4.33Å; W724-M742 HydrophobicContact CZ3-CG 3.84Å; W724-M742 HydrophobicContact CZ3-SD 4.24Å; M742-L744 HydrophobicContact CE-CD1 4Å; M742-L744 PolarHBondContact O-N 3.03Å
743V74.3Confident61.2Low51 Ų5189.2 Ų89.231%0.30947%0.473SS..  trans-97.986.3176.5-173.30000109.3F684 I686 N745F684-V743 PolarHBondContact O-N 3.09Å; I686-V743 HydrophobicContact CB-CG2 4.41Å; I686-V743 HydrophobicContact CD1-CG2 3.68Å; I686-V743 HydrophobicContact CG1-CG2 3.76Å; V743-N745 PolarHBondContact O-N 3.42Å
744L48.8Very low58.4Low125 Ų12594.8 Ų94.865%0.65451%0.507SS*.  trans-61.9131.5160.8-100.273000108.5M742 N746M742-L744 HydrophobicContact CE-CD1 4Å; M742-L744 PolarHBondContact O-N 3.03Å; L744-N746 PolarHBondContact O-N 3.06Å
745N35.4Very low55.3Low152 Ų152103.2 Ų103.281%0.81354%0.538SS*.SBendtrans-80.763.7-166.7-161.612.2000113.3V743V743-N745 PolarHBondContact O-N 3.42Å
746N28.2Very low52.1Low142 Ų142111 Ų11176%0.75958%0.579SS**  trans-115.696.6175.7-85.8-21000110.1L744L744-N746 PolarHBondContact O-N 3.06Å
747K33.3Very low49.2Very low183 Ų183116.2 Ų116.280%0.79662%0.616SS**  trans-134.992.6170.2-75.6-171.2178.9172.90112.7
748T29.9Very low46.4Very low109 Ų109123.4 Ų123.467%0.66965%0.647SS**  trans-77.5155.815247.40000110.3F273F273-T748 HydrophobicContact CE2-CG2 3.84Å; F273-T748 HydrophobicContact CZ-CG2 3.92Å
749N26.6Very low43.4Very low113 Ų113126.4 Ų126.460%0.60466%0.657SS**  trans-63.6153.9-173.2-65.2-42.1000114.9
750K30Very low40.6Very low204 Ų204130.8 Ų130.889%0.88769%0.686SS**  trans-134147.4139.2-90-169.8176.9177.20110.7
751P29.5Very low37.5Very low125 Ų125135.6 Ų135.681%0.81272%0.721SS**  trans-92.9160-16236.5-37.4000114.7
752N26.5Very low34.7Very low165 Ų165136 Ų13688%0.88274%0.735SS**  trans-96.1140.7173.1-91.5-27.6000112.7
753S30.5Very low32.3Very low110 Ų110138.4 Ų138.477%0.76976%0.757SS**  trans-164137.5160.6-79.50000109.2
754T31.7Very low30.2Very low120 Ų120140.8 Ų140.874%0.73678%0.776SS**  cis-159.9148.5-7.57.50000110.6
755R28.8Very low29.3Very low234 Ų234139.3 Ų139.388%0.88378%0.776SS**  trans44.5113.4150.5-65.7-176.3176.3-167.6-1.6120.8
756L25.8Very low29Very low165 Ų165137.5 Ų137.586%0.86478%0.775SS**  -0.8132.6128-66.7160000118.2
757S29.9Very low29.1Very low117 Ų117136.7 Ų136.782%0.81877%0.771SS**  -163.1149.6110.464.50000113.1
758H29.8Very low29Very low164 Ų164137.4 Ų137.476%0.75977%0.769SS**  trans-69.6178.1158-58.5-98.4000109.7
759Q25.3Very low29.2Very low168 Ų168138.3 Ų138.379%0.78577%0.774SS**  cis-164.5178.913.5-152.9169.125.800111.3
760V29.1Very low29.9Very low125 Ų125138 Ų13876%0.75878%0.778SS**  trans72.9126163.2-168.60000118
761S25Very low30Very low118 Ų118133.8 Ų133.883%0.82577%0.769SS**  trans-113.6140.6161.5470000110.2
762S29.9Very low30.1Very low109 Ų109137.4 Ų137.476%0.76277%0.773SS**  trans-156.8156.3161.654.10000112.5
763S30.5Very low30.3Very low108 Ų108136 Ų13676%0.75577%0.765SS**  trans-38.1162.2173.345.30000118.5
764S29.9Very low30.4Very low100 Ų100136.7 Ų136.770%0.69976%0.76SS**  cis-178.2175.1-16.856.80000109.6
765S29.4Very low30.5Very low94 Ų94137.1 Ų137.166%0.65776%0.758SS**  trans42.697.2148.957.10000119.1
766S28.9Very low30.7Very low115 Ų115132.3 Ų132.380%0.80475%0.75SS**  86.6121.274.4670000116.6
767D29.9Very low31Very low125 Ų125128.8 Ų128.867%0.66874%0.739SS**  trans-166.3159.2136.9-138.8-8.6000114.9
768R32.6Very low31.1Very low198 Ų198128.3 Ų128.375%0.74774%0.736SS**  trans50.198.8158.1-65.4159.5-146.6-114.1-10.9120.2
769T34.1Very low31.2Very low127 Ų127126.2 Ų126.278%0.77973%0.734SS**  58155.551.583.20000116
770P40.8Very low31.5Very low107 Ų107127 Ų12770%0.69574%0.738SS**  cis-142.2-167.5-20.125.40.8000116
771V32.3Very low31.4Very low115 Ų115130.4 Ų130.470%0.69774%0.743SS**  trans81.1130.1157.2-1590000115.6
772F31Very low32.1Very low202 Ų202129.1 Ų129.189%0.88673%0.731SS**  cis-113.2154.428.3-104.5-88.6000117.8
773N31.8Very low32Very low134 Ų134131.9 Ų131.972%0.71773%0.73SS**  trans-85.2155.6170.6-89.7-29000111.4
774N32Very low32Very low125 Ų125135.2 Ų135.267%0.66873%0.731SS**  cis93.2142.427.2-169.425.7000114.7
775N34Very low31.7Very low130 Ų130135.8 Ų135.870%0.69574%0.735SS**  trans143.8113.8166-80.3-25.9000109.7
776N32.6Very low32.3Very low133 Ų133136.6 Ų136.671%0.71174%0.738SS**  86.7139.272.5-80.3-34.6000113
777S33Very low32.2Very low90 Ų90137.1 Ų137.163%0.62973%0.732SS**  cis-168.9173-248.60000112
778S32.1Very low31.9Very low108 Ų108138.6 Ų138.676%0.75574%0.735SS**  trans68.7147.1150.654.40000118.8
779V31Very low31.8Very low119 Ų119135.7 Ų135.772%0.72174%0.739SS**  cis-159.4167.7-1.6111.90000112.6
780Q30.8Very low31.4Very low186 Ų186135 Ų13587%0.86974%0.74SS**  trans83.5150.4161.1-94.2154.315.500122.1
781K27.1Very low31.3Very low196 Ų196135.3 Ų135.385%0.85274%0.742SS**  trans-147.1-175.7-166.8-104.6-171.4-179.3-177.50105.1
782P40.3Very low31.1Very low91 Ų91134 Ų13459%0.59174%0.738SS**  cis-135.2-176.9-38.132.2-11.4000112.5
783F27.9Very low31.1Very low166 Ų166131.8 Ų131.873%0.72874%0.735SS**  151.5148.2114.5-104.4-54.1000118
784F30.1Very low30.9Very low178 Ų178132.8 Ų132.878%0.78174%0.74SS**  trans73.4168.6153.5-72.2-57000121.8
785S25Very low31.1Very low112 Ų112132 Ų13278%0.78374%0.742SS**  trans-143.5-142.2-150.8-56.30000112.9
786P40.6Very low30.8Very low112 Ų112133 Ų13373%0.72775%0.746SS**  -121.5169.3-118.639.1-21.8000116.5
787N26.6Very low30.6Very low126 Ų126131.6 Ų131.667%0.67475%0.746SS**  178.5143.3123.9-105.122.7000116.2
788E25.2Very low30.3Very low156 Ų156133 Ų13373%0.72975%0.75SS**  trans58.4159137.1-65.7-179.6161.700125.7
789T28.8Very low30.3Very low137 Ų137135.5 Ų135.584%0.8475%0.754SS**  trans90.2149.1162.970.70000120.7
790S27.4Very low30.4Very low113 Ų113134.1 Ų134.179%0.7975%0.754SS**  trans-133.9172.9173.3-63.10000106.3
791P37.4Very low30.3Very low112 Ų112133 Ų13373%0.72776%0.755SS**  cis-141.7-173.414.340.9-20.1000116.6
792S29.2Very low30.7Very low89 Ų89133.7 Ų133.762%0.62276%0.758SS**  trans57.9112.1150.662.90000121
793N30.5Very low30.3Very low155 Ų155135.2 Ų135.283%0.82977%0.765SS**  -18016795.1-94.7-59.1000114.6
794L27.3Very low30.5Very low154 Ų154135.7 Ų135.781%0.80678%0.775SS**  trans-75.1171.5176-80.4153.4000112.1
795P37Very low30.6Very low110 Ų110133.3 Ų133.371%0.71477%0.77SS**  cis-149.517128.445.2-25.2000120.8
796L27.1Very low31Very low150 Ų150134 Ų13479%0.78577%0.765SS**  trans64.2126.9144.2-105.469.7000124.5
797C27.6Very low30.8Very low104 Ų104133.6 Ų133.670%0.70377%0.765SS**  106.3101.3123.5-96.50000123.6
798T27.5Very low31.1Very low118 Ų118134.6 Ų134.672%0.72477%0.769SS**  99140.4126.9-6.10000122
799I31Very low31.5Very low162 Ų162132.3 Ų132.383%0.83177%0.77SS**  trans73.2133.9164-51.7178.6000114.3
800A32.9Very low32.3Very low89 Ų89131.4 Ų131.474%0.73677%0.767SS**  cis-132.815710.900000114.1
801N30Very low32.5Very low163 Ų163133.7 Ų133.787%0.87277%0.768SS**  trans-102.5156.3158-95.5-24.1000110.1
802K34.7Very low32.3Very low211 Ų211135.1 Ų135.192%0.91778%0.775SS**  trans-140.9113158.3-117.3-177-178.5-178.80111.4
803T32.6Very low32.4Very low123 Ų123134.2 Ų134.276%0.75578%0.779SS**  trans-90.2167.9168.643.70000110.9
804L32.2Very low32.6Very low176 Ų176133.7 Ų133.792%0.92178%0.777SS**  trans-128.2139.9162.2-132.1164.1000106.8
805N32.7Very low32.9Very low127 Ų127131.4 Ų131.468%0.67977%0.765SS**  trans-154.9174.2-153.3-149.619.6000113.5
806N33.6Very low32.7Very low127 Ų127135.3 Ų135.368%0.67977%0.767SS**  trans82.9147.9173-49.1-19.9000115.1
807S35.2Very low33Very low104 Ų104134.3 Ų134.373%0.72776%0.763SS**  cis-135137.620.1-670000111.4
808L33.7Very low33.3Very low147 Ų147134.9 Ų134.977%0.7776%0.758SS**  58136.982-61.7162.8000115.1
809S32.4Very low33.5Very low107 Ų107136.2 Ų136.275%0.74876%0.76SS**  cis-171.2171.4-20.843.90000109.8
810P45.5Very low33.9Very low118 Ų118133.8 Ų133.877%0.76675%0.754SS**  trans-117.7179.8-157.443.5-36.1000117.7
811I31.5Very low33.8Very low161 Ų161135.1 Ų135.183%0.82676%0.759SS**  trans-170.9131.8153.3-105.6155.3000116.9
812V34.1Very low33.8Very low143 Ų143132.7 Ų132.787%0.86775%0.754SS**  trans48.4143.6146.5-175.40000124.5
813G30.5Very low34.1Very low69 Ų69127.9 Ų127.971%0.71175%0.745SS**  trans-179.6-0.1164.100000128.5
814N34.8Very low33.7Very low145 Ų145127.7 Ų127.778%0.77575%0.747SS**  trans35.3126.8165.8-86.223.2000126.9
815N33.7Very low33.6Very low105 Ų105124.5 Ų124.556%0.56174%0.739SS**  95.7142.5122.9-78.614.3000127.6
816Y33.2Very low33.4Very low193 Ų193123.4 Ų123.476%0.75774%0.742SS**  trans67.4133.7163.1-55-53.2000117.1
817N34.4Very low33.1Very low129 Ų129124.6 Ų124.669%0.6975%0.747SS**  cis-162.3-179.48.3-108-10.5000109.3
818N33Very low32.8Very low115 Ų115125.1 Ų125.162%0.61575%0.746SS**  cis-160.7136.56.2-129.86.6000113.9
819I32.9Very low32.5Very low147 Ų147123.3 Ų123.375%0.75475%0.746SS**  trans64145.5131-68.2175.3000123.9
820P38.7Very low32.4Very low110 Ų110126 Ų12671%0.71475%0.751SS**  trans-140.2-166-157.243.9-22.6000118.6
821S31.3Very low31.5Very low118 Ų118127.1 Ų127.183%0.82575%0.749SS**  trans112.7162.3145.477.80000122.3
822S28.3Very low31.6Very low111 Ų111125.1 Ų125.178%0.77675%0.746SS**  trans-98.8-159.1-156.4-22.80000115.1
823P41.7Very low31.5Very low111 Ų111124.4 Ų124.472%0.72174%0.742SS**  cis-135.5177.4-42.637.8-20.1000116
824C25.2Very low31.5Very low119 Ų119127.3 Ų127.380%0.80474%0.741SS**  trans73.9135.4149.3-73.40000125
825S29Very low31.4Very low109 Ų109127.2 Ų127.276%0.76274%0.738SS**  trans83.8117.4142.9-60.10000124.3
826S28.8Very low31.2Very low104 Ų104128.3 Ų128.373%0.72774%0.744SS**  trans86.6112.8135-600000124.6
827L27.3Very low31.1Very low151 Ų151125.2 Ų125.279%0.79174%0.74SS**  80.6117.8129.9-69.1168.6000124.7
828T28.3Very low30.9Very low116 Ų116125.5 Ų125.571%0.71274%0.742SS**  trans75.5118.5135.846.50000125.5
829S28.3Very low30.9Very low108 Ų108127.4 Ų127.476%0.75575%0.751SS**  trans75.7156.5139.880.10000118.7
830L29.8Very low30.7Very low165 Ų165126.8 Ų126.886%0.86475%0.749SS**  cis-137-177.815.7-94.9174.7000113.7
831I27.5Very low30.3Very low141 Ų141129.6 Ų129.672%0.72376%0.758SS**  trans-106.5159.3-177.1-21.6177000112
832P33.7Very low30.2Very low118 Ų118129.3 Ų129.377%0.76676%0.755SS**  -137.2146.199.216.16.6000113.6
833V32.2Very low30Very low128 Ų128135.2 Ų135.278%0.77676%0.762SS**  70.6129.462.7174.70000113.3
834N30.6Very low29.5Very low131 Ų131135.2 Ų135.270%0.70176%0.763SS**  cis-172.3162.4-18-17927.3000109.7
835M30.9Very low29.8Very low142 Ų142135.5 Ų135.570%0.776%0.763SS**  trans130.3118.7151-74-70.7-178.700117.1
836N30.6Very low29.8Very low129 Ų129138.9 Ų138.969%0.6977%0.772SS**  trans38.7143.7139-61.2-2.3000121.5
837N31.8Very low29.7Very low127 Ų127142.4 Ų142.468%0.67978%0.779SS**  cis-159.6153.917.4-133.5-5.1000113.3
838N28.9Very low29.7Very low135 Ų135144 Ų14472%0.72278%0.779SS**  trans28.7125.6157.1-68.7-18.4000122.4
839I32.9Very low29.8Very low156 Ų156149.3 Ų149.380%0.879%0.787SS**  -173.5132.2104.6-93.8159000112.5
840N28.8Very low29.8Very low134 Ų134153.5 Ų153.572%0.71779%0.786SS**  trans14.6116.2158.6-50.8-10.8000121.2
841N30.9Very low29.8Very low169 Ų169153 Ų15390%0.90478%0.783SS**  -176.3133.397.4-95.8-23.5000111.9
842S28.6Very low29.9Very low111 Ų111155.8 Ų155.878%0.77679%0.79SS**  trans-138.1119.5-175.858.50000113.2
843Y23.9Very low29.6Very low235 Ų235160.3 Ų160.392%0.92280%0.798SS**  trans-92.5139.1158.5-78.6-87.2000109.6
844P30.9Very low29.4Very low112 Ų112165.7 Ų165.773%0.72780%0.804SS**  -129.1162.2130517.1000112.7
845P32.6Very low29.1Very low124 Ų124164.7 Ų164.781%0.80581%0.807SS**  trans-77.9162.3-175.332.2-36.1000114.3
846L28.6Very low28.9Very low181 Ų181166.5 Ų166.595%0.94882%0.819SS**  trans-74.2139.6-174.4-68.1169.4000113.8
847M27.9Very low28.7Very low178 Ų178165.8 Ų165.888%0.87782%0.824SS**  trans-105.9161171.8-102-79.4-173.300111.6
848F26.2Very low28.4Very low184 Ų184164.3 Ų164.381%0.80783%0.829SS**  trans-58143.5179.2-82.6-106.2000113.3
849R30.3Very low28.4Very low228 Ų228165 Ų16586%0.8683%0.832SS**  trans-113.974.9176.5-153.3175.9-163.7178.45.2112.3L851R849-L851 PolarHBondContact O-N 2.97Å
850R28.9Very low28.1Very low195 Ų195166.1 Ų166.174%0.73683%0.834SS**  trans-65110.3166-90.5-177164.2174.4-7.4109.5E176 K852E176-R850 IonicContact OE1-CZ 3.95Å; E176-R850 IonicContact OE1-NH1 2.75Å; E176-R850 PolarHBondContact OE1-NH1 2.89Å; E176-R850 IonicContact OE1-NH2 3.52Å; E176-R850 PolarHBondContact OE1-NH2 3.37Å; E176-R850 IonicContact OE2-CZ 3.65Å; E176-R850 IonicContact OE2-NH1 3.57Å; E176-R850 PolarHBondContact OE2-NH1 2.89Å; E176-R850 IonicContact OE2-NH2 2.91Å; R850-K852 PolarHBondContact O-N 2.8Å
851L29.4Very low27.9Very low155 Ų155167.1 Ų167.181%0.81284%0.838SS**  trans-79.893174.3-83167.9000110.9R849 K853R849-L851 PolarHBondContact O-N 2.97Å; L851-K853 PolarHBondContact O-N 3Å
852K29.1Very low27.8Very low200 Ų200165 Ų16587%0.8783%0.833SS**  trans-65.3116.8161.7-83-170.7172-174.80108.9R850 R854R850-K852 PolarHBondContact O-N 2.8Å; K852-R854 PolarHBondContact O-N 2.94Å
853K28.2Very low27.6Very low213 Ų213168.1 Ų168.193%0.92684%0.836SS**  trans-62132.6158.1-77.2-175175.9-178.50107.8L851L851-K853 PolarHBondContact O-N 3Å
854R28.1Very low27.7Very low241 Ų241164.9 Ų164.991%0.90983%0.833SS**  trans-123.4137.7165.6-144.4176.5-168.9178.72.4107.8K852K852-R854 PolarHBondContact O-N 2.94Å
855S23.4Very low27.4Very low110 Ų110164.9 Ų164.977%0.76984%0.836SS**  trans-70.2139.6177.137.80000110.9
856L27.7Very low27.2Very low180 Ų180168.2 Ų168.294%0.94284%0.841SS**  trans-129.2133.9151-79.3174000106.9
857S25.4Very low27Very low113 Ų113170.2 Ų170.279%0.7984%0.836SS**  trans-110.8146.7-171.251.30000111
858A26Very low27Very low96 Ų96169.7 Ų169.779%0.79384%0.835SS**  trans59.9111.3166.300000117.1
859L28Very low26.9Very low151 Ų151167 Ų16779%0.79183%0.829SS**  -160.1123.8106.7-100.2163.8000110.1
860E26.9Very low26.7Very low178 Ų178164.5 Ų164.583%0.83283%0.831SS**  trans42.8136.8151.8-67.2167.7167.500122.5
861I24.5Very low26.4Very low155 Ų155160.8 Ų160.880%0.79583%0.83SS**  trans-114.2140.8172-56.8165000107.4
862P29.7Very low26.5Very low125 Ų125159.6 Ų159.681%0.81283%0.832SS**  -124.4159.2126.5-1.122000113.4
863E24.3Very low26.4Very low177 Ų177155 Ų15583%0.82783%0.825SS**  trans-77.6149.7179.9-53.2164.2108.400112.3
864L26Very low26.1Very low167 Ų167151.6 Ų151.687%0.87482%0.821SS**  -164.4154.8110.6-135.670.6000112.9
865S23.8Very low26.1Very low111 Ų111147.9 Ų147.978%0.77682%0.819SS**  trans-82.3144.7176.4-58.80000113.3
866Q29.4Very low26Very low194 Ų194146.9 Ų146.991%0.90781%0.812SS**  trans-148126.9147.1-113.6168.149.700110.4
867R22.9Very low26.1Very low224 Ų224144.9 Ų144.985%0.84581%0.807SS**  trans-87.1152.6163.1-68.5-179.2178.2176.6-1.4108.7
868I28.3Very low26Very low166 Ų166144.8 Ų144.885%0.85180%0.802SS**  trans-159.3144.3134.2-103151.6000108
869D23.7Very low26.2Very low128 Ų128149.8 Ų149.868%0.68481%0.809SS**  trans-87.5162.3-166.7-46.9-94.4000113.4
870L26.6Very low26.1Very low175 Ų175149 Ų14992%0.91681%0.81SS**  trans-140.797.7152.1-99.7179.3000111
871V22.9Very low26.2Very low117 Ų117145.4 Ų145.471%0.70981%0.811SS**  trans-104.5125.8163177.20000107.8S873V871-S873 PolarHBondContact O-N 3.31Å
872P30.8Very low26.2Very low130 Ų130144.4 Ų144.484%0.84481%0.813SS**  trans-75.8109.3169.7-14.130.2000110.3
873S27.5Very low26Very low105 Ų105145.2 Ų145.273%0.73482%0.815SS**  trans-79.6150.3176.956.70000112.8V871V871-S873 PolarHBondContact O-N 3.31Å
874V22.7Very low26.1Very low140 Ų140140.4 Ų140.485%0.84881%0.813SS**  trans-59.4144171.2-178.30000111
875L27Very low26Very low163 Ų163137.1 Ų137.185%0.85381%0.81SS**  trans-131.9142.8157.1-144.1108.8000110.6
876S22.6Very low26.1Very low89 Ų89138.4 Ų138.462%0.62281%0.813SS**  trans-95.4151.3-175.9178.90000111.9
877T28.2Very low25.8Very low138 Ų138135.9 Ų135.985%0.84781%0.811SS**  trans-142.7133.8151.5-66.60000108.6
878T25.2Very low25.9Very low111 Ų111131.4 Ų131.468%0.68181%0.809SS**  trans-86.3145.5-170.645.60000113
879Q29.4Very low25.7Very low202 Ų202128.7 Ų128.794%0.94480%0.804SS**  trans-147.2141144.4-117.2174.180.900109.4
880T25.1Very low25.8Very low133 Ų133132.6 Ų132.682%0.81681%0.809SS**  trans-120.2125.9-16449.50000112.2
881A28.8Very low25.7Very low103 Ų103134.5 Ų134.585%0.85181%0.811SS**  trans-149.8122.6158.800000110.6
882T25Very low25.8Very low134 Ų134134.7 Ų134.782%0.82280%0.804SS**  trans-73.6163.7165.552.10000109.6
883V26.8Very low25.6Very low142 Ų142135.3 Ų135.386%0.86180%0.8SS**  cis-154.3153.933.6178.30000108.8
884G26.3Very low25.5Very low76 Ų76138.1 Ų138.178%0.78480%0.799SS**  trans145.4129156.200000114.4
885A22.9Very low25.7Very low98 Ų98137.5 Ų137.581%0.8180%0.798SS**  trans-128.5134.2-179.100000112
886T26.4Very low25.6Very low138 Ų138134 Ų13485%0.84778%0.784SS**  trans-152.4139.1144.5-130000110.6
887V22.9Very low25.7Very low142 Ų142133 Ų13386%0.86179%0.788SS**  trans-90.1135.7160.7172.80000107.8
888T24.9Very low25.6Very low130 Ų130132.7 Ų132.780%0.79878%0.78SS**  trans-157.9143.2157.4-4.10000110.9
889S23.1Very low25.6Very low108 Ų108131.4 Ų131.476%0.75578%0.78SS**  trans-79.2157.6179.347.80000112.7
890R26.9Very low25.4Very low210 Ų210128.5 Ų128.579%0.79277%0.769SS**  trans-164.392.2146.4-114.5175.4179.9128.49.5112E892R890-E892 HydrophobicContact CG-CG 4.25Å; R890-E892 IonicContact CZ-OE1 2.77Å; R890-E892 IonicContact NE-OE1 3.57Å; R890-E892 PolarHBondContact NE-OE1 2.83Å; R890-E892 IonicContact NH2-OE1 3.48Å; R890-E892 PolarHBondContact NH2-OE1 2.86Å
891F23.7Very low25.7Very low215 Ų215126 Ų12694%0.94375%0.75SS**  trans-100.5130.6145.6-81.8-89000106.1
892E26.4Very low25.9Very low122 Ų122128.3 Ų128.357%0.5774%0.743SS**  trans-135.4141.3176.6-77.1-178.1-164.400110.1R890R890-E892 HydrophobicContact CG-CG 4.25Å; R890-E892 IonicContact CZ-OE1 2.77Å; R890-E892 IonicContact NE-OE1 3.57Å; R890-E892 PolarHBondContact NE-OE1 2.83Å; R890-E892 IonicContact NH2-OE1 3.48Å; R890-E892 PolarHBondContact NH2-OE1 2.86Å
893N26.4Very low26.8Very low143 Ų143123.4 Ų123.477%0.76571%0.714SS**  trans74.486161.6-49.6-41.3000119.1
894F24Very low27.5Very low163 Ų163120.1 Ų120.172%0.71569%0.69SS**  trans-111.8143.4135.3-89.4-89.3000108.4
895P26.7Very low28.2Very low128 Ų128124 Ų12483%0.83168%0.682SS**  trans-81.5127.6-176.131.3-33.6000112.6
896T25.5Very low30.2Very low89 Ų89125.6 Ų125.655%0.54667%0.671SS.*  trans-80.8124.3175.812.70000112.2S971 C972T896-S971 WeakPolarHBondContact CG2-O 3.48Å; T896-C972 HydrophobicContact CG2-CB 3.96Å
897G25.2Very low32.8Very low68 Ų68119.3 Ų119.370%0.70163%0.631SS**  trans-106129.3159.900000109.2A899G897-A899 PolarHBondContact O-N 2.97Å
898L25.4Very low35.5Very low132 Ų132116.4 Ų116.469%0.69162%0.618SS**  trans-66.8131.8-174.8-66.6171.1000111.2
899A25.5Very low38.2Very low83 Ų83114.5 Ų114.569%0.68661%0.606SS**  trans-121.2123.8-179.500000111.1G897G897-A899 PolarHBondContact O-N 2.97Å
900M24.8Very low41.2Very low142 Ų142112.7 Ų112.770%0.758%0.583SS**  trans-63.6152.6154.3-82.3-158.3168.900109.9H902M900-H902 VanDerWaalsContact C-N 3.34Å; M900-H902 PolarHBondContact O-N 2.93Å
901D31.4Very low44.1Very low81 Ų81106.8 Ų106.843%0.43357%0.572SS.*SBendtrans-76.477.2-162-153.6-33.7000113.9S903 R964D901-S903 PolarHBondContact O-N 3.18Å; D901-S903 VanDerWaalsContact OD1-CB 3.24Å; D901-S903 WeakPolarHBondContact OD1-CB 3.32Å; D901-S903 PolarHBondContact OD1-N 3.19Å; D901-S903 PolarHBondContact OD1-OG 3.5Å; D901-R964 IonicContact OD2-CZ 3.63Å; D901-R964 IonicContact OD2-NH1 3.93Å; D901-R964 PolarHBondContact OD2-NH1 2.75Å; D901-R964 IonicContact OD2-NH2 3.36Å; D901-R964 PolarHBondContact OD2-NH2 2.98Å
902H34Very low47.3Very low151 Ų15197.3 Ų97.370%0.69953%0.53SS*.  trans-81.45174.5-67.2-49.4000113.8M900 H904 Y905M900-H902 VanDerWaalsContact C-N 3.34Å; M900-H902 PolarHBondContact O-N 2.93Å; H902-H904 PolarHBondContact O-N 2.97Å; H902-H904 VanDerWaalsContact O-N 3.15Å; H902-Y905 PolarHBondContact O-N 3.05Å
903S44.1Very low50.6Low31 Ų3192.8 Ų92.822%0.21751%0.508CS..Hα-helixtrans-54.3-39.7-172.963.80000113.2D901 Y905 F906 L907 Y948D901-S903 PolarHBondContact O-N 3.18Å; D901-S903 VanDerWaalsContact OD1-CB 3.24Å; D901-S903 WeakPolarHBondContact OD1-CB 3.32Å; D901-S903 PolarHBondContact OD1-N 3.19Å; D901-S903 PolarHBondContact OD1-OG 3.5Å; S903-Y905 PolarHBondContact O-N 2.99Å; S903-F906 PolarHBondContact O-N 3.49Å; S903-L907 WeakPolarHBondContact O-CG 3.48Å; S903-L907 PolarHBondContact O-N 2.9Å; S903-Y948 PolarHBondContact OG-OH 3.45Å
904H40.7Very low53.6Low73 Ų7388.2 Ų88.234%0.33849%0.485SS..Hα-helixtrans-63.9-35-170.7-143.7-108000114.2H902 Y913 L938 Y948H902-H904 PolarHBondContact O-N 2.97Å; H902-H904 VanDerWaalsContact O-N 3.15Å; H904-Y913 PolarHBondContact CD2-OH 3.33Å; H904-Y913 PolarHBondContact NE2-OH 3.48Å; H904-L938 VanDerWaalsContact NE2-CD2 3.29Å; H904-L938 WeakPolarHBondContact NE2-CD2 3.41Å; H904-Y948 PolarHBondContact CD2-OH 3.1Å
905Y41.9Very low56.8Low158 Ų15881.4 Ų81.462%0.6246%0.46SS*.Hα-helixtrans-77-39.8179.2-86.9-91.3000111.9H902 S903 S908H902-Y905 PolarHBondContact O-N 3.05Å; S903-Y905 PolarHBondContact O-N 2.99Å; Y905-S908 WeakPolarHBondContact O-CB 3.3Å; Y905-S908 PolarHBondContact O-N 3.33Å; Y905-S908 PolarHBondContact O-OG 3.46Å
906F64.3Low59.8Low131 Ų13180.9 Ų80.958%0.57545%0.447SS*.Hα-helixtrans-69.2-38.5-177.8-163.6-114.4000112.2S903 S908 T909 Y910S903-F906 PolarHBondContact O-N 3.49Å; F906-S908 PolarHBondContact O-N 3Å; F906-T909 PolarHBondContact O-N 3.03Å; F906-T909 VanDerWaalsContact O-N 3.15Å; F906-T909 PolarHBondContact O-OG1 3.3Å; F906-Y910 AromaticContact CD1-CE2 3.97Å; F906-Y910 HydrophobicContact CD1-CE2 3.97Å; F906-Y910 AromaticContact CE1-CE2 3.88Å; F906-Y910 HydrophobicContact CE1-CE2 3.88Å
907L80.8Confident63Low5 Ų577.2 Ų77.23%0.02642%0.424CS..Hα-helixtrans-59.3-28.4176.8-72.4171.9000113.5S903 T909 Y910 W912 Y913 Y948 I986 P987S903-L907 WeakPolarHBondContact O-CG 3.48Å; S903-L907 PolarHBondContact O-N 2.9Å; L907-T909 PolarHBondContact O-N 3.15Å; L907-Y910 PolarHBondContact O-N 2.73Å; L907-W912 HydrophobicContact CD2-CH2 3.58Å; L907-W912 HydrophobicContact CD2-CZ3 3.87Å; L907-Y913 HydrophobicContact CB-CD1 3.75Å; L907-Y913 HydrophobicContact CB-CD2 4.25Å; L907-Y913 HydrophobicContact CB-CE1 3.92Å; L907-Y913 HydrophobicContact CB-CE2 4.43Å; L907-Y913 HydrophobicContact CB-CG 3.91Å; L907-Y913 HydrophobicContact CD1-CE2 4.37Å; L907-Y913 VanDerWaalsContact O-CB 3.29Å; L907-Y913 WeakPolarHBondContact O-CB 3.49Å; L907-Y913 WeakPolarHBondContact O-CD1 3.49Å; L907-Y948 HydrophobicContact CD1-CD1 4.2Å; L907-Y948 HydrophobicContact CD1-CE1 3.33Å; L907-Y948 WeakPolarHBondContact CD1-OH 3.45Å; L907-I986 HydrophobicContact CD1-CD1 4.35Å; L907-I986 HydrophobicContact CD2-CB 4.27Å; L907-I986 HydrophobicContact CD2-CG2 4.25Å; L907-P987 HydrophobicContact CD2-CG 4.13Å
908S80.2Confident66.1Low82 Ų8276.8 Ų76.857%0.57341%0.405SS*.THydrogen-bonded Turntrans-61.1-13.7176.975.40000114.8Y905 F906Y905-S908 WeakPolarHBondContact O-CB 3.3Å; Y905-S908 PolarHBondContact O-N 3.33Å; Y905-S908 PolarHBondContact O-OG 3.46Å; F906-S908 PolarHBondContact O-N 3Å
909T80.6Confident69.2Low89 Ų8978.5 Ų78.555%0.54640%0.403SS..THydrogen-bonded Turntrans-84.7-14.217565.20000113.8F906 L907F906-T909 PolarHBondContact O-N 3.03Å; F906-T909 VanDerWaalsContact O-N 3.15Å; F906-T909 PolarHBondContact O-OG1 3.3Å; L907-T909 PolarHBondContact O-N 3.15Å
910Y87.2Confident72.4Confident70 Ų7080.1 Ų80.128%0.27540%0.399SS..SBendtrans-92.3128.5-175.7-71.7-97.1000111.3F906 L907 W912 Y913 P987F906-Y910 AromaticContact CD1-CE2 3.97Å; F906-Y910 HydrophobicContact CD1-CE2 3.97Å; F906-Y910 AromaticContact CE1-CE2 3.88Å; F906-Y910 HydrophobicContact CE1-CE2 3.88Å; L907-Y910 PolarHBondContact O-N 2.73Å; Y910-W912 AromaticContact CD1-CE2 3.66Å; Y910-W912 HydrophobicContact CD1-CH2 4.32Å; Y910-W912 AromaticContact CD1-CZ2 3.41Å; Y910-W912 HydrophobicContact CD1-CZ2 3.41Å; Y910-W912 VanDerWaalsContact CD1-CZ2 3.41Å; Y910-W912 AromaticContact CD1-NE1 3.7Å; Y910-W912 HydrophobicContact CD2-CZ2 4.43Å; Y910-W912 HydrophobicContact CE1-CZ2 4.13Å; Y910-W912 AromaticContact CG-CE2 3.9Å; Y910-W912 HydrophobicContact CG-CH2 4.1Å; Y910-W912 AromaticContact CG-CZ2 3.59Å; Y910-W912 HydrophobicContact CG-CZ2 3.59Å; Y910-W912 PolarHBondContact O-N 3.12Å; Y910-W912 VanDerWaalsContact O-N 3.1Å; Y910-Y913 PolarHBondContact O-N 3.13Å; Y910-P987 HydrophobicContact CE1-CB 4.04Å; Y910-P987 HydrophobicContact CE1-CG 4.22Å; Y910-P987 HydrophobicContact CE2-CG 3.98Å
911P86.5Confident75.7Confident86 Ų8676.7 Ų76.756%0.55838%0.381SS*.THydrogen-bonded Turntrans-69-13.3-17328-36.2000114.4
912W92.2Very high78.6Confident17 Ų1772.9 Ų72.96%0.06436%0.361CS..THydrogen-bonded Turntrans-86.7-10.5172.345-108.8000113.5L907 Y910 F934 L935 V936 I986 P987 I990 P1012L907-W912 HydrophobicContact CD2-CH2 3.58Å; L907-W912 HydrophobicContact CD2-CZ3 3.87Å; Y910-W912 AromaticContact CD1-CE2 3.66Å; Y910-W912 HydrophobicContact CD1-CH2 4.32Å; Y910-W912 AromaticContact CD1-CZ2 3.41Å; Y910-W912 HydrophobicContact CD1-CZ2 3.41Å; Y910-W912 VanDerWaalsContact CD1-CZ2 3.41Å; Y910-W912 AromaticContact CD1-NE1 3.7Å; Y910-W912 HydrophobicContact CD2-CZ2 4.43Å; Y910-W912 HydrophobicContact CE1-CZ2 4.13Å; Y910-W912 AromaticContact CG-CE2 3.9Å; Y910-W912 HydrophobicContact CG-CH2 4.1Å; Y910-W912 AromaticContact CG-CZ2 3.59Å; Y910-W912 HydrophobicContact CG-CZ2 3.59Å; Y910-W912 PolarHBondContact O-N 3.12Å; Y910-W912 VanDerWaalsContact O-N 3.1Å; W912-F934 HydrophobicContact CB-CD2 4.16Å; W912-F934 HydrophobicContact CB-CE2 3.5Å; W912-F934 VanDerWaalsContact CB-CE2 3.5Å; W912-F934 HydrophobicContact CB-CZ 4.03Å; W912-F934 AromaticContact CD1-CE2 3.96Å; W912-F934 AromaticContact CD1-CZ 3.99Å; W912-F934 HydrophobicContact CD2-CE2 4.47Å; W912-F934 AromaticContact CG-CE2 3.73Å; W912-F934 HydrophobicContact CG-CE2 3.73Å; W912-F934 HydrophobicContact CG-CZ 4.18Å; W912-L935 CarbonylContact O-C 3.54Å; W912-L935 WeakPolarHBondContact O-CA 3.19Å; W912-V936 HydrophobicContact CD2-CG2 4.4Å; W912-V936 HydrophobicContact CE3-CB 3.68Å; W912-V936 HydrophobicContact CE3-CG2 3.5Å; W912-V936 VanDerWaalsContact CE3-CG2 3.5Å; W912-V936 HydrophobicContact CZ3-CB 3.81Å; W912-V936 HydrophobicContact CZ3-CG1 4.35Å; W912-V936 HydrophobicContact CZ3-CG2 3.69Å; W912-V936 PolarHBondContact O-N 3.46Å; W912-I986 HydrophobicContact CH2-CG2 4.07Å; W912-I986 HydrophobicContact CZ3-CG2 4.22Å; W912-P987 HydrophobicContact CH2-CG 4.22Å; W912-P987 HydrophobicContact CZ2-CB 4.34Å; W912-P987 HydrophobicContact CZ2-CG 4.31Å; W912-I990 HydrophobicContact CD2-CG1 4.46Å; W912-I990 HydrophobicContact CD2-CG2 4.34Å; W912-I990 HydrophobicContact CE3-CG1 4.47Å; W912-I990 HydrophobicContact CG-CG2 4.45Å; W912-I990 HydrophobicContact CH2-CG1 4.07Å; W912-I990 HydrophobicContact CZ2-CB 4.16Å; W912-I990 HydrophobicContact CZ2-CG1 4.04Å; W912-I990 HydrophobicContact CZ2-CG2 4.33Å; W912-I990 HydrophobicContact CZ3-CG1 4.29Å; W912-P1012 HydrophobicContact CB-CB 3.99Å
913Y94.3Very high81.5Confident27 Ų2767.8 Ų67.811%0.10634%0.34CS..EExtended strand (participates in β ladder)trans-88.9121.8179.1-173.1-117.5000110.7H904 L907 Y910 V936 Y948H904-Y913 PolarHBondContact CD2-OH 3.33Å; H904-Y913 PolarHBondContact NE2-OH 3.48Å; L907-Y913 HydrophobicContact CB-CD1 3.75Å; L907-Y913 HydrophobicContact CB-CD2 4.25Å; L907-Y913 HydrophobicContact CB-CE1 3.92Å; L907-Y913 HydrophobicContact CB-CE2 4.43Å; L907-Y913 HydrophobicContact CB-CG 3.91Å; L907-Y913 HydrophobicContact CD1-CE2 4.37Å; L907-Y913 VanDerWaalsContact O-CB 3.29Å; L907-Y913 WeakPolarHBondContact O-CB 3.49Å; L907-Y913 WeakPolarHBondContact O-CD1 3.49Å; Y910-Y913 PolarHBondContact O-N 3.13Å; Y913-V936 WeakPolarHBondContact CA-O 3.36Å; Y913-V936 HydrophobicContact CD2-CB 4.25Å; Y913-V936 HydrophobicContact CD2-CG1 4.21Å; Y913-V936 VanDerWaalsContact CD2-O 3.3Å; Y913-V936 WeakPolarHBondContact CD2-O 3.39Å; Y913-Y948 HydrophobicContact CE2-CD1 4.15Å; Y913-Y948 AromaticContact CE2-CE1 3.91Å; Y913-Y948 HydrophobicContact CE2-CE1 3.91Å
914V90.5Very high83.8Confident47 Ų4771.3 Ų71.329%0.28536%0.357SS..EExtended strand (participates in β ladder)trans-105.75-176.2-610000113.9M917 L935 V936 R937V914-M917 HydrophobicContact CB-CE 3.79Å; V914-M917 HydrophobicContact CG1-CE 4.42Å; V914-M917 HydrophobicContact CG2-CB 4.17Å; V914-M917 HydrophobicContact CG2-CE 3.53Å; V914-M917 HydrophobicContact CG2-SD 3.85Å; V914-L935 HydrophobicContact CG1-CB 4.04Å; V914-L935 HydrophobicContact CG1-CD2 4.29Å; V914-L935 HydrophobicContact CG2-CB 4.45Å; V914-L935 HydrophobicContact CG2-CD1 3.94Å; V914-L935 HydrophobicContact CG2-CD2 4.45Å; V914-V936 PolarHBondContact N-O 3.18Å; V914-R937 HydrophobicContact CG2-CB 3.74Å
915G90.7Very high86.2Confident19 Ų1970.4 Ų70.420%0.19635%0.354CS..EExtended strand (participates in β ladder)trans72.8-150.1-175.100000112.6M917 R937 L938G915-M917 PolarHBondContact O-N 3.41Å; G915-R937 CarbonylContact O-C 3.55Å; G915-R937 WeakPolarHBondContact O-CA 3.16Å; G915-L938 PolarHBondContact O-N 2.86Å
916E90.7Very high88.7Confident117 Ų11762.9 Ų62.955%0.54733%0.325SS..EExtended strand (participates in β ladder)trans-66120.7175.2-72.7174.2-148.100111.6L938 K940E916-L938 WeakPolarHBondContact CA-O 3.19Å; E916-L938 HydrophobicContact CG-CB 4.12Å; E916-L938 HydrophobicContact CG-CD2 3.84Å; E916-K940 HydrophobicContact CB-CG 4.07Å; E916-K940 WeakPolarHBondContact O-CE 3.34Å
917M91Very high89.9Confident13 Ų1359.7 Ų59.76%0.06432%0.318CS..  trans-152.4137.1176.9-173.2-177.8-72.600110.5V914 G915 E921 A922 L925 L935 R937 L938V914-M917 HydrophobicContact CB-CE 3.79Å; V914-M917 HydrophobicContact CG1-CE 4.42Å; V914-M917 HydrophobicContact CG2-CB 4.17Å; V914-M917 HydrophobicContact CG2-CE 3.53Å; V914-M917 HydrophobicContact CG2-SD 3.85Å; G915-M917 PolarHBondContact O-N 3.41Å; M917-E921 VanDerWaalsContact CA-OE2 3.24Å; M917-E921 WeakPolarHBondContact CA-OE2 3.42Å; M917-E921 HydrophobicContact CG-CB 3.39Å; M917-E921 HydrophobicContact CG-CG 4.31Å; M917-E921 WeakPolarHBondContact CG-OE2 3.42Å; M917-E921 HydrophobicContact SD-CB 4.11Å; M917-A922 HydrophobicContact SD-CB 3.99Å; M917-L925 HydrophobicContact CE-CD1 3.41Å; M917-L925 VanDerWaalsContact CE-CD1 3.41Å; M917-L925 HydrophobicContact SD-CD1 3.81Å; M917-L935 HydrophobicContact SD-CD1 4.45Å; M917-L935 HydrophobicContact SD-CD2 4.33Å; M917-R937 HydrophobicContact CB-CB 3.76Å; M917-R937 HydrophobicContact CB-CG 4.42Å; M917-R937 WeakPolarHBondContact O-CD 3.44Å; M917-R937 PolarHBondContact O-NH1 3.08Å; M917-L938 PolarHBondContact N-O 2.91Å
918D90.9Very high90.2Very high58 Ų5865 Ų6531%0.3135%0.347SS..  trans-79.1-178.917574.556.8000112.1L920 E921 A922 R937 K940D918-L920 WeakPolarHBondContact OD1-CA 3.41Å; D918-L920 WeakPolarHBondContact OD1-CB 3.47Å; D918-L920 PolarHBondContact OD1-N 3.27Å; D918-E921 PolarHBondContact N-OE2 2.87Å; D918-E921 PolarHBondContact OD1-N 2.91Å; D918-A922 WeakPolarHBondContact O-CB 3.45Å; D918-A922 PolarHBondContact O-N 3.49Å; D918-R937 PolarHBondContact O-NE 3.08Å; D918-K940 HydrophobicContact CB-CB 4.2Å; D918-K940 HydrophobicContact CB-CD 4.32Å
919R91.5Very high90.7Very high169 Ų16961.6 Ų61.664%0.63832%0.323SS*.Hα-helixtrans-72.6-38.2-178.9-173.9-178.9175.4174.8-0.1112.2A922 V923 H959R919-A922 PolarHBondContact O-N 2.85Å; R919-V923 WeakPolarHBondContact O-CG2 3.25Å; R919-V923 PolarHBondContact O-N 3.41Å; R919-H959 WeakPolarHBondContact CG-NE2 3.36Å; R919-H959 PolarHBondContact NE-CD2 2.93Å; R919-H959 PolarHBondContact NE-NE2 2.81Å
920L92.5Very high91.1Very high117 Ų11760.8 Ų60.861%0.61331%0.314SS*.Hα-helixtrans-73.7-41.9-175.9-168.869.4000111D918 A922 V923 N924D918-L920 WeakPolarHBondContact OD1-CA 3.41Å; D918-L920 WeakPolarHBondContact OD1-CB 3.47Å; D918-L920 PolarHBondContact OD1-N 3.27Å; L920-A922 VanDerWaalsContact C-N 3.28Å; L920-A922 PolarHBondContact O-N 3.34Å; L920-V923 PolarHBondContact O-N 2.94Å; L920-N924 WeakPolarHBondContact O-CB 3.39Å; L920-N924 PolarHBondContact O-N 2.74Å; L920-N924 PolarHBondContact O-ND2 3.05Å
921E93.2Very high91.3Very high70 Ų7060.9 Ų60.933%0.32732%0.32SS..Hα-helixtrans-52.9-47.3168-74.5176.8129.400111M917 D918 N924 L925 K940M917-E921 VanDerWaalsContact CA-OE2 3.24Å; M917-E921 WeakPolarHBondContact CA-OE2 3.42Å; M917-E921 HydrophobicContact CG-CB 3.39Å; M917-E921 HydrophobicContact CG-CG 4.31Å; M917-E921 WeakPolarHBondContact CG-OE2 3.42Å; M917-E921 HydrophobicContact SD-CB 4.11Å; D918-E921 PolarHBondContact N-OE2 2.87Å; D918-E921 PolarHBondContact OD1-N 2.91Å; E921-N924 PolarHBondContact O-N 3.04Å; E921-L925 WeakPolarHBondContact O-CG 3.28Å; E921-L925 PolarHBondContact O-N 3.26Å; E921-L925 VanDerWaalsContact O-N 3.08Å; E921-K940 IonicContact OE1-NZ 2.73Å; E921-K940 PolarHBondContact OE1-NZ 2.82Å; E921-K940 IonicContact OE2-NZ 2.69Å; E921-K940 PolarHBondContact OE2-NZ 2.95Å
922A93.8Very high91.6Very high0 Ų056.8 Ų56.80%029%0.293CS..Hα-helixtrans-66.6-39.4179.300000113.3M917 D918 R919 L920 L926 L935M917-A922 HydrophobicContact SD-CB 3.99Å; D918-A922 WeakPolarHBondContact O-CB 3.45Å; D918-A922 PolarHBondContact O-N 3.49Å; R919-A922 PolarHBondContact O-N 2.85Å; L920-A922 VanDerWaalsContact C-N 3.28Å; L920-A922 PolarHBondContact O-N 3.34Å; A922-L926 VanDerWaalsContact O-CB 3.29Å; A922-L926 WeakPolarHBondContact O-CB 3.46Å; A922-L926 VanDerWaalsContact O-CG 3.29Å; A922-L926 WeakPolarHBondContact O-CG 3.38Å; A922-L926 PolarHBondContact O-N 2.84Å; A922-L926 VanDerWaalsContact O-N 3.09Å; A922-L935 HydrophobicContact CB-CD1 4.36Å
923V95Very high91.7Very high44 Ų4456 Ų5627%0.26729%0.29SS..Hα-helixtrans-60.8-48172.4169.90000110.4R919 L920 L925 L926 S927 P957 H959R919-V923 WeakPolarHBondContact O-CG2 3.25Å; R919-V923 PolarHBondContact O-N 3.41Å; L920-V923 PolarHBondContact O-N 2.94Å; V923-L925 VanDerWaalsContact C-N 3.35Å; V923-L925 PolarHBondContact O-N 3.19Å; V923-L926 PolarHBondContact O-N 2.8Å; V923-S927 VanDerWaalsContact O-CB 3.28Å; V923-S927 WeakPolarHBondContact O-CB 3.35Å; V923-S927 PolarHBondContact O-N 3.18Å; V923-P957 HydrophobicContact CG2-CB 4.33Å; V923-H959 VanDerWaalsContact CG2-NE2 3.31Å; V923-H959 WeakPolarHBondContact CG2-NE2 3.36Å
924N92.3Very high91.8Very high106 Ų10654.9 Ų54.957%0.56729%0.286SS*.Hα-helixtrans-61.9-41.4-176.1-69.5-16.3000111.9L920 E921 S927L920-N924 WeakPolarHBondContact O-CB 3.39Å; L920-N924 PolarHBondContact O-N 2.74Å; L920-N924 PolarHBondContact O-ND2 3.05Å; E921-N924 PolarHBondContact O-N 3.04Å; N924-S927 PolarHBondContact O-OG 3.16Å
925L91Very high92.1Very high54 Ų5452.7 Ų52.728%0.28327%0.272SS..Hα-helixtrans-69.2-39176.1-65.3175.1000113.2M917 E921 V923 C929 Y1013M917-L925 HydrophobicContact CE-CD1 3.41Å; M917-L925 VanDerWaalsContact CE-CD1 3.41Å; M917-L925 HydrophobicContact SD-CD1 3.81Å; E921-L925 WeakPolarHBondContact O-CG 3.28Å; E921-L925 PolarHBondContact O-N 3.26Å; E921-L925 VanDerWaalsContact O-N 3.08Å; V923-L925 VanDerWaalsContact C-N 3.35Å; V923-L925 PolarHBondContact O-N 3.19Å; L925-C929 PolarHBondContact O-SG 3.16Å; L925-Y1013 HydrophobicContact CB-CE1 4.49Å; L925-Y1013 HydrophobicContact CB-CE2 4.16Å; L925-Y1013 HydrophobicContact CD1-CE1 4.31Å
926L93.5Very high92.3Very high0 Ų051.8 Ų51.80%026%0.263CS..Hα-helixtrans-87.2-16.1-174.6-67.6177.4000114.2A922 V923 N928 C929 T933 L935 V953 P957 Y1013A922-L926 VanDerWaalsContact O-CB 3.29Å; A922-L926 WeakPolarHBondContact O-CB 3.46Å; A922-L926 VanDerWaalsContact O-CG 3.29Å; A922-L926 WeakPolarHBondContact O-CG 3.38Å; A922-L926 PolarHBondContact O-N 2.84Å; A922-L926 VanDerWaalsContact O-N 3.09Å; V923-L926 PolarHBondContact O-N 2.8Å; L926-N928 VanDerWaalsContact C-N 3.29Å; L926-N928 PolarHBondContact O-N 3.04Å; L926-N928 VanDerWaalsContact O-N 3.16Å; L926-C929 WeakPolarHBondContact O-CB 3.38Å; L926-C929 PolarHBondContact O-N 2.92Å; L926-T933 HydrophobicContact CD2-CG2 4.12Å; L926-L935 HydrophobicContact CD1-CD2 4.27Å; L926-L935 HydrophobicContact CD1-CG 4.24Å; L926-L935 HydrophobicContact CD2-CD2 4.17Å; L926-L935 HydrophobicContact CG-CD2 4.14Å; L926-V953 HydrophobicContact CB-CG2 3.81Å; L926-V953 HydrophobicContact CD2-CG2 4.19Å; L926-V953 HydrophobicContact CG-CG2 4.41Å; L926-V953 WeakPolarHBondContact O-CG2 3.25Å; L926-P957 HydrophobicContact CB-CB 4.25Å; L926-P957 HydrophobicContact CB-CG 3.86Å; L926-Y1013 HydrophobicContact CD2-CD2 3.99Å; L926-Y1013 HydrophobicContact CD2-CG 4.41Å
927S89.2Confident92.5Very high63 Ų6346.8 Ų46.844%0.44124%0.239SC..THydrogen-bonded Turntrans-53.5-35.2-172.857.40000115.9V923 N924V923-S927 VanDerWaalsContact O-CB 3.28Å; V923-S927 WeakPolarHBondContact O-CB 3.35Å; V923-S927 PolarHBondContact O-N 3.18Å; N924-S927 PolarHBondContact O-OG 3.16Å
928N86.6Confident92.5Very high117 Ų11746.8 Ų46.863%0.62624%0.239SC*.THydrogen-bonded Turntrans-104.22.5178.8-65.8-27.8000113.3L926 N1065L926-N928 VanDerWaalsContact C-N 3.29Å; L926-N928 PolarHBondContact O-N 3.04Å; L926-N928 VanDerWaalsContact O-N 3.16Å; N928-N1065 WeakPolarHBondContact O-CB 3.35Å; N928-N1065 PolarHBondContact O-ND2 2.97Å
929C90.7Very high92.2Very high11 Ų1144.3 Ų44.37%0.07423%0.227CC..SBendtrans-78157.6179.9-650000111L925 L926 T933 V953 N1065L925-C929 PolarHBondContact O-SG 3.16Å; L926-C929 WeakPolarHBondContact O-CB 3.38Å; L926-C929 PolarHBondContact O-N 2.92Å; C929-T933 HydrophobicContact CB-CG2 3.81Å; C929-V953 HydrophobicContact CB-CG2 4.08Å; C929-N1065 PolarHBondContact SG-O 2.99Å
930I89.4Confident91.9Very high71 Ų7140.2 Ų40.236%0.36421%0.214SC..PPolyproline II helixtrans-76.5155.6176.562178000111.8T933 Y1011I930-T933 WeakPolarHBondContact CG1-OG1 3.35Å; I930-T933 WeakPolarHBondContact O-CB 3.41Å; I930-T933 PolarHBondContact O-N 2.85Å; I930-T933 PolarHBondContact O-OG1 3.3Å; I930-Y1011 HydrophobicContact CD1-CD2 3.68Å; I930-Y1011 HydrophobicContact CD1-CE2 3.39Å; I930-Y1011 HydrophobicContact CG1-CD2 3.79Å; I930-Y1011 HydrophobicContact CG1-CE2 3.87Å
931D92.6Very high91.1Very high72 Ų7236.8 Ų36.839%0.38520%0.2SC..THydrogen-bonded Turntrans-50.2140.1173.5-80.8-13.1000112.4T933 V953 Y954 G955 I1007D931-T933 VanDerWaalsContact C-N 3.25Å; D931-T933 PolarHBondContact O-N 2.97Å; D931-V953 WeakPolarHBondContact OD1-CG1 3.49Å; D931-Y954 VanDerWaalsContact OD1-CA 3.29Å; D931-Y954 WeakPolarHBondContact OD1-CA 3.28Å; D931-G955 PolarHBondContact OD1-N 3.39Å; D931-I1007 HydrophobicContact CB-CD1 3.65Å
932G92Very high90Very high0 Ų038 Ų380%022%0.221CC..THydrogen-bonded Turntrans78.6-0.4-173.200000114.5V953 I1007 L1010 Y1011G932-V953 PolarHBondContact N-O 3.08Å; G932-I1007 VanDerWaalsContact N-CD1 3.28Å; G932-L1010 PolarHBondContact O-N 3.05Å; G932-Y1011 PolarHBondContact O-N 2.78Å
933T94.2Very high89.1Confident0 Ų046 Ų460%026%0.258CS..EExtended strand (participates in β ladder)trans-72.7132.6169-52.30000110.4L926 C929 I930 D931 V952 V953 Y1011 Y1013L926-T933 HydrophobicContact CD2-CG2 4.12Å; C929-T933 HydrophobicContact CB-CG2 3.81Å; I930-T933 WeakPolarHBondContact CG1-OG1 3.35Å; I930-T933 WeakPolarHBondContact O-CB 3.41Å; I930-T933 PolarHBondContact O-N 2.85Å; I930-T933 PolarHBondContact O-OG1 3.3Å; D931-T933 VanDerWaalsContact C-N 3.25Å; D931-T933 PolarHBondContact O-N 2.97Å; T933-V952 CarbonylContact O-C 3.08Å; T933-V952 WeakPolarHBondContact O-CA 3.33Å; T933-V953 PolarHBondContact O-N 3.09Å; T933-Y1011 CarbonylContact C-O 3.59Å; T933-Y1011 VanDerWaalsContact CA-O 3.27Å; T933-Y1011 WeakPolarHBondContact CA-O 3.38Å; T933-Y1013 HydrophobicContact CG2-CD2 4.37Å
934F96.3Very high88.1Confident5 Ų549 Ų492%0.02227%0.265CS..EExtended strand (participates in β ladder)trans-145159.7-172.576.7-83.3000114.8W912 L950 S951 V952 I990 L1009 Y1011 P1012 Y1013W912-F934 HydrophobicContact CB-CD2 4.16Å; W912-F934 HydrophobicContact CB-CE2 3.5Å; W912-F934 VanDerWaalsContact CB-CE2 3.5Å; W912-F934 HydrophobicContact CB-CZ 4.03Å; W912-F934 AromaticContact CD1-CE2 3.96Å; W912-F934 AromaticContact CD1-CZ 3.99Å; W912-F934 HydrophobicContact CD2-CE2 4.47Å; W912-F934 AromaticContact CG-CE2 3.73Å; W912-F934 HydrophobicContact CG-CE2 3.73Å; W912-F934 HydrophobicContact CG-CZ 4.18Å; F934-L950 HydrophobicContact CB-CD1 4.26Å; F934-L950 HydrophobicContact CD2-CD1 4.02Å; F934-S951 CarbonylContact C-O 3.59Å; F934-S951 WeakPolarHBondContact CA-O 3.29Å; F934-S951 WeakPolarHBondContact CB-O 3.29Å; F934-V952 HydrophobicContact CB-CB 4.02Å; F934-V952 HydrophobicContact CB-CG2 4.07Å; F934-I990 HydrophobicContact CE2-CD1 4.48Å; F934-I990 HydrophobicContact CE2-CG2 3.55Å; F934-I990 HydrophobicContact CZ-CG2 3.78Å; F934-L1009 HydrophobicContact CB-CD2 3.89Å; F934-L1009 HydrophobicContact CD1-CB 3.7Å; F934-L1009 HydrophobicContact CD1-CD2 4.29Å; F934-L1009 HydrophobicContact CD2-CB 4.41Å; F934-L1009 HydrophobicContact CD2-CD1 4.26Å; F934-L1009 HydrophobicContact CD2-CD2 4.35Å; F934-L1009 HydrophobicContact CE1-CB 3.68Å; F934-L1009 WeakPolarHBondContact CE1-O 3.07Å; F934-L1009 HydrophobicContact CE2-CB 4.4Å; F934-L1009 HydrophobicContact CE2-CD1 4.33Å; F934-L1009 HydrophobicContact CG-CB 4.08Å; F934-L1009 HydrophobicContact CG-CD2 3.93Å; F934-L1009 HydrophobicContact CG-CG 4.42Å; F934-L1009 HydrophobicContact CZ-CB 4.04Å; F934-Y1011 VanDerWaalsContact CD1-O 3.3Å; F934-Y1011 WeakPolarHBondContact CD1-O 3.36Å; F934-Y1011 PolarHBondContact N-O 2.78Å; F934-P1012 HydrophobicContact CE1-CG 4Å; F934-P1012 HydrophobicContact CZ-CG 3.95Å; F934-Y1013 WeakPolarHBondContact O-CB 3.37Å; F934-Y1013 PolarHBondContact O-N 3.32Å
935L96.4Very high87.2Confident0 Ų051 Ų510%027%0.273CS..EExtended strand (participates in β ladder)trans-144.8156.8169.557.582.9000111.3W912 V914 M917 A922 L926 R937 S951 Y1013W912-L935 CarbonylContact O-C 3.54Å; W912-L935 WeakPolarHBondContact O-CA 3.19Å; V914-L935 HydrophobicContact CG1-CB 4.04Å; V914-L935 HydrophobicContact CG1-CD2 4.29Å; V914-L935 HydrophobicContact CG2-CB 4.45Å; V914-L935 HydrophobicContact CG2-CD1 3.94Å; V914-L935 HydrophobicContact CG2-CD2 4.45Å; M917-L935 HydrophobicContact SD-CD1 4.45Å; M917-L935 HydrophobicContact SD-CD2 4.33Å; A922-L935 HydrophobicContact CB-CD1 4.36Å; L926-L935 HydrophobicContact CD1-CD2 4.27Å; L926-L935 HydrophobicContact CD1-CG 4.24Å; L926-L935 HydrophobicContact CD2-CD2 4.17Å; L926-L935 HydrophobicContact CG-CD2 4.14Å; L935-R937 HydrophobicContact CD1-CB 4.18Å; L935-R937 HydrophobicContact CD1-CG 4.17Å; L935-S951 PolarHBondContact N-O 3.23Å; L935-S951 PolarHBondContact O-N 3.08Å; L935-Y1013 HydrophobicContact CD2-CD1 4.41Å; L935-Y1013 HydrophobicContact CD2-CG 4.31Å
936V96.3Very high86.2Confident0 Ų050.3 Ų50.30%028%0.279CS..EExtended strand (participates in β ladder)trans-111.9131.6166.8-176.80000108.6W912 Y913 V914 Y948 S949 L950 I962 I986 I990W912-V936 HydrophobicContact CD2-CG2 4.4Å; W912-V936 HydrophobicContact CE3-CB 3.68Å; W912-V936 HydrophobicContact CE3-CG2 3.5Å; W912-V936 VanDerWaalsContact CE3-CG2 3.5Å; W912-V936 HydrophobicContact CZ3-CB 3.81Å; W912-V936 HydrophobicContact CZ3-CG1 4.35Å; W912-V936 HydrophobicContact CZ3-CG2 3.69Å; W912-V936 PolarHBondContact O-N 3.46Å; Y913-V936 WeakPolarHBondContact CA-O 3.36Å; Y913-V936 HydrophobicContact CD2-CB 4.25Å; Y913-V936 HydrophobicContact CD2-CG1 4.21Å; Y913-V936 VanDerWaalsContact CD2-O 3.3Å; Y913-V936 WeakPolarHBondContact CD2-O 3.39Å; V914-V936 PolarHBondContact N-O 3.18Å; V936-Y948 HydrophobicContact CG1-CD1 4.39Å; V936-S949 WeakPolarHBondContact CA-O 3.42Å; V936-L950 HydrophobicContact CG2-CD1 4.34Å; V936-I962 HydrophobicContact CG1-CD1 3.8Å; V936-I962 HydrophobicContact CG2-CD1 4.31Å; V936-I986 HydrophobicContact CG1-CG2 4.38Å; V936-I990 HydrophobicContact CG2-CD1 3.51Å; V936-I990 HydrophobicContact CG2-CG1 3.96Å
937R94.3Very high85.9Confident12 Ų1252.7 Ų52.75%0.04529%0.29CS..EExtended strand (participates in β ladder)trans-129.3150.918059.3-172.6-176.772.112.5111.6V914 G915 M917 D918 L935 Y948 S949 S951V914-R937 HydrophobicContact CG2-CB 3.74Å; G915-R937 CarbonylContact O-C 3.55Å; G915-R937 WeakPolarHBondContact O-CA 3.16Å; M917-R937 HydrophobicContact CB-CB 3.76Å; M917-R937 HydrophobicContact CB-CG 4.42Å; M917-R937 WeakPolarHBondContact O-CD 3.44Å; M917-R937 PolarHBondContact O-NH1 3.08Å; D918-R937 PolarHBondContact O-NE 3.08Å; L935-R937 HydrophobicContact CD1-CB 4.18Å; L935-R937 HydrophobicContact CD1-CG 4.17Å; R937-Y948 WeakPolarHBondContact O-CA 3.46Å; R937-S949 PolarHBondContact N-O 3.15Å; R937-S949 PolarHBondContact O-N 3Å; R937-S951 PolarHBondContact NE-OG 3.19Å
938L90.4Very high86.1Confident13 Ų1350.6 Ų50.67%0.06827%0.273CS..EExtended strand (participates in β ladder)trans-81136.6161.8-152.183000109.1H904 G915 E916 M917 K940 G946 E947 Y948H904-L938 VanDerWaalsContact NE2-CD2 3.29Å; H904-L938 WeakPolarHBondContact NE2-CD2 3.41Å; G915-L938 PolarHBondContact O-N 2.86Å; E916-L938 WeakPolarHBondContact CA-O 3.19Å; E916-L938 HydrophobicContact CG-CB 4.12Å; E916-L938 HydrophobicContact CG-CD2 3.84Å; M917-L938 PolarHBondContact N-O 2.91Å; L938-K940 PolarHBondContact O-N 2.72Å; L938-G946 WeakPolarHBondContact CD1-O 3.39Å; L938-E947 CarbonylContact C-O 3.51Å; L938-Y948 HydrophobicContact CD1-CD1 3.7Å; L938-Y948 HydrophobicContact CD1-CD2 4.36Å; L938-Y948 HydrophobicContact CD1-CE1 3.47Å; L938-Y948 VanDerWaalsContact CD1-CE1 3.47Å; L938-Y948 HydrophobicContact CD1-CE2 4.2Å; L938-Y948 HydrophobicContact CD1-CG 4.16Å
939S85.9Confident86.5Confident7 Ų745.2 Ų45.25%0.04924%0.244CC..  trans-78121.5-177.61650000111.9S941 R944 G946 E947S939-S941 VanDerWaalsContact C-N 3.28Å; S939-S941 WeakPolarHBondContact OG-CB 3.31Å; S939-S941 PolarHBondContact OG-N 2.57Å; S939-R944 WeakPolarHBondContact CB-O 3.3Å; S939-R944 PolarHBondContact OG-O 3.05Å; S939-G946 PolarHBondContact O-N 2.85Å; S939-E947 VanDerWaalsContact CB-O 3.3Å; S939-E947 WeakPolarHBondContact CB-O 3.37Å; S939-E947 PolarHBondContact N-O 3.2Å
940K83.6Confident86.8Confident83 Ų8344.7 Ų44.736%0.36124%0.241SC..  trans-77.1-5.9168-66177.1178.5162.70114.1E916 D918 E921 L938 A942E916-K940 HydrophobicContact CB-CG 4.07Å; E916-K940 WeakPolarHBondContact O-CE 3.34Å; D918-K940 HydrophobicContact CB-CB 4.2Å; D918-K940 HydrophobicContact CB-CD 4.32Å; E921-K940 IonicContact OE1-NZ 2.73Å; E921-K940 PolarHBondContact OE1-NZ 2.82Å; E921-K940 IonicContact OE2-NZ 2.69Å; E921-K940 PolarHBondContact OE2-NZ 2.95Å; L938-K940 PolarHBondContact O-N 2.72Å; K940-A942 PolarHBondContact O-N 2.84Å
941S75.4Confident87.1Confident45 Ų4541.3 Ų41.332%0.31522%0.224SC..  trans-70.7128.4-177.6178.30000110.2S939 E943 R944 M945S939-S941 VanDerWaalsContact C-N 3.28Å; S939-S941 WeakPolarHBondContact OG-CB 3.31Å; S939-S941 PolarHBondContact OG-N 2.57Å; S941-E943 PolarHBondContact O-N 3.48Å; S941-R944 CarbonylContact O-C 3.59Å; S941-R944 PolarHBondContact O-N 3Å; S941-M945 WeakPolarHBondContact O-CA 3.48Å; S941-M945 PolarHBondContact O-N 3.36Å
942A70.5Confident87.3Confident94 Ų9437.9 Ų37.978%0.77721%0.205SC*.G310 helixtrans-56.8-35-176.200000113.7K940 R944K940-A942 PolarHBondContact O-N 2.84Å; A942-R944 PolarHBondContact O-N 3.27Å
943E74.4Confident87.5Confident168 Ų16838.1 Ų38.179%0.78521%0.207SC*.G310 helixtrans-66.9-21.2176.7-61.1172.6173.100113.7S941S941-E943 PolarHBondContact O-N 3.48Å
944R74.6Confident87.4Confident107 Ų10741.7 Ų41.740%0.40422%0.221SC..G310 helixtrans-143.344.4-171.8-73.5-178.9-77.6171.8-9.7110.2S939 S941 A942 G946 E947S939-R944 WeakPolarHBondContact CB-O 3.3Å; S939-R944 PolarHBondContact OG-O 3.05Å; S941-R944 CarbonylContact O-C 3.59Å; S941-R944 PolarHBondContact O-N 3Å; A942-R944 PolarHBondContact O-N 3.27Å; R944-G946 PolarHBondContact O-N 3.06Å; R944-E947 HydrophobicContact CB-CB 4.28Å; R944-E947 HydrophobicContact CB-CG 4.03Å; R944-E947 VanDerWaalsContact CD-OE2 3.29Å; R944-E947 WeakPolarHBondContact CD-OE2 3.29Å; R944-E947 WeakPolarHBondContact CG-OE2 3.49Å; R944-E947 PolarHBondContact O-N 3.28Å
945M72.8Confident87.2Confident148 Ų14844.8 Ų44.873%0.72925%0.254SS*.THydrogen-bonded Turntrans-73.1128.1-175.4-153.6-179.3-157.900109.1S941 E947S941-M945 WeakPolarHBondContact O-CA 3.48Å; S941-M945 PolarHBondContact O-N 3.36Å; M945-E947 VanDerWaalsContact C-N 3.33Å
946G72Confident86.9Confident40 Ų4049.6 Ų49.641%0.41228%0.276SS..THydrogen-bonded Turntrans83.10.2-175.700000115.5L938 S939 R944L938-G946 WeakPolarHBondContact CD1-O 3.39Å; S939-G946 PolarHBondContact O-N 2.85Å; R944-G946 PolarHBondContact O-N 3.06Å
947E86.2Confident86.8Confident51 Ų5150.6 Ų50.624%0.23828%0.283CS..  trans-81.3143.6174.2-63.9-164.8169.500112.5L938 S939 R944 M945 R961L938-E947 CarbonylContact C-O 3.51Å; S939-E947 VanDerWaalsContact CB-O 3.3Å; S939-E947 WeakPolarHBondContact CB-O 3.37Å; S939-E947 PolarHBondContact N-O 3.2Å; R944-E947 HydrophobicContact CB-CB 4.28Å; R944-E947 HydrophobicContact CB-CG 4.03Å; R944-E947 VanDerWaalsContact CD-OE2 3.29Å; R944-E947 WeakPolarHBondContact CD-OE2 3.29Å; R944-E947 WeakPolarHBondContact CG-OE2 3.49Å; R944-E947 PolarHBondContact O-N 3.28Å; M945-E947 VanDerWaalsContact C-N 3.33Å; E947-R961 IonicContact OE1-CZ 2.75Å; E947-R961 IonicContact OE1-NE 3Å; E947-R961 IonicContact OE1-NH2 2.82Å; E947-R961 PolarHBondContact OE1-NH2 3.44Å; E947-R961 IonicContact OE2-CZ 3.65Å; E947-R961 IonicContact OE2-NE 2.64Å; E947-R961 PolarHBondContact OE2-NE 3.47Å; E947-R961 IonicContact OE2-NH2 3.76Å; E947-R961 PolarHBondContact OE2-NH2 2.81Å
948Y94.3Very high86.8Confident18 Ų1853 Ų537%0.07129%0.292CS..EExtended strand (participates in β ladder)trans-83.8141.1175.4-64.2-81.9000112.1S903 H904 L907 Y913 V936 R937 L938 I962 I986S903-Y948 PolarHBondContact OG-OH 3.45Å; H904-Y948 PolarHBondContact CD2-OH 3.1Å; L907-Y948 HydrophobicContact CD1-CD1 4.2Å; L907-Y948 HydrophobicContact CD1-CE1 3.33Å; L907-Y948 WeakPolarHBondContact CD1-OH 3.45Å; Y913-Y948 HydrophobicContact CE2-CD1 4.15Å; Y913-Y948 AromaticContact CE2-CE1 3.91Å; Y913-Y948 HydrophobicContact CE2-CE1 3.91Å; V936-Y948 HydrophobicContact CG1-CD1 4.39Å; R937-Y948 WeakPolarHBondContact O-CA 3.46Å; L938-Y948 HydrophobicContact CD1-CD1 3.7Å; L938-Y948 HydrophobicContact CD1-CD2 4.36Å; L938-Y948 HydrophobicContact CD1-CE1 3.47Å; L938-Y948 VanDerWaalsContact CD1-CE1 3.47Å; L938-Y948 HydrophobicContact CD1-CE2 4.2Å; L938-Y948 HydrophobicContact CD1-CG 4.16Å; Y948-I962 PolarHBondContact O-N 3.42Å; Y948-I986 HydrophobicContact CD1-CD1 3.77Å; Y948-I986 HydrophobicContact CD2-CD1 3.3Å; Y948-I986 HydrophobicContact CE1-CD1 4.13Å; Y948-I986 HydrophobicContact CE2-CD1 3.69Å; Y948-I986 HydrophobicContact CG-CD1 3.32Å
949S94.9Very high87Confident5 Ų554.4 Ų54.44%0.03530%0.298CS..EExtended strand (participates in β ladder)trans-135127.9175.7-66.60000111V936 R937 I960V936-S949 WeakPolarHBondContact CA-O 3.42Å; R937-S949 PolarHBondContact N-O 3.15Å; R937-S949 PolarHBondContact O-N 3Å; S949-I960 CarbonylContact C-O 3.59Å; S949-I960 WeakPolarHBondContact CA-O 3.31Å
950L96.3Very high87.4Confident0 Ų054.8 Ų54.80%030%0.299CS..EExtended strand (participates in β ladder)trans-78134165173.860.6000108.3F934 V936 H959 I960 I962 L977 I990 L998 L1009F934-L950 HydrophobicContact CB-CD1 4.26Å; F934-L950 HydrophobicContact CD2-CD1 4.02Å; V936-L950 HydrophobicContact CG2-CD1 4.34Å; L950-H959 CarbonylContact O-C 3.09Å; L950-H959 WeakPolarHBondContact O-CA 3.03Å; L950-I960 HydrophobicContact CB-CB 4.38Å; L950-I960 HydrophobicContact CD2-CD1 4.32Å; L950-I960 PolarHBondContact N-O 3.08Å; L950-I960 PolarHBondContact O-N 3.12Å; L950-I962 HydrophobicContact CB-CD1 4.21Å; L950-I962 HydrophobicContact CB-CG1 4.12Å; L950-L977 HydrophobicContact CD2-CD1 3.89Å; L950-L977 HydrophobicContact CD2-CD2 4.25Å; L950-I990 HydrophobicContact CD1-CD1 3.98Å; L950-L998 HydrophobicContact CD2-CD2 4.32Å; L950-L1009 HydrophobicContact CD1-CD1 4.08Å; L950-L1009 HydrophobicContact CD1-CD2 4.04Å; L950-L1009 HydrophobicContact CD2-CD1 4.13Å; L950-L1009 HydrophobicContact CD2-CD2 4.19Å
951S96.7Very high87.8Confident0 Ų056.2 Ų56.20%030%0.303CS..EExtended strand (participates in β ladder)trans-126.7127.2170.4-540000108.3F934 L935 R937 R958 H959F934-S951 CarbonylContact C-O 3.59Å; F934-S951 WeakPolarHBondContact CA-O 3.29Å; F934-S951 WeakPolarHBondContact CB-O 3.29Å; L935-S951 PolarHBondContact N-O 3.23Å; L935-S951 PolarHBondContact O-N 3.08Å; R937-S951 PolarHBondContact NE-OG 3.19Å; S951-R958 WeakPolarHBondContact CA-O 3.21Å; S951-H959 WeakPolarHBondContact CB-ND1 3.09Å; S951-H959 PolarHBondContact OG-ND1 3.09Å
952V96.2Very high88.7Confident0 Ų054.4 Ų54.40%029%0.289CS..EExtended strand (participates in β ladder)trans-141.5145.4-170.6590000110.2T933 F934 R958 L998 I1007 L1009T933-V952 CarbonylContact O-C 3.08Å; T933-V952 WeakPolarHBondContact O-CA 3.33Å; F934-V952 HydrophobicContact CB-CB 4.02Å; F934-V952 HydrophobicContact CB-CG2 4.07Å; V952-R958 HydrophobicContact CG1-CB 4.21Å; V952-R958 PolarHBondContact N-O 3.33Å; V952-R958 PolarHBondContact O-N 2.66Å; V952-L998 HydrophobicContact CG1-CD1 3.89Å; V952-L998 HydrophobicContact CG2-CD1 4.48Å; V952-I1007 HydrophobicContact CG2-CG2 4.32Å; V952-L1009 HydrophobicContact CB-CD2 4.16Å; V952-L1009 HydrophobicContact CG2-CD2 3.84Å
953V95.2Very high89.7Confident5 Ų552.8 Ų52.83%0.0327%0.265CS..EExtended strand (participates in β ladder)trans-88.9126.6175.8-170.60000110.4L926 C929 D931 G932 T933L926-V953 HydrophobicContact CB-CG2 3.81Å; L926-V953 HydrophobicContact CD2-CG2 4.19Å; L926-V953 HydrophobicContact CG-CG2 4.41Å; L926-V953 WeakPolarHBondContact O-CG2 3.25Å; C929-V953 HydrophobicContact CB-CG2 4.08Å; D931-V953 WeakPolarHBondContact OD1-CG1 3.49Å; G932-V953 PolarHBondContact N-O 3.08Å; T933-V953 PolarHBondContact O-N 3.09Å
954Y93.7Very high90.5Very high74 Ų7450.8 Ų50.829%0.2925%0.251SS..SBendtrans-14893.9166.4-175.2-122.9000109.2D931 H956 E1004 V1005 D1006 I1007D931-Y954 VanDerWaalsContact OD1-CA 3.29Å; D931-Y954 WeakPolarHBondContact OD1-CA 3.28Å; Y954-H956 PolarHBondContact N-O 3.4Å; Y954-H956 PolarHBondContact O-N 3.33Å; Y954-E1004 WeakPolarHBondContact CE1-O 3.47Å; Y954-V1005 HydrophobicContact CD1-CG1 4.28Å; Y954-D1006 WeakPolarHBondContact CE2-O 3.42Å; Y954-I1007 HydrophobicContact CD2-CB 3.77Å; Y954-I1007 HydrophobicContact CD2-CD1 3.82Å; Y954-I1007 HydrophobicContact CD2-CG1 4.42Å; Y954-I1007 HydrophobicContact CD2-CG2 4Å; Y954-I1007 HydrophobicContact CE2-CB 4.19Å; Y954-I1007 HydrophobicContact CE2-CD1 4.39Å; Y954-I1007 HydrophobicContact CG-CB 4.32Å; Y954-I1007 HydrophobicContact CG-CG2 4.09Å
955G90.8Very high91.1Very high70 Ų7047 Ų4772%0.72224%0.237SC*.SBendtrans69.3-39-166.100000113.8D931D931-G955 PolarHBondContact OD1-N 3.39Å
956H91.4Very high91.6Very high101 Ų10143.3 Ų43.347%0.46823%0.226SC..SBendtrans-150.9168.217057.982.7000109.4Y954 R958Y954-H956 PolarHBondContact N-O 3.4Å; Y954-H956 PolarHBondContact O-N 3.33Å; H956-R958 PolarHBondContact CE1-NE 3.5Å; H956-R958 VanDerWaalsContact CE1-NE 3.26Å; H956-R958 PolarHBondContact NE2-NH2 3.12Å; H956-R958 PolarHBondContact O-N 2.79Å
957P93.7Very high91.8Very high22 Ų2243.7 Ų43.714%0.14322%0.222CC..EExtended strand (participates in β ladder)trans-58.5121.4174.4-26.636.5000112.4V923 L926V923-P957 HydrophobicContact CG2-CB 4.33Å; L926-P957 HydrophobicContact CB-CB 4.25Å; L926-P957 HydrophobicContact CB-CG 3.86Å
958R94.2Very high91.2Very high61 Ų6147.7 Ų47.723%0.2326%0.256CS..EExtended strand (participates in β ladder)trans-101.4148.8167.7-60.2-75.5178.7152.2-2.8107.9S951 V952 H956 E1004 V1005S951-R958 WeakPolarHBondContact CA-O 3.21Å; V952-R958 HydrophobicContact CG1-CB 4.21Å; V952-R958 PolarHBondContact N-O 3.33Å; V952-R958 PolarHBondContact O-N 2.66Å; H956-R958 PolarHBondContact CE1-NE 3.5Å; H956-R958 VanDerWaalsContact CE1-NE 3.26Å; H956-R958 PolarHBondContact NE2-NH2 3.12Å; H956-R958 PolarHBondContact O-N 2.79Å; R958-E1004 IonicContact CZ-OE2 2.7Å; R958-E1004 IonicContact NH1-OE2 3.14Å; R958-E1004 PolarHBondContact NH1-OE2 3.15Å; R958-E1004 IonicContact NH2-OE2 3.3Å; R958-V1005 HydrophobicContact CG-CG2 4.37Å
959H94.2Very high90.1Very high44 Ų4451.6 Ų51.620%0.20428%0.278CS..EExtended strand (participates in β ladder)trans-131.9129.9174.9-44.6-90.5000110.2R919 V923 L950 S951R919-H959 WeakPolarHBondContact CG-NE2 3.36Å; R919-H959 PolarHBondContact NE-CD2 2.93Å; R919-H959 PolarHBondContact NE-NE2 2.81Å; V923-H959 VanDerWaalsContact CG2-NE2 3.31Å; V923-H959 WeakPolarHBondContact CG2-NE2 3.36Å; L950-H959 CarbonylContact O-C 3.09Å; L950-H959 WeakPolarHBondContact O-CA 3.03Å; S951-H959 WeakPolarHBondContact CB-ND1 3.09Å; S951-H959 PolarHBondContact OG-ND1 3.09Å
960I94.2Very high88.5Confident14 Ų1456.9 Ų56.97%0.07231%0.306CS..EExtended strand (participates in β ladder)trans-122.6130.2-174.7-56.2168.8000107.5S949 L950 I962 L977 L998 F1002S949-I960 CarbonylContact C-O 3.59Å; S949-I960 WeakPolarHBondContact CA-O 3.31Å; L950-I960 HydrophobicContact CB-CB 4.38Å; L950-I960 HydrophobicContact CD2-CD1 4.32Å; L950-I960 PolarHBondContact N-O 3.08Å; L950-I960 PolarHBondContact O-N 3.12Å; I960-I962 PolarHBondContact O-N 3.42Å; I960-L977 HydrophobicContact CG2-CB 4.07Å; I960-L977 HydrophobicContact CG2-CD1 4.3Å; I960-L977 HydrophobicContact CG2-CD2 3.91Å; I960-L977 HydrophobicContact CG2-CG 4.3Å; I960-L998 HydrophobicContact CD1-CD1 4.15Å; I960-L998 HydrophobicContact CD1-CD2 4.11Å; I960-F1002 HydrophobicContact CD1-CD2 3.91Å; I960-F1002 HydrophobicContact CD1-CE2 3.82Å; I960-F1002 HydrophobicContact CG1-CE2 4.24Å; I960-F1002 HydrophobicContact CG2-CE1 4.26Å; I960-F1002 HydrophobicContact CG2-CE2 3.55Å; I960-F1002 HydrophobicContact CG2-CZ 3.37Å
961R92.6Very high87Confident114 Ų11458.9 Ų58.943%0.4332%0.32SS..EExtended strand (participates in β ladder)trans-71.1126.8173.8-172.7-175-171.5-152.55.2108E947 Q963E947-R961 IonicContact OE1-CZ 2.75Å; E947-R961 IonicContact OE1-NE 3Å; E947-R961 IonicContact OE1-NH2 2.82Å; E947-R961 PolarHBondContact OE1-NH2 3.44Å; E947-R961 IonicContact OE2-CZ 3.65Å; E947-R961 IonicContact OE2-NE 2.64Å; E947-R961 PolarHBondContact OE2-NE 3.47Å; E947-R961 IonicContact OE2-NH2 3.76Å; E947-R961 PolarHBondContact OE2-NH2 2.81Å; R961-Q963 PolarHBondContact O-N 3.16Å
962I94.7Very high85.7Confident7 Ų760.9 Ų60.94%0.03633%0.334CS..  trans-82.5105.4167.9-57.2178.3000105.5V936 Y948 L950 I960 Y975 L977 I986V936-I962 HydrophobicContact CG1-CD1 3.8Å; V936-I962 HydrophobicContact CG2-CD1 4.31Å; Y948-I962 PolarHBondContact O-N 3.42Å; L950-I962 HydrophobicContact CB-CD1 4.21Å; L950-I962 HydrophobicContact CB-CG1 4.12Å; I960-I962 PolarHBondContact O-N 3.42Å; I962-Y975 HydrophobicContact CG2-CD1 4.36Å; I962-L977 HydrophobicContact CG1-CD2 3.91Å; I962-I986 HydrophobicContact CD1-CG2 4.03Å; I962-I986 HydrophobicContact CG2-CD1 4.32Å; I962-I986 HydrophobicContact CG2-CG1 4.18Å
963Q91.4Very high85.2Confident59 Ų5963.7 Ų63.728%0.27635%0.348SS..EExtended strand (participates in β ladder)trans-75140.1-177.6-53.3-166.252.500109.1R961 F965 Y975 G976 L977R961-Q963 PolarHBondContact O-N 3.16Å; Q963-F965 HydrophobicContact CB-CE1 3.87Å; Q963-F965 HydrophobicContact CB-CE2 3.94Å; Q963-F965 HydrophobicContact CB-CZ 3.5Å; Q963-F965 HydrophobicContact CG-CZ 4.24Å; Q963-Y975 VanDerWaalsContact O-CA 3.25Å; Q963-Y975 WeakPolarHBondContact O-CA 3.44Å; Q963-G976 PolarHBondContact N-O 2.94Å; Q963-G976 PolarHBondContact O-N 3.27Å; Q963-L977 PolarHBondContact NE2-O 3.39Å
964R89.6Confident85Confident127 Ų12764.8 Ų64.848%0.47935%0.354SS..EExtended strand (participates in β ladder)trans-102113.3171.1179.6-171.8-175.3132.1-2.2106.7D901 I973 T974 Y975D901-R964 IonicContact OD2-CZ 3.63Å; D901-R964 IonicContact OD2-NH1 3.93Å; D901-R964 PolarHBondContact OD2-NH1 2.75Å; D901-R964 IonicContact OD2-NH2 3.36Å; D901-R964 PolarHBondContact OD2-NH2 2.98Å; R964-I973 HydrophobicContact CG-CG2 3.68Å; R964-T974 WeakPolarHBondContact CA-O 3.37Å; R964-Y975 HydrophobicContact CB-CD1 4.35Å; R964-Y975 HydrophobicContact CB-CE1 4.2Å; R964-Y975 HydrophobicContact CG-CE1 4.13Å
965F88.5Confident85Confident27 Ų2762.2 Ų62.212%0.11834%0.344CS..EExtended strand (participates in β ladder)trans-97.7135.3174.1-50.2-74.1000108.5Q963 I973 T974 E979 Q982Q963-F965 HydrophobicContact CB-CE1 3.87Å; Q963-F965 HydrophobicContact CB-CE2 3.94Å; Q963-F965 HydrophobicContact CB-CZ 3.5Å; Q963-F965 HydrophobicContact CG-CZ 4.24Å; F965-I973 WeakPolarHBondContact O-CA 3.43Å; F965-T974 PolarHBondContact N-O 2.96Å; F965-T974 PolarHBondContact O-N 3.43Å; F965-E979 HydrophobicContact CD1-CG 4.33Å; F965-E979 HydrophobicContact CE1-CB 4.42Å; F965-E979 HydrophobicContact CE1-CG 3.54Å; F965-E979 HydrophobicContact CZ-CB 4.46Å; F965-E979 HydrophobicContact CZ-CG 3.96Å; F965-Q982 HydrophobicContact CD2-CB 4.46Å; F965-Q982 HydrophobicContact CD2-CG 3.71Å; F965-Q982 HydrophobicContact CE2-CG 3.94Å; F965-Q982 HydrophobicContact CG-CG 4.49Å
966S82.1Confident85.1Confident71 Ų7158.9 Ų58.950%0.49731%0.31SS..EExtended strand (participates in β ladder)trans-111135171.650.50000108.5N970S966-N970 WeakPolarHBondContact CB-OD1 3.4Å
967S76Confident85.1Confident47 Ų4754.1 Ų54.133%0.32929%0.288SS..  trans-57155.9169.1177.90000110.7D969 N970 C972S967-D969 WeakPolarHBondContact CB-OD1 3.38Å; S967-D969 PolarHBondContact O-N 3.44Å; S967-D969 PolarHBondContact OG-OD1 3.34Å; S967-N970 WeakPolarHBondContact O-CA 3.36Å; S967-N970 PolarHBondContact O-N 3.26Å; S967-C972 PolarHBondContact N-O 2.89Å
968S74.1Confident84.9Confident135 Ų13554.1 Ų54.194%0.94429%0.288SS*.THydrogen-bonded Turntrans-63.7-12.9-175.751.90000114.7
969D72.7Confident84.2Confident100 Ų10058.1 Ų58.154%0.53531%0.31SS..THydrogen-bonded Turntrans-105.74.1175.163.6-11.6000112.9S967 S971S967-D969 WeakPolarHBondContact CB-OD1 3.38Å; S967-D969 PolarHBondContact O-N 3.44Å; S967-D969 PolarHBondContact OG-OD1 3.34Å; D969-S971 PolarHBondContact O-N 2.91Å; D969-S971 PolarHBondContact OD1-N 3.24Å; D969-S971 PolarHBondContact OD1-OG 3.36Å; D969-S971 WeakPolarHBondContact OD2-CB 3.47Å; D969-S971 PolarHBondContact OD2-OG 3.43Å
970N61.1Low83.5Confident116 Ų11663.3 Ų63.362%0.6234%0.338SS*.SBendtrans55.39.1-169.3-84.8-24.3000116S966 S967 C972S966-N970 WeakPolarHBondContact CB-OD1 3.4Å; S967-N970 WeakPolarHBondContact O-CA 3.36Å; S967-N970 PolarHBondContact O-N 3.26Å; N970-C972 VanDerWaalsContact C-N 3.3Å; N970-C972 PolarHBondContact O-N 2.84Å
971S63.2Low83Confident42 Ų4264.2 Ų64.229%0.29434%0.342SS..SBendtrans-73-22.6-174.171.40000113.9T896 D969T896-S971 WeakPolarHBondContact CG2-O 3.48Å; D969-S971 PolarHBondContact O-N 2.91Å; D969-S971 PolarHBondContact OD1-N 3.24Å; D969-S971 PolarHBondContact OD1-OG 3.36Å; D969-S971 WeakPolarHBondContact OD2-CB 3.47Å; D969-S971 PolarHBondContact OD2-OG 3.43Å
972C71.3Confident82.9Confident43 Ų4363.4 Ų63.429%0.29134%0.343SS..  trans-130.8139.2179.2-166.90000110.8T896 S967 N970T896-C972 HydrophobicContact CG2-CB 3.96Å; S967-C972 PolarHBondContact N-O 2.89Å; N970-C972 VanDerWaalsContact C-N 3.3Å; N970-C972 PolarHBondContact O-N 2.84Å
973I84.5Confident82.8Confident59 Ų5964.5 Ų64.530%0.30335%0.348SS..EExtended strand (participates in β ladder)trans-118.9124.1172.7-64.2152000107.5R964 F965 Y975R964-I973 HydrophobicContact CG-CG2 3.68Å; F965-I973 WeakPolarHBondContact O-CA 3.43Å; I973-Y975 HydrophobicContact CG2-CE2 3.93Å
974T90.9Very high82.7Confident27 Ų2766 Ų6617%0.16636%0.363CS..EExtended strand (participates in β ladder)trans-120.3165.9174.257.90000110.2R964 F965 Q982 F983R964-T974 WeakPolarHBondContact CA-O 3.37Å; F965-T974 PolarHBondContact N-O 2.96Å; F965-T974 PolarHBondContact O-N 3.43Å; T974-Q982 PolarHBondContact OG1-OE1 3.38Å; T974-F983 CarbonylContact C-O 3.56Å; T974-F983 WeakPolarHBondContact CA-O 3.38Å; T974-F983 WeakPolarHBondContact CB-O 3.35Å
975Y93.7Very high82.7Confident20 Ų2063 Ų638%0.07836%0.356CS..EExtended strand (participates in β ladder)trans-130141.3-179.8-61.7-94.6000109.7I962 Q963 R964 I973 F983 I986I962-Y975 HydrophobicContact CG2-CD1 4.36Å; Q963-Y975 VanDerWaalsContact O-CA 3.25Å; Q963-Y975 WeakPolarHBondContact O-CA 3.44Å; R964-Y975 HydrophobicContact CB-CD1 4.35Å; R964-Y975 HydrophobicContact CB-CE1 4.2Å; R964-Y975 HydrophobicContact CG-CE1 4.13Å; I973-Y975 HydrophobicContact CG2-CE2 3.93Å; Y975-F983 PolarHBondContact N-O 3.3Å; Y975-F983 WeakPolarHBondContact O-CB 3.5Å; Y975-F983 WeakPolarHBondContact O-CD2 3.24Å; Y975-F983 PolarHBondContact O-N 3.18Å; Y975-I986 HydrophobicContact CD1-CD1 4.01Å; Y975-I986 HydrophobicContact CD1-CG1 3.73Å; Y975-I986 HydrophobicContact CD2-CG1 4.47Å; Y975-I986 HydrophobicContact CE1-CD1 4.15Å; Y975-I986 HydrophobicContact CE1-CG1 4.19Å; Y975-I986 HydrophobicContact CG-CG1 3.88Å
976G92.6Very high83Confident0 Ų062 Ų620%035%0.352CS..EExtended strand (participates in β ladder)trans-162175.3177.100000112.3Q963 E981Q963-G976 PolarHBondContact N-O 2.94Å; Q963-G976 PolarHBondContact O-N 3.27Å; G976-E981 WeakPolarHBondContact CA-O 3.42Å
977L93Very high83.6Confident2 Ų259.7 Ų59.71%0.0134%0.335CS..SBendtrans-95.2-33174.9-53.7-174.7000111.4L950 I960 I962 Q963 V989 Y993 L998 F1002L950-L977 HydrophobicContact CD2-CD1 3.89Å; L950-L977 HydrophobicContact CD2-CD2 4.25Å; I960-L977 HydrophobicContact CG2-CB 4.07Å; I960-L977 HydrophobicContact CG2-CD1 4.3Å; I960-L977 HydrophobicContact CG2-CD2 3.91Å; I960-L977 HydrophobicContact CG2-CG 4.3Å; I962-L977 HydrophobicContact CG1-CD2 3.91Å; Q963-L977 PolarHBondContact NE2-O 3.39Å; L977-V989 HydrophobicContact CD2-CG1 3.91Å; L977-V989 HydrophobicContact CG-CG1 4Å; L977-Y993 HydrophobicContact CB-CE2 4.37Å; L977-Y993 HydrophobicContact CD1-CD2 3.49Å; L977-Y993 VanDerWaalsContact CD1-CD2 3.49Å; L977-Y993 HydrophobicContact CD1-CE2 3.44Å; L977-Y993 VanDerWaalsContact CD1-CE2 3.44Å; L977-Y993 HydrophobicContact CD1-CG 4.14Å; L977-Y993 HydrophobicContact CG-CD2 4.08Å; L977-Y993 HydrophobicContact CG-CE2 3.63Å; L977-L998 HydrophobicContact CD1-CD2 3.4Å; L977-F1002 HydrophobicContact CB-CE2 3.75Å; L977-F1002 HydrophobicContact CB-CZ 3.93Å; L977-F1002 HydrophobicContact CD1-CE2 4.23Å
978C88.1Confident84.4Confident21 Ų2159.5 Ų59.514%0.14233%0.334CS..SBendtrans-136.2160.9169.564.30000110.4L980 E981 C1001C978-L980 PolarHBondContact O-N 3.38Å; C978-L980 VanDerWaalsContact O-N 3.1Å; C978-E981 PolarHBondContact O-N 2.87Å; C978-C1001 HydrophobicContact CB-CB 3.71Å; C978-C1001 WeakPolarHBondContact CB-SG 3.35Å; C978-C1001 PolarHBondContact N-SG 2.73Å; C978-C1001 VanDerWaalsContact N-SG 3.44Å; C978-C1001 WeakPolarHBondContact SG-CB 3.31Å; C978-C1001 CovalentContact SG-SG 2.05Å; C978-C1001 PolarHBondContact SG-SG 3.48Å
979E81Confident85.3Confident145 Ų14553.1 Ų53.168%0.67829%0.289SS*.THydrogen-bonded Turntrans-60.1-23.1-174.7-72.4-179.6147.200114.3F965 Q982F965-E979 HydrophobicContact CD1-CG 4.33Å; F965-E979 HydrophobicContact CE1-CB 4.42Å; F965-E979 HydrophobicContact CE1-CG 3.54Å; F965-E979 HydrophobicContact CZ-CB 4.46Å; F965-E979 HydrophobicContact CZ-CG 3.96Å; E979-Q982 WeakPolarHBondContact O-CG 3.1Å; E979-Q982 PolarHBondContact O-NE2 3.4Å
980L79.2Confident86.4Confident153 Ų15348.7 Ų48.780%0.80127%0.265SS*.THydrogen-bonded Turntrans-72.1-28.1-177.8-63.3171.9000113.9C978C978-L980 PolarHBondContact O-N 3.38Å; C978-L980 VanDerWaalsContact O-N 3.1Å
981E84Confident87.9Confident33 Ų3347.1 Ų47.115%0.15426%0.256CS..SBendtrans-127.998.6-177.4-68.2-170.1146.800109.8G976 C978 F983 Y993 R1000G976-E981 WeakPolarHBondContact CA-O 3.42Å; C978-E981 PolarHBondContact O-N 2.87Å; E981-F983 HydrophobicContact CB-CE2 3.83Å; E981-F983 HydrophobicContact CB-CZ 4Å; E981-F983 VanDerWaalsContact O-CE2 3.31Å; E981-F983 WeakPolarHBondContact O-CE2 3.12Å; E981-Y993 WeakPolarHBondContact CB-OH 3.24Å; E981-Y993 WeakPolarHBondContact OE2-CE1 3.35Å; E981-Y993 VanDerWaalsContact OE2-CZ 3.31Å; E981-Y993 PolarHBondContact OE2-OH 2.81Å; E981-R1000 WeakPolarHBondContact OE1-CD 3.32Å; E981-R1000 IonicContact OE1-CZ 3.17Å; E981-R1000 IonicContact OE1-NE 3.22Å; E981-R1000 IonicContact OE1-NH1 2.71Å; E981-R1000 PolarHBondContact OE1-NH1 3.47Å
982Q90.4Very high89.4Confident98 Ų9846.7 Ų46.746%0.45825%0.251SS..EExtended strand (participates in β ladder)trans-112.9138.6-177.6-54.2-17419.900111F965 T974 E979F965-Q982 HydrophobicContact CD2-CB 4.46Å; F965-Q982 HydrophobicContact CD2-CG 3.71Å; F965-Q982 HydrophobicContact CE2-CG 3.94Å; F965-Q982 HydrophobicContact CG-CG 4.49Å; T974-Q982 PolarHBondContact OG1-OE1 3.38Å; E979-Q982 WeakPolarHBondContact O-CG 3.1Å; E979-Q982 PolarHBondContact O-NE2 3.4Å
983F91.8Very high90.5Very high30 Ų3044.7 Ų44.713%0.13224%0.237CC..EExtended strand (participates in β ladder)trans-129.3150.6-172.2-55.6-89000110.4T974 Y975 E981 N985 C988 V989 N992 Y993T974-F983 CarbonylContact C-O 3.56Å; T974-F983 WeakPolarHBondContact CA-O 3.38Å; T974-F983 WeakPolarHBondContact CB-O 3.35Å; Y975-F983 PolarHBondContact N-O 3.3Å; Y975-F983 WeakPolarHBondContact O-CB 3.5Å; Y975-F983 WeakPolarHBondContact O-CD2 3.24Å; Y975-F983 PolarHBondContact O-N 3.18Å; E981-F983 HydrophobicContact CB-CE2 3.83Å; E981-F983 HydrophobicContact CB-CZ 4Å; E981-F983 VanDerWaalsContact O-CE2 3.31Å; E981-F983 WeakPolarHBondContact O-CE2 3.12Å; F983-N985 PolarHBondContact O-N 3.49Å; F983-C988 HydrophobicContact CB-CB 3.93Å; F983-C988 HydrophobicContact CD1-CB 4.39Å; F983-V989 HydrophobicContact CB-CG2 3.89Å; F983-V989 HydrophobicContact CD2-CB 4.33Å; F983-V989 HydrophobicContact CD2-CG2 3.82Å; F983-V989 HydrophobicContact CG-CG2 4.12Å; F983-N992 HydrophobicContact CD1-CB 4.31Å; F983-N992 HydrophobicContact CE1-CB 3.51Å; F983-N992 HydrophobicContact CZ-CB 3.68Å; F983-N992 VanDerWaalsContact CZ-CG 3.42Å; F983-N992 WeakPolarHBondContact CZ-ND2 3.29Å; F983-Y993 HydrophobicContact CE2-CE2 4.05Å; F983-Y993 HydrophobicContact CZ-CE2 4.46Å
984P88.2Confident90.9Very high91 Ų9144 Ų4459%0.59124%0.237SC*.SBendtrans-69.7-18-174.627.2-35.6000114.1C988P984-C988 HydrophobicContact CG-CB 4.48Å
985N91.2Very high90.9Very high64 Ų6447.5 Ų47.534%0.34225%0.25SS..SBendtrans-160.6164.3178.759.169.5000111.4F983 P987 C988 V989F983-N985 PolarHBondContact O-N 3.49Å; N985-P987 WeakPolarHBondContact OD1-CB 3.49Å; N985-P987 WeakPolarHBondContact OD1-CD 3.36Å; N985-C988 WeakPolarHBondContact O-CB 3.48Å; N985-C988 PolarHBondContact O-N 3.27Å; N985-C988 VanDerWaalsContact O-N 3.15Å; N985-C988 PolarHBondContact OD1-N 3.47Å; N985-C988 PolarHBondContact OD1-SG 2.86Å; N985-V989 PolarHBondContact O-N 2.05Å
986I93.5Very high90.8Very high5 Ų548.5 Ų48.53%0.02626%0.259CS..Hα-helixtrans-61-41.9-178.4-63.4-177.7000113.5L907 W912 V936 Y948 I962 Y975 C988 V989 I990L907-I986 HydrophobicContact CD1-CD1 4.35Å; L907-I986 HydrophobicContact CD2-CB 4.27Å; L907-I986 HydrophobicContact CD2-CG2 4.25Å; W912-I986 HydrophobicContact CH2-CG2 4.07Å; W912-I986 HydrophobicContact CZ3-CG2 4.22Å; V936-I986 HydrophobicContact CG1-CG2 4.38Å; Y948-I986 HydrophobicContact CD1-CD1 3.77Å; Y948-I986 HydrophobicContact CD2-CD1 3.3Å; Y948-I986 HydrophobicContact CE1-CD1 4.13Å; Y948-I986 HydrophobicContact CE2-CD1 3.69Å; Y948-I986 HydrophobicContact CG-CD1 3.32Å; I962-I986 HydrophobicContact CD1-CG2 4.03Å; I962-I986 HydrophobicContact CG2-CD1 4.32Å; I962-I986 HydrophobicContact CG2-CG1 4.18Å; Y975-I986 HydrophobicContact CD1-CD1 4.01Å; Y975-I986 HydrophobicContact CD1-CG1 3.73Å; Y975-I986 HydrophobicContact CD2-CG1 4.47Å; Y975-I986 HydrophobicContact CE1-CD1 4.15Å; Y975-I986 HydrophobicContact CE1-CG1 4.19Å; Y975-I986 HydrophobicContact CG-CG1 3.88Å; I986-C988 VanDerWaalsContact C-N 3.26Å; I986-C988 PolarHBondContact O-N 2.87Å; I986-V989 WeakPolarHBondContact O-CB 3.46Å; I986-V989 PolarHBondContact O-N 3.44Å; I986-I990 HydrophobicContact CG2-CG1 4.41Å; I986-I990 PolarHBondContact O-N 2.85Å
987P94.7Very high90.8Very high22 Ų2249.6 Ų49.614%0.14327%0.266CS..Hα-helixtrans-53-39.2171.5-30.135.9000114.2L907 Y910 W912 N985 I990 D991L907-P987 HydrophobicContact CD2-CG 4.13Å; Y910-P987 HydrophobicContact CE1-CB 4.04Å; Y910-P987 HydrophobicContact CE1-CG 4.22Å; Y910-P987 HydrophobicContact CE2-CG 3.98Å; W912-P987 HydrophobicContact CH2-CG 4.22Å; W912-P987 HydrophobicContact CZ2-CB 4.34Å; W912-P987 HydrophobicContact CZ2-CG 4.31Å; N985-P987 WeakPolarHBondContact OD1-CB 3.49Å; N985-P987 WeakPolarHBondContact OD1-CD 3.36Å; P987-I990 PolarHBondContact O-N 2.83Å; P987-D991 WeakPolarHBondContact O-CB 3.48Å; P987-D991 PolarHBondContact O-N 3.36Å
988C92.9Very high90.8Very high44 Ų4449.5 Ų49.530%0.29727%0.266SS..Hα-helixtrans-66.5-37.3174.1-66.40000113.1F983 P984 N985 I986 I990 D991 N992F983-C988 HydrophobicContact CB-CB 3.93Å; F983-C988 HydrophobicContact CD1-CB 4.39Å; P984-C988 HydrophobicContact CG-CB 4.48Å; N985-C988 WeakPolarHBondContact O-CB 3.48Å; N985-C988 PolarHBondContact O-N 3.27Å; N985-C988 VanDerWaalsContact O-N 3.15Å; N985-C988 PolarHBondContact OD1-N 3.47Å; N985-C988 PolarHBondContact OD1-SG 2.86Å; I986-C988 VanDerWaalsContact C-N 3.26Å; I986-C988 PolarHBondContact O-N 2.87Å; C988-I990 VanDerWaalsContact C-N 3.31Å; C988-I990 PolarHBondContact O-N 2.73Å; C988-D991 PolarHBondContact O-N 2.8Å; C988-N992 WeakPolarHBondContact O-CB 3.25Å; C988-N992 PolarHBondContact O-N 2.91Å
989V94.5Very high91Very high0 Ų051.4 Ų51.40%027%0.274CS..Hα-helixtrans-57.4-47.3172.2-175.70000110.1L977 F983 N985 I986 N992 Y993L977-V989 HydrophobicContact CD2-CG1 3.91Å; L977-V989 HydrophobicContact CG-CG1 4Å; F983-V989 HydrophobicContact CB-CG2 3.89Å; F983-V989 HydrophobicContact CD2-CB 4.33Å; F983-V989 HydrophobicContact CD2-CG2 3.82Å; F983-V989 HydrophobicContact CG-CG2 4.12Å; N985-V989 PolarHBondContact O-N 2.05Å; I986-V989 WeakPolarHBondContact O-CB 3.46Å; I986-V989 PolarHBondContact O-N 3.44Å; V989-N992 PolarHBondContact O-N 2.97Å; V989-Y993 HydrophobicContact CG1-CD2 3.94Å; V989-Y993 HydrophobicContact CG1-CE2 3.9Å; V989-Y993 WeakPolarHBondContact O-CD2 3.41Å; V989-Y993 PolarHBondContact O-N 3.29Å
990I95.5Very high91.1Very high7 Ų751.9 Ų51.94%0.03627%0.27CS..Hα-helixtrans-69.9-41.8-177.9-59.8-57.1000112W912 F934 V936 L950 I986 P987 C988 N992 Y993 S994 L1009W912-I990 HydrophobicContact CD2-CG1 4.46Å; W912-I990 HydrophobicContact CD2-CG2 4.34Å; W912-I990 HydrophobicContact CE3-CG1 4.47Å; W912-I990 HydrophobicContact CG-CG2 4.45Å; W912-I990 HydrophobicContact CH2-CG1 4.07Å; W912-I990 HydrophobicContact CZ2-CB 4.16Å; W912-I990 HydrophobicContact CZ2-CG1 4.04Å; W912-I990 HydrophobicContact CZ2-CG2 4.33Å; W912-I990 HydrophobicContact CZ3-CG1 4.29Å; F934-I990 HydrophobicContact CE2-CD1 4.48Å; F934-I990 HydrophobicContact CE2-CG2 3.55Å; F934-I990 HydrophobicContact CZ-CG2 3.78Å; V936-I990 HydrophobicContact CG2-CD1 3.51Å; V936-I990 HydrophobicContact CG2-CG1 3.96Å; L950-I990 HydrophobicContact CD1-CD1 3.98Å; I986-I990 HydrophobicContact CG2-CG1 4.41Å; I986-I990 PolarHBondContact O-N 2.85Å; P987-I990 PolarHBondContact O-N 2.83Å; C988-I990 VanDerWaalsContact C-N 3.31Å; C988-I990 PolarHBondContact O-N 2.73Å; I990-N992 VanDerWaalsContact C-N 3.32Å; I990-N992 PolarHBondContact O-N 2.86Å; I990-Y993 PolarHBondContact O-N 3.1Å; I990-S994 WeakPolarHBondContact O-CB 3.24Å; I990-S994 PolarHBondContact O-N 3.02Å; I990-L1009 HydrophobicContact CD1-CD1 3.73Å; I990-L1009 HydrophobicContact CG2-CD1 4.13Å
991D92.9Very high91.5Very high83 Ų8345.7 Ų45.744%0.44424%0.24SC..Hα-helixtrans-63.9-36.2176.6-178.653.6000111.9P987 C988 S994 K995P987-D991 WeakPolarHBondContact O-CB 3.48Å; P987-D991 PolarHBondContact O-N 3.36Å; C988-D991 PolarHBondContact O-N 2.8Å; D991-S994 PolarHBondContact O-OG 3Å; D991-K995 WeakPolarHBondContact O-CD 3.29Å; D991-K995 VanDerWaalsContact O-CE 3.32Å; D991-K995 WeakPolarHBondContact O-CE 3.48Å; D991-K995 WeakPolarHBondContact OD1-CE 3.2Å; D991-K995 IonicContact OD1-NZ 3.47Å; D991-K995 PolarHBondContact OD1-NZ 3.47Å; D991-K995 IonicContact OD2-NZ 2.75Å; D991-K995 PolarHBondContact OD2-NZ 2.79Å
992N93.6Very high91.7Very high34 Ų3447.1 Ų47.118%0.18225%0.245CC..Hα-helixtrans-63-57.2173.1-176.673.6000112.4F983 C988 V989 I990 S994 K995 V996F983-N992 HydrophobicContact CD1-CB 4.31Å; F983-N992 HydrophobicContact CE1-CB 3.51Å; F983-N992 HydrophobicContact CZ-CB 3.68Å; F983-N992 VanDerWaalsContact CZ-CG 3.42Å; F983-N992 WeakPolarHBondContact CZ-ND2 3.29Å; C988-N992 WeakPolarHBondContact O-CB 3.25Å; C988-N992 PolarHBondContact O-N 2.91Å; V989-N992 PolarHBondContact O-N 2.97Å; I990-N992 VanDerWaalsContact C-N 3.32Å; I990-N992 PolarHBondContact O-N 2.86Å; N992-S994 PolarHBondContact O-N 2.79Å; N992-K995 PolarHBondContact O-N 3.45Å; N992-V996 PolarHBondContact O-N 2.56Å
993Y94.5Very high91.4Very high0 Ų049.9 Ų49.90%026%0.263CS..Hα-helixtrans-74.6-4.9-177.4-61.1-65.3000114.1L977 E981 F983 V989 I990 V996 L998 T1008 L1009L977-Y993 HydrophobicContact CB-CE2 4.37Å; L977-Y993 HydrophobicContact CD1-CD2 3.49Å; L977-Y993 VanDerWaalsContact CD1-CD2 3.49Å; L977-Y993 HydrophobicContact CD1-CE2 3.44Å; L977-Y993 VanDerWaalsContact CD1-CE2 3.44Å; L977-Y993 HydrophobicContact CD1-CG 4.14Å; L977-Y993 HydrophobicContact CG-CD2 4.08Å; L977-Y993 HydrophobicContact CG-CE2 3.63Å; E981-Y993 WeakPolarHBondContact CB-OH 3.24Å; E981-Y993 WeakPolarHBondContact OE2-CE1 3.35Å; E981-Y993 VanDerWaalsContact OE2-CZ 3.31Å; E981-Y993 PolarHBondContact OE2-OH 2.81Å; F983-Y993 HydrophobicContact CE2-CE2 4.05Å; F983-Y993 HydrophobicContact CZ-CE2 4.46Å; V989-Y993 HydrophobicContact CG1-CD2 3.94Å; V989-Y993 HydrophobicContact CG1-CE2 3.9Å; V989-Y993 WeakPolarHBondContact O-CD2 3.41Å; V989-Y993 PolarHBondContact O-N 3.29Å; I990-Y993 PolarHBondContact O-N 3.1Å; Y993-V996 CarbonylContact C-O 3.27Å; Y993-V996 WeakPolarHBondContact CA-O 3.4Å; Y993-L998 HydrophobicContact CD1-CD2 3.89Å; Y993-L998 HydrophobicContact CD2-CD2 4.29Å; Y993-L998 HydrophobicContact CG-CD2 3.74Å; Y993-T1008 CarbonylContact O-C 3.54Å; Y993-T1008 WeakPolarHBondContact O-CA 3.33Å; Y993-T1008 WeakPolarHBondContact O-CB 3.41Å; Y993-L1009 PolarHBondContact O-N 3.29Å
994S93.3Very high91.1Very high44 Ų4455.2 Ų55.231%0.30829%0.288SS..THydrogen-bonded Turntrans-71.3-20.1163.379.70000113.2I990 D991 N992I990-S994 WeakPolarHBondContact O-CB 3.24Å; I990-S994 PolarHBondContact O-N 3.02Å; D991-S994 PolarHBondContact O-OG 3Å; N992-S994 PolarHBondContact O-N 2.79Å
995K91.4Very high91.2Very high101 Ų10151.2 Ų51.244%0.43926%0.262SS..THydrogen-bonded Turntrans-111-32.4-176.8-56.7162.9-164166.10112.7D991 N992D991-K995 WeakPolarHBondContact O-CD 3.29Å; D991-K995 VanDerWaalsContact O-CE 3.32Å; D991-K995 WeakPolarHBondContact O-CE 3.48Å; D991-K995 WeakPolarHBondContact OD1-CE 3.2Å; D991-K995 IonicContact OD1-NZ 3.47Å; D991-K995 PolarHBondContact OD1-NZ 3.47Å; D991-K995 IonicContact OD2-NZ 2.75Å; D991-K995 PolarHBondContact OD2-NZ 2.79Å; N992-K995 PolarHBondContact O-N 3.45Å
996V90.2Very high91.3Very high42 Ų4252.2 Ų52.226%0.25527%0.268SS..SBendtrans-115.7136.3-175.7-173.30000109.9N992 Y993 R1000N992-V996 PolarHBondContact O-N 2.56Å; Y993-V996 CarbonylContact C-O 3.27Å; Y993-V996 WeakPolarHBondContact CA-O 3.4Å; V996-R1000 HydrophobicContact CG1-CG 4.26Å
997S93.1Very high91.3Very high22 Ų2253 Ų5315%0.15427%0.272CS..  trans-61.1143.2179.7-175.50000112.1N999 R1000 D1006 I1007S997-N999 PolarHBondContact O-N 2.8Å; S997-N999 PolarHBondContact OG-N 2.88Å; S997-R1000 PolarHBondContact O-N 2.68Å; S997-D1006 WeakPolarHBondContact CB-OD1 3.1Å; S997-D1006 WeakPolarHBondContact OG-CA 3.3Å; S997-D1006 PolarHBondContact OG-OD1 3.43Å; S997-I1007 PolarHBondContact OG-N 2.71Å
998L93.3Very high91.2Very high0 Ų053.5 Ų53.50%028%0.275CS..G310 helixtrans-63.5-13.9173.8-72.3167000113.1L950 V952 I960 L977 Y993 R1000 C1001 F1002 V1005 I1007 L1009L950-L998 HydrophobicContact CD2-CD2 4.32Å; V952-L998 HydrophobicContact CG1-CD1 3.89Å; V952-L998 HydrophobicContact CG2-CD1 4.48Å; I960-L998 HydrophobicContact CD1-CD1 4.15Å; I960-L998 HydrophobicContact CD1-CD2 4.11Å; L977-L998 HydrophobicContact CD1-CD2 3.4Å; Y993-L998 HydrophobicContact CD1-CD2 3.89Å; Y993-L998 HydrophobicContact CD2-CD2 4.29Å; Y993-L998 HydrophobicContact CG-CD2 3.74Å; L998-R1000 PolarHBondContact O-N 3.07Å; L998-R1000 VanDerWaalsContact O-N 3.08Å; L998-C1001 PolarHBondContact O-N 3.15Å; L998-C1001 VanDerWaalsContact O-N 3.08Å; L998-F1002 PolarHBondContact O-N 2.8Å; L998-F1002 VanDerWaalsContact O-N 3.08Å; L998-V1005 CarbonylContact C-O 3.59Å; L998-V1005 HydrophobicContact CB-CB 4.3Å; L998-V1005 HydrophobicContact CB-CG1 4.02Å; L998-V1005 WeakPolarHBondContact CB-O 3.19Å; L998-V1005 HydrophobicContact CD1-CG1 4Å; L998-I1007 WeakPolarHBondContact CB-O 3.48Å; L998-I1007 HydrophobicContact CD1-CG2 4.36Å; L998-I1007 WeakPolarHBondContact CG-O 3.47Å; L998-I1007 PolarHBondContact N-O 2.96Å; L998-L1009 HydrophobicContact CD1-CD2 4.09Å
999N91.2Very high91.3Very high61 Ų6151.7 Ų51.733%0.32626%0.262SS..G310 helixtrans-59-21.1177.274.82.5000113.7S997 C1001 F1002 V1005 D1006S997-N999 PolarHBondContact O-N 2.8Å; S997-N999 PolarHBondContact OG-N 2.88Å; N999-C1001 VanDerWaalsContact C-N 3.27Å; N999-C1001 PolarHBondContact O-N 3.43Å; N999-F1002 WeakPolarHBondContact CA-O 3.34Å; N999-F1002 PolarHBondContact O-N 3.24Å; N999-V1005 PolarHBondContact N-O 2.9Å; N999-D1006 HydrophobicContact CB-CB 4.23Å; N999-D1006 PolarHBondContact ND2-OD1 3.48Å
1000R83.9Confident91.2Very high156 Ų15655.1 Ų55.159%0.58928%0.28SS*.G310 helixtrans-59.8-29.9173-88-158.5174.6-175.1-2.1115.3E981 V996 S997 L998E981-R1000 WeakPolarHBondContact OE1-CD 3.32Å; E981-R1000 IonicContact OE1-CZ 3.17Å; E981-R1000 IonicContact OE1-NE 3.22Å; E981-R1000 IonicContact OE1-NH1 2.71Å; E981-R1000 PolarHBondContact OE1-NH1 3.47Å; V996-R1000 HydrophobicContact CG1-CG 4.26Å; S997-R1000 PolarHBondContact O-N 2.68Å; L998-R1000 PolarHBondContact O-N 3.07Å; L998-R1000 VanDerWaalsContact O-N 3.08Å
1001C87.2Confident90.9Very high23 Ų2356.3 Ų56.316%0.15528%0.284CS..THydrogen-bonded Turntrans-109.2-18.3174.1-75.30000112.4C978 L998 N999C978-C1001 HydrophobicContact CB-CB 3.71Å; C978-C1001 WeakPolarHBondContact CB-SG 3.35Å; C978-C1001 PolarHBondContact N-SG 2.73Å; C978-C1001 VanDerWaalsContact N-SG 3.44Å; C978-C1001 WeakPolarHBondContact SG-CB 3.31Å; C978-C1001 CovalentContact SG-SG 2.05Å; C978-C1001 PolarHBondContact SG-SG 3.48Å; L998-C1001 PolarHBondContact O-N 3.15Å; L998-C1001 VanDerWaalsContact O-N 3.08Å; N999-C1001 VanDerWaalsContact C-N 3.27Å; N999-C1001 PolarHBondContact O-N 3.43Å
1002F88.7Confident91Very high63 Ų6354.1 Ų54.128%0.27627%0.274SS..  trans-147.691.6-172.4-45.9-78.4000111.7I960 L977 L998 N999 E1004 V1005I960-F1002 HydrophobicContact CD1-CD2 3.91Å; I960-F1002 HydrophobicContact CD1-CE2 3.82Å; I960-F1002 HydrophobicContact CG1-CE2 4.24Å; I960-F1002 HydrophobicContact CG2-CE1 4.26Å; I960-F1002 HydrophobicContact CG2-CE2 3.55Å; I960-F1002 HydrophobicContact CG2-CZ 3.37Å; L977-F1002 HydrophobicContact CB-CE2 3.75Å; L977-F1002 HydrophobicContact CB-CZ 3.93Å; L977-F1002 HydrophobicContact CD1-CE2 4.23Å; L998-F1002 PolarHBondContact O-N 2.8Å; L998-F1002 VanDerWaalsContact O-N 3.08Å; N999-F1002 WeakPolarHBondContact CA-O 3.34Å; N999-F1002 PolarHBondContact O-N 3.24Å; F1002-E1004 PolarHBondContact O-N 3.11Å; F1002-V1005 HydrophobicContact CB-CB 4.29Å; F1002-V1005 HydrophobicContact CB-CG2 4.08Å; F1002-V1005 PolarHBondContact O-N 3.03Å
1003D83Confident90.9Very high155 Ų15553.4 Ų53.483%0.82927%0.269SS*.THydrogen-bonded Turntrans-45.7-31.8-175.3-54.8-10.8000115.3V1005D1003-V1005 VanDerWaalsContact C-N 3.32Å; D1003-V1005 PolarHBondContact O-N 3.49Å
1004E87.1Confident90.8Very high142 Ų14256.2 Ų56.266%0.66428%0.282SS*.THydrogen-bonded Turntrans-74.6-8.2177.5-67.7-171.5-161.400115.8Y954 R958 F1002Y954-E1004 WeakPolarHBondContact CE1-O 3.47Å; R958-E1004 IonicContact CZ-OE2 2.7Å; R958-E1004 IonicContact NH1-OE2 3.14Å; R958-E1004 PolarHBondContact NH1-OE2 3.15Å; R958-E1004 IonicContact NH2-OE2 3.3Å; F1002-E1004 PolarHBondContact O-N 3.11Å
1005V88.5Confident90.4Very high7 Ų761.6 Ų61.64%0.04230%0.3CS..  trans-123.669.3-166.9-167.50000110.8Y954 R958 L998 N999 F1002 D1003 I1007Y954-V1005 HydrophobicContact CD1-CG1 4.28Å; R958-V1005 HydrophobicContact CG-CG2 4.37Å; L998-V1005 CarbonylContact C-O 3.59Å; L998-V1005 HydrophobicContact CB-CB 4.3Å; L998-V1005 HydrophobicContact CB-CG1 4.02Å; L998-V1005 WeakPolarHBondContact CB-O 3.19Å; L998-V1005 HydrophobicContact CD1-CG1 4Å; N999-V1005 PolarHBondContact N-O 2.9Å; F1002-V1005 HydrophobicContact CB-CB 4.29Å; F1002-V1005 HydrophobicContact CB-CG2 4.08Å; F1002-V1005 PolarHBondContact O-N 3.03Å; D1003-V1005 VanDerWaalsContact C-N 3.32Å; D1003-V1005 PolarHBondContact O-N 3.49Å; V1005-I1007 VanDerWaalsContact C-N 3.31Å; V1005-I1007 HydrophobicContact CG1-CG2 4.29Å; V1005-I1007 PolarHBondContact O-N 2.81Å
1006D93.3Very high90.1Very high86 Ų8658.8 Ų58.846%0.4629%0.293SS..  trans-81.972.3178.9-16416.1000112.8Y954 S997 N999Y954-D1006 WeakPolarHBondContact CE2-O 3.42Å; S997-D1006 WeakPolarHBondContact CB-OD1 3.1Å; S997-D1006 WeakPolarHBondContact OG-CA 3.3Å; S997-D1006 PolarHBondContact OG-OD1 3.43Å; N999-D1006 HydrophobicContact CB-CB 4.23Å; N999-D1006 PolarHBondContact ND2-OD1 3.48Å
1007I93.9Very high89.7Confident22 Ų2259.2 Ų59.211%0.11330%0.296CS..  trans-150.9155.6172-158.3150.4000113.6D931 G932 V952 Y954 S997 L998 V1005D931-I1007 HydrophobicContact CB-CD1 3.65Å; G932-I1007 VanDerWaalsContact N-CD1 3.28Å; V952-I1007 HydrophobicContact CG2-CG2 4.32Å; Y954-I1007 HydrophobicContact CD2-CB 3.77Å; Y954-I1007 HydrophobicContact CD2-CD1 3.82Å; Y954-I1007 HydrophobicContact CD2-CG1 4.42Å; Y954-I1007 HydrophobicContact CD2-CG2 4Å; Y954-I1007 HydrophobicContact CE2-CB 4.19Å; Y954-I1007 HydrophobicContact CE2-CD1 4.39Å; Y954-I1007 HydrophobicContact CG-CB 4.32Å; Y954-I1007 HydrophobicContact CG-CG2 4.09Å; S997-I1007 PolarHBondContact OG-N 2.71Å; L998-I1007 WeakPolarHBondContact CB-O 3.48Å; L998-I1007 HydrophobicContact CD1-CG2 4.36Å; L998-I1007 WeakPolarHBondContact CG-O 3.47Å; L998-I1007 PolarHBondContact N-O 2.96Å; V1005-I1007 VanDerWaalsContact C-N 3.31Å; V1005-I1007 HydrophobicContact CG1-CG2 4.29Å; V1005-I1007 PolarHBondContact O-N 2.81Å
1008T94Very high89.1Confident32 Ų3264.3 Ų64.320%0.19633%0.332CS..  trans-94.9161.3170.449.80000112.5Y993 L1010Y993-T1008 CarbonylContact O-C 3.54Å; Y993-T1008 WeakPolarHBondContact O-CA 3.33Å; Y993-T1008 WeakPolarHBondContact O-CB 3.41Å; T1008-L1010 VanDerWaalsContact C-N 3.34Å; T1008-L1010 PolarHBondContact O-N 3Å; T1008-L1010 VanDerWaalsContact OG1-CD2 3.29Å; T1008-L1010 WeakPolarHBondContact OG1-CD2 3.21Å
1009L94.7Very high88.8Confident5 Ų569.2 Ų69.23%0.02637%0.366CS..  trans-78.278.6175.7-58.4-174.4000111.1F934 L950 V952 I990 Y993 L998F934-L1009 HydrophobicContact CB-CD2 3.89Å; F934-L1009 HydrophobicContact CD1-CB 3.7Å; F934-L1009 HydrophobicContact CD1-CD2 4.29Å; F934-L1009 HydrophobicContact CD2-CB 4.41Å; F934-L1009 HydrophobicContact CD2-CD1 4.26Å; F934-L1009 HydrophobicContact CD2-CD2 4.35Å; F934-L1009 HydrophobicContact CE1-CB 3.68Å; F934-L1009 WeakPolarHBondContact CE1-O 3.07Å; F934-L1009 HydrophobicContact CE2-CB 4.4Å; F934-L1009 HydrophobicContact CE2-CD1 4.33Å; F934-L1009 HydrophobicContact CG-CB 4.08Å; F934-L1009 HydrophobicContact CG-CD2 3.93Å; F934-L1009 HydrophobicContact CG-CG 4.42Å; F934-L1009 HydrophobicContact CZ-CB 4.04Å; L950-L1009 HydrophobicContact CD1-CD1 4.08Å; L950-L1009 HydrophobicContact CD1-CD2 4.04Å; L950-L1009 HydrophobicContact CD2-CD1 4.13Å; L950-L1009 HydrophobicContact CD2-CD2 4.19Å; V952-L1009 HydrophobicContact CB-CD2 4.16Å; V952-L1009 HydrophobicContact CG2-CD2 3.84Å; I990-L1009 HydrophobicContact CD1-CD1 3.73Å; I990-L1009 HydrophobicContact CG2-CD1 4.13Å; Y993-L1009 PolarHBondContact O-N 3.29Å; L998-L1009 HydrophobicContact CD1-CD2 4.09Å
1010L90.8Very high88.6Confident73 Ų7367.8 Ų67.838%0.38236%0.361SS..  trans-76.2-43.5-172.5-65.2175.6000114.3G932 T1008G932-L1010 PolarHBondContact O-N 3.05Å; T1008-L1010 VanDerWaalsContact C-N 3.34Å; T1008-L1010 PolarHBondContact O-N 3Å; T1008-L1010 VanDerWaalsContact OG1-CD2 3.29Å; T1008-L1010 WeakPolarHBondContact OG1-CD2 3.21Å
1011Y90.9Very high88.8Confident32 Ų3265.3 Ų65.313%0.12536%0.358CS..EExtended strand (participates in β ladder)trans-134.1109.7-165.7-45.2-58.9000112.8I930 G932 T933 F934 Y1013 T1036 R1067I930-Y1011 HydrophobicContact CD1-CD2 3.68Å; I930-Y1011 HydrophobicContact CD1-CE2 3.39Å; I930-Y1011 HydrophobicContact CG1-CD2 3.79Å; I930-Y1011 HydrophobicContact CG1-CE2 3.87Å; G932-Y1011 PolarHBondContact O-N 2.78Å; T933-Y1011 CarbonylContact C-O 3.59Å; T933-Y1011 VanDerWaalsContact CA-O 3.27Å; T933-Y1011 WeakPolarHBondContact CA-O 3.38Å; F934-Y1011 VanDerWaalsContact CD1-O 3.3Å; F934-Y1011 WeakPolarHBondContact CD1-O 3.36Å; F934-Y1011 PolarHBondContact N-O 2.78Å; Y1011-Y1013 PolarHBondContact O-N 3.05Å; Y1011-T1036 HydrophobicContact CE1-CG2 4.49Å; Y1011-R1067 VanDerWaalsContact CD1-NE 3.33Å
1012P93.5Very high89.1Confident37 Ų3765.6 Ų65.624%0.2436%0.357CS..EExtended strand (participates in β ladder)trans-57.3126168.3-27.837.2000111.4W912 F934 Q1014W912-P1012 HydrophobicContact CB-CB 3.99Å; F934-P1012 HydrophobicContact CE1-CG 4Å; F934-P1012 HydrophobicContact CZ-CG 3.95Å; P1012-Q1014 PolarHBondContact O-N 3.49Å
1013Y93.5Very high89.4Confident18 Ų1866.6 Ų66.67%0.07136%0.359CS..  trans-63.2129174.1178.9-88.3000110.7L925 L926 T933 F934 L935 Y1011 K1015L925-Y1013 HydrophobicContact CB-CE1 4.49Å; L925-Y1013 HydrophobicContact CB-CE2 4.16Å; L925-Y1013 HydrophobicContact CD1-CE1 4.31Å; L926-Y1013 HydrophobicContact CD2-CD2 3.99Å; L926-Y1013 HydrophobicContact CD2-CG 4.41Å; T933-Y1013 HydrophobicContact CG2-CD2 4.37Å; F934-Y1013 WeakPolarHBondContact O-CB 3.37Å; F934-Y1013 PolarHBondContact O-N 3.32Å; L935-Y1013 HydrophobicContact CD2-CD1 4.41Å; L935-Y1013 HydrophobicContact CD2-CG 4.31Å; Y1011-Y1013 PolarHBondContact O-N 3.05Å; Y1013-K1015 HydrophobicContact CE1-CG 4.21Å
1014Q90.5Very high90Very high59 Ų5959.2 Ų59.228%0.27632%0.32SS..  trans-119.3128.5-179.2-70164.2-2.400109.2P1012 W1063 G1066 I1068P1012-Q1014 PolarHBondContact O-N 3.49Å; Q1014-W1063 PolarHBondContact O-NE1 3.37Å; Q1014-G1066 PolarHBondContact N-O 2.73Å; Q1014-G1066 CarbonylContact O-C 3.31Å; Q1014-G1066 WeakPolarHBondContact O-CA 3.28Å; Q1014-I1068 HydrophobicContact CB-CD1 4.39Å; Q1014-I1068 HydrophobicContact CB-CG1 4.19Å
1015K86.1Confident90.4Very high158 Ų15858.3 Ų58.369%0.68731%0.311SS*.PPolyproline II helixtrans-64.5146.1170.9-96.6178.8173.6172.50110.7Y1013Y1013-K1015 HydrophobicContact CE1-CG 4.21Å
1016C84.7Confident90.7Very high42 Ų4258.2 Ų58.228%0.28431%0.31SS..PPolyproline II helixtrans-60.2132.6165.3-174.20000108.9W1063C1016-W1063 HydrophobicContact CB-CD2 3.59Å; C1016-W1063 HydrophobicContact CB-CE3 3.79Å; C1016-W1063 HydrophobicContact CB-CG 4.07Å; C1016-W1063 HydrophobicContact CB-CH2 4.18Å; C1016-W1063 HydrophobicContact CB-CZ2 3.98Å; C1016-W1063 HydrophobicContact CB-CZ3 4.08Å
1017P82.2Confident90.7Very high50 Ų5057.6 Ų57.633%0.32531%0.307SS..PPolyproline II helixtrans-59.1147.9170.5-26.237.4000111.6S1019 V1050P1017-S1019 PolarHBondContact O-N 2.82Å; P1017-V1050 HydrophobicContact CG-CG1 3.76Å
1018S81.1Confident90.6Very high130 Ų13062.4 Ų62.491%0.90933%0.327SS*.SBendtrans-63.1-22.7-177-40.50000114.1
1019S85.8Confident90.5Very high103 Ų10365.6 Ų65.672%0.7234%0.343SS*.SBendtrans-138.372.6-173.143.70000111.1P1017P1017-S1019 PolarHBondContact O-N 2.82Å
1020P86.2Confident90.3Very high31 Ų3166.5 Ų66.520%0.20135%0.347CS..  trans-65.3150.2169.930.8-34.4000110.3F1022 Y1023 A1048 V1049P1020-F1022 VanDerWaalsContact C-N 3.34Å; P1020-F1022 PolarHBondContact O-N 2.86Å; P1020-Y1023 HydrophobicContact CG-CE2 4.17Å; P1020-A1048 HydrophobicContact CB-CB 3.85Å; P1020-A1048 HydrophobicContact CG-CB 4.28Å; P1020-V1049 CarbonylContact C-O 3.54Å
1021L89.7Confident90.2Very high103 Ų10369.6 Ų69.654%0.53936%0.359SS..SBendtrans-63.7-40.6-176.2-65.7169.6000112V1049 R1052L1021-V1049 WeakPolarHBondContact CB-O 2.99Å; L1021-V1049 HydrophobicContact CD1-CG1 4.42Å; L1021-V1049 PolarHBondContact N-O 3.32Å; L1021-R1052 HydrophobicContact CD1-CG 4.3Å
1022F93.7Very high89.7Confident29 Ų2970.4 Ų70.413%0.12737%0.366CS..EExtended strand (participates in β ladder)trans-174.6172.4174.647.7-90.7000109.1P1020 V1024 V1049 W1060 R1078P1020-F1022 VanDerWaalsContact C-N 3.34Å; P1020-F1022 PolarHBondContact O-N 2.86Å; F1022-V1024 HydrophobicContact CD2-CG1 3.73Å; F1022-V1024 HydrophobicContact CE2-CG1 3.6Å; F1022-V1049 HydrophobicContact CD2-CB 4.24Å; F1022-V1049 HydrophobicContact CD2-CG2 3.98Å; F1022-V1049 HydrophobicContact CE2-CB 4.08Å; F1022-V1049 HydrophobicContact CE2-CG1 4.34Å; F1022-V1049 HydrophobicContact CE2-CG2 3.73Å; F1022-V1049 HydrophobicContact CZ-CB 4.34Å; F1022-V1049 HydrophobicContact CZ-CG1 4.18Å; F1022-V1049 HydrophobicContact CZ-CG2 4.38Å; F1022-V1049 PolarHBondContact O-N 2.77Å; F1022-W1060 HydrophobicContact CE2-CE3 4.47Å; F1022-W1060 HydrophobicContact CE2-CH2 4.09Å; F1022-W1060 AromaticContact CE2-CZ3 3.97Å; F1022-W1060 HydrophobicContact CE2-CZ3 3.97Å; F1022-W1060 HydrophobicContact CZ-CH2 4.15Å; F1022-W1060 HydrophobicContact CZ-CZ2 4.35Å; F1022-W1060 HydrophobicContact CZ-CZ3 4.35Å; F1022-R1078 HydrophobicContact CD2-CG 3.73Å; F1022-R1078 VanDerWaalsContact CD2-NE 3.31Å; F1022-R1078 HydrophobicContact CE2-CG 3.98Å
1023Y94.1Very high88.8Confident84 Ų8473.8 Ų73.833%0.32939%0.386SS..EExtended strand (participates in β ladder)trans-99.6150.4172.5-68.9-87.7000111.7P1020 R1046 I1047 A1048 E1079P1020-Y1023 HydrophobicContact CG-CE2 4.17Å; Y1023-R1046 HydrophobicContact CD1-CG 4.33Å; Y1023-R1046 VanDerWaalsContact CD1-NH1 3.3Å; Y1023-R1046 VanDerWaalsContact CE1-NH1 3.35Å; Y1023-R1046 VanDerWaalsContact CG-NH2 3.3Å; Y1023-I1047 WeakPolarHBondContact CA-O 3.45Å; Y1023-A1048 HydrophobicContact CD1-CB 4.03Å; Y1023-A1048 HydrophobicContact CE1-CB 3.64Å; Y1023-E1079 PolarHBondContact O-N 3.41Å; Y1023-E1079 VanDerWaalsContact O-N 3.07Å
1024V95.6Very high88Confident0 Ų077.7 Ų77.70%042%0.416CS..EExtended strand (participates in β ladder)trans-134155.1174.2-57.30000108.8F1022 R1046 I1047 V1049 W1060 F1071 V1076 T1077 R1078F1022-V1024 HydrophobicContact CD2-CG1 3.73Å; F1022-V1024 HydrophobicContact CE2-CG1 3.6Å; V1024-R1046 CarbonylContact O-C 3.37Å; V1024-R1046 WeakPolarHBondContact O-CA 3.3Å; V1024-I1047 HydrophobicContact CG2-CB 3.76Å; V1024-I1047 HydrophobicContact CG2-CD1 4.04Å; V1024-I1047 PolarHBondContact N-O 2.89Å; V1024-I1047 PolarHBondContact O-N 2.68Å; V1024-V1049 HydrophobicContact CB-CG2 4.32Å; V1024-V1049 HydrophobicContact CG1-CG2 3.52Å; V1024-V1049 HydrophobicContact CG2-CG2 3.82Å; V1024-W1060 HydrophobicContact CG1-CE3 4.25Å; V1024-W1060 HydrophobicContact CG1-CZ3 3.77Å; V1024-F1071 HydrophobicContact CG2-CE2 4.39Å; V1024-F1071 HydrophobicContact CG2-CZ 4.15Å; V1024-V1076 HydrophobicContact CB-CB 3.98Å; V1024-V1076 HydrophobicContact CB-CG2 3.91Å; V1024-V1076 HydrophobicContact CG1-CG2 4.22Å; V1024-V1076 HydrophobicContact CG2-CB 3.97Å; V1024-V1076 HydrophobicContact CG2-CG1 4.02Å; V1024-V1076 HydrophobicContact CG2-CG2 3.95Å; V1024-T1077 CarbonylContact C-O 3.6Å; V1024-T1077 VanDerWaalsContact CA-O 3.3Å; V1024-T1077 WeakPolarHBondContact CA-O 3.5Å; V1024-T1077 WeakPolarHBondContact CB-O 3.34Å; V1024-R1078 HydrophobicContact CG1-CG 4.44Å
1025R96Very high87.4Confident124 Ų12477.2 Ų77.247%0.46842%0.415SS..EExtended strand (participates in β ladder)trans-116.6132.7174.3-166.7173.9-63.9-149.4-0110N1027 G1044 D1045 V1076 T1077 E1079R1025-N1027 PolarHBondContact O-OD1 3.36Å; R1025-G1044 WeakPolarHBondContact CG-O 3.46Å; R1025-D1045 CarbonylContact C-O 3.52Å; R1025-D1045 VanDerWaalsContact CA-O 3.26Å; R1025-D1045 WeakPolarHBondContact CA-O 3.05Å; R1025-V1076 CarbonylContact O-C 3.6Å; R1025-V1076 VanDerWaalsContact O-CA 3.23Å; R1025-V1076 WeakPolarHBondContact O-CA 3.49Å; R1025-V1076 WeakPolarHBondContact O-CB 3.29Å; R1025-T1077 PolarHBondContact N-O 2.7Å; R1025-T1077 PolarHBondContact O-N 2.89Å; R1025-E1079 HydrophobicContact CB-CG 4.41Å; R1025-E1079 IonicContact CZ-OE1 2.75Å; R1025-E1079 IonicContact NE-OE1 2.79Å; R1025-E1079 PolarHBondContact NE-OE1 3.3Å; R1025-E1079 VanDerWaalsContact NE-OE1 3.15Å; R1025-E1079 IonicContact NH2-OE1 2.73Å; R1025-E1079 PolarHBondContact NH2-OE1 3.14Å
1026A95.3Very high87.1Confident4 Ų474.3 Ų74.33%0.03341%0.411CS..EExtended strand (participates in β ladder)trans-68.4134.1175.200000111.3L1041 K1042 G1044 D1045 I1047 F1075 V1076A1026-L1041 HydrophobicContact CB-CB 4.15Å; A1026-L1041 HydrophobicContact CB-CD1 4.18Å; A1026-K1042 WeakPolarHBondContact CB-O 3.46Å; A1026-G1044 PolarHBondContact O-N 2.58Å; A1026-D1045 HydrophobicContact CB-CB 4.21Å; A1026-D1045 PolarHBondContact N-O 3.38Å; A1026-I1047 HydrophobicContact CB-CD1 4.1Å; A1026-F1075 WeakPolarHBondContact CA-O 3.35Å; A1026-V1076 HydrophobicContact CB-CG1 4.5Å
1027N92.7Very high87.1Confident74 Ų7480.2 Ų80.240%0.39643%0.427SS..SBendtrans-91.2-28.8175.8-63.8-4.1000111.5R1025 F1075 T1077R1025-N1027 PolarHBondContact O-OD1 3.36Å; N1027-F1075 PolarHBondContact N-O 2.96Å; N1027-T1077 PolarHBondContact ND2-OG1 2.89Å; N1027-T1077 PolarHBondContact OD1-N 2.87Å; N1027-T1077 PolarHBondContact OD1-OG1 3.4Å
1028F90.5Very high87.5Confident122 Ų12279.4 Ų79.454%0.53542%0.418SS..SBendtrans-140.4155.7-172.8-46.3-69.9000110.3F1075F1028-F1075 HydrophobicContact CB-CD1 3.83Å; F1028-F1075 HydrophobicContact CB-CE1 4.14Å; F1028-F1075 HydrophobicContact CD2-CD1 4.42Å
1029D92.2Very high88Confident99 Ų9973.4 Ų73.453%0.52938%0.376SS..  trans-67.6131170.4-72.524000110.1L1041 K1042 G1043 F1075D1029-L1041 CarbonylContact C-O 3.55Å; D1029-L1041 VanDerWaalsContact CA-O 3.32Å; D1029-L1041 WeakPolarHBondContact CA-O 3.48Å; D1029-K1042 VanDerWaalsContact OD1-CA 3.32Å; D1029-K1042 WeakPolarHBondContact OD1-CA 3.25Å; D1029-G1043 PolarHBondContact OD1-N 2.96Å; D1029-F1075 WeakPolarHBondContact O-CE1 3.45Å
1030F91.1Very high88.2Confident24 Ų2469.8 Ų69.811%0.10535%0.349CS..BIsolated β-bridgetrans-123.3117.9170.9171.1-106.4000108.4D1032 F1038 L1039 N1040 L1041 W1059 F1071 P1072 F1075F1030-D1032 HydrophobicContact CE2-CB 4.35Å; F1030-D1032 HydrophobicContact CZ-CB 3.93Å; F1030-F1038 HydrophobicContact CE1-CB 4.26Å; F1030-F1038 HydrophobicContact CZ-CG 4.48Å; F1030-L1039 WeakPolarHBondContact CD1-O 3.35Å; F1030-N1040 CarbonylContact O-C 3.56Å; F1030-N1040 WeakPolarHBondContact O-CA 3.3Å; F1030-L1041 HydrophobicContact CB-CB 4.18Å; F1030-L1041 HydrophobicContact CB-CD1 4.42Å; F1030-L1041 HydrophobicContact CB-CG 4.28Å; F1030-L1041 PolarHBondContact N-O 2.66Å; F1030-L1041 PolarHBondContact O-N 3.19Å; F1030-W1059 HydrophobicContact CE1-CZ3 4.37Å; F1030-W1059 HydrophobicContact CE2-CH2 4.31Å; F1030-W1059 AromaticContact CZ-CH2 3.93Å; F1030-W1059 HydrophobicContact CZ-CH2 3.93Å; F1030-W1059 AromaticContact CZ-CZ3 3.88Å; F1030-W1059 HydrophobicContact CZ-CZ3 3.88Å; F1030-F1071 HydrophobicContact CD1-CB 4.49Å; F1030-P1072 HydrophobicContact CD2-CG 3.71Å; F1030-P1072 HydrophobicContact CE2-CG 3.69Å; F1030-P1072 HydrophobicContact CG-CG 4.16Å; F1030-P1072 HydrophobicContact CZ-CG 4.12Å; F1030-F1075 HydrophobicContact CB-CD1 3.71Å; F1030-F1075 HydrophobicContact CB-CE1 4.05Å; F1030-F1075 HydrophobicContact CB-CG 4.42Å; F1030-F1075 HydrophobicContact CD2-CE1 4.39Å
1031H88.3Confident88.5Confident138 Ų13868.4 Ų68.464%0.63934%0.34SS*.  trans-136.6108.3-175.2-142.9-37.6000110.6N1040H1031-N1040 WeakPolarHBondContact CA-OD1 3.29Å; H1031-N1040 PolarHBondContact CE1-ND2 3.01Å; H1031-N1040 VanDerWaalsContact ND1-CG 3.32Å; H1031-N1040 PolarHBondContact ND1-ND2 2.83Å; H1031-N1040 PolarHBondContact ND1-OD1 3Å
1032D81.2Confident88.6Confident50 Ų5069.9 Ų69.927%0.26734%0.342SS..  trans-138.9111176.7-173.1-12.2000109.9F1030 S1034 F1038 N1040F1030-D1032 HydrophobicContact CE2-CB 4.35Å; F1030-D1032 HydrophobicContact CZ-CB 3.93Å; D1032-S1034 WeakPolarHBondContact OD1-CB 3.29Å; D1032-S1034 PolarHBondContact OD1-N 3.43Å; D1032-S1034 PolarHBondContact OD1-OG 3Å; D1032-S1034 PolarHBondContact OD2-OG 2.86Å; D1032-F1038 HydrophobicContact CB-CD2 3.84Å; D1032-F1038 HydrophobicContact CB-CE2 4.44Å; D1032-F1038 WeakPolarHBondContact OD2-CD2 3.48Å; D1032-F1038 WeakPolarHBondContact OD2-CE2 3.37Å; D1032-N1040 PolarHBondContact N-OD1 2.82Å; D1032-N1040 PolarHBondContact O-OD1 3.37Å
1033T74.3Confident88.5Confident107 Ų10770.5 Ų70.566%0.65636%0.357SS*.  trans-96.4-1.5179.349.50000113.5N1035T1033-N1035 PolarHBondContact O-N 2.88Å
1034S76.5Confident88.4Confident100 Ų10068.5 Ų68.570%0.69936%0.362SS*.SBendtrans-66.2-21.4-178.970.10000113.7D1032D1032-S1034 WeakPolarHBondContact OD1-CB 3.29Å; D1032-S1034 PolarHBondContact OD1-N 3.43Å; D1032-S1034 PolarHBondContact OD1-OG 3Å; D1032-S1034 PolarHBondContact OD2-OG 2.86Å
1035N79.1Confident88.3Confident49 Ų4970.6 Ų70.626%0.26237%0.373SS..SBendtrans-143.1115.2-175.5171.79.1000110T1033 R1037 F1038T1033-N1035 PolarHBondContact O-N 2.88Å; N1035-R1037 PolarHBondContact O-N 2.96Å; N1035-R1037 WeakPolarHBondContact OD1-CB 3.35Å; N1035-R1037 PolarHBondContact OD1-N 2.88Å; N1035-R1037 VanDerWaalsContact OD1-N 3.14Å; N1035-F1038 HydrophobicContact CB-CD2 3.67Å; N1035-F1038 HydrophobicContact CB-CE2 3.69Å; N1035-F1038 HydrophobicContact CB-CG 4.41Å; N1035-F1038 HydrophobicContact CB-CZ 4.43Å; N1035-F1038 PolarHBondContact O-N 2.98Å
1036T77.9Confident88.2Confident98 Ų9870.2 Ų70.260%0.60137%0.371SS*.THydrogen-bonded Turntrans-63.1-6.9-176.755.70000114.6Y1011 R1067Y1011-T1036 HydrophobicContact CE1-CG2 4.49Å; T1036-R1067 PolarHBondContact O-NH2 3.23Å
1037R86.7Confident88.2Confident166 Ų16670 Ų7063%0.62637%0.37SS*.THydrogen-bonded Turntrans-87.4-6.6171.8-61.5-173-71.5172.3-4.6114.3N1035 G1069 F1070N1035-R1037 PolarHBondContact O-N 2.96Å; N1035-R1037 WeakPolarHBondContact OD1-CB 3.35Å; N1035-R1037 PolarHBondContact OD1-N 2.88Å; N1035-R1037 VanDerWaalsContact OD1-N 3.14Å; R1037-G1069 CarbonylContact O-C 3.49Å; R1037-G1069 VanDerWaalsContact O-CA 3.24Å; R1037-G1069 WeakPolarHBondContact O-CA 3.4Å; R1037-F1070 HydrophobicContact CB-CD2 4.4Å; R1037-F1070 PolarHBondContact O-N 2.69Å
1038F90.2Very high88.3Confident32 Ų3266.6 Ų66.614%0.1435%0.351CS..BIsolated β-bridgetrans-81143.4171.3-65.5-41000112F1030 D1032 N1035 W1059 R1067 F1070F1030-F1038 HydrophobicContact CE1-CB 4.26Å; F1030-F1038 HydrophobicContact CZ-CG 4.48Å; D1032-F1038 HydrophobicContact CB-CD2 3.84Å; D1032-F1038 HydrophobicContact CB-CE2 4.44Å; D1032-F1038 WeakPolarHBondContact OD2-CD2 3.48Å; D1032-F1038 WeakPolarHBondContact OD2-CE2 3.37Å; N1035-F1038 HydrophobicContact CB-CD2 3.67Å; N1035-F1038 HydrophobicContact CB-CE2 3.69Å; N1035-F1038 HydrophobicContact CB-CG 4.41Å; N1035-F1038 HydrophobicContact CB-CZ 4.43Å; N1035-F1038 PolarHBondContact O-N 2.98Å; F1038-W1059 HydrophobicContact CD1-CE3 4.45Å; F1038-W1059 HydrophobicContact CD1-CH2 4.22Å; F1038-W1059 AromaticContact CD1-CZ3 3.78Å; F1038-W1059 HydrophobicContact CD1-CZ3 3.78Å; F1038-W1059 HydrophobicContact CE1-CE3 4.2Å; F1038-W1059 AromaticContact CE1-CH2 3.69Å; F1038-W1059 HydrophobicContact CE1-CH2 3.69Å; F1038-W1059 HydrophobicContact CE1-CZ2 4.34Å; F1038-W1059 AromaticContact CE1-CZ3 3.6Å; F1038-W1059 HydrophobicContact CE1-CZ3 3.6Å; F1038-W1059 HydrophobicContact CZ-CH2 4.07Å; F1038-W1059 HydrophobicContact CZ-CZ3 4.42Å; F1038-R1067 PolarHBondContact O-NH2 2.93Å; F1038-F1070 WeakPolarHBondContact CA-O 3.48Å; F1038-F1070 HydrophobicContact CD1-CB 4.23Å
1039L90.6Very high88.5Confident4 Ų460.8 Ų60.82%0.02133%0.326CS..  trans-103.2105.9177.5-168.771000108F1030 L1041 I1047 L1064 R1067 F1070 F1071F1030-L1039 WeakPolarHBondContact CD1-O 3.35Å; L1039-L1041 HydrophobicContact CD2-CD2 4.25Å; L1039-L1041 HydrophobicContact CG-CD2 4.3Å; L1039-I1047 HydrophobicContact CD2-CG2 3.99Å; L1039-L1064 HydrophobicContact CD1-CB 4.21Å; L1039-L1064 HydrophobicContact CD2-CB 3.9Å; L1039-L1064 HydrophobicContact CG-CB 4.26Å; L1039-R1067 HydrophobicContact CD1-CB 4.17Å; L1039-R1067 HydrophobicContact CD1-CG 4.37Å; L1039-R1067 WeakPolarHBondContact CD1-O 3.41Å; L1039-F1070 PolarHBondContact N-O 2.73Å; L1039-F1071 HydrophobicContact CD2-CD1 4.1Å
1040N90.8Very high88.5Confident27 Ų2758 Ų5814%0.14431%0.312CS..  trans-65.4140.8175.2-59.6-41.5000109.6F1030 H1031 D1032F1030-N1040 CarbonylContact O-C 3.56Å; F1030-N1040 WeakPolarHBondContact O-CA 3.3Å; H1031-N1040 WeakPolarHBondContact CA-OD1 3.29Å; H1031-N1040 PolarHBondContact CE1-ND2 3.01Å; H1031-N1040 VanDerWaalsContact ND1-CG 3.32Å; H1031-N1040 PolarHBondContact ND1-ND2 2.83Å; H1031-N1040 PolarHBondContact ND1-OD1 3Å; D1032-N1040 PolarHBondContact N-OD1 2.82Å; D1032-N1040 PolarHBondContact O-OD1 3.37Å
1041L92Very high88.6Confident3 Ų358.9 Ų58.92%0.01632%0.321CS..BIsolated β-bridgetrans-125.7149.5179.5-49.8-178.6000109.9A1026 D1029 F1030 L1039 I1047 L1064 F1071 V1076A1026-L1041 HydrophobicContact CB-CB 4.15Å; A1026-L1041 HydrophobicContact CB-CD1 4.18Å; D1029-L1041 CarbonylContact C-O 3.55Å; D1029-L1041 VanDerWaalsContact CA-O 3.32Å; D1029-L1041 WeakPolarHBondContact CA-O 3.48Å; F1030-L1041 HydrophobicContact CB-CB 4.18Å; F1030-L1041 HydrophobicContact CB-CD1 4.42Å; F1030-L1041 HydrophobicContact CB-CG 4.28Å; F1030-L1041 PolarHBondContact N-O 2.66Å; F1030-L1041 PolarHBondContact O-N 3.19Å; L1039-L1041 HydrophobicContact CD2-CD2 4.25Å; L1039-L1041 HydrophobicContact CG-CD2 4.3Å; L1041-I1047 HydrophobicContact CD1-CD1 4.26Å; L1041-I1047 HydrophobicContact CD2-CD1 3.85Å; L1041-I1047 HydrophobicContact CD2-CG1 3.68Å; L1041-L1064 HydrophobicContact CD2-CD2 3.85Å; L1041-F1071 HydrophobicContact CD1-CB 3.92Å; L1041-F1071 HydrophobicContact CD1-CD2 3.94Å; L1041-F1071 HydrophobicContact CD1-CG 4.09Å; L1041-F1071 HydrophobicContact CD2-CB 4.43Å; L1041-F1071 HydrophobicContact CG-CB 4.26Å; L1041-V1076 HydrophobicContact CD1-CG1 4.03Å
1042K91.2Very high88.9Confident133 Ų13357.4 Ų57.458%0.57831%0.31SS*.  trans-110.8151.9158.3-77.4-169.3169.1-175.50111.3A1026 D1029 G1044 D1045A1026-K1042 WeakPolarHBondContact CB-O 3.46Å; D1029-K1042 VanDerWaalsContact OD1-CA 3.32Å; D1029-K1042 WeakPolarHBondContact OD1-CA 3.25Å; K1042-G1044 PolarHBondContact O-N 3.24Å; K1042-D1045 PolarHBondContact N-OD2 3.47Å; K1042-D1045 VanDerWaalsContact O-CB 3.3Å; K1042-D1045 WeakPolarHBondContact O-CB 3.35Å; K1042-D1045 PolarHBondContact O-N 3.36Å
1043G91.5Very high89.2Confident43 Ų4359.3 Ų59.344%0.44333%0.333SS..THydrogen-bonded Turntrans-52.7122.8170.400000111.3D1029D1029-G1043 PolarHBondContact OD1-N 2.96Å
1044G92.1Very high89.6Confident42 Ų4255 Ų5543%0.43331%0.309SS..THydrogen-bonded Turntrans100.2-16-17400000115.6R1025 A1026 K1042R1025-G1044 WeakPolarHBondContact CG-O 3.46Å; A1026-G1044 PolarHBondContact O-N 2.58Å; K1042-G1044 PolarHBondContact O-N 3.24Å
1045D93.7Very high90.2Very high43 Ų4353 Ų5323%0.2329%0.288CS..  trans-59.6139.4179.9-83.3-22.9000112.2R1025 A1026 K1042 I1047 L1064R1025-D1045 CarbonylContact C-O 3.52Å; R1025-D1045 VanDerWaalsContact CA-O 3.26Å; R1025-D1045 WeakPolarHBondContact CA-O 3.05Å; A1026-D1045 HydrophobicContact CB-CB 4.21Å; A1026-D1045 PolarHBondContact N-O 3.38Å; K1042-D1045 PolarHBondContact N-OD2 3.47Å; K1042-D1045 VanDerWaalsContact O-CB 3.3Å; K1042-D1045 WeakPolarHBondContact O-CB 3.35Å; K1042-D1045 PolarHBondContact O-N 3.36Å; D1045-I1047 HydrophobicContact CB-CD1 4.31Å; D1045-I1047 WeakPolarHBondContact O-CD1 3.27Å; D1045-L1064 HydrophobicContact CB-CD1 4.2Å; D1045-L1064 HydrophobicContact CB-CD2 4.02Å; D1045-L1064 WeakPolarHBondContact OD2-CD2 3.36Å
1046R94.3Very high90.5Very high117 Ų11756.2 Ų56.244%0.44231%0.305SS..EExtended strand (participates in β ladder)trans-106.599.3-176.9-169.7179.6-171.1-96.9-8.2110.8Y1023 V1024 E1079Y1023-R1046 HydrophobicContact CD1-CG 4.33Å; Y1023-R1046 VanDerWaalsContact CD1-NH1 3.3Å; Y1023-R1046 VanDerWaalsContact CE1-NH1 3.35Å; Y1023-R1046 VanDerWaalsContact CG-NH2 3.3Å; V1024-R1046 CarbonylContact O-C 3.37Å; V1024-R1046 WeakPolarHBondContact O-CA 3.3Å; R1046-E1079 IonicContact CZ-OE2 3.55Å; R1046-E1079 IonicContact NE-OE1 2.86Å; R1046-E1079 PolarHBondContact NE-OE1 3.09Å; R1046-E1079 IonicContact NE-OE2 2.73Å; R1046-E1079 PolarHBondContact NE-OE2 2.82Å; R1046-E1079 IonicContact NH2-OE2 3.47Å; R1046-E1079 PolarHBondContact NH2-OE2 3.06Å
1047I94.8Very high91.1Very high0 Ų060.6 Ų60.60%031%0.311CS..EExtended strand (participates in β ladder)trans-95.4135.1-173.7-48.696000110.3Y1023 V1024 A1026 L1039 L1041 D1045 W1063 L1064 F1071 V1076Y1023-I1047 WeakPolarHBondContact CA-O 3.45Å; V1024-I1047 HydrophobicContact CG2-CB 3.76Å; V1024-I1047 HydrophobicContact CG2-CD1 4.04Å; V1024-I1047 PolarHBondContact N-O 2.89Å; V1024-I1047 PolarHBondContact O-N 2.68Å; A1026-I1047 HydrophobicContact CB-CD1 4.1Å; L1039-I1047 HydrophobicContact CD2-CG2 3.99Å; L1041-I1047 HydrophobicContact CD1-CD1 4.26Å; L1041-I1047 HydrophobicContact CD2-CD1 3.85Å; L1041-I1047 HydrophobicContact CD2-CG1 3.68Å; D1045-I1047 HydrophobicContact CB-CD1 4.31Å; D1045-I1047 WeakPolarHBondContact O-CD1 3.27Å; I1047-W1063 WeakPolarHBondContact CG2-O 3.32Å; I1047-L1064 HydrophobicContact CG1-CB 4.33Å; I1047-L1064 HydrophobicContact CG1-CD1 4.47Å; I1047-L1064 HydrophobicContact CG1-CD2 4.24Å; I1047-L1064 HydrophobicContact CG2-CB 4.45Å; I1047-F1071 HydrophobicContact CG2-CD1 4.45Å; I1047-F1071 HydrophobicContact CG2-CE1 3.89Å; I1047-F1071 HydrophobicContact CG2-CZ 4.31Å; I1047-V1076 HydrophobicContact CD1-CG1 4.12Å
1048A94.9Very high91.3Very high1 Ų153.9 Ų53.91%0.00829%0.294CS..EExtended strand (participates in β ladder)trans-87.7114.3170.800000109.4P1020 Y1023 V1050 G1062 W1063P1020-A1048 HydrophobicContact CB-CB 3.85Å; P1020-A1048 HydrophobicContact CG-CB 4.28Å; Y1023-A1048 HydrophobicContact CD1-CB 4.03Å; Y1023-A1048 HydrophobicContact CE1-CB 3.64Å; A1048-V1050 PolarHBondContact O-N 2.93Å; A1048-G1062 CarbonylContact O-C 3.57Å; A1048-G1062 WeakPolarHBondContact O-CA 3.35Å; A1048-W1063 HydrophobicContact CB-CB 4.41Å; A1048-W1063 PolarHBondContact N-O 3.3Å; A1048-W1063 PolarHBondContact O-N 2.77Å
1049V94.7Very high91.5Very high0 Ų055.9 Ų55.90%030%0.3CS..EExtended strand (participates in β ladder)trans-78125.7-177.5-176.80000110P1020 L1021 F1022 V1024 R1052 W1060 F1071P1020-V1049 CarbonylContact C-O 3.54Å; L1021-V1049 WeakPolarHBondContact CB-O 2.99Å; L1021-V1049 HydrophobicContact CD1-CG1 4.42Å; L1021-V1049 PolarHBondContact N-O 3.32Å; F1022-V1049 HydrophobicContact CD2-CB 4.24Å; F1022-V1049 HydrophobicContact CD2-CG2 3.98Å; F1022-V1049 HydrophobicContact CE2-CB 4.08Å; F1022-V1049 HydrophobicContact CE2-CG1 4.34Å; F1022-V1049 HydrophobicContact CE2-CG2 3.73Å; F1022-V1049 HydrophobicContact CZ-CB 4.34Å; F1022-V1049 HydrophobicContact CZ-CG1 4.18Å; F1022-V1049 HydrophobicContact CZ-CG2 4.38Å; F1022-V1049 PolarHBondContact O-N 2.77Å; V1024-V1049 HydrophobicContact CB-CG2 4.32Å; V1024-V1049 HydrophobicContact CG1-CG2 3.52Å; V1024-V1049 HydrophobicContact CG2-CG2 3.82Å; V1049-R1052 HydrophobicContact CG1-CG 4.45Å; V1049-W1060 HydrophobicContact CG2-CE3 4.26Å; V1049-F1071 HydrophobicContact CG2-CZ 4.34Å
1050V93.7Very high91.7Very high41 Ų4156.7 Ų56.725%0.24830%0.303CS..EExtended strand (participates in β ladder)trans-116.6-15.6-175.4-58.40000113.5P1017 A1048 K1061 W1063 I1068P1017-V1050 HydrophobicContact CG-CG1 3.76Å; A1048-V1050 PolarHBondContact O-N 2.93Å; V1050-K1061 HydrophobicContact CG2-CB 4.43Å; V1050-K1061 HydrophobicContact CG2-CG 4.28Å; V1050-K1061 WeakPolarHBondContact CG2-O 3.5Å; V1050-K1061 PolarHBondContact N-O 2.96Å; V1050-W1063 HydrophobicContact CG1-CB 4.42Å; V1050-I1068 HydrophobicContact CG2-CG2 3.83Å
1051S92.7Very high91.9Very high42 Ų4259.2 Ų59.229%0.29431%0.312SS..EExtended strand (participates in β ladder)trans-157.2145.4166.3-168.60000113.1A1053 K1061S1051-A1053 WeakPolarHBondContact OG-CB 3.48Å; S1051-A1053 PolarHBondContact OG-N 3.47Å; S1051-K1061 PolarHBondContact N-O 2.82Å; S1051-K1061 PolarHBondContact O-N 2.84Å
1052R93.4Very high92Very high108 Ų10859 Ų5941%0.40831%0.312SS..EExtended strand (participates in β ladder)trans-106.99.1172.1-6717368.3177.97113.1L1021 V1049 A1054 E1055L1021-R1052 HydrophobicContact CD1-CG 4.3Å; V1049-R1052 HydrophobicContact CG1-CG 4.45Å; R1052-A1054 PolarHBondContact O-N 2.94Å; R1052-E1055 HydrophobicContact CB-CB 4.47Å; R1052-E1055 IonicContact CZ-OE1 3.37Å; R1052-E1055 IonicContact CZ-OE2 3.37Å; R1052-E1055 IonicContact NE-OE1 2.73Å; R1052-E1055 PolarHBondContact NE-OE1 2.86Å; R1052-E1055 IonicContact NE-OE2 3.15Å; R1052-E1055 PolarHBondContact NE-OE2 3.07Å; R1052-E1055 IonicContact NH2-OE1 3.15Å; R1052-E1055 PolarHBondContact NH2-OE1 3.04Å; R1052-E1055 IonicContact NH2-OE2 2.69Å; R1052-E1055 PolarHBondContact NH2-OE2 2.84Å; R1052-E1055 WeakPolarHBondContact O-CB 3.27Å; R1052-E1055 PolarHBondContact O-N 3.34Å
1053A87.2Confident92.2Very high89 Ų8955 Ų5574%0.73629%0.293SS*.EExtended strand (participates in β ladder)trans-7012.7-172.100000116.2S1051S1051-A1053 WeakPolarHBondContact OG-CB 3.48Å; S1051-A1053 PolarHBondContact OG-N 3.47Å
1054A83.3Confident92.2Very high18 Ų1853.5 Ų53.515%0.14927%0.274CS..EExtended strand (participates in β ladder)trans-13617.4172.400000112R1052 D1056 R1057 G1058 W1059 F1070R1052-A1054 PolarHBondContact O-N 2.94Å; A1054-D1056 VanDerWaalsContact CA-OD1 3.23Å; A1054-D1056 WeakPolarHBondContact CA-OD1 3.29Å; A1054-D1056 PolarHBondContact O-N 2.94Å; A1054-R1057 PolarHBondContact O-N 3.46Å; A1054-G1058 PolarHBondContact O-N 2.98Å; A1054-W1059 CarbonylContact C-O 3.47Å; A1054-W1059 HydrophobicContact CB-CB 4.11Å; A1054-W1059 PolarHBondContact O-N 3.33Å; A1054-W1059 VanDerWaalsContact O-N 3.12Å; A1054-W1059 VanDerWaalsContact O-O 3.12Å; A1054-F1070 HydrophobicContact CB-CE1 4.42Å
1055E89.8Confident92Very high56 Ų5654.5 Ų54.526%0.26227%0.27SS..G310 helixtrans-65.1-27.8-179.5-179.2167.4-145.600112.3R1052 R1057 G1058 W1059 W1060 M1073R1052-E1055 HydrophobicContact CB-CB 4.47Å; R1052-E1055 IonicContact CZ-OE1 3.37Å; R1052-E1055 IonicContact CZ-OE2 3.37Å; R1052-E1055 IonicContact NE-OE1 2.73Å; R1052-E1055 PolarHBondContact NE-OE1 2.86Å; R1052-E1055 IonicContact NE-OE2 3.15Å; R1052-E1055 PolarHBondContact NE-OE2 3.07Å; R1052-E1055 IonicContact NH2-OE1 3.15Å; R1052-E1055 PolarHBondContact NH2-OE1 3.04Å; R1052-E1055 IonicContact NH2-OE2 2.69Å; R1052-E1055 PolarHBondContact NH2-OE2 2.84Å; R1052-E1055 WeakPolarHBondContact O-CB 3.27Å; R1052-E1055 PolarHBondContact O-N 3.34Å; E1055-R1057 PolarHBondContact O-N 3.35Å; E1055-G1058 PolarHBondContact O-N 3.07Å; E1055-W1059 PolarHBondContact N-O 3.19Å; E1055-W1060 VanDerWaalsContact CD-NE1 3.33Å; E1055-W1060 WeakPolarHBondContact OE1-CZ2 3.49Å; E1055-W1060 PolarHBondContact OE1-NE1 3.02Å; E1055-M1073 HydrophobicContact CG-CE 4.14Å; E1055-M1073 HydrophobicContact CG-SD 3.88Å
1056D85.9Confident91.7Very high118 Ų11852.5 Ų52.563%0.63126%0.259SS*.G310 helixtrans-54-20.7167.261.4-54.7000113.4A1054A1054-D1056 VanDerWaalsContact CA-OD1 3.23Å; A1054-D1056 WeakPolarHBondContact CA-OD1 3.29Å; A1054-D1056 PolarHBondContact O-N 2.94Å
1057R89.3Confident91.5Very high189 Ų18947.7 Ų47.771%0.71324%0.241SC*.G310 helixtrans-1145.4-177.5-42.1-173.2-171-173.1-1112.4A1054 E1055 W1059A1054-R1057 PolarHBondContact O-N 3.46Å; E1055-R1057 PolarHBondContact O-N 3.35Å; R1057-W1059 PolarHBondContact O-NE1 2.92Å
1058G90.8Very high91.4Very high26 Ų2649.8 Ų49.827%0.26825%0.252SS..THydrogen-bonded Turntrans78.416.4-175.500000115.2A1054 E1055 P1072 M1073A1054-G1058 PolarHBondContact O-N 2.98Å; E1055-G1058 PolarHBondContact O-N 3.07Å; G1058-P1072 WeakPolarHBondContact O-CA 3.44Å; G1058-M1073 WeakPolarHBondContact O-CG 3.16Å; G1058-M1073 PolarHBondContact O-N 2.67Å
1059W93.8Very high91.2Very high74 Ų7449.9 Ų49.928%0.2825%0.253SS..EExtended strand (participates in β ladder)trans-116.4133.8-178.1-6485.8000112.5F1030 F1038 A1054 E1055 R1057 F1070 P1072F1030-W1059 HydrophobicContact CE1-CZ3 4.37Å; F1030-W1059 HydrophobicContact CE2-CH2 4.31Å; F1030-W1059 AromaticContact CZ-CH2 3.93Å; F1030-W1059 HydrophobicContact CZ-CH2 3.93Å; F1030-W1059 AromaticContact CZ-CZ3 3.88Å; F1030-W1059 HydrophobicContact CZ-CZ3 3.88Å; F1038-W1059 HydrophobicContact CD1-CE3 4.45Å; F1038-W1059 HydrophobicContact CD1-CH2 4.22Å; F1038-W1059 AromaticContact CD1-CZ3 3.78Å; F1038-W1059 HydrophobicContact CD1-CZ3 3.78Å; F1038-W1059 HydrophobicContact CE1-CE3 4.2Å; F1038-W1059 AromaticContact CE1-CH2 3.69Å; F1038-W1059 HydrophobicContact CE1-CH2 3.69Å; F1038-W1059 HydrophobicContact CE1-CZ2 4.34Å; F1038-W1059 AromaticContact CE1-CZ3 3.6Å; F1038-W1059 HydrophobicContact CE1-CZ3 3.6Å; F1038-W1059 HydrophobicContact CZ-CH2 4.07Å; F1038-W1059 HydrophobicContact CZ-CZ3 4.42Å; A1054-W1059 CarbonylContact C-O 3.47Å; A1054-W1059 HydrophobicContact CB-CB 4.11Å; A1054-W1059 PolarHBondContact O-N 3.33Å; A1054-W1059 VanDerWaalsContact O-N 3.12Å; A1054-W1059 VanDerWaalsContact O-O 3.12Å; E1055-W1059 PolarHBondContact N-O 3.19Å; R1057-W1059 PolarHBondContact O-NE1 2.92Å; W1059-F1070 HydrophobicContact CE3-CB 4.09Å; W1059-P1072 HydrophobicContact CE3-CG 4.39Å; W1059-P1072 HydrophobicContact CH2-CG 3.99Å; W1059-P1072 HydrophobicContact CZ3-CG 3.85Å
1060W95.3Very high91.2Very high21 Ų2152.8 Ų52.88%0.0827%0.266CS..EExtended strand (participates in β ladder)trans-109.5156.5166.6-73-12.1000110.3F1022 V1024 V1049 E1055 F1070 F1071 M1073 V1076F1022-W1060 HydrophobicContact CE2-CE3 4.47Å; F1022-W1060 HydrophobicContact CE2-CH2 4.09Å; F1022-W1060 AromaticContact CE2-CZ3 3.97Å; F1022-W1060 HydrophobicContact CE2-CZ3 3.97Å; F1022-W1060 HydrophobicContact CZ-CH2 4.15Å; F1022-W1060 HydrophobicContact CZ-CZ2 4.35Å; F1022-W1060 HydrophobicContact CZ-CZ3 4.35Å; V1024-W1060 HydrophobicContact CG1-CE3 4.25Å; V1024-W1060 HydrophobicContact CG1-CZ3 3.77Å; V1049-W1060 HydrophobicContact CG2-CE3 4.26Å; E1055-W1060 VanDerWaalsContact CD-NE1 3.33Å; E1055-W1060 WeakPolarHBondContact OE1-CZ2 3.49Å; E1055-W1060 PolarHBondContact OE1-NE1 3.02Å; W1060-F1070 WeakPolarHBondContact O-CA 3.46Å; W1060-F1071 HydrophobicContact CB-CE1 3.99Å; W1060-F1071 HydrophobicContact CB-CE2 4.06Å; W1060-F1071 HydrophobicContact CB-CZ 3.62Å; W1060-F1071 HydrophobicContact CE3-CE2 4.22Å; W1060-F1071 HydrophobicContact CE3-CZ 4.17Å; W1060-F1071 PolarHBondContact N-O 2.86Å; W1060-F1071 PolarHBondContact O-N 3.19Å; W1060-M1073 HydrophobicContact CD2-CB 3.75Å; W1060-M1073 HydrophobicContact CE3-CB 4.07Å; W1060-M1073 HydrophobicContact CG-CB 4.03Å; W1060-M1073 HydrophobicContact CH2-CE 4.42Å; W1060-M1073 HydrophobicContact CZ2-CB 4.32Å; W1060-M1073 HydrophobicContact CZ2-CE 3.72Å; W1060-M1073 HydrophobicContact CZ3-CB 4.46Å; W1060-V1076 HydrophobicContact CE3-CG2 4.01Å; W1060-V1076 HydrophobicContact CZ3-CG2 3.79Å
1061K94.8Very high91.2Very high79 Ų7950.8 Ų50.834%0.34325%0.254SS..EExtended strand (participates in β ladder)trans-108.6127172.4-161.9-177.2-176.5-173.70108.9V1050 S1051 I1068 G1069 F1070V1050-K1061 HydrophobicContact CG2-CB 4.43Å; V1050-K1061 HydrophobicContact CG2-CG 4.28Å; V1050-K1061 WeakPolarHBondContact CG2-O 3.5Å; V1050-K1061 PolarHBondContact N-O 2.96Å; S1051-K1061 PolarHBondContact N-O 2.82Å; S1051-K1061 PolarHBondContact O-N 2.84Å; K1061-I1068 HydrophobicContact CD-CG2 4.23Å; K1061-I1068 HydrophobicContact CG-CG2 4Å; K1061-G1069 WeakPolarHBondContact CA-O 3.43Å; K1061-G1069 WeakPolarHBondContact CG-O 3.31Å; K1061-F1070 HydrophobicContact CB-CD1 3.98Å; K1061-F1070 HydrophobicContact CB-CE1 3.94Å; K1061-F1070 HydrophobicContact CD-CE1 4.18Å; K1061-F1070 HydrophobicContact CD-CE2 4.39Å; K1061-F1070 HydrophobicContact CD-CZ 4.01Å; K1061-F1070 HydrophobicContact CG-CD1 4.23Å; K1061-F1070 HydrophobicContact CG-CE1 4.15Å; K1061-F1070 HydrophobicContact CG-CZ 4.36Å
1062G94.5Very high91.3Very high0 Ų049.4 Ų49.40%024%0.243CC..EExtended strand (participates in β ladder)trans-138.7165.5-175.800000113A1048 I1068 G1069A1048-G1062 CarbonylContact O-C 3.57Å; A1048-G1062 WeakPolarHBondContact O-CA 3.35Å; G1062-I1068 VanDerWaalsContact O-CA 3.27Å; G1062-I1068 WeakPolarHBondContact O-CA 3.37Å; G1062-I1068 WeakPolarHBondContact O-CG2 3.12Å; G1062-G1069 PolarHBondContact N-O 3.19Å; G1062-G1069 PolarHBondContact O-N 2.89Å
1063W94.6Very high91.2Very high48 Ų4847 Ų4718%0.18224%0.238CC..EExtended strand (participates in β ladder)trans-104.8131.7168.2-179.593.7000109.7Q1014 C1016 I1047 A1048 V1050 R1067 I1068Q1014-W1063 PolarHBondContact O-NE1 3.37Å; C1016-W1063 HydrophobicContact CB-CD2 3.59Å; C1016-W1063 HydrophobicContact CB-CE3 3.79Å; C1016-W1063 HydrophobicContact CB-CG 4.07Å; C1016-W1063 HydrophobicContact CB-CH2 4.18Å; C1016-W1063 HydrophobicContact CB-CZ2 3.98Å; C1016-W1063 HydrophobicContact CB-CZ3 4.08Å; I1047-W1063 WeakPolarHBondContact CG2-O 3.32Å; A1048-W1063 HydrophobicContact CB-CB 4.41Å; A1048-W1063 PolarHBondContact N-O 3.3Å; A1048-W1063 PolarHBondContact O-N 2.77Å; V1050-W1063 HydrophobicContact CG1-CB 4.42Å; W1063-R1067 WeakPolarHBondContact CA-O 3.33Å; W1063-I1068 HydrophobicContact CB-CG1 4.11Å; W1063-I1068 HydrophobicContact CG-CG1 4.29Å
1064L92.7Very high91.5Very high11 Ų1146.9 Ų46.96%0.05823%0.231CC..EExtended strand (participates in β ladder)trans-143.4134.7171176.365.2000107.5L1039 L1041 D1045 I1047 G1066 R1067L1039-L1064 HydrophobicContact CD1-CB 4.21Å; L1039-L1064 HydrophobicContact CD2-CB 3.9Å; L1039-L1064 HydrophobicContact CG-CB 4.26Å; L1041-L1064 HydrophobicContact CD2-CD2 3.85Å; D1045-L1064 HydrophobicContact CB-CD1 4.2Å; D1045-L1064 HydrophobicContact CB-CD2 4.02Å; D1045-L1064 WeakPolarHBondContact OD2-CD2 3.36Å; I1047-L1064 HydrophobicContact CG1-CB 4.33Å; I1047-L1064 HydrophobicContact CG1-CD1 4.47Å; I1047-L1064 HydrophobicContact CG1-CD2 4.24Å; I1047-L1064 HydrophobicContact CG2-CB 4.45Å; L1064-G1066 PolarHBondContact O-N 3.42Å; L1064-G1066 VanDerWaalsContact O-N 3.15Å; L1064-R1067 PolarHBondContact N-O 3.09Å; L1064-R1067 PolarHBondContact O-N 3.01Å; L1064-R1067 VanDerWaalsContact O-O 3.09Å
1065N88.6Confident92.1Very high63 Ų6349 Ų4934%0.33724%0.238SC..THydrogen-bonded Turntrans37.759.5172-62.71.8000114.6N928 C929 R1067N928-N1065 WeakPolarHBondContact O-CB 3.35Å; N928-N1065 PolarHBondContact O-ND2 2.97Å; C929-N1065 PolarHBondContact SG-O 2.99Å; N1065-R1067 VanDerWaalsContact C-N 3.33Å; N1065-R1067 PolarHBondContact O-N 3.02Å
1066G87.2Confident92.3Very high1 Ų147.1 Ų47.11%0.0123%0.229CC..THydrogen-bonded Turntrans77.77.417500000115.9Q1014 L1064Q1014-G1066 PolarHBondContact N-O 2.73Å; Q1014-G1066 CarbonylContact O-C 3.31Å; Q1014-G1066 WeakPolarHBondContact O-CA 3.28Å; L1064-G1066 PolarHBondContact O-N 3.42Å; L1064-G1066 VanDerWaalsContact O-N 3.15Å
1067R90Very high92.7Very high17 Ų1745.1 Ų45.16%0.06422%0.222CC..EExtended strand (participates in β ladder)trans-136.1134.9-173.7-162.6169.6167.5-125.3-16.6111.5Y1011 T1036 F1038 L1039 W1063 L1064 N1065Y1011-R1067 VanDerWaalsContact CD1-NE 3.33Å; T1036-R1067 PolarHBondContact O-NH2 3.23Å; F1038-R1067 PolarHBondContact O-NH2 2.93Å; L1039-R1067 HydrophobicContact CD1-CB 4.17Å; L1039-R1067 HydrophobicContact CD1-CG 4.37Å; L1039-R1067 WeakPolarHBondContact CD1-O 3.41Å; W1063-R1067 WeakPolarHBondContact CA-O 3.33Å; L1064-R1067 PolarHBondContact N-O 3.09Å; L1064-R1067 PolarHBondContact O-N 3.01Å; L1064-R1067 VanDerWaalsContact O-O 3.09Å; N1065-R1067 VanDerWaalsContact C-N 3.33Å; N1065-R1067 PolarHBondContact O-N 3.02Å
1068I91.6Very high92.8Very high44 Ų4442.7 Ų42.723%0.22621%0.213CC..EExtended strand (participates in β ladder)trans-104.9126.1173.1-51.3177.2000109.7Q1014 V1050 K1061 G1062 W1063Q1014-I1068 HydrophobicContact CB-CD1 4.39Å; Q1014-I1068 HydrophobicContact CB-CG1 4.19Å; V1050-I1068 HydrophobicContact CG2-CG2 3.83Å; K1061-I1068 HydrophobicContact CD-CG2 4.23Å; K1061-I1068 HydrophobicContact CG-CG2 4Å; G1062-I1068 VanDerWaalsContact O-CA 3.27Å; G1062-I1068 WeakPolarHBondContact O-CA 3.37Å; G1062-I1068 WeakPolarHBondContact O-CG2 3.12Å; W1063-I1068 HydrophobicContact CB-CG1 4.11Å; W1063-I1068 HydrophobicContact CG-CG1 4.29Å
1069G92Very high92.6Very high2 Ų243.7 Ų43.72%0.02121%0.21CC..EExtended strand (participates in β ladder)trans-156-179.4176.900000113.1R1037 K1061 G1062R1037-G1069 CarbonylContact O-C 3.49Å; R1037-G1069 VanDerWaalsContact O-CA 3.24Å; R1037-G1069 WeakPolarHBondContact O-CA 3.4Å; K1061-G1069 WeakPolarHBondContact CA-O 3.43Å; K1061-G1069 WeakPolarHBondContact CG-O 3.31Å; G1062-G1069 PolarHBondContact N-O 3.19Å; G1062-G1069 PolarHBondContact O-N 2.89Å
1070F94Very high91.6Very high61 Ų6148.2 Ų48.227%0.26824%0.239SC..EExtended strand (participates in β ladder)trans-92.1141.6175.6-65.3-85.9000111.2R1037 F1038 L1039 A1054 W1059 W1060 K1061R1037-F1070 HydrophobicContact CB-CD2 4.4Å; R1037-F1070 PolarHBondContact O-N 2.69Å; F1038-F1070 WeakPolarHBondContact CA-O 3.48Å; F1038-F1070 HydrophobicContact CD1-CB 4.23Å; L1039-F1070 PolarHBondContact N-O 2.73Å; A1054-F1070 HydrophobicContact CB-CE1 4.42Å; W1059-F1070 HydrophobicContact CE3-CB 4.09Å; W1060-F1070 WeakPolarHBondContact O-CA 3.46Å; K1061-F1070 HydrophobicContact CB-CD1 3.98Å; K1061-F1070 HydrophobicContact CB-CE1 3.94Å; K1061-F1070 HydrophobicContact CD-CE1 4.18Å; K1061-F1070 HydrophobicContact CD-CE2 4.39Å; K1061-F1070 HydrophobicContact CD-CZ 4.01Å; K1061-F1070 HydrophobicContact CG-CD1 4.23Å; K1061-F1070 HydrophobicContact CG-CE1 4.15Å; K1061-F1070 HydrophobicContact CG-CZ 4.36Å
1071F94.2Very high89.9Confident0 Ų053 Ų530%028%0.276CS..EExtended strand (participates in β ladder)trans-142156.9174.365-85.9000110.1V1024 F1030 L1039 L1041 I1047 V1049 W1060 V1076V1024-F1071 HydrophobicContact CG2-CE2 4.39Å; V1024-F1071 HydrophobicContact CG2-CZ 4.15Å; F1030-F1071 HydrophobicContact CD1-CB 4.49Å; L1039-F1071 HydrophobicContact CD2-CD1 4.1Å; L1041-F1071 HydrophobicContact CD1-CB 3.92Å; L1041-F1071 HydrophobicContact CD1-CD2 3.94Å; L1041-F1071 HydrophobicContact CD1-CG 4.09Å; L1041-F1071 HydrophobicContact CD2-CB 4.43Å; L1041-F1071 HydrophobicContact CG-CB 4.26Å; I1047-F1071 HydrophobicContact CG2-CD1 4.45Å; I1047-F1071 HydrophobicContact CG2-CE1 3.89Å; I1047-F1071 HydrophobicContact CG2-CZ 4.31Å; V1049-F1071 HydrophobicContact CG2-CZ 4.34Å; W1060-F1071 HydrophobicContact CB-CE1 3.99Å; W1060-F1071 HydrophobicContact CB-CE2 4.06Å; W1060-F1071 HydrophobicContact CB-CZ 3.62Å; W1060-F1071 HydrophobicContact CE3-CE2 4.22Å; W1060-F1071 HydrophobicContact CE3-CZ 4.17Å; W1060-F1071 PolarHBondContact N-O 2.86Å; W1060-F1071 PolarHBondContact O-N 3.19Å; F1071-V1076 HydrophobicContact CD2-CG1 3.86Å; F1071-V1076 HydrophobicContact CE2-CB 4.39Å; F1071-V1076 HydrophobicContact CE2-CG1 3.57Å; F1071-V1076 HydrophobicContact CE2-CG2 3.83Å
1072P93.6Very high87.2Confident12 Ų1256.4 Ų56.48%0.07833%0.333CS..EExtended strand (participates in β ladder)trans-71.5130.4-179.8-12.827.8000110.8F1030 G1058 W1059 S1074 F1075F1030-P1072 HydrophobicContact CD2-CG 3.71Å; F1030-P1072 HydrophobicContact CE2-CG 3.69Å; F1030-P1072 HydrophobicContact CG-CG 4.16Å; F1030-P1072 HydrophobicContact CZ-CG 4.12Å; G1058-P1072 WeakPolarHBondContact O-CA 3.44Å; W1059-P1072 HydrophobicContact CE3-CG 4.39Å; W1059-P1072 HydrophobicContact CH2-CG 3.99Å; W1059-P1072 HydrophobicContact CZ3-CG 3.85Å; P1072-S1074 PolarHBondContact O-N 3.17Å; P1072-F1075 HydrophobicContact CB-CD2 3.72Å; P1072-F1075 HydrophobicContact CB-CE2 4.32Å; P1072-F1075 HydrophobicContact CB-CG 4.36Å; P1072-F1075 HydrophobicContact CG-CD2 3.95Å; P1072-F1075 HydrophobicContact CG-CE2 4.31Å; P1072-F1075 HydrophobicContact CG-CG 4.36Å; P1072-F1075 PolarHBondContact O-N 2.73Å; P1072-F1075 VanDerWaalsContact O-N 3.14Å
1073M93.2Very high86.8Confident59 Ų5959.3 Ų59.329%0.29135%0.35SS..G310 helixtrans-65.7-23.5179.573.8-177.3-76.100112.9E1055 G1058 W1060 F1075 V1076E1055-M1073 HydrophobicContact CG-CE 4.14Å; E1055-M1073 HydrophobicContact CG-SD 3.88Å; G1058-M1073 WeakPolarHBondContact O-CG 3.16Å; G1058-M1073 PolarHBondContact O-N 2.67Å; W1060-M1073 HydrophobicContact CD2-CB 3.75Å; W1060-M1073 HydrophobicContact CE3-CB 4.07Å; W1060-M1073 HydrophobicContact CG-CB 4.03Å; W1060-M1073 HydrophobicContact CH2-CE 4.42Å; W1060-M1073 HydrophobicContact CZ2-CB 4.32Å; W1060-M1073 HydrophobicContact CZ2-CE 3.72Å; W1060-M1073 HydrophobicContact CZ3-CB 4.46Å; M1073-F1075 PolarHBondContact O-N 2.94Å; M1073-V1076 WeakPolarHBondContact O-CG2 3.29Å; M1073-V1076 PolarHBondContact O-N 2.85Å
1074S93.1Very high86.4Confident86 Ų8659.8 Ų59.860%0.60136%0.359SS*.G310 helixtrans-71.1-13.7176.148.30000114P1072P1072-S1074 PolarHBondContact O-N 3.17Å
1075F94.5Very high86.1Confident63 Ų6362.6 Ų62.628%0.27638%0.376SS..G310 helixtrans-90.8-0.5180-82.6-120.2000113A1026 N1027 F1028 D1029 F1030 P1072 M1073A1026-F1075 WeakPolarHBondContact CA-O 3.35Å; N1027-F1075 PolarHBondContact N-O 2.96Å; F1028-F1075 HydrophobicContact CB-CD1 3.83Å; F1028-F1075 HydrophobicContact CB-CE1 4.14Å; F1028-F1075 HydrophobicContact CD2-CD1 4.42Å; D1029-F1075 WeakPolarHBondContact O-CE1 3.45Å; F1030-F1075 HydrophobicContact CB-CD1 3.71Å; F1030-F1075 HydrophobicContact CB-CE1 4.05Å; F1030-F1075 HydrophobicContact CB-CG 4.42Å; F1030-F1075 HydrophobicContact CD2-CE1 4.39Å; P1072-F1075 HydrophobicContact CB-CD2 3.72Å; P1072-F1075 HydrophobicContact CB-CE2 4.32Å; P1072-F1075 HydrophobicContact CB-CG 4.36Å; P1072-F1075 HydrophobicContact CG-CD2 3.95Å; P1072-F1075 HydrophobicContact CG-CE2 4.31Å; P1072-F1075 HydrophobicContact CG-CG 4.36Å; P1072-F1075 PolarHBondContact O-N 2.73Å; P1072-F1075 VanDerWaalsContact O-N 3.14Å; M1073-F1075 PolarHBondContact O-N 2.94Å
1076V94.8Very high85.9Confident15 Ų1562.5 Ų62.59%0.09138%0.378CS..EExtended strand (participates in β ladder)trans-129.5149.6-175.6-54.80000113V1024 R1025 A1026 L1041 I1047 W1060 F1071 M1073V1024-V1076 HydrophobicContact CB-CB 3.98Å; V1024-V1076 HydrophobicContact CB-CG2 3.91Å; V1024-V1076 HydrophobicContact CG1-CG2 4.22Å; V1024-V1076 HydrophobicContact CG2-CB 3.97Å; V1024-V1076 HydrophobicContact CG2-CG1 4.02Å; V1024-V1076 HydrophobicContact CG2-CG2 3.95Å; R1025-V1076 CarbonylContact O-C 3.6Å; R1025-V1076 VanDerWaalsContact O-CA 3.23Å; R1025-V1076 WeakPolarHBondContact O-CA 3.49Å; R1025-V1076 WeakPolarHBondContact O-CB 3.29Å; A1026-V1076 HydrophobicContact CB-CG1 4.5Å; L1041-V1076 HydrophobicContact CD1-CG1 4.03Å; I1047-V1076 HydrophobicContact CD1-CG1 4.12Å; W1060-V1076 HydrophobicContact CE3-CG2 4.01Å; W1060-V1076 HydrophobicContact CZ3-CG2 3.79Å; F1071-V1076 HydrophobicContact CD2-CG1 3.86Å; F1071-V1076 HydrophobicContact CE2-CB 4.39Å; F1071-V1076 HydrophobicContact CE2-CG1 3.57Å; F1071-V1076 HydrophobicContact CE2-CG2 3.83Å; M1073-V1076 WeakPolarHBondContact O-CG2 3.29Å; M1073-V1076 PolarHBondContact O-N 2.85Å
1077T93.8Very high85.8Confident77 Ų7766.4 Ų66.447%0.47240%0.401SS..EExtended strand (participates in β ladder)trans-102.4143.2162.8-50.10000109.4V1024 R1025 N1027V1024-T1077 CarbonylContact C-O 3.6Å; V1024-T1077 VanDerWaalsContact CA-O 3.3Å; V1024-T1077 WeakPolarHBondContact CA-O 3.5Å; V1024-T1077 WeakPolarHBondContact CB-O 3.34Å; R1025-T1077 PolarHBondContact N-O 2.7Å; R1025-T1077 PolarHBondContact O-N 2.89Å; N1027-T1077 PolarHBondContact ND2-OG1 2.89Å; N1027-T1077 PolarHBondContact OD1-N 2.87Å; N1027-T1077 PolarHBondContact OD1-OG1 3.4Å
1078R91.4Very high85.6Confident138 Ų13869.7 Ų69.752%0.52142%0.423SS..EExtended strand (participates in β ladder)trans-72.2129.5174.7-159.2174.3-169.2-162-3.7110F1022 V1024 L1080F1022-R1078 HydrophobicContact CD2-CG 3.73Å; F1022-R1078 VanDerWaalsContact CD2-NE 3.31Å; F1022-R1078 HydrophobicContact CE2-CG 3.98Å; V1024-R1078 HydrophobicContact CG1-CG 4.44Å; R1078-L1080 PolarHBondContact O-N 3.02Å
1079E87.5Confident85.1Confident46 Ų4671.5 Ų71.522%0.21544%0.437CS..PPolyproline II helixtrans-71122.5167.9-79.3-172.217100108.3Y1023 R1025 R1046 S1081Y1023-E1079 PolarHBondContact O-N 3.41Å; Y1023-E1079 VanDerWaalsContact O-N 3.07Å; R1025-E1079 HydrophobicContact CB-CG 4.41Å; R1025-E1079 IonicContact CZ-OE1 2.75Å; R1025-E1079 IonicContact NE-OE1 2.79Å; R1025-E1079 PolarHBondContact NE-OE1 3.3Å; R1025-E1079 VanDerWaalsContact NE-OE1 3.15Å; R1025-E1079 IonicContact NH2-OE1 2.73Å; R1025-E1079 PolarHBondContact NH2-OE1 3.14Å; R1046-E1079 IonicContact CZ-OE2 3.55Å; R1046-E1079 IonicContact NE-OE1 2.86Å; R1046-E1079 PolarHBondContact NE-OE1 3.09Å; R1046-E1079 IonicContact NE-OE2 2.73Å; R1046-E1079 PolarHBondContact NE-OE2 2.82Å; R1046-E1079 IonicContact NH2-OE2 3.47Å; R1046-E1079 PolarHBondContact NH2-OE2 3.06Å; E1079-S1081 PolarHBondContact O-N 2.74Å
1080L73.3Confident84.6Confident169 Ų16976.8 Ų76.889%0.88547%0.47SS*.PPolyproline II helixtrans-69.5124165.5-68.4169.7000107.5R1078 G1082R1078-L1080 PolarHBondContact O-N 3.02Å; L1080-G1082 PolarHBondContact O-N 3.11Å
1081S58.4Low83.8Confident123 Ų12378.2 Ų78.286%0.8649%0.486SS*.  trans-67.1109.6169.750.20000109E1079E1079-S1081 PolarHBondContact O-N 2.74Å
1082G38.1Very low82.9Confident150 Ų15085.3 Ų85.3100%1.54653%0.531SS*.  trans-80.40165.600000112.3L1080L1080-G1082 PolarHBondContact O-N 3.11Å

Retrieved 1,082 of 1,082 residues in 1320.6 ms (Link to these results)

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