A0A077ZMC0_TRITR Loading...

MgsA C and AAA domain containing protein

Functions as a modulator for initiation or reinitiation events during DNA polymerase delta-mediated DNA synthesis. Has an intrinsic ATPase activity that functions as a sensor of DNA damage or of arrested replication forks and regulates the extent of DNA synthesis.

AlphaFold DB , UniProt , Accession A0A077ZMC0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 425 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
1M48.3Very low87.7Confident240 Ų24072.6 Ų72.6100%1.18235%0.351SS*.  0123.90-162.1174.2-169.500107.2Q3M1-Q3 PolarHBondContact O-N 3.44Å
2Q75.5Confident88.1Confident130 Ų13077.4 Ų77.461%0.60736%0.362SS*.PPolyproline II helixtrans-66.7129.7179.2-162.8178.730.500108.7
3Q89.3Confident88.6Confident103 Ų10375.1 Ų75.148%0.48135%0.354SS..PPolyproline II helixtrans-69.7138.8179.8-71.5174.9-15.800110.3M1 Y7 R8M1-Q3 PolarHBondContact O-N 3.44Å; Q3-Y7 HydrophobicContact CB-CD1 4Å; Q3-Y7 VanDerWaalsContact CD-CD1 3.48Å; Q3-Y7 HydrophobicContact CG-CD1 4.05Å; Q3-Y7 HydrophobicContact CG-CE1 4.33Å; Q3-Y7 VanDerWaalsContact OE1-CD1 3.25Å; Q3-Y7 VanDerWaalsContact OE1-CE1 3.24Å; Q3-R8 HydrophobicContact CB-CG 3.94Å; Q3-R8 PolarHBondContact O-NE 2.87Å; Q3-R8 VanDerWaalsContact O-NE 3.09Å
4P92.9Very high88.9Confident69 Ų6969.9 Ų69.945%0.44833%0.329SS..PPolyproline II helixtrans-57.5150.2175.5-23.733.1000112.5A6 Y7 R8 E201P4-A6 VanDerWaalsContact C-N 3.28Å; P4-A6 PolarHBondContact O-N 3.34Å; P4-Y7 WeakPolarHBondContact O-CA 3.28Å; P4-Y7 WeakPolarHBondContact O-CB 3.5Å; P4-Y7 PolarHBondContact O-N 2.82Å; P4-R8 PolarHBondContact O-N 2.85Å; P4-R8 VanDerWaalsContact O-N 3.1Å; P4-E201 WeakPolarHBondContact CA-OE2 3.48Å
5L95.1Very high89.3Confident0 Ų073.5 Ų73.50%035%0.352CS..Hα-helixtrans-55.1-43.4-179.9-177.965.6000111.8Y7 R8 M9 A162 L170 L197 L200 E201L5-Y7 PolarHBondContact O-N 3.23Å; L5-Y7 VanDerWaalsContact O-N 3.14Å; L5-R8 PolarHBondContact O-N 3.12Å; L5-R8 VanDerWaalsContact O-N 3.08Å; L5-M9 HydrophobicContact CD1-CG 3.57Å; L5-M9 HydrophobicContact CD1-SD 4.26Å; L5-M9 HydrophobicContact CG-CG 3.92Å; L5-M9 WeakPolarHBondContact O-CB 3.25Å; L5-M9 WeakPolarHBondContact O-CG 3.41Å; L5-M9 PolarHBondContact O-N 2.88Å; L5-A162 HydrophobicContact CD2-CB 4.29Å; L5-L170 HydrophobicContact CD1-CD2 4.4Å; L5-L170 HydrophobicContact CD1-CG 4.08Å; L5-L170 HydrophobicContact CD2-CD1 3.74Å; L5-L170 HydrophobicContact CD2-CG 3.96Å; L5-L197 HydrophobicContact CD2-CB 4.21Å; L5-L197 HydrophobicContact CD2-CD2 4.09Å; L5-L197 WeakPolarHBondContact CD2-O 3.42Å; L5-L197 HydrophobicContact CG-CB 4.33Å; L5-L197 HydrophobicContact CG-CD2 4.46Å; L5-L200 HydrophobicContact CD2-CD2 4.16Å; L5-E201 HydrophobicContact CB-CB 3.8Å; L5-E201 HydrophobicContact CB-CG 4.12Å; L5-E201 WeakPolarHBondContact CB-OE2 3.38Å; L5-E201 HydrophobicContact CD2-CB 4.03Å; L5-E201 PolarHBondContact N-OE1 3.09Å; L5-E201 PolarHBondContact N-OE2 3.37Å
6A92.7Very high89.6Confident19 Ų1972.1 Ų72.116%0.15734%0.344CS..Hα-helixtrans-60.7-24.5177.400000114P4 R194 L197P4-A6 VanDerWaalsContact C-N 3.28Å; P4-A6 PolarHBondContact O-N 3.34Å; A6-R194 HydrophobicContact CB-CB 4.43Å; A6-R194 HydrophobicContact CB-CG 3.85Å; A6-L197 HydrophobicContact CB-CB 4.09Å; A6-L197 HydrophobicContact CB-CD1 4.31Å
7Y92.8Very high89.9Confident93 Ų9368.4 Ų68.437%0.36533%0.328SS..Hα-helixtrans-81.1-44.9172.6-176.4-84.3000111.2Q3 P4 L5 M9 R10Q3-Y7 HydrophobicContact CB-CD1 4Å; Q3-Y7 VanDerWaalsContact CD-CD1 3.48Å; Q3-Y7 HydrophobicContact CG-CD1 4.05Å; Q3-Y7 HydrophobicContact CG-CE1 4.33Å; Q3-Y7 VanDerWaalsContact OE1-CD1 3.25Å; Q3-Y7 VanDerWaalsContact OE1-CE1 3.24Å; P4-Y7 WeakPolarHBondContact O-CA 3.28Å; P4-Y7 WeakPolarHBondContact O-CB 3.5Å; P4-Y7 PolarHBondContact O-N 2.82Å; L5-Y7 PolarHBondContact O-N 3.23Å; L5-Y7 VanDerWaalsContact O-N 3.14Å; Y7-M9 VanDerWaalsContact C-N 3.35Å; Y7-M9 PolarHBondContact O-N 3.1Å; Y7-R10 VanDerWaalsContact CD2-CZ 3.49Å; Y7-R10 WeakPolarHBondContact O-CB 3.14Å; Y7-R10 WeakPolarHBondContact O-CG 3.33Å; Y7-R10 PolarHBondContact O-N 3.48Å
8R94.6Very high90.1Very high46 Ų4666.6 Ų66.617%0.17432%0.322CS..Hα-helixtrans-64-38.4-179.1-64.3-174.5-76.3132.4-4.5112.6Q3 P4 L5 R10 R168 G169 E201Q3-R8 HydrophobicContact CB-CG 3.94Å; Q3-R8 PolarHBondContact O-NE 2.87Å; Q3-R8 VanDerWaalsContact O-NE 3.09Å; P4-R8 PolarHBondContact O-N 2.85Å; P4-R8 VanDerWaalsContact O-N 3.1Å; L5-R8 PolarHBondContact O-N 3.12Å; L5-R8 VanDerWaalsContact O-N 3.08Å; R8-R10 PolarHBondContact O-N 2.76Å; R8-R168 HydrophobicContact CB-CB 4.4Å; R8-R168 WeakPolarHBondContact CB-O 3.45Å; R8-R168 PolarHBondContact NH1-O 3.2Å; R8-R168 PolarHBondContact O-NH1 3.05Å; R8-G169 PolarHBondContact NH1-O 2.77Å; R8-E201 IonicContact CZ-OE1 2.65Å; R8-E201 IonicContact NH2-OE1 3.81Å; R8-E201 PolarHBondContact NH2-OE1 2.76Å
9M95.3Very high90.3Very high32 Ų3263.3 Ų63.316%0.15831%0.306CS..THydrogen-bonded Turntrans-81.212.3179.6-64.4-55.6-59.800114L5 Y7 A162 D165 R168 G169 L197L5-M9 HydrophobicContact CD1-CG 3.57Å; L5-M9 HydrophobicContact CD1-SD 4.26Å; L5-M9 HydrophobicContact CG-CG 3.92Å; L5-M9 WeakPolarHBondContact O-CB 3.25Å; L5-M9 WeakPolarHBondContact O-CG 3.41Å; L5-M9 PolarHBondContact O-N 2.88Å; Y7-M9 VanDerWaalsContact C-N 3.35Å; Y7-M9 PolarHBondContact O-N 3.1Å; M9-A162 HydrophobicContact CE-CB 3.92Å; M9-A162 HydrophobicContact CG-CB 4.02Å; M9-A162 HydrophobicContact SD-CB 4.15Å; M9-D165 HydrophobicContact CE-CB 4.28Å; M9-D165 HydrophobicContact SD-CB 4.37Å; M9-R168 HydrophobicContact SD-CB 4.12Å; M9-G169 VanDerWaalsContact SD-CA 3.51Å; M9-L197 HydrophobicContact CB-CD1 4Å; M9-L197 HydrophobicContact CG-CD1 4.48Å
10R93.6Very high90.5Very high55 Ų5560.5 Ų60.521%0.20829%0.293CS..  trans-61.8137173.5-76.4177.9-175.7-178.61.6110.1Y7 R8 R12 R168Y7-R10 VanDerWaalsContact CD2-CZ 3.49Å; Y7-R10 WeakPolarHBondContact O-CB 3.14Å; Y7-R10 WeakPolarHBondContact O-CG 3.33Å; Y7-R10 PolarHBondContact O-N 3.48Å; R8-R10 PolarHBondContact O-N 2.76Å; R10-R12 PolarHBondContact O-N 3.44Å; R10-R168 PolarHBondContact O-NH1 2.87Å
11P94.5Very high90.6Very high12 Ų1262.6 Ų62.68%0.07830%0.302CS..  trans-63.5136.6-178.627-35.5000110.8E16 V17 S54 A58P11-E16 HydrophobicContact CB-CB 3.57Å; P11-V17 HydrophobicContact CB-CG2 3.99Å; P11-V17 HydrophobicContact CG-CG2 3.86Å; P11-S54 WeakPolarHBondContact CG-O 3.36Å; P11-A58 HydrophobicContact CB-CB 4.12Å; P11-A58 HydrophobicContact CG-CB 3.93Å
12R92.4Very high92.8Very high130 Ų13054.3 Ų54.349%0.49126%0.26SS..SBendtrans-83.5-23178.3-63.9177.5-65.7-170.2-0.2112.9R10 E16 G61R10-R12 PolarHBondContact O-N 3.44Å; R12-E16 IonicContact CZ-OE1 2.76Å; R12-E16 VanDerWaalsContact CZ-OE1 3.23Å; R12-E16 PolarHBondContact N-OE2 2.62Å; R12-E16 IonicContact NE-OE1 3.65Å; R12-E16 PolarHBondContact NE-OE1 3.09Å; R12-E16 IonicContact NE-OE2 3.84Å; R12-E16 IonicContact NH2-OE1 3.91Å; R12-E16 PolarHBondContact NH2-OE1 3.31Å; R12-G61 CarbonylContact O-C 3.47Å; R12-G61 WeakPolarHBondContact O-CA 3.33Å
13N94.2Very high93.8Very high47 Ų4748.5 Ų48.525%0.25123%0.234SC..SBendtrans-148.5170.2179.658.556.3000108.7D15 E16 A58 S62N13-D15 PolarHBondContact O-N 2.9Å; N13-D15 WeakPolarHBondContact OD1-CA 3.42Å; N13-D15 WeakPolarHBondContact OD1-CB 3.47Å; N13-D15 PolarHBondContact OD1-N 2.69Å; N13-E16 PolarHBondContact O-N 2.77Å; N13-E16 PolarHBondContact OD1-N 3.08Å; N13-A58 WeakPolarHBondContact O-CB 3.33Å; N13-S62 WeakPolarHBondContact CA-OG 3.35Å; N13-S62 WeakPolarHBondContact CB-OG 3.47Å
14L93.8Very high94.1Very high2 Ų243.7 Ų43.71%0.0121%0.211CC..G310 helixtrans-62.3-20.4-179.3-69.1-177.7000114.2V17 V24 I30 R31 V34 A58 I59 S62L14-V17 HydrophobicContact CD2-CG2 4.49Å; L14-V17 PolarHBondContact O-N 3.22Å; L14-V24 HydrophobicContact CD2-CB 4.28Å; L14-V24 HydrophobicContact CD2-CG1 3.89Å; L14-I30 HydrophobicContact CD2-CG2 4.36Å; L14-R31 PolarHBondContact O-NH2 3.31Å; L14-V34 HydrophobicContact CD1-CB 3.92Å; L14-V34 HydrophobicContact CD1-CG1 4.09Å; L14-V34 HydrophobicContact CD1-CG2 3.86Å; L14-A58 HydrophobicContact CD2-CB 3.98Å; L14-I59 HydrophobicContact CD2-CG1 3.87Å; L14-S62 PolarHBondContact N-OG 3.29Å
15D93.8Very high94.1Very high124 Ų12440.6 Ų40.666%0.66319%0.192SC*.G310 helixtrans-79.8-23.6179.5-52.6-41.5000112.3N13 V17 R31N13-D15 PolarHBondContact O-N 2.9Å; N13-D15 WeakPolarHBondContact OD1-CA 3.42Å; N13-D15 WeakPolarHBondContact OD1-CB 3.47Å; N13-D15 PolarHBondContact OD1-N 2.69Å; D15-V17 VanDerWaalsContact C-N 3.29Å; D15-R31 IonicContact OD1-CZ 3.47Å; D15-R31 IonicContact OD1-NH1 3.88Å; D15-R31 PolarHBondContact OD1-NH1 3.19Å; D15-R31 IonicContact OD1-NH2 3.37Å; D15-R31 PolarHBondContact OD1-NH2 2.92Å; D15-R31 IonicContact OD2-NH1 3.8Å
16E94.4Very high94Very high51 Ų5147.3 Ų47.324%0.23823%0.233CC..G310 helixtrans-82-5.7172.3-69-175.9-164.700112.9P11 R12 N13 V18 R168P11-E16 HydrophobicContact CB-CB 3.57Å; R12-E16 IonicContact CZ-OE1 2.76Å; R12-E16 VanDerWaalsContact CZ-OE1 3.23Å; R12-E16 PolarHBondContact N-OE2 2.62Å; R12-E16 IonicContact NE-OE1 3.65Å; R12-E16 PolarHBondContact NE-OE1 3.09Å; R12-E16 IonicContact NE-OE2 3.84Å; R12-E16 IonicContact NH2-OE1 3.91Å; R12-E16 PolarHBondContact NH2-OE1 3.31Å; N13-E16 PolarHBondContact O-N 2.77Å; N13-E16 PolarHBondContact OD1-N 3.08Å; E16-V18 PolarHBondContact O-N 3.38Å; E16-R168 IonicContact OE1-NH2 2.79Å; E16-R168 IonicContact OE2-CZ 3.44Å; E16-R168 IonicContact OE2-NH1 3.86Å; E16-R168 IonicContact OE2-NH2 3.17Å; E16-R168 PolarHBondContact OE2-NH2 2.92Å
17V95.3Very high94.1Very high10 Ų1048.5 Ų48.56%0.06125%0.247CC..  trans-71.4115.9179.7177.70000109.4P11 L14 D15 V24 I55 A58P11-V17 HydrophobicContact CB-CG2 3.99Å; P11-V17 HydrophobicContact CG-CG2 3.86Å; L14-V17 HydrophobicContact CD2-CG2 4.49Å; L14-V17 PolarHBondContact O-N 3.22Å; D15-V17 VanDerWaalsContact C-N 3.29Å; V17-V24 HydrophobicContact CB-CG2 4.06Å; V17-V24 HydrophobicContact CG1-CG2 3.9Å; V17-I55 HydrophobicContact CG1-CG1 4.21Å; V17-A58 HydrophobicContact CG2-CB 3.38Å
18V93.7Very high94.2Very high36 Ų3648.8 Ų48.822%0.21825%0.25CS..  trans-76.8131.2172.3176.10000109.7E16 L150 D154 A158E16-V18 PolarHBondContact O-N 3.38Å; V18-L150 WeakPolarHBondContact O-CD2 3.4Å; V18-D154 HydrophobicContact CG1-CB 3.68Å; V18-D154 WeakPolarHBondContact CG1-O 3.44Å; V18-A158 HydrophobicContact CB-CB 4.45Å; V18-A158 HydrophobicContact CG1-CB 4.16Å; V18-A158 HydrophobicContact CG2-CB 3.97Å
19G92.9Very high94.2Very high3 Ų349.9 Ų49.93%0.03126%0.259CS..SBendtrans65.1-159.7-175.900000114.5Q21 D154G19-Q21 PolarHBondContact O-N 3.47Å; G19-Q21 VanDerWaalsContact O-N 3.08Å; G19-Q21 PolarHBondContact O-NE2 3.16Å; G19-Q21 VanDerWaalsContact O-NE2 3.15Å; G19-D154 WeakPolarHBondContact CA-OD1 3.24Å; G19-D154 WeakPolarHBondContact CA-OD2 3.32Å; G19-D154 PolarHBondContact N-OD1 2.92Å; G19-D154 VanDerWaalsContact N-OD1 3.07Å
20Q94.2Very high94.2Very high8 Ų848.3 Ų48.34%0.03725%0.251CS..  trans56.527.3177.8-46.9-56.2-45.800114.3H22 L23 V24 I55 V147 K148Q20-H22 PolarHBondContact O-N 3.28Å; Q20-H22 PolarHBondContact OE1-CE1 3.23Å; Q20-L23 PolarHBondContact O-N 3.41Å; Q20-V24 PolarHBondContact O-N 2.98Å; Q20-V24 VanDerWaalsContact O-N 3.1Å; Q20-I55 HydrophobicContact CB-CD1 4.26Å; Q20-I55 HydrophobicContact CG-CD1 3.97Å; Q20-V147 VanDerWaalsContact CD-CG1 3.43Å; Q20-V147 HydrophobicContact CG-CG1 4.03Å; Q20-K148 PolarHBondContact NE2-O 3.34Å
21Q93.8Very high94.3Very high104 Ų10447 Ų4749%0.48625%0.247SC..Hα-helixtrans-62.5-14.5-176.7-62.7-56.4-38.700113G19 L23 G25 K28G19-Q21 PolarHBondContact O-N 3.47Å; G19-Q21 VanDerWaalsContact O-N 3.08Å; G19-Q21 PolarHBondContact O-NE2 3.16Å; G19-Q21 VanDerWaalsContact O-NE2 3.15Å; Q21-L23 VanDerWaalsContact C-N 3.27Å; Q21-L23 PolarHBondContact O-N 2.77Å; Q21-G25 WeakPolarHBondContact O-CA 3.33Å; Q21-G25 PolarHBondContact O-N 3.45Å; Q21-G25 VanDerWaalsContact OE1-CA 3.26Å; Q21-K28 VanDerWaalsContact O-CG 3.32Å; Q21-K28 WeakPolarHBondContact O-CG 3.2Å
22H94.9Very high94.4Very high66 Ų6654.1 Ų54.131%0.30627%0.272SS..Hα-helixtrans-71.4-18.517063.2-70.8000113.9Q20 E146Q20-H22 PolarHBondContact O-N 3.28Å; Q20-H22 PolarHBondContact OE1-CE1 3.23Å; H22-E146 PolarHBondContact NE2-O 3.26Å; H22-E146 VanDerWaalsContact NE2-O 3.1Å
23L95.7Very high94.4Very high9 Ų948.6 Ų48.65%0.04725%0.252CS..Hα-helixtrans-107.4-48.7178.5-64.4176.6000112.6Q20 Q21 K28 I29 I30 R31 F145 V147Q20-L23 PolarHBondContact O-N 3.41Å; Q21-L23 VanDerWaalsContact C-N 3.27Å; Q21-L23 PolarHBondContact O-N 2.77Å; L23-K28 CarbonylContact O-C 3.54Å; L23-K28 VanDerWaalsContact O-CB 3.26Å; L23-K28 WeakPolarHBondContact O-CB 3.37Å; L23-I29 HydrophobicContact CD2-CG2 3.87Å; L23-I30 HydrophobicContact CB-CD1 3.88Å; L23-I30 HydrophobicContact CB-CG1 4.13Å; L23-I30 HydrophobicContact CD1-CD1 4.17Å; L23-I30 HydrophobicContact CG-CD1 4.4Å; L23-I30 WeakPolarHBondContact O-CB 3.39Å; L23-I30 PolarHBondContact O-N 3.46Å; L23-R31 PolarHBondContact O-N 2.72Å; L23-F145 HydrophobicContact CD1-CB 4.14Å; L23-F145 HydrophobicContact CD2-CB 3.95Å; L23-F145 HydrophobicContact CD2-CD1 3.9Å; L23-F145 HydrophobicContact CD2-CG 4.07Å; L23-V147 HydrophobicContact CD1-CG2 4.42Å
24V95.5Very high94.4Very high1 Ų146.9 Ų46.91%0.00624%0.243CC..Hα-helixtrans-104.7-10.1-169.1-56.70000114.4L14 V17 Q20 I30 R31 I55L14-V24 HydrophobicContact CD2-CB 4.28Å; L14-V24 HydrophobicContact CD2-CG1 3.89Å; V17-V24 HydrophobicContact CB-CG2 4.06Å; V17-V24 HydrophobicContact CG1-CG2 3.9Å; Q20-V24 PolarHBondContact O-N 2.98Å; Q20-V24 VanDerWaalsContact O-N 3.1Å; V24-I30 HydrophobicContact CG1-CB 4.46Å; V24-I30 HydrophobicContact CG1-CG2 4.37Å; V24-R31 PolarHBondContact O-NE 3.03Å; V24-R31 PolarHBondContact O-NH2 3.21Å; V24-I55 HydrophobicContact CG1-CG2 4.4Å
25G93.9Very high94.3Very high5 Ų551.8 Ų51.85%0.05227%0.269CS..SBendtrans-64.9167.8177.500000112.7Q21 G27 K28 R31Q21-G25 WeakPolarHBondContact O-CA 3.33Å; Q21-G25 PolarHBondContact O-N 3.45Å; Q21-G25 VanDerWaalsContact OE1-CA 3.26Å; G25-G27 PolarHBondContact O-N 2.93Å; G25-K28 VanDerWaalsContact O-CB 3.23Å; G25-K28 WeakPolarHBondContact O-CB 3.4Å; G25-K28 WeakPolarHBondContact O-CG 3.41Å; G25-K28 PolarHBondContact O-N 3.15Å; G25-R31 VanDerWaalsContact O-CB 3.31Å; G25-R31 WeakPolarHBondContact O-CB 3.09Å
26T93Very high94.3Very high140 Ų14048.4 Ų48.486%0.85926%0.258SS*.THydrogen-bonded Turntrans-54.4127.6-178.9-55.20000111.6K28T26-K28 PolarHBondContact O-N 2.99Å
27G93.3Very high94Very high44 Ų4454 Ų5445%0.45428%0.282SS..THydrogen-bonded Turntrans72.29.7179.700000115.2G25 R32G25-G27 PolarHBondContact O-N 2.93Å; G27-R32 VanDerWaalsContact O-CD 3.23Å; G27-R32 WeakPolarHBondContact O-CD 3.47Å
28K95.8Very high93.8Very high99 Ų9960.3 Ų60.343%0.4331%0.312SS..  trans-92.4166.1178.7-57.8-68.8-175.9-178.50112.4Q21 L23 G25 T26 I30 R31 R32Q21-K28 VanDerWaalsContact O-CG 3.32Å; Q21-K28 WeakPolarHBondContact O-CG 3.2Å; L23-K28 CarbonylContact O-C 3.54Å; L23-K28 VanDerWaalsContact O-CB 3.26Å; L23-K28 WeakPolarHBondContact O-CB 3.37Å; G25-K28 VanDerWaalsContact O-CB 3.23Å; G25-K28 WeakPolarHBondContact O-CB 3.4Å; G25-K28 WeakPolarHBondContact O-CG 3.41Å; G25-K28 PolarHBondContact O-N 3.15Å; T26-K28 PolarHBondContact O-N 2.99Å; K28-I30 PolarHBondContact O-N 3.08Å; K28-R31 PolarHBondContact O-N 3.16Å; K28-R32 WeakPolarHBondContact O-CB 3.49Å; K28-R32 VanDerWaalsContact O-CG 3.25Å; K28-R32 WeakPolarHBondContact O-CG 3.38Å; K28-R32 PolarHBondContact O-N 3.37Å
29I94.8Very high93.7Very high69 Ų6959.3 Ų59.335%0.35431%0.306SS..Hα-helixtrans-58.9-47.6-161.6-17257.5000113.7L23 M33 F145L23-I29 HydrophobicContact CD2-CG2 3.87Å; I29-M33 HydrophobicContact CD1-CE 3.86Å; I29-M33 HydrophobicContact CG1-CE 3.81Å; I29-M33 WeakPolarHBondContact O-CG 3.29Å; I29-M33 PolarHBondContact O-N 3.41Å; I29-M33 VanDerWaalsContact O-N 3.12Å; I29-F145 HydrophobicContact CB-CE1 4.34Å; I29-F145 HydrophobicContact CG1-CE1 3.79Å; I29-F145 HydrophobicContact CG1-CZ 3.73Å; I29-F145 HydrophobicContact CG2-CD1 4.08Å; I29-F145 HydrophobicContact CG2-CE1 3.59Å; I29-F145 HydrophobicContact CG2-CZ 4.02Å
30I95.4Very high93.7Very high0 Ų061 Ų610%032%0.317CS..Hα-helixtrans-69.6-43.8179.5-62.8-172.8000110L14 L23 V24 K28 R32 M33 V34 M42 L44 I55 I59 F145L14-I30 HydrophobicContact CD2-CG2 4.36Å; L23-I30 HydrophobicContact CB-CD1 3.88Å; L23-I30 HydrophobicContact CB-CG1 4.13Å; L23-I30 HydrophobicContact CD1-CD1 4.17Å; L23-I30 HydrophobicContact CG-CD1 4.4Å; L23-I30 WeakPolarHBondContact O-CB 3.39Å; L23-I30 PolarHBondContact O-N 3.46Å; V24-I30 HydrophobicContact CG1-CB 4.46Å; V24-I30 HydrophobicContact CG1-CG2 4.37Å; K28-I30 PolarHBondContact O-N 3.08Å; I30-R32 PolarHBondContact O-N 3.46Å; I30-M33 WeakPolarHBondContact O-CB 3.47Å; I30-M33 PolarHBondContact O-N 3.02Å; I30-V34 PolarHBondContact O-N 2.82Å; I30-M42 HydrophobicContact CD1-SD 4.24Å; I30-L44 HydrophobicContact CD1-CD2 4.23Å; I30-I55 HydrophobicContact CD1-CG2 4.08Å; I30-I59 HydrophobicContact CG2-CD1 3.68Å; I30-I59 HydrophobicContact CG2-CG1 3.82Å; I30-F145 HydrophobicContact CD1-CD2 4.14Å; I30-F145 HydrophobicContact CG1-CD2 4.21Å; I30-F145 HydrophobicContact CG1-CE2 4.2Å
31R95.3Very high93.7Very high28 Ų2860.9 Ų60.911%0.10632%0.317CS..Hα-helixtrans-55.4-49.7176.3-178.460.864.3153.713.5111.8L14 D15 L23 V24 G25 K28 M33 V34 D35L14-R31 PolarHBondContact O-NH2 3.31Å; D15-R31 IonicContact OD1-CZ 3.47Å; D15-R31 IonicContact OD1-NH1 3.88Å; D15-R31 PolarHBondContact OD1-NH1 3.19Å; D15-R31 IonicContact OD1-NH2 3.37Å; D15-R31 PolarHBondContact OD1-NH2 2.92Å; D15-R31 IonicContact OD2-NH1 3.8Å; L23-R31 PolarHBondContact O-N 2.72Å; V24-R31 PolarHBondContact O-NE 3.03Å; V24-R31 PolarHBondContact O-NH2 3.21Å; G25-R31 VanDerWaalsContact O-CB 3.31Å; G25-R31 WeakPolarHBondContact O-CB 3.09Å; K28-R31 PolarHBondContact O-N 3.16Å; R31-M33 VanDerWaalsContact C-N 3.31Å; R31-M33 PolarHBondContact O-N 3.16Å; R31-V34 PolarHBondContact O-N 2.81Å; R31-D35 WeakPolarHBondContact CD-OD2 3.45Å; R31-D35 WeakPolarHBondContact CG-OD2 3.36Å; R31-D35 WeakPolarHBondContact O-CB 3.4Å; R31-D35 PolarHBondContact O-N 2.92Å
32R95.5Very high93.9Very high160 Ų16056 Ų5660%0.60429%0.294SS*.Hα-helixtrans-59.1-39.9177.6-71.6174.772.2101.23.9112.6G27 K28 I30 A36G27-R32 VanDerWaalsContact O-CD 3.23Å; G27-R32 WeakPolarHBondContact O-CD 3.47Å; K28-R32 WeakPolarHBondContact O-CB 3.49Å; K28-R32 VanDerWaalsContact O-CG 3.25Å; K28-R32 WeakPolarHBondContact O-CG 3.38Å; K28-R32 PolarHBondContact O-N 3.37Å; I30-R32 PolarHBondContact O-N 3.46Å; R32-A36 WeakPolarHBondContact O-CB 3.42Å; R32-A36 PolarHBondContact O-N 3.08Å
33M93.7Very high94Very high14 Ų1452.9 Ų52.97%0.06928%0.28CS..Hα-helixtrans-63.6-43.9176.8-73.8175-176.600112.1I29 I30 R31 K37 M38 L39 M42 Q143 F145I29-M33 HydrophobicContact CD1-CE 3.86Å; I29-M33 HydrophobicContact CG1-CE 3.81Å; I29-M33 WeakPolarHBondContact O-CG 3.29Å; I29-M33 PolarHBondContact O-N 3.41Å; I29-M33 VanDerWaalsContact O-N 3.12Å; I30-M33 WeakPolarHBondContact O-CB 3.47Å; I30-M33 PolarHBondContact O-N 3.02Å; R31-M33 VanDerWaalsContact C-N 3.31Å; R31-M33 PolarHBondContact O-N 3.16Å; M33-K37 PolarHBondContact O-N 2.69Å; M33-K37 VanDerWaalsContact O-N 3.17Å; M33-M38 PolarHBondContact O-N 2.89Å; M33-L39 HydrophobicContact CB-CD1 4.17Å; M33-M42 HydrophobicContact SD-CE 4.02Å; M33-Q143 HydrophobicContact CE-CG 4.45Å; M33-F145 HydrophobicContact CE-CE2 4.31Å; M33-F145 HydrophobicContact CE-CZ 3.85Å
34V93.1Very high94.1Very high11 Ų1152.4 Ų52.47%0.06728%0.278CS..Hα-helixtrans-66.9-51179171.20000110.3L14 I30 R31 A36 K37 L39 I59 T63L14-V34 HydrophobicContact CD1-CB 3.92Å; L14-V34 HydrophobicContact CD1-CG1 4.09Å; L14-V34 HydrophobicContact CD1-CG2 3.86Å; I30-V34 PolarHBondContact O-N 2.82Å; R31-V34 PolarHBondContact O-N 2.81Å; V34-A36 VanDerWaalsContact C-N 3.3Å; V34-A36 PolarHBondContact O-N 3.25Å; V34-K37 PolarHBondContact O-N 3.37Å; V34-L39 HydrophobicContact CG2-CD1 4.12Å; V34-I59 HydrophobicContact CG2-CG1 4.33Å; V34-I59 HydrophobicContact CG2-CG2 4.04Å; V34-T63 HydrophobicContact CG1-CG2 4.19Å
35D92.6Very high94.1Very high105 Ų10554.6 Ų54.656%0.56129%0.286SS*.Hα-helixtrans-61-39.8-179.1-63.6-13.5000111.8R31 K37R31-D35 WeakPolarHBondContact CD-OD2 3.45Å; R31-D35 WeakPolarHBondContact CG-OD2 3.36Å; R31-D35 WeakPolarHBondContact O-CB 3.4Å; R31-D35 PolarHBondContact O-N 2.92Å; D35-K37 VanDerWaalsContact C-N 3.26Å; D35-K37 PolarHBondContact O-N 3.29Å
36A92.7Very high93.9Very high53 Ų5354.7 Ų54.744%0.43829%0.287SS..THydrogen-bonded Turntrans-80.8-1.6177.700000113.9R32 V34 M38R32-A36 WeakPolarHBondContact O-CB 3.42Å; R32-A36 PolarHBondContact O-N 3.08Å; V34-A36 VanDerWaalsContact C-N 3.3Å; V34-A36 PolarHBondContact O-N 3.25Å; A36-M38 HydrophobicContact CB-CE 3.81Å; A36-M38 HydrophobicContact CB-CG 4.33Å; A36-M38 WeakPolarHBondContact O-CG 3.45Å; A36-M38 PolarHBondContact O-N 2.88Å
37K88.8Confident93.5Very high170 Ų17050.8 Ų50.874%0.73926%0.264SS*.THydrogen-bonded Turntrans52.534.6-173.8-56.7-179.4179.61790113.2M33 V34 D35M33-K37 PolarHBondContact O-N 2.69Å; M33-K37 VanDerWaalsContact O-N 3.17Å; V34-K37 PolarHBondContact O-N 3.37Å; D35-K37 VanDerWaalsContact C-N 3.26Å; D35-K37 PolarHBondContact O-N 3.29Å
38M90.6Very high93.2Very high141 Ų14152.4 Ų52.470%0.69527%0.266SS*.  trans-116.443.1178-65.5-167.1-61.700110.4M33 A36 S40M33-M38 PolarHBondContact O-N 2.89Å; A36-M38 HydrophobicContact CB-CE 3.81Å; A36-M38 HydrophobicContact CB-CG 4.33Å; A36-M38 WeakPolarHBondContact O-CG 3.45Å; A36-M38 PolarHBondContact O-N 2.88Å; M38-S40 PolarHBondContact O-N 3.41Å
39L91.5Very high92.6Very high16 Ų1648.1 Ų48.18%0.08425%0.251CS..  trans-65.1126.8178.6-168.772.1000109.3M33 V34 M42 I59 I94 I121M33-L39 HydrophobicContact CB-CD1 4.17Å; V34-L39 HydrophobicContact CG2-CD1 4.12Å; L39-M42 HydrophobicContact CD1-CE 3.56Å; L39-M42 HydrophobicContact CG-CE 4.38Å; L39-I59 HydrophobicContact CD1-CG2 3.85Å; L39-I59 HydrophobicContact CD2-CG2 3.39Å; L39-I59 HydrophobicContact CG-CG2 4.28Å; L39-I94 HydrophobicContact CD2-CD1 3.69Å; L39-I94 HydrophobicContact CD2-CG1 4.12Å; L39-I121 HydrophobicContact CB-CD1 4.13Å; L39-I121 HydrophobicContact CD2-CD1 4.28Å; L39-I121 HydrophobicContact CD2-CG2 3.82Å; L39-I121 HydrophobicContact CG-CD1 4.45Å; L39-I121 HydrophobicContact CG-CG2 3.92Å; L39-I121 WeakPolarHBondContact O-CD1 3.37Å
40S92.6Very high92.3Very high37 Ų3745 Ų4526%0.25924%0.235SC..  trans-113.6156.5177.158.80000109.8M38 M42 Q143M38-S40 PolarHBondContact O-N 3.41Å; S40-M42 VanDerWaalsContact O-CE 3.31Å; S40-M42 WeakPolarHBondContact O-CE 3.17Å; S40-Q143 PolarHBondContact OG-NE2 3.01Å
41S96.2Very high92.1Very high7 Ų745.8 Ų45.85%0.04924%0.243CC..  trans-57.5141.8175.7-62.90000110.3M122 T142 Q143S41-M122 CarbonylContact C-O 3.55Å; S41-M122 WeakPolarHBondContact CA-O 3.39Å; S41-M122 WeakPolarHBondContact CB-O 3.17Å; S41-M122 PolarHBondContact OG-N 3.19Å; S41-T142 CarbonylContact O-C 3.51Å; S41-T142 VanDerWaalsContact O-CA 3.23Å; S41-T142 WeakPolarHBondContact O-CA 3.33Å; S41-Q143 PolarHBondContact O-N 3.1Å
42M97.2Very high92.1Very high0 Ų045.2 Ų45.20%024%0.241CC..EExtended strand (participates in β ladder)trans-147.6160.6-174.766.3-17472.300112.5I30 M33 L39 S40 L44 I59 M122 I123 G124 Q143 F145I30-M42 HydrophobicContact CD1-SD 4.24Å; M33-M42 HydrophobicContact SD-CE 4.02Å; L39-M42 HydrophobicContact CD1-CE 3.56Å; L39-M42 HydrophobicContact CG-CE 4.38Å; S40-M42 VanDerWaalsContact O-CE 3.31Å; S40-M42 WeakPolarHBondContact O-CE 3.17Å; M42-L44 HydrophobicContact SD-CD2 4.15Å; M42-I59 HydrophobicContact CE-CD1 4.47Å; M42-I59 HydrophobicContact SD-CD1 4.13Å; M42-M122 PolarHBondContact N-O 3.01Å; M42-I123 HydrophobicContact CG-CB 4.45Å; M42-I123 HydrophobicContact CG-CG1 4.15Å; M42-I123 HydrophobicContact CG-CG2 4.13Å; M42-I123 CarbonylContact O-C 3.48Å; M42-I123 WeakPolarHBondContact O-CA 3.48Å; M42-G124 PolarHBondContact O-N 2.99Å; M42-Q143 CarbonylContact C-O 3.59Å; M42-Q143 WeakPolarHBondContact CA-O 3.5Å; M42-Q143 HydrophobicContact CB-CB 4.36Å; M42-Q143 WeakPolarHBondContact CB-O 3.39Å; M42-F145 HydrophobicContact CB-CD2 4.05Å; M42-F145 HydrophobicContact CB-CE2 4.02Å; M42-F145 HydrophobicContact CE-CE2 4.28Å; M42-F145 HydrophobicContact CG-CD2 4.48Å; M42-F145 HydrophobicContact SD-CD2 3.93Å; M42-F145 HydrophobicContact SD-CE2 3.99Å
43I97.2Very high91.8Very high1 Ų138.1 Ų38.11%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-117.5120.7171.5-55.1-62.8000107.7V100 M122 G124 T126 P130 T142 Q143 I144 F145I43-V100 HydrophobicContact CD1-CG1 4.15Å; I43-V100 HydrophobicContact CD1-CG2 4.22Å; I43-V100 HydrophobicContact CG2-CG1 4.41Å; I43-M122 HydrophobicContact CD1-CE 3.84Å; I43-G124 CarbonylContact C-O 3.26Å; I43-G124 WeakPolarHBondContact CA-O 3.49Å; I43-T126 HydrophobicContact CG2-CG2 4.04Å; I43-P130 HydrophobicContact CG2-CB 4.13Å; I43-T142 HydrophobicContact CD1-CG2 4.33Å; I43-T142 HydrophobicContact CG1-CG2 4.29Å; I43-Q143 PolarHBondContact N-O 3.12Å; I43-I144 HydrophobicContact CB-CG1 4.4Å; I43-F145 PolarHBondContact O-N 2.83Å
44L97.5Very high91.8Very high0 Ų038.9 Ų38.90%022%0.223CC..EExtended strand (participates in β ladder)trans-95.1118.5170-56.4-177.7000108.1I30 M42 K52 I55 I123 G124 A125 T126 F145 V147I30-L44 HydrophobicContact CD1-CD2 4.23Å; M42-L44 HydrophobicContact SD-CD2 4.15Å; L44-K52 HydrophobicContact CB-CB 4.23Å; L44-K52 HydrophobicContact CB-CG 4.16Å; L44-K52 WeakPolarHBondContact CD1-O 3.34Å; L44-K52 WeakPolarHBondContact O-CD 3.4Å; L44-I55 HydrophobicContact CD1-CB 3.91Å; L44-I55 HydrophobicContact CD1-CG2 3.8Å; L44-I123 HydrophobicContact CD1-CG2 3.81Å; L44-I123 HydrophobicContact CG-CG2 4Å; L44-G124 PolarHBondContact N-O 3.32Å; L44-A125 WeakPolarHBondContact O-CA 3.4Å; L44-T126 PolarHBondContact O-N 3.04Å; L44-T126 VanDerWaalsContact O-N 3.08Å; L44-F145 WeakPolarHBondContact CA-O 3.26Å; L44-F145 HydrophobicContact CD2-CB 3.9Å; L44-F145 HydrophobicContact CD2-CD2 4.24Å; L44-V147 HydrophobicContact CB-CG2 4.06Å; L44-V147 HydrophobicContact CD2-CG2 4.46Å
45Y95.5Very high91.9Very high46 Ų4638.4 Ų38.418%0.1822%0.22CC..EExtended strand (participates in β ladder)trans-125.4152.5178.481.5-75.1000111.9T126 P130 I144 F145 E146 V147Y45-T126 VanDerWaalsContact CA-O 3.3Å; Y45-T126 WeakPolarHBondContact CA-O 3.43Å; Y45-P130 HydrophobicContact CD1-CG 3.81Å; Y45-P130 VanDerWaalsContact CD2-CD 3.49Å; Y45-P130 HydrophobicContact CD2-CG 4.2Å; Y45-P130 HydrophobicContact CE1-CG 4.27Å; Y45-P130 HydrophobicContact CG-CG 3.77Å; Y45-I144 HydrophobicContact CD1-CG2 3.56Å; Y45-I144 HydrophobicContact CE1-CG2 3.51Å; Y45-F145 VanDerWaalsContact CD1-O 3.25Å; Y45-F145 WeakPolarHBondContact CD1-O 3.34Å; Y45-F145 PolarHBondContact N-O 3.04Å; Y45-E146 HydrophobicContact CD1-CB 4.32Å; Y45-E146 HydrophobicContact CE1-CB 3.56Å; Y45-E146 HydrophobicContact CE1-CG 4.09Å; Y45-E146 HydrophobicContact CE2-CB 4.4Å; Y45-E146 HydrophobicContact CE2-CG 4.03Å; Y45-E146 WeakPolarHBondContact O-CA 3.44Å; Y45-V147 PolarHBondContact O-N 3.06Å
46G90.1Very high91.9Very high7 Ų733.4 Ų33.47%0.07219%0.193CC..SBendtrans148.2179179.400000112.4K52 T126 T127G46-K52 PolarHBondContact O-NZ 2.9Å; G46-T126 PolarHBondContact N-O 2.93Å; G46-T127 WeakPolarHBondContact O-CA 3.48Å
47P85.1Confident91.8Very high59 Ų5931.8 Ų31.838%0.38318%0.179SC..SBendtrans-55.2155.7-175-25.735.3000113.8T50 K52 P149P47-T50 HydrophobicContact CB-CG2 3.89Å; P47-T50 HydrophobicContact CG-CG2 4.4Å; P47-T50 WeakPolarHBondContact O-CG2 3.32Å; P47-T50 PolarHBondContact O-OG1 3.42Å; P47-K52 PolarHBondContact O-NZ 3.4Å; P47-P149 HydrophobicContact CG-CG 4.31Å
48P85.2Confident92Very high77 Ų7723.7 Ų23.750%0.514%0.143SC..THydrogen-bonded Turntrans-62.1149.8176.627.4-34.6000111.4T50 T127P48-T50 PolarHBondContact O-N 2.95Å; P48-T127 HydrophobicContact CB-CG2 4.2Å
49G85.1Confident92.1Very high10 Ų1017 Ų1710%0.10311%0.11CC..THydrogen-bonded Turntrans76-1.3174.700000116.6G51 N192 L193G49-G51 VanDerWaalsContact C-N 3.26Å; G49-G51 PolarHBondContact O-N 3.3Å; G49-N192 WeakPolarHBondContact CA-OD1 3.45Å; G49-L193 PolarHBondContact O-N 2.77Å
50T87.3Confident92Very high3 Ų316.7 Ų16.72%0.01811%0.11CC..SBendtrans-80.32.9-179.159.80000115.2P47 P48 V147 K148P47-T50 HydrophobicContact CB-CG2 3.89Å; P47-T50 HydrophobicContact CG-CG2 4.4Å; P47-T50 WeakPolarHBondContact O-CG2 3.32Å; P47-T50 PolarHBondContact O-OG1 3.42Å; P48-T50 PolarHBondContact O-N 2.95Å; T50-V147 VanDerWaalsContact O-CG1 3.28Å; T50-V147 WeakPolarHBondContact O-CG1 3.42Å; T50-V147 WeakPolarHBondContact OG1-CG1 3.48Å; T50-K148 WeakPolarHBondContact CB-O 3.39Å
51G92Very high91.8Very high17 Ų1717.4 Ų17.418%0.17512%0.124CC..SBendtrans99.31517400000116.7G49 T53 S54 I55G49-G51 VanDerWaalsContact C-N 3.26Å; G49-G51 PolarHBondContact O-N 3.3Å; G51-T53 PolarHBondContact O-N 2.9Å; G51-S54 CarbonylContact O-C 3.57Å; G51-S54 WeakPolarHBondContact O-CA 3.4Å; G51-S54 WeakPolarHBondContact O-CB 3.21Å; G51-S54 PolarHBondContact O-N 2.78Å; G51-I55 WeakPolarHBondContact O-CG1 3.08Å; G51-I55 PolarHBondContact O-N 2.77Å
52K94.2Very high91.5Very high15 Ų1519 Ų197%0.06514%0.135CC..Hα-helixtrans-49.8-55.9174.7-65-177.3-69.8-75.40113.2L44 G46 P47 S54 I55 A56 A125 T126 V147L44-K52 HydrophobicContact CB-CB 4.23Å; L44-K52 HydrophobicContact CB-CG 4.16Å; L44-K52 WeakPolarHBondContact CD1-O 3.34Å; L44-K52 WeakPolarHBondContact O-CD 3.4Å; G46-K52 PolarHBondContact O-NZ 2.9Å; P47-K52 PolarHBondContact O-NZ 3.4Å; K52-S54 VanDerWaalsContact C-N 3.27Å; K52-S54 PolarHBondContact O-N 3Å; K52-I55 PolarHBondContact O-N 3.28Å; K52-A56 PolarHBondContact O-N 3.08Å; K52-A125 HydrophobicContact CB-CB 4.13Å; K52-A125 HydrophobicContact CD-CB 4.41Å; K52-T126 VanDerWaalsContact CD-O 3.24Å; K52-T126 WeakPolarHBondContact CD-O 3.45Å; K52-T126 VanDerWaalsContact CE-O 3.26Å; K52-T126 WeakPolarHBondContact CE-O 3.46Å; K52-V147 HydrophobicContact CG-CB 4.11Å; K52-V147 HydrophobicContact CG-CG1 4.4Å; K52-V147 HydrophobicContact CG-CG2 3.9Å
53T90.7Very high91Very high12 Ų1220 Ų207%0.07414%0.141CC..Hα-helixtrans-62.2-36.8176.3-50.50000111.8G51 A56 S57 L96G51-T53 PolarHBondContact O-N 2.9Å; T53-A56 WeakPolarHBondContact O-CB 3.39Å; T53-A56 PolarHBondContact O-N 2.72Å; T53-S57 PolarHBondContact O-N 3.32Å; T53-S57 PolarHBondContact O-OG 2.91Å; T53-L96 HydrophobicContact CG2-CD2 3.7Å
54S92.8Very high90.4Very high30 Ų3028.3 Ų28.321%0.2119%0.185CC..Hα-helixtrans-64.7-45.4179-580000111.7P11 G51 K52 A56 S57 A58P11-S54 WeakPolarHBondContact CG-O 3.36Å; G51-S54 CarbonylContact O-C 3.57Å; G51-S54 WeakPolarHBondContact O-CA 3.4Å; G51-S54 WeakPolarHBondContact O-CB 3.21Å; G51-S54 PolarHBondContact O-N 2.78Å; K52-S54 VanDerWaalsContact C-N 3.27Å; K52-S54 PolarHBondContact O-N 3Å; S54-A56 VanDerWaalsContact C-N 3.3Å; S54-A56 PolarHBondContact O-N 3.27Å; S54-S57 PolarHBondContact O-N 3.41Å; S54-A58 WeakPolarHBondContact O-CB 3.48Å; S54-A58 PolarHBondContact O-N 3.42Å
55I95.1Very high89.8Confident1 Ų132.1 Ų32.11%0.00520%0.2CC..Hα-helixtrans-58.6-44174-68.7161.3000110.2V17 Q20 V24 I30 L44 G51 K52 S57 A58 I59 V147V17-I55 HydrophobicContact CG1-CG1 4.21Å; Q20-I55 HydrophobicContact CB-CD1 4.26Å; Q20-I55 HydrophobicContact CG-CD1 3.97Å; V24-I55 HydrophobicContact CG1-CG2 4.4Å; I30-I55 HydrophobicContact CD1-CG2 4.08Å; L44-I55 HydrophobicContact CD1-CB 3.91Å; L44-I55 HydrophobicContact CD1-CG2 3.8Å; G51-I55 WeakPolarHBondContact O-CG1 3.08Å; G51-I55 PolarHBondContact O-N 2.77Å; K52-I55 PolarHBondContact O-N 3.28Å; I55-S57 PolarHBondContact O-N 2.71Å; I55-A58 PolarHBondContact O-N 3.14Å; I55-I59 HydrophobicContact CG2-CD1 3.77Å; I55-I59 HydrophobicContact CG2-CG1 4.29Å; I55-I59 VanDerWaalsContact O-CG1 3.27Å; I55-I59 WeakPolarHBondContact O-CG1 3.49Å; I55-I59 PolarHBondContact O-N 2.86Å; I55-V147 HydrophobicContact CD1-CG1 4.12Å; I55-V147 HydrophobicContact CD1-CG2 3.86Å
56A92.1Very high89.6Confident0 Ų031.3 Ų31.30%020%0.203CC..Hα-helixtrans-60.9-44.3177.700000112.4K52 T53 S54 I59 A60 L96 I123K52-A56 PolarHBondContact O-N 3.08Å; T53-A56 WeakPolarHBondContact O-CB 3.39Å; T53-A56 PolarHBondContact O-N 2.72Å; S54-A56 VanDerWaalsContact C-N 3.3Å; S54-A56 PolarHBondContact O-N 3.27Å; A56-I59 PolarHBondContact O-N 3.48Å; A56-A60 PolarHBondContact O-N 2.86Å; A56-L96 HydrophobicContact CB-CB 4.36Å; A56-L96 HydrophobicContact CB-CD1 3.74Å; A56-L96 HydrophobicContact CB-CD2 4.08Å; A56-L96 HydrophobicContact CB-CG 4.27Å; A56-I123 HydrophobicContact CB-CB 4.3Å; A56-I123 HydrophobicContact CB-CD1 4.07Å; A56-I123 HydrophobicContact CB-CG2 3.8Å
57S90.5Very high89.7Confident19 Ų1933.2 Ų33.213%0.13321%0.209CC..Hα-helixtrans-64-39.5175-620000112.5T53 S54 I55 A60 G61T53-S57 PolarHBondContact O-N 3.32Å; T53-S57 PolarHBondContact O-OG 2.91Å; S54-S57 PolarHBondContact O-N 3.41Å; I55-S57 PolarHBondContact O-N 2.71Å; S57-A60 WeakPolarHBondContact O-CB 3.45Å; S57-A60 PolarHBondContact O-N 2.9Å; S57-G61 PolarHBondContact O-N 2.79Å
58A93.5Very high90.2Very high0 Ų035.3 Ų35.30%021%0.21CC..Hα-helixtrans-66.3-42.6176.900000112.7P11 N13 L14 V17 S54 I55 A60 G61 S62P11-A58 HydrophobicContact CB-CB 4.12Å; P11-A58 HydrophobicContact CG-CB 3.93Å; N13-A58 WeakPolarHBondContact O-CB 3.33Å; L14-A58 HydrophobicContact CD2-CB 3.98Å; V17-A58 HydrophobicContact CG2-CB 3.38Å; S54-A58 WeakPolarHBondContact O-CB 3.48Å; S54-A58 PolarHBondContact O-N 3.42Å; I55-A58 PolarHBondContact O-N 3.14Å; A58-A60 VanDerWaalsContact C-N 3.29Å; A58-A60 PolarHBondContact O-N 3Å; A58-G61 PolarHBondContact O-N 2.93Å; A58-S62 WeakPolarHBondContact O-CB 3.33Å; A58-S62 PolarHBondContact O-N 3.1Å; A58-S62 PolarHBondContact O-OG 3.3Å
59I93.7Very high90.7Very high0 Ų035.5 Ų35.50%021%0.205CC..Hα-helixtrans-57.8-47.6173-70165.5000109.4L14 I30 V34 L39 M42 I55 A56 G61 S62 T63 I94 I123L14-I59 HydrophobicContact CD2-CG1 3.87Å; I30-I59 HydrophobicContact CG2-CD1 3.68Å; I30-I59 HydrophobicContact CG2-CG1 3.82Å; V34-I59 HydrophobicContact CG2-CG1 4.33Å; V34-I59 HydrophobicContact CG2-CG2 4.04Å; L39-I59 HydrophobicContact CD1-CG2 3.85Å; L39-I59 HydrophobicContact CD2-CG2 3.39Å; L39-I59 HydrophobicContact CG-CG2 4.28Å; M42-I59 HydrophobicContact CE-CD1 4.47Å; M42-I59 HydrophobicContact SD-CD1 4.13Å; I55-I59 HydrophobicContact CG2-CD1 3.77Å; I55-I59 HydrophobicContact CG2-CG1 4.29Å; I55-I59 VanDerWaalsContact O-CG1 3.27Å; I55-I59 WeakPolarHBondContact O-CG1 3.49Å; I55-I59 PolarHBondContact O-N 2.86Å; A56-I59 PolarHBondContact O-N 3.48Å; I59-G61 PolarHBondContact O-N 2.89Å; I59-S62 PolarHBondContact O-N 3.16Å; I59-T63 HydrophobicContact CG2-CG2 4.47Å; I59-T63 VanDerWaalsContact O-CG2 3.22Å; I59-T63 WeakPolarHBondContact O-CG2 3.26Å; I59-T63 PolarHBondContact O-N 2.88Å; I59-T63 VanDerWaalsContact O-N 3.14Å; I59-T63 PolarHBondContact O-OG1 2.85Å; I59-I94 HydrophobicContact CG2-CD1 4.17Å; I59-I123 HydrophobicContact CB-CD1 4.29Å; I59-I123 HydrophobicContact CD1-CD1 3.9Å; I59-I123 HydrophobicContact CG2-CD1 4.16Å
60A88.7Confident91.2Very high9 Ų936.2 Ų36.27%0.07421%0.206CC..Hα-helixtrans-58-50179.700000112A56 S57 A58 S62 T63 F67 I94A56-A60 PolarHBondContact O-N 2.86Å; S57-A60 WeakPolarHBondContact O-CB 3.45Å; S57-A60 PolarHBondContact O-N 2.9Å; A58-A60 VanDerWaalsContact C-N 3.29Å; A58-A60 PolarHBondContact O-N 3Å; A60-S62 VanDerWaalsContact C-N 3.33Å; A60-S62 PolarHBondContact O-N 3.16Å; A60-T63 CarbonylContact O-C 3.55Å; A60-T63 PolarHBondContact O-N 2.89Å; A60-T63 PolarHBondContact O-OG1 2.8Å; A60-F67 HydrophobicContact CB-CB 3.76Å; A60-F67 HydrophobicContact CB-CD1 4.15Å; A60-F67 HydrophobicContact CB-CD2 3.39Å; A60-F67 HydrophobicContact CB-CE2 3.94Å; A60-F67 HydrophobicContact CB-CG 3.5Å; A60-I94 HydrophobicContact CB-CD1 4.47Å
61G88.6Confident91.6Very high53 Ų5337.8 Ų37.855%0.54621%0.214SC..Hα-helixtrans-74.2-18.5-179.600000115.2R12 S57 A58 I59 T63R12-G61 CarbonylContact O-C 3.47Å; R12-G61 WeakPolarHBondContact O-CA 3.33Å; S57-G61 PolarHBondContact O-N 2.79Å; A58-G61 PolarHBondContact O-N 2.93Å; I59-G61 PolarHBondContact O-N 2.89Å; G61-T63 VanDerWaalsContact C-N 3.27Å
62S89.9Confident91.7Very high41 Ų4137 Ų3729%0.28721%0.207SC..Hα-helixtrans-80.3-6.9166.5-70.30000113.4N13 L14 A58 I59 A60N13-S62 WeakPolarHBondContact CA-OG 3.35Å; N13-S62 WeakPolarHBondContact CB-OG 3.47Å; L14-S62 PolarHBondContact N-OG 3.29Å; A58-S62 WeakPolarHBondContact O-CB 3.33Å; A58-S62 PolarHBondContact O-N 3.1Å; A58-S62 PolarHBondContact O-OG 3.3Å; I59-S62 PolarHBondContact O-N 3.16Å; A60-S62 VanDerWaalsContact C-N 3.33Å; A60-S62 PolarHBondContact O-N 3.16Å
63T87.1Confident91.5Very high21 Ų2139.1 Ų39.113%0.12923%0.226CC..SBendtrans-116.9161.8177.167.30000110.8V34 I59 A60 G61 Y65 I94V34-T63 HydrophobicContact CG1-CG2 4.19Å; I59-T63 HydrophobicContact CG2-CG2 4.47Å; I59-T63 VanDerWaalsContact O-CG2 3.22Å; I59-T63 WeakPolarHBondContact O-CG2 3.26Å; I59-T63 PolarHBondContact O-N 2.88Å; I59-T63 VanDerWaalsContact O-N 3.14Å; I59-T63 PolarHBondContact O-OG1 2.85Å; A60-T63 CarbonylContact O-C 3.55Å; A60-T63 PolarHBondContact O-N 2.89Å; A60-T63 PolarHBondContact O-OG1 2.8Å; G61-T63 VanDerWaalsContact C-N 3.27Å; T63-Y65 VanDerWaalsContact C-N 3.27Å; T63-Y65 HydrophobicContact CG2-CD2 4.03Å; T63-Y65 HydrophobicContact CG2-CE2 4.38Å; T63-I94 HydrophobicContact CG2-CD1 4.49Å; T63-I94 WeakPolarHBondContact OG1-CD1 3.37Å
64N82.8Confident91.7Very high175 Ų17543.4 Ų43.494%0.93625%0.253SS*.SBendtrans-91.613.7172.1-72.6-5.8000112.5
65Y86.8Confident91.8Very high79 Ų7944.3 Ų44.331%0.3126%0.255SS..SBendtrans-77.8143.6-179.6-64.1-59.8000110.7T63 T92 I94 I121T63-Y65 VanDerWaalsContact C-N 3.27Å; T63-Y65 HydrophobicContact CG2-CD2 4.03Å; T63-Y65 HydrophobicContact CG2-CE2 4.38Å; Y65-T92 HydrophobicContact CD1-CG2 3.84Å; Y65-T92 HydrophobicContact CE1-CG2 3.83Å; Y65-T92 HydrophobicContact CG-CG2 4.42Å; Y65-I94 HydrophobicContact CD2-CD1 3.96Å; Y65-I94 HydrophobicContact CD2-CG1 4.23Å; Y65-I94 HydrophobicContact CG-CD1 4.36Å; Y65-I94 HydrophobicContact CG-CG1 4.34Å; Y65-I121 HydrophobicContact CE2-CD1 4.28Å
66A90.5Very high91.8Very high29 Ų2947.5 Ų47.524%0.2428%0.275CS..EExtended strand (participates in β ladder)trans-60.5141.5168.300000109.7E86 V93 I94A66-E86 WeakPolarHBondContact CB-OE1 3.44Å; A66-V93 HydrophobicContact CB-CG2 4.03Å; A66-V93 WeakPolarHBondContact O-CA 3.1Å; A66-V93 WeakPolarHBondContact O-CG1 3.38Å; A66-I94 PolarHBondContact O-N 2.95Å
67F92.5Very high91.9Very high47 Ų4751.3 Ų51.321%0.20629%0.292CS..EExtended strand (participates in β ladder)trans-120.8131.5-175.4-179.2-114.2000111.5A60 M69 I94 L96A60-F67 HydrophobicContact CB-CB 3.76Å; A60-F67 HydrophobicContact CB-CD1 4.15Å; A60-F67 HydrophobicContact CB-CD2 3.39Å; A60-F67 HydrophobicContact CB-CE2 3.94Å; A60-F67 HydrophobicContact CB-CG 3.5Å; F67-M69 HydrophobicContact CD1-CG 4.23Å; F67-M69 HydrophobicContact CE1-CG 3.32Å; F67-M69 HydrophobicContact CE1-SD 3.74Å; F67-M69 HydrophobicContact CZ-CG 3.51Å; F67-M69 HydrophobicContact CZ-SD 4.07Å; F67-I94 WeakPolarHBondContact CA-O 3.47Å; F67-I94 HydrophobicContact CD2-CB 4Å; F67-I94 HydrophobicContact CD2-CG2 3.68Å; F67-I94 HydrophobicContact CE2-CG2 3.96Å; F67-L96 HydrophobicContact CE2-CB 3.77Å; F67-L96 HydrophobicContact CZ-CB 3.76Å; F67-L96 HydrophobicContact CZ-CD2 4.17Å
68R95.1Very high92.2Very high104 Ų10457.8 Ų57.839%0.39232%0.317SS..EExtended strand (participates in β ladder)trans-131.1140.9175.8-65.5-67177.1-100.54.2110V83 E86 V93 I94 L95 L96R68-V83 HydrophobicContact CB-CG1 4.34Å; R68-V83 HydrophobicContact CB-CG2 3.94Å; R68-V83 HydrophobicContact CG-CG1 4.4Å; R68-V83 HydrophobicContact CG-CG2 4.05Å; R68-E86 IonicContact CZ-OE1 2.72Å; R68-E86 VanDerWaalsContact CZ-OE1 3.23Å; R68-E86 IonicContact CZ-OE2 2.77Å; R68-E86 IonicContact NE-OE1 3.09Å; R68-E86 IonicContact NE-OE2 3.85Å; R68-E86 PolarHBondContact NE-OE2 3.3Å; R68-E86 IonicContact NH1-OE1 3.97Å; R68-E86 IonicContact NH2-OE1 2.87Å; R68-E86 PolarHBondContact NH2-OE1 3.24Å; R68-E86 IonicContact NH2-OE2 3.94Å; R68-E86 PolarHBondContact NH2-OE2 2.84Å; R68-V93 HydrophobicContact CB-CG1 4.42Å; R68-V93 HydrophobicContact CG-CG1 4.08Å; R68-I94 PolarHBondContact N-O 3.06Å; R68-L95 HydrophobicContact CB-CD1 4.32Å; R68-L95 CarbonylContact O-C 3.45Å; R68-L95 WeakPolarHBondContact O-CA 3.5Å; R68-L96 PolarHBondContact O-N 2.87Å
69M94.8Very high92.4Very high81 Ų8160.1 Ų60.140%0.39933%0.33SS..EExtended strand (participates in β ladder)trans-114.5126.7174.6-59.5-171.4-71.700108.2F67 L96F67-M69 HydrophobicContact CD1-CG 4.23Å; F67-M69 HydrophobicContact CE1-CG 3.32Å; F67-M69 HydrophobicContact CE1-SD 3.74Å; F67-M69 HydrophobicContact CZ-CG 3.51Å; F67-M69 HydrophobicContact CZ-SD 4.07Å; M69-L96 WeakPolarHBondContact CA-O 3.32Å; M69-L96 HydrophobicContact CG-CB 4.12Å; M69-L96 HydrophobicContact CG-CD2 3.92Å; M69-L96 HydrophobicContact CG-CG 4.47Å; M69-L96 HydrophobicContact SD-CD2 3.95Å
70L96.8Very high92.5Very high24 Ų2460.2 Ų60.213%0.12633%0.33CS..EExtended strand (participates in β ladder)trans-130.6159.8169.9-62.9177.6000108.8D75 D79 L80 V83 L95 L96 L97 D98L70-D75 WeakPolarHBondContact CA-OD2 3.41Å; L70-D75 HydrophobicContact CB-CB 4.19Å; L70-D75 WeakPolarHBondContact CB-OD2 3.49Å; L70-D75 HydrophobicContact CD2-CB 4.09Å; L70-D79 HydrophobicContact CD1-CB 4.14Å; L70-D79 HydrophobicContact CD2-CB 3.97Å; L70-L80 HydrophobicContact CD1-CD2 3.55Å; L70-L80 HydrophobicContact CD1-CG 4.15Å; L70-V83 HydrophobicContact CD1-CG2 3.91Å; L70-L95 HydrophobicContact CB-CD1 4.1Å; L70-L95 HydrophobicContact CD1-CD1 3.85Å; L70-L95 HydrophobicContact CG-CD1 3.87Å; L70-L96 PolarHBondContact N-O 3.26Å; L70-L97 HydrophobicContact CB-CD1 4.07Å; L70-L97 CarbonylContact O-C 3.52Å; L70-L97 WeakPolarHBondContact O-CA 3.44Å; L70-D98 PolarHBondContact O-N 3Å
71N95.2Very high92.8Very high36 Ų3663.7 Ų63.719%0.19335%0.345CS..EExtended strand (participates in β ladder)trans-113.7123.9172.1179.5-60.3000108.6A73 T74 D75N71-A73 PolarHBondContact O-N 3.37Å; N71-A73 VanDerWaalsContact O-N 3.16Å; N71-A73 WeakPolarHBondContact OD1-CA 3.23Å; N71-A73 VanDerWaalsContact OD1-CB 3.26Å; N71-A73 WeakPolarHBondContact OD1-CB 3.49Å; N71-A73 PolarHBondContact OD1-N 2.97Å; N71-T74 WeakPolarHBondContact CB-OG1 3.42Å; N71-T74 PolarHBondContact O-N 3.39Å; N71-T74 PolarHBondContact OD1-N 3.21Å; N71-D75 PolarHBondContact N-OD2 2.9Å; N71-D75 WeakPolarHBondContact O-CB 3.42Å; N71-D75 PolarHBondContact O-N 3.36Å
72A94Very high93.1Very high2 Ų266.4 Ų66.42%0.01735%0.346CS..THydrogen-bonded Turntrans-63-25.7-173.700000113.8L97 D98 E99 L103 K107A72-L97 HydrophobicContact CB-CD1 3.92Å; A72-L97 HydrophobicContact CB-CD2 4.24Å; A72-L97 HydrophobicContact CB-CG 3.98Å; A72-D98 PolarHBondContact N-O 3.34Å; A72-E99 WeakPolarHBondContact CB-O 3.14Å; A72-L103 HydrophobicContact CB-CB 4.08Å; A72-L103 HydrophobicContact CB-CD1 4.09Å; A72-K107 PolarHBondContact O-NZ 2.83Å
73A90.6Very high93.4Very high58 Ų5864.7 Ų64.748%0.47933%0.334SS..THydrogen-bonded Turntrans-80.8-38.7-179.300000112.6N71 R102N71-A73 PolarHBondContact O-N 3.37Å; N71-A73 VanDerWaalsContact O-N 3.16Å; N71-A73 WeakPolarHBondContact OD1-CA 3.23Å; N71-A73 VanDerWaalsContact OD1-CB 3.26Å; N71-A73 WeakPolarHBondContact OD1-CB 3.49Å; N71-A73 PolarHBondContact OD1-N 2.97Å; A73-R102 HydrophobicContact CB-CB 3.89Å; A73-R102 HydrophobicContact CB-CG 4.08Å
74T94Very high93.7Very high103 Ų10364 Ų6463%0.63233%0.33SS*.THydrogen-bonded Turntrans-100.7-37.7-173.757.60000113.6N71N71-T74 WeakPolarHBondContact CB-OG1 3.42Å; N71-T74 PolarHBondContact O-N 3.39Å; N71-T74 PolarHBondContact OD1-N 3.21Å
75D96.1Very high94.3Very high48 Ų4860.9 Ų60.926%0.25731%0.309SS..SBendtrans-80.6147.1-176-64.3-47.8000111.4L70 N71 D79 K107L70-D75 WeakPolarHBondContact CA-OD2 3.41Å; L70-D75 HydrophobicContact CB-CB 4.19Å; L70-D75 WeakPolarHBondContact CB-OD2 3.49Å; L70-D75 HydrophobicContact CD2-CB 4.09Å; N71-D75 PolarHBondContact N-OD2 2.9Å; N71-D75 WeakPolarHBondContact O-CB 3.42Å; N71-D75 PolarHBondContact O-N 3.36Å; D75-D79 HydrophobicContact CB-CB 4.21Å; D75-K107 WeakPolarHBondContact O-CE 3.35Å; D75-K107 PolarHBondContact O-NZ 3.08Å; D75-K107 VanDerWaalsContact O-NZ 3.08Å
76T95.2Very high94.6Very high68 Ų6858.9 Ų58.942%0.41730%0.303SS..  trans-91.9170.8-171.775.20000111.5K78 D79 L80T76-K78 PolarHBondContact O-N 2.97Å; T76-K78 PolarHBondContact OG1-N 3.24Å; T76-K78 VanDerWaalsContact OG1-N 3.16Å; T76-D79 WeakPolarHBondContact CA-OD2 3.1Å; T76-D79 WeakPolarHBondContact CB-OD2 3.36Å; T76-D79 PolarHBondContact N-OD2 3.12Å; T76-D79 PolarHBondContact O-N 3.44Å; T76-D79 PolarHBondContact OG1-OD2 3.22Å; T76-L80 PolarHBondContact O-N 3.39Å
77K94.3Very high94.7Very high81 Ų8157.5 Ų57.535%0.35229%0.292SS..Hα-helixtrans-58.5-31.3169.2-179.2177.4177.9172.60112.4D79 L80 Q81 T106 K107 F110K77-D79 VanDerWaalsContact C-N 3.3Å; K77-D79 PolarHBondContact O-N 2.94Å; K77-L80 PolarHBondContact O-N 2.89Å; K77-Q81 WeakPolarHBondContact O-CG 3.45Å; K77-Q81 PolarHBondContact O-N 3.35Å; K77-T106 HydrophobicContact CD-CG2 4.05Å; K77-K107 HydrophobicContact CB-CG 4.46Å; K77-F110 HydrophobicContact CG-CG 4.47Å
78K96.1Very high94.6Very high154 Ų15462.2 Ų62.267%0.6731%0.312SS*.Hα-helixtrans-65.4-37.2179.4-67-174.5178179.80111.2T76 L80 Q81 I82T76-K78 PolarHBondContact O-N 2.97Å; T76-K78 PolarHBondContact OG1-N 3.24Å; T76-K78 VanDerWaalsContact OG1-N 3.16Å; K78-L80 VanDerWaalsContact C-N 3.35Å; K78-Q81 WeakPolarHBondContact O-CB 3.18Å; K78-Q81 PolarHBondContact O-N 3.31Å; K78-Q81 VanDerWaalsContact O-N 3.15Å; K78-I82 WeakPolarHBondContact O-CG1 3.28Å; K78-I82 PolarHBondContact O-N 3.13Å
79D97Very high94.2Very high49 Ų4964.9 Ų64.926%0.26233%0.331SS..Hα-helixtrans-64.7-41.6176.7-53.3-63000110.9L70 D75 T76 K77 Q81 I82 V83L70-D79 HydrophobicContact CD1-CB 4.14Å; L70-D79 HydrophobicContact CD2-CB 3.97Å; D75-D79 HydrophobicContact CB-CB 4.21Å; T76-D79 WeakPolarHBondContact CA-OD2 3.1Å; T76-D79 WeakPolarHBondContact CB-OD2 3.36Å; T76-D79 PolarHBondContact N-OD2 3.12Å; T76-D79 PolarHBondContact O-N 3.44Å; T76-D79 PolarHBondContact OG1-OD2 3.22Å; K77-D79 VanDerWaalsContact C-N 3.3Å; K77-D79 PolarHBondContact O-N 2.94Å; D79-Q81 VanDerWaalsContact C-N 3.31Å; D79-Q81 PolarHBondContact O-N 3.17Å; D79-I82 WeakPolarHBondContact O-CB 3.33Å; D79-I82 PolarHBondContact O-N 2.79Å; D79-V83 WeakPolarHBondContact O-CG2 3.38Å; D79-V83 PolarHBondContact O-N 2.76Å
80L95.4Very high93.8Very high3 Ų364.2 Ų64.22%0.01633%0.334CS..Hα-helixtrans-62.9-36.3172.4-63.6170.8000112.7L70 T76 K77 K78 V83 A84 L95 K107 F110 L111L70-L80 HydrophobicContact CD1-CD2 3.55Å; L70-L80 HydrophobicContact CD1-CG 4.15Å; T76-L80 PolarHBondContact O-N 3.39Å; K77-L80 PolarHBondContact O-N 2.89Å; K78-L80 VanDerWaalsContact C-N 3.35Å; L80-V83 PolarHBondContact O-N 3.26Å; L80-A84 PolarHBondContact O-N 3.32Å; L80-L95 HydrophobicContact CD2-CD2 3.71Å; L80-K107 HydrophobicContact CD1-CB 3.71Å; L80-K107 HydrophobicContact CD1-CD 4.14Å; L80-K107 HydrophobicContact CD1-CG 3.76Å; L80-F110 HydrophobicContact CB-CD1 3.92Å; L80-F110 HydrophobicContact CB-CE1 3.73Å; L80-L111 HydrophobicContact CD1-CD1 4.21Å; L80-L111 HydrophobicContact CD1-CG 4.32Å; L80-L111 HydrophobicContact CD2-CD1 4.29Å; L80-L111 HydrophobicContact CD2-CD2 4.21Å
81Q95.8Very high93.3Very high82 Ų8265 Ų6538%0.38335%0.349SS..Hα-helixtrans-64.7-39.3175.9-74.1172.9-33.900112K77 K78 D79 V83 A84 E85 F110K77-Q81 WeakPolarHBondContact O-CG 3.45Å; K77-Q81 PolarHBondContact O-N 3.35Å; K78-Q81 WeakPolarHBondContact O-CB 3.18Å; K78-Q81 PolarHBondContact O-N 3.31Å; K78-Q81 VanDerWaalsContact O-N 3.15Å; D79-Q81 VanDerWaalsContact C-N 3.31Å; D79-Q81 PolarHBondContact O-N 3.17Å; Q81-V83 VanDerWaalsContact C-N 3.31Å; Q81-V83 PolarHBondContact O-N 3.13Å; Q81-A84 PolarHBondContact O-N 3.23Å; Q81-E85 PolarHBondContact O-N 3.2Å; Q81-F110 HydrophobicContact CB-CZ 4.17Å; Q81-F110 HydrophobicContact CG-CD2 4.43Å; Q81-F110 HydrophobicContact CG-CE1 4.09Å; Q81-F110 HydrophobicContact CG-CE2 3.65Å; Q81-F110 HydrophobicContact CG-CZ 3.47Å; Q81-F110 VanDerWaalsContact CG-CZ 3.47Å
82I96.1Very high93.1Very high110 Ų11064.8 Ų64.856%0.56435%0.349SS*.Hα-helixtrans-60-44.7175.2-66.6165.7000110.3K78 D79 A84 E85 E86K78-I82 WeakPolarHBondContact O-CG1 3.28Å; K78-I82 PolarHBondContact O-N 3.13Å; D79-I82 WeakPolarHBondContact O-CB 3.33Å; D79-I82 PolarHBondContact O-N 2.79Å; I82-A84 VanDerWaalsContact C-N 3.33Å; I82-A84 PolarHBondContact O-N 3.17Å; I82-E85 PolarHBondContact O-N 2.76Å; I82-E86 PolarHBondContact O-N 2.75Å
83V95.3Very high93.1Very high5 Ų564.7 Ų64.73%0.0335%0.348CS..Hα-helixtrans-62.4-40.7176.5179.30000111.7R68 L70 D79 L80 Q81 E86 A87 V93 L95 I120R68-V83 HydrophobicContact CB-CG1 4.34Å; R68-V83 HydrophobicContact CB-CG2 3.94Å; R68-V83 HydrophobicContact CG-CG1 4.4Å; R68-V83 HydrophobicContact CG-CG2 4.05Å; L70-V83 HydrophobicContact CD1-CG2 3.91Å; D79-V83 WeakPolarHBondContact O-CG2 3.38Å; D79-V83 PolarHBondContact O-N 2.76Å; L80-V83 PolarHBondContact O-N 3.26Å; Q81-V83 VanDerWaalsContact C-N 3.31Å; Q81-V83 PolarHBondContact O-N 3.13Å; V83-E86 PolarHBondContact O-N 3.16Å; V83-A87 PolarHBondContact O-N 2.88Å; V83-V93 HydrophobicContact CG1-CB 4.41Å; V83-V93 HydrophobicContact CG1-CG1 3.77Å; V83-L95 HydrophobicContact CG1-CB 4.37Å; V83-L95 HydrophobicContact CG1-CD1 4.37Å; V83-L95 HydrophobicContact CG2-CD1 4.38Å; V83-I120 HydrophobicContact CG1-CD1 4.37Å
84A94.3Very high93.3Very high5 Ų562 Ų624%0.04133%0.325CS..Hα-helixtrans-66.9-39.2178.400000113L80 Q81 I82 A87 K88 F110 I120L80-A84 PolarHBondContact O-N 3.32Å; Q81-A84 PolarHBondContact O-N 3.23Å; I82-A84 VanDerWaalsContact C-N 3.33Å; I82-A84 PolarHBondContact O-N 3.17Å; A84-A87 PolarHBondContact O-N 3.44Å; A84-K88 PolarHBondContact O-N 2.81Å; A84-K88 VanDerWaalsContact O-N 3.08Å; A84-F110 HydrophobicContact CB-CE1 4.28Å; A84-F110 HydrophobicContact CB-CZ 3.85Å; A84-I120 HydrophobicContact CB-CD1 4.12Å
85E94.5Very high93.5Very high110 Ų11057 Ų5751%0.51430%0.295SS..Hα-helixtrans-68.5-37174.6-71.5-55.8129.800111.7Q81 I82 K88 M89Q81-E85 PolarHBondContact O-N 3.2Å; I82-E85 PolarHBondContact O-N 2.76Å; E85-K88 WeakPolarHBondContact O-CB 3.38Å; E85-K88 PolarHBondContact O-N 3.43Å; E85-K88 IonicContact OE2-NZ 3.91Å; E85-M89 PolarHBondContact O-N 3.39Å
86E94Very high93.5Very high37 Ų3755 Ų5517%0.17328%0.284CS..Hα-helixtrans-60.6-45.7171.4-175.1175.5166.200111.4A66 R68 I82 V83 K88 M89 S90 V93A66-E86 WeakPolarHBondContact CB-OE1 3.44Å; R68-E86 IonicContact CZ-OE1 2.72Å; R68-E86 VanDerWaalsContact CZ-OE1 3.23Å; R68-E86 IonicContact CZ-OE2 2.77Å; R68-E86 IonicContact NE-OE1 3.09Å; R68-E86 IonicContact NE-OE2 3.85Å; R68-E86 PolarHBondContact NE-OE2 3.3Å; R68-E86 IonicContact NH1-OE1 3.97Å; R68-E86 IonicContact NH2-OE1 2.87Å; R68-E86 PolarHBondContact NH2-OE1 3.24Å; R68-E86 IonicContact NH2-OE2 3.94Å; R68-E86 PolarHBondContact NH2-OE2 2.84Å; I82-E86 PolarHBondContact O-N 2.75Å; V83-E86 PolarHBondContact O-N 3.16Å; E86-K88 PolarHBondContact O-N 2.89Å; E86-M89 PolarHBondContact O-N 2.9Å; E86-S90 PolarHBondContact O-N 3.04Å; E86-S90 PolarHBondContact O-OG 2.76Å; E86-S90 VanDerWaalsContact O-OG 3.12Å; E86-V93 HydrophobicContact CB-CG2 4.38Å; E86-V93 HydrophobicContact CG-CG2 4.09Å
87A91.5Very high93.5Very high0 Ų051.8 Ų51.80%026%0.264CS..Hα-helixtrans-61.1-29.2176.700000113.2V83 A84 M89 G91 V93 R119 I120V83-A87 PolarHBondContact O-N 2.88Å; A84-A87 PolarHBondContact O-N 3.44Å; A87-M89 VanDerWaalsContact C-N 3.29Å; A87-M89 PolarHBondContact O-N 3.37Å; A87-G91 CarbonylContact O-C 3.56Å; A87-G91 WeakPolarHBondContact O-CA 3.45Å; A87-G91 PolarHBondContact O-N 2.93Å; A87-V93 HydrophobicContact CB-CB 4.04Å; A87-V93 HydrophobicContact CB-CG2 3.69Å; A87-R119 HydrophobicContact CB-CB 4.43Å; A87-R119 WeakPolarHBondContact CB-O 3.47Å; A87-I120 HydrophobicContact CB-CG1 4.35Å
88K89.6Confident93.6Very high146 Ų14650.2 Ų50.264%0.63526%0.26SS*.Hα-helixtrans-67.6-31.2174.1-171.8-178.4174.7-173.20112.2A84 E85 E86A84-K88 PolarHBondContact O-N 2.81Å; A84-K88 VanDerWaalsContact O-N 3.08Å; E85-K88 WeakPolarHBondContact O-CB 3.38Å; E85-K88 PolarHBondContact O-N 3.43Å; E85-K88 IonicContact OE2-NZ 3.91Å; E86-K88 PolarHBondContact O-N 2.89Å
89M88.4Confident93.4Very high161 Ų16146 Ų4679%0.79324%0.242SC*.Hα-helixtrans-86-42.6178.6-63.3-174.4-71.600112.5E85 E86 A87E85-M89 PolarHBondContact O-N 3.39Å; E86-M89 PolarHBondContact O-N 2.9Å; A87-M89 VanDerWaalsContact C-N 3.29Å; A87-M89 PolarHBondContact O-N 3.37Å
90S84.7Confident93.3Very high66 Ų6643.8 Ų43.846%0.46223%0.23SC..Hα-helixtrans-88.3-10.3-178.165.40000114.2E86 T92E86-S90 PolarHBondContact O-N 3.04Å; E86-S90 PolarHBondContact O-OG 2.76Å; E86-S90 VanDerWaalsContact O-OG 3.12Å; S90-T92 VanDerWaalsContact C-N 3.31Å; S90-T92 PolarHBondContact O-N 3.22Å
91G87.5Confident93.2Very high42 Ų4245 Ų4543%0.43324%0.236SC..SBendtrans89.5-50.9-175.700000113.2A87A87-G91 CarbonylContact O-C 3.56Å; A87-G91 WeakPolarHBondContact O-CA 3.45Å; A87-G91 PolarHBondContact O-N 2.93Å
92T91.3Very high93.1Very high31 Ų3148.4 Ų48.419%0.1925%0.245CC..  trans-145.3135.9-179-54.80000111.7Y65 S90 R119 I121Y65-T92 HydrophobicContact CD1-CG2 3.84Å; Y65-T92 HydrophobicContact CE1-CG2 3.83Å; Y65-T92 HydrophobicContact CG-CG2 4.42Å; S90-T92 VanDerWaalsContact C-N 3.31Å; S90-T92 PolarHBondContact O-N 3.22Å; T92-R119 WeakPolarHBondContact CA-O 3.47Å; T92-I121 HydrophobicContact CG2-CD1 3.56Å; T92-I121 HydrophobicContact CG2-CG1 3.77Å
93V94.4Very high93Very high0 Ų043.7 Ų43.70%022%0.221CC..EExtended strand (participates in β ladder)trans-123.8135.9174.61750000109.8A66 R68 V83 E86 A87 R119 I120 I121A66-V93 HydrophobicContact CB-CG2 4.03Å; A66-V93 WeakPolarHBondContact O-CA 3.1Å; A66-V93 WeakPolarHBondContact O-CG1 3.38Å; R68-V93 HydrophobicContact CB-CG1 4.42Å; R68-V93 HydrophobicContact CG-CG1 4.08Å; V83-V93 HydrophobicContact CG1-CB 4.41Å; V83-V93 HydrophobicContact CG1-CG1 3.77Å; E86-V93 HydrophobicContact CB-CG2 4.38Å; E86-V93 HydrophobicContact CG-CG2 4.09Å; A87-V93 HydrophobicContact CB-CB 4.04Å; A87-V93 HydrophobicContact CB-CG2 3.69Å; V93-R119 PolarHBondContact N-O 3Å; V93-R119 VanDerWaalsContact N-O 3.07Å; V93-I120 WeakPolarHBondContact O-CA 3.49Å; V93-I121 PolarHBondContact O-N 3.07Å
94I94.5Very high92.9Very high0 Ų046.5 Ų46.50%024%0.236CC..EExtended strand (participates in β ladder)trans-83.4119.7166-63.3172.8000108.3L39 I59 A60 T63 Y65 A66 F67 R68 I121 I123L39-I94 HydrophobicContact CD2-CD1 3.69Å; L39-I94 HydrophobicContact CD2-CG1 4.12Å; I59-I94 HydrophobicContact CG2-CD1 4.17Å; A60-I94 HydrophobicContact CB-CD1 4.47Å; T63-I94 HydrophobicContact CG2-CD1 4.49Å; T63-I94 WeakPolarHBondContact OG1-CD1 3.37Å; Y65-I94 HydrophobicContact CD2-CD1 3.96Å; Y65-I94 HydrophobicContact CD2-CG1 4.23Å; Y65-I94 HydrophobicContact CG-CD1 4.36Å; Y65-I94 HydrophobicContact CG-CG1 4.34Å; A66-I94 PolarHBondContact O-N 2.95Å; F67-I94 WeakPolarHBondContact CA-O 3.47Å; F67-I94 HydrophobicContact CD2-CB 4Å; F67-I94 HydrophobicContact CD2-CG2 3.68Å; F67-I94 HydrophobicContact CE2-CG2 3.96Å; R68-I94 PolarHBondContact N-O 3.06Å; I94-I121 CarbonylContact C-O 3.38Å; I94-I121 WeakPolarHBondContact CA-O 3.26Å; I94-I121 HydrophobicContact CG1-CB 4.31Å; I94-I123 HydrophobicContact CG2-CD1 3.69Å; I94-I123 HydrophobicContact CG2-CG1 4.14Å
95L96.6Very high92.7Very high0 Ų053.3 Ų53.30%027%0.265CS..EExtended strand (participates in β ladder)trans-107.1107.3174.717460.2000109.5R68 L70 L80 V83 L97 L111 I120 I121 M122 I123R68-L95 HydrophobicContact CB-CD1 4.32Å; R68-L95 CarbonylContact O-C 3.45Å; R68-L95 WeakPolarHBondContact O-CA 3.5Å; L70-L95 HydrophobicContact CB-CD1 4.1Å; L70-L95 HydrophobicContact CD1-CD1 3.85Å; L70-L95 HydrophobicContact CG-CD1 3.87Å; L80-L95 HydrophobicContact CD2-CD2 3.71Å; V83-L95 HydrophobicContact CG1-CB 4.37Å; V83-L95 HydrophobicContact CG1-CD1 4.37Å; V83-L95 HydrophobicContact CG2-CD1 4.38Å; L95-L97 PolarHBondContact O-N 2.97Å; L95-L111 HydrophobicContact CD2-CD2 4.15Å; L95-I120 HydrophobicContact CB-CG2 3.69Å; L95-I120 HydrophobicContact CD2-CG2 4.1Å; L95-I121 PolarHBondContact N-O 3.28Å; L95-M122 CarbonylContact O-C 3.54Å; L95-M122 WeakPolarHBondContact O-CA 3.08Å; L95-I123 PolarHBondContact O-N 2.9Å
96L96.6Very high92.7Very high4 Ų452.1 Ų52.12%0.02127%0.265CS..EExtended strand (participates in β ladder)trans-74.8122.1161.9171.661.5000108.5T53 A56 F67 R68 M69 L70 I123 A125T53-L96 HydrophobicContact CG2-CD2 3.7Å; A56-L96 HydrophobicContact CB-CB 4.36Å; A56-L96 HydrophobicContact CB-CD1 3.74Å; A56-L96 HydrophobicContact CB-CD2 4.08Å; A56-L96 HydrophobicContact CB-CG 4.27Å; F67-L96 HydrophobicContact CE2-CB 3.77Å; F67-L96 HydrophobicContact CZ-CB 3.76Å; F67-L96 HydrophobicContact CZ-CD2 4.17Å; R68-L96 PolarHBondContact O-N 2.87Å; M69-L96 WeakPolarHBondContact CA-O 3.32Å; M69-L96 HydrophobicContact CG-CB 4.12Å; M69-L96 HydrophobicContact CG-CD2 3.92Å; M69-L96 HydrophobicContact CG-CG 4.47Å; M69-L96 HydrophobicContact SD-CD2 3.95Å; L70-L96 PolarHBondContact N-O 3.26Å; L96-I123 WeakPolarHBondContact CA-O 3.22Å; L96-I123 HydrophobicContact CD1-CG2 4.4Å; L96-I123 VanDerWaalsContact CD1-O 3.24Å; L96-I123 WeakPolarHBondContact CD1-O 3.38Å; L96-A125 HydrophobicContact CD1-CB 4.19Å
97L96.6Very high92.8Very high2 Ų251.3 Ų51.31%0.0126%0.261CS..EExtended strand (participates in β ladder)trans-116.299.2175.7-171.765.9000109.3L70 A72 L95 V100 L103 L111 M122 I123 G124 A125L70-L97 HydrophobicContact CB-CD1 4.07Å; L70-L97 CarbonylContact O-C 3.52Å; L70-L97 WeakPolarHBondContact O-CA 3.44Å; A72-L97 HydrophobicContact CB-CD1 3.92Å; A72-L97 HydrophobicContact CB-CD2 4.24Å; A72-L97 HydrophobicContact CB-CG 3.98Å; L95-L97 PolarHBondContact O-N 2.97Å; L97-V100 HydrophobicContact CD2-CB 4.42Å; L97-V100 HydrophobicContact CD2-CG2 3.85Å; L97-V100 HydrophobicContact CG-CB 4.48Å; L97-V100 HydrophobicContact CG-CG2 4.42Å; L97-L103 HydrophobicContact CD2-CD1 3.84Å; L97-L103 HydrophobicContact CD2-CD2 4Å; L97-L103 HydrophobicContact CD2-CG 4.39Å; L97-L111 HydrophobicContact CD2-CD1 4.32Å; L97-M122 HydrophobicContact CB-CG 4.24Å; L97-M122 HydrophobicContact CB-SD 4.45Å; L97-M122 HydrophobicContact CD2-SD 3.89Å; L97-I123 PolarHBondContact N-O 3.14Å; L97-G124 CarbonylContact O-C 3.57Å; L97-G124 WeakPolarHBondContact O-CA 3.44Å; L97-A125 PolarHBondContact O-N 3.05Å
98D94.5Very high92.8Very high48 Ų4852.5 Ų52.526%0.25727%0.266SS..EExtended strand (participates in β ladder)trans-75154.6177.5-153.47.4000111.2L70 A72 V100L70-D98 PolarHBondContact O-N 3Å; A72-D98 PolarHBondContact N-O 3.34Å; D98-V100 PolarHBondContact O-N 2.94Å
99E93.3Very high93Very high64 Ų6449.8 Ų49.830%0.29926%0.259SS..THydrogen-bonded Turntrans51.539.8-175.3-56.3-64.817900113A72 H101 R102 A125A72-E99 WeakPolarHBondContact CB-O 3.14Å; E99-H101 PolarHBondContact O-N 3.26Å; E99-H101 IonicContact OE2-CE1 3.01Å; E99-H101 PolarHBondContact OE2-CE1 3.37Å; E99-H101 IonicContact OE2-ND1 2.98Å; E99-H101 IonicContact OE2-NE2 3.62Å; E99-R102 HydrophobicContact CB-CG 4.25Å; E99-R102 WeakPolarHBondContact O-CB 3.31Å; E99-R102 PolarHBondContact O-N 3.04Å; E99-A125 PolarHBondContact N-O 3.39Å
100V95.3Very high93.3Very high3 Ų343.9 Ų43.92%0.01823%0.229CC..G310 helixtrans-58.3-19.9-171.564.80000114I43 L97 D98 R102 L103 A125 T126 I134I43-V100 HydrophobicContact CD1-CG1 4.15Å; I43-V100 HydrophobicContact CD1-CG2 4.22Å; I43-V100 HydrophobicContact CG2-CG1 4.41Å; L97-V100 HydrophobicContact CD2-CB 4.42Å; L97-V100 HydrophobicContact CD2-CG2 3.85Å; L97-V100 HydrophobicContact CG-CB 4.48Å; L97-V100 HydrophobicContact CG-CG2 4.42Å; D98-V100 PolarHBondContact O-N 2.94Å; V100-R102 PolarHBondContact O-N 3Å; V100-L103 WeakPolarHBondContact O-CB 3.47Å; V100-L103 PolarHBondContact O-N 3.24Å; V100-L103 VanDerWaalsContact O-N 3.13Å; V100-A125 PolarHBondContact N-O 2.99Å; V100-A125 VanDerWaalsContact N-O 3.1Å; V100-T126 HydrophobicContact CG1-CG2 4.26Å; V100-I134 HydrophobicContact CB-CD1 4.45Å; V100-I134 HydrophobicContact CG1-CD1 3.79Å; V100-I134 HydrophobicContact CG2-CD1 4.29Å
101H91.8Very high93.8Very high28 Ų2840.8 Ų40.813%0.1321%0.207CC..G310 helixtrans-66.1-15.4171.666.7-97.8000113.7E99 T126 E128 I134E99-H101 PolarHBondContact O-N 3.26Å; E99-H101 IonicContact OE2-CE1 3.01Å; E99-H101 PolarHBondContact OE2-CE1 3.37Å; E99-H101 IonicContact OE2-ND1 2.98Å; E99-H101 IonicContact OE2-NE2 3.62Å; H101-T126 PolarHBondContact ND1-OG1 3.12Å; H101-E128 VanDerWaalsContact CD2-CD 3.41Å; H101-E128 IonicContact CD2-OE1 3.16Å; H101-E128 PolarHBondContact CD2-OE1 2.87Å; H101-E128 IonicContact CD2-OE2 3.69Å; H101-E128 PolarHBondContact CD2-OE2 3.18Å; H101-E128 VanDerWaalsContact CD2-OE2 3.28Å; H101-E128 IonicContact CE1-OE1 2.82Å; H101-E128 IonicContact CG-OE2 3.01Å; H101-E128 IonicContact NE2-OE1 2.71Å; H101-E128 PolarHBondContact NE2-OE1 3.49Å; H101-E128 IonicContact NE2-OE2 3.48Å; H101-I134 HydrophobicContact CB-CD1 4.12Å
102R94.4Very high94.2Very high155 Ų15540 Ų4059%0.58519%0.193SC*.G310 helixtrans-90.50.7173.8-59.2-63.6-179.4156.3-0.5113.7A73 E99 V100 D104A73-R102 HydrophobicContact CB-CB 3.89Å; A73-R102 HydrophobicContact CB-CG 4.08Å; E99-R102 HydrophobicContact CB-CG 4.25Å; E99-R102 WeakPolarHBondContact O-CB 3.31Å; E99-R102 PolarHBondContact O-N 3.04Å; V100-R102 PolarHBondContact O-N 3Å; R102-D104 PolarHBondContact O-N 3.48Å; R102-D104 VanDerWaalsContact O-N 3.16Å
103L93.8Very high94.3Very high10 Ų1042 Ų425%0.05221%0.206CC..  trans-65.7114.3-178.6-170.466.8000110.6A72 L97 V100 K107 Q108 L111A72-L103 HydrophobicContact CB-CB 4.08Å; A72-L103 HydrophobicContact CB-CD1 4.09Å; L97-L103 HydrophobicContact CD2-CD1 3.84Å; L97-L103 HydrophobicContact CD2-CD2 4Å; L97-L103 HydrophobicContact CD2-CG 4.39Å; V100-L103 WeakPolarHBondContact O-CB 3.47Å; V100-L103 PolarHBondContact O-N 3.24Å; V100-L103 VanDerWaalsContact O-N 3.13Å; L103-K107 HydrophobicContact CD1-CB 3.44Å; L103-K107 VanDerWaalsContact CD1-CB 3.44Å; L103-K107 HydrophobicContact CD1-CD 3.81Å; L103-K107 HydrophobicContact CD1-CG 4.28Å; L103-K107 HydrophobicContact CG-CB 4.17Å; L103-Q108 HydrophobicContact CB-CG 4.45Å; L103-Q108 HydrophobicContact CD2-CG 3.62Å; L103-Q108 HydrophobicContact CG-CG 3.77Å; L103-Q108 PolarHBondContact O-NE2 3.35Å; L103-L111 HydrophobicContact CD1-CD1 4.37Å; L103-L111 HydrophobicContact CD2-CD1 4.04Å
104D92.8Very high94.4Very high64 Ų6443.4 Ų43.434%0.34221%0.213SC..  trans-73.1162.8178.864.162.6000113.2R102 T106 K107 Q108R102-D104 PolarHBondContact O-N 3.48Å; R102-D104 VanDerWaalsContact O-N 3.16Å; D104-T106 VanDerWaalsContact C-N 3.25Å; D104-T106 PolarHBondContact O-N 3.26Å; D104-T106 WeakPolarHBondContact OD1-CB 3.24Å; D104-T106 PolarHBondContact OD1-N 3.49Å; D104-K107 PolarHBondContact O-N 2.82Å; D104-K107 WeakPolarHBondContact OD1-CG 3.48Å; D104-K107 PolarHBondContact OD1-N 3.23Å; D104-K107 VanDerWaalsContact OD2-CD 3.23Å; D104-K107 WeakPolarHBondContact OD2-CD 3.47Å; D104-K107 WeakPolarHBondContact OD2-CE 3.36Å; D104-K107 IonicContact OD2-NZ 2.85Å; D104-K107 PolarHBondContact OD2-NZ 3.49Å; D104-Q108 VanDerWaalsContact O-CG 3.25Å; D104-Q108 WeakPolarHBondContact O-CG 3.5Å; D104-Q108 PolarHBondContact O-N 3.01Å
105K91.8Very high94.3Very high149 Ų14944 Ų4465%0.64822%0.216SC*.Hα-helixtrans-57.4-37.3-177.8-171.7177.3-179.8-178.50112.7Q108 D109K105-Q108 WeakPolarHBondContact O-CB 3.44Å; K105-Q108 PolarHBondContact O-N 3.06Å; K105-D109 WeakPolarHBondContact O-CB 3.35Å; K105-D109 VanDerWaalsContact O-CG 3.27Å; K105-D109 PolarHBondContact O-N 2.82Å
106T93.6Very high94.2Very high85 Ų8549.7 Ų49.752%0.52124%0.243SC..Hα-helixtrans-67.8-39.8-177.5-57.90000112.1K77 D104 F110K77-T106 HydrophobicContact CD-CG2 4.05Å; D104-T106 VanDerWaalsContact C-N 3.25Å; D104-T106 PolarHBondContact O-N 3.26Å; D104-T106 WeakPolarHBondContact OD1-CB 3.24Å; D104-T106 PolarHBondContact OD1-N 3.49Å; T106-F110 PolarHBondContact O-N 3.01Å
107K95.3Very high93.9Very high20 Ų2052.4 Ų52.49%0.08726%0.262CS..Hα-helixtrans-71.9-36.9173.2-66.3171.5-173.5148.70111.7A72 D75 K77 L80 L103 D104 F110 L111A72-K107 PolarHBondContact O-NZ 2.83Å; D75-K107 WeakPolarHBondContact O-CE 3.35Å; D75-K107 PolarHBondContact O-NZ 3.08Å; D75-K107 VanDerWaalsContact O-NZ 3.08Å; K77-K107 HydrophobicContact CB-CG 4.46Å; L80-K107 HydrophobicContact CD1-CB 3.71Å; L80-K107 HydrophobicContact CD1-CD 4.14Å; L80-K107 HydrophobicContact CD1-CG 3.76Å; L103-K107 HydrophobicContact CD1-CB 3.44Å; L103-K107 VanDerWaalsContact CD1-CB 3.44Å; L103-K107 HydrophobicContact CD1-CD 3.81Å; L103-K107 HydrophobicContact CD1-CG 4.28Å; L103-K107 HydrophobicContact CG-CB 4.17Å; D104-K107 PolarHBondContact O-N 2.82Å; D104-K107 WeakPolarHBondContact OD1-CG 3.48Å; D104-K107 PolarHBondContact OD1-N 3.23Å; D104-K107 VanDerWaalsContact OD2-CD 3.23Å; D104-K107 WeakPolarHBondContact OD2-CD 3.47Å; D104-K107 WeakPolarHBondContact OD2-CE 3.36Å; D104-K107 IonicContact OD2-NZ 2.85Å; D104-K107 PolarHBondContact OD2-NZ 3.49Å; K107-F110 PolarHBondContact O-N 3.47Å; K107-L111 WeakPolarHBondContact O-CG 3.34Å; K107-L111 PolarHBondContact O-N 3.37Å
108Q93.1Very high93.6Very high24 Ų2454 Ų5411%0.11228%0.279CS..Hα-helixtrans-59.2-54.9174.5-70.4170.416.500111.6L103 D104 K105 F110 L111 L112 N135 I138L103-Q108 HydrophobicContact CB-CG 4.45Å; L103-Q108 HydrophobicContact CD2-CG 3.62Å; L103-Q108 HydrophobicContact CG-CG 3.77Å; L103-Q108 PolarHBondContact O-NE2 3.35Å; D104-Q108 VanDerWaalsContact O-CG 3.25Å; D104-Q108 WeakPolarHBondContact O-CG 3.5Å; D104-Q108 PolarHBondContact O-N 3.01Å; K105-Q108 WeakPolarHBondContact O-CB 3.44Å; K105-Q108 PolarHBondContact O-N 3.06Å; Q108-F110 PolarHBondContact O-N 3.1Å; Q108-L111 PolarHBondContact O-N 3.22Å; Q108-L112 WeakPolarHBondContact O-CG 3.42Å; Q108-L112 PolarHBondContact O-N 2.99Å; Q108-N135 PolarHBondContact OE1-ND2 3.31Å; Q108-I138 HydrophobicContact CB-CD1 4.45Å; Q108-I138 HydrophobicContact CB-CG1 4.47Å; Q108-I138 HydrophobicContact CG-CD1 4.47Å; Q108-I138 HydrophobicContact CG-CG1 4.12Å
109D93.6Very high93.5Very high90 Ų9057.9 Ų57.948%0.48129%0.29SS..Hα-helixtrans-59-33-178.9-69.3-20.3000111.4K105 P113K105-D109 WeakPolarHBondContact O-CB 3.35Å; K105-D109 VanDerWaalsContact O-CG 3.27Å; K105-D109 PolarHBondContact O-N 2.82Å; D109-P113 WeakPolarHBondContact O-CD 3.17Å
110F95.1Very high93.6Very high37 Ų3754.9 Ų54.916%0.16228%0.276CS..Hα-helixtrans-69-43.2173.5175.9-101.8000112.8K77 L80 Q81 A84 T106 K107 Q108 P113 H114K77-F110 HydrophobicContact CG-CG 4.47Å; L80-F110 HydrophobicContact CB-CD1 3.92Å; L80-F110 HydrophobicContact CB-CE1 3.73Å; Q81-F110 HydrophobicContact CB-CZ 4.17Å; Q81-F110 HydrophobicContact CG-CD2 4.43Å; Q81-F110 HydrophobicContact CG-CE1 4.09Å; Q81-F110 HydrophobicContact CG-CE2 3.65Å; Q81-F110 HydrophobicContact CG-CZ 3.47Å; Q81-F110 VanDerWaalsContact CG-CZ 3.47Å; A84-F110 HydrophobicContact CB-CE1 4.28Å; A84-F110 HydrophobicContact CB-CZ 3.85Å; T106-F110 PolarHBondContact O-N 3.01Å; K107-F110 PolarHBondContact O-N 3.47Å; Q108-F110 PolarHBondContact O-N 3.1Å; F110-P113 WeakPolarHBondContact O-CD 3.47Å; F110-H114 AromaticContact CE2-NE2 3.88Å; F110-H114 AromaticContact CZ-NE2 3.68Å; F110-H114 PolarHBondContact O-CD2 3.26Å
111L95.2Very high93.6Very high0 Ų055.1 Ų55.10%028%0.277CS..Hα-helixtrans-73.2-34.3-176.7-78.7171.3000113.3L80 L95 L97 L103 K107 Q108 H114 L115 I120 M122L80-L111 HydrophobicContact CD1-CD1 4.21Å; L80-L111 HydrophobicContact CD1-CG 4.32Å; L80-L111 HydrophobicContact CD2-CD1 4.29Å; L80-L111 HydrophobicContact CD2-CD2 4.21Å; L95-L111 HydrophobicContact CD2-CD2 4.15Å; L97-L111 HydrophobicContact CD2-CD1 4.32Å; L103-L111 HydrophobicContact CD1-CD1 4.37Å; L103-L111 HydrophobicContact CD2-CD1 4.04Å; K107-L111 WeakPolarHBondContact O-CG 3.34Å; K107-L111 PolarHBondContact O-N 3.37Å; Q108-L111 PolarHBondContact O-N 3.22Å; L111-H114 WeakPolarHBondContact O-CA 3.32Å; L111-H114 WeakPolarHBondContact O-CB 3.47Å; L111-H114 PolarHBondContact O-N 2.81Å; L111-L115 WeakPolarHBondContact O-CG 3.48Å; L111-L115 PolarHBondContact O-N 3.28Å; L111-I120 HydrophobicContact CD2-CD1 4.09Å; L111-M122 HydrophobicContact CD1-SD 4.39Å
112L94.6Very high93.9Very high27 Ų2753.8 Ų53.814%0.14127%0.271CS..Hα-helixtrans-48.9-50-172-77.8171.3000114.2Q108 H114 L115 E116 A137 I138Q108-L112 WeakPolarHBondContact O-CG 3.42Å; Q108-L112 PolarHBondContact O-N 2.99Å; L112-H114 VanDerWaalsContact C-N 3.26Å; L112-H114 PolarHBondContact O-N 3.26Å; L112-L115 PolarHBondContact O-N 2.82Å; L112-E116 WeakPolarHBondContact O-CG 3.25Å; L112-E116 PolarHBondContact O-N 2.95Å; L112-A137 HydrophobicContact CD1-CB 4.19Å; L112-A137 HydrophobicContact CD2-CB 4.22Å; L112-I138 HydrophobicContact CD2-CD1 3.81Å; L112-I138 HydrophobicContact CG-CD1 4.2Å
113P94.4Very high94Very high71 Ų7146.4 Ų46.446%0.46124%0.243SC..Hα-helixtrans-61.5-32.7178.7-22.834.4000113.5D109 F110 S117D109-P113 WeakPolarHBondContact O-CD 3.17Å; F110-P113 WeakPolarHBondContact O-CD 3.47Å; P113-S117 WeakPolarHBondContact O-CB 3.41Å; P113-S117 PolarHBondContact O-N 2.87Å; P113-S117 VanDerWaalsContact O-N 3.09Å; P113-S117 PolarHBondContact O-OG 2.82Å
114H94.9Very high94.2Very high30 Ų3045.9 Ų45.914%0.13924%0.24CC..Hα-helixtrans-77.1-31.4-179.8-60.5-71.4000112.8F110 L111 L112 S117 G118 R119 I120F110-H114 AromaticContact CE2-NE2 3.88Å; F110-H114 AromaticContact CZ-NE2 3.68Å; F110-H114 PolarHBondContact O-CD2 3.26Å; L111-H114 WeakPolarHBondContact O-CA 3.32Å; L111-H114 WeakPolarHBondContact O-CB 3.47Å; L111-H114 PolarHBondContact O-N 2.81Å; L112-H114 VanDerWaalsContact C-N 3.26Å; L112-H114 PolarHBondContact O-N 3.26Å; H114-S117 PolarHBondContact O-OG 2.91Å; H114-G118 PolarHBondContact O-N 2.91Å; H114-R119 PolarHBondContact O-N 3.48Å; H114-I120 HydrophobicContact CB-CB 4.01Å; H114-I120 HydrophobicContact CB-CD1 3.74Å; H114-I120 HydrophobicContact CB-CG1 3.86Å; H114-I120 PolarHBondContact O-N 2.96Å; H114-I120 VanDerWaalsContact O-N 3.12Å
115L93.8Very high94.3Very high14 Ų1442.9 Ų42.97%0.07322%0.224CC..Hα-helixtrans-68.7-43.4172.1-58.9-178.5000110.7L111 L112 G118 I120 M122 I138L111-L115 WeakPolarHBondContact O-CG 3.48Å; L111-L115 PolarHBondContact O-N 3.28Å; L112-L115 PolarHBondContact O-N 2.82Å; L115-G118 PolarHBondContact O-N 2.81Å; L115-I120 HydrophobicContact CD2-CG2 4.35Å; L115-M122 HydrophobicContact CD1-CE 4.32Å; L115-M122 HydrophobicContact CD2-CB 3.51Å; L115-I138 HydrophobicContact CD1-CD1 3.84Å
116E93.1Very high94.4Very high119 Ų11935.8 Ų35.856%0.55619%0.193SC*.Hα-helixtrans-64.3-42178.6-72.9176.5179.600112.6L112 G118 R141L112-E116 WeakPolarHBondContact O-CG 3.25Å; L112-E116 PolarHBondContact O-N 2.95Å; E116-G118 PolarHBondContact O-N 2.91Å; E116-R141 IonicContact OE1-CZ 3.49Å; E116-R141 IonicContact OE1-NE 3.91Å; E116-R141 PolarHBondContact OE1-NE 2.73Å; E116-R141 IonicContact OE1-NH2 3.47Å; E116-R141 PolarHBondContact OE1-NH2 3.13Å
117S91.9Very high94.1Very high61 Ų6135 Ų3543%0.42719%0.188SC..THydrogen-bonded Turntrans-78.2-4-179.9780000113.4P113 H114 R119P113-S117 WeakPolarHBondContact O-CB 3.41Å; P113-S117 PolarHBondContact O-N 2.87Å; P113-S117 VanDerWaalsContact O-N 3.09Å; P113-S117 PolarHBondContact O-OG 2.82Å; H114-S117 PolarHBondContact O-OG 2.91Å; S117-R119 PolarHBondContact O-N 3.07Å; S117-R119 WeakPolarHBondContact OG-CB 3.48Å; S117-R119 WeakPolarHBondContact OG-CD 3.49Å; S117-R119 WeakPolarHBondContact OG-CG 3.45Å; S117-R119 PolarHBondContact OG-N 2.8Å
118G90.5Very high93.8Very high35 Ų3537.3 Ų37.336%0.36120%0.199SC..THydrogen-bonded Turntrans64.815.4-173.500000114.5H114 L115 E116H114-G118 PolarHBondContact O-N 2.91Å; L115-G118 PolarHBondContact O-N 2.81Å; E116-G118 PolarHBondContact O-N 2.91Å
119R92.3Very high93.5Very high130 Ų13039.7 Ų39.749%0.49121%0.213SC..SBendtrans-71.6-38.5177.6-80.2174-175.7154.90.3110.6A87 T92 V93 H114 S117A87-R119 HydrophobicContact CB-CB 4.43Å; A87-R119 WeakPolarHBondContact CB-O 3.47Å; T92-R119 WeakPolarHBondContact CA-O 3.47Å; V93-R119 PolarHBondContact N-O 3Å; V93-R119 VanDerWaalsContact N-O 3.07Å; H114-R119 PolarHBondContact O-N 3.48Å; S117-R119 PolarHBondContact O-N 3.07Å; S117-R119 WeakPolarHBondContact OG-CB 3.48Å; S117-R119 WeakPolarHBondContact OG-CD 3.49Å; S117-R119 WeakPolarHBondContact OG-CG 3.45Å; S117-R119 PolarHBondContact OG-N 2.8Å
120I95.6Very high93.3Very high0 Ų035.4 Ų35.40%019%0.19CC..EExtended strand (participates in β ladder)trans-113.8120.8172.7-64.7177.3000107.6V83 A84 A87 V93 L95 L111 H114 L115 M122V83-I120 HydrophobicContact CG1-CD1 4.37Å; A84-I120 HydrophobicContact CB-CD1 4.12Å; A87-I120 HydrophobicContact CB-CG1 4.35Å; V93-I120 WeakPolarHBondContact O-CA 3.49Å; L95-I120 HydrophobicContact CB-CG2 3.69Å; L95-I120 HydrophobicContact CD2-CG2 4.1Å; L111-I120 HydrophobicContact CD2-CD1 4.09Å; H114-I120 HydrophobicContact CB-CB 4.01Å; H114-I120 HydrophobicContact CB-CD1 3.74Å; H114-I120 HydrophobicContact CB-CG1 3.86Å; H114-I120 PolarHBondContact O-N 2.96Å; H114-I120 VanDerWaalsContact O-N 3.12Å; L115-I120 HydrophobicContact CD2-CG2 4.35Å; I120-M122 HydrophobicContact CG2-CB 4.45Å
121I95.4Very high93.1Very high8 Ų840 Ų404%0.04121%0.207CC..EExtended strand (participates in β ladder)trans-93.1102.8165.9-61.3173.1000106.4L39 Y65 T92 V93 I94 L95L39-I121 HydrophobicContact CB-CD1 4.13Å; L39-I121 HydrophobicContact CD2-CD1 4.28Å; L39-I121 HydrophobicContact CD2-CG2 3.82Å; L39-I121 HydrophobicContact CG-CD1 4.45Å; L39-I121 HydrophobicContact CG-CG2 3.92Å; L39-I121 WeakPolarHBondContact O-CD1 3.37Å; Y65-I121 HydrophobicContact CE2-CD1 4.28Å; T92-I121 HydrophobicContact CG2-CD1 3.56Å; T92-I121 HydrophobicContact CG2-CG1 3.77Å; V93-I121 PolarHBondContact O-N 3.07Å; I94-I121 CarbonylContact C-O 3.38Å; I94-I121 WeakPolarHBondContact CA-O 3.26Å; I94-I121 HydrophobicContact CG1-CB 4.31Å; L95-I121 PolarHBondContact N-O 3.28Å
122M96.7Very high92.6Very high0 Ų046.6 Ų46.60%024%0.241CC..EExtended strand (participates in β ladder)trans-87.2129.3-179.1-177.1-171.27000110.4S41 M42 I43 L95 L97 L111 L115 I120 I138 T142S41-M122 CarbonylContact C-O 3.55Å; S41-M122 WeakPolarHBondContact CA-O 3.39Å; S41-M122 WeakPolarHBondContact CB-O 3.17Å; S41-M122 PolarHBondContact OG-N 3.19Å; M42-M122 PolarHBondContact N-O 3.01Å; I43-M122 HydrophobicContact CD1-CE 3.84Å; L95-M122 CarbonylContact O-C 3.54Å; L95-M122 WeakPolarHBondContact O-CA 3.08Å; L97-M122 HydrophobicContact CB-CG 4.24Å; L97-M122 HydrophobicContact CB-SD 4.45Å; L97-M122 HydrophobicContact CD2-SD 3.89Å; L111-M122 HydrophobicContact CD1-SD 4.39Å; L115-M122 HydrophobicContact CD1-CE 4.32Å; L115-M122 HydrophobicContact CD2-CB 3.51Å; I120-M122 HydrophobicContact CG2-CB 4.45Å; M122-I138 HydrophobicContact CE-CG2 3.75Å; M122-T142 HydrophobicContact CE-CG2 3.78Å
123I97.1Very high92.2Very high0 Ų047.6 Ų47.60%025%0.248CC..EExtended strand (participates in β ladder)trans-108.798.7165.6-55.6175.6000106.6M42 L44 A56 I59 I94 L95 L96 L97M42-I123 HydrophobicContact CG-CB 4.45Å; M42-I123 HydrophobicContact CG-CG1 4.15Å; M42-I123 HydrophobicContact CG-CG2 4.13Å; M42-I123 CarbonylContact O-C 3.48Å; M42-I123 WeakPolarHBondContact O-CA 3.48Å; L44-I123 HydrophobicContact CD1-CG2 3.81Å; L44-I123 HydrophobicContact CG-CG2 4Å; A56-I123 HydrophobicContact CB-CB 4.3Å; A56-I123 HydrophobicContact CB-CD1 4.07Å; A56-I123 HydrophobicContact CB-CG2 3.8Å; I59-I123 HydrophobicContact CB-CD1 4.29Å; I59-I123 HydrophobicContact CD1-CD1 3.9Å; I59-I123 HydrophobicContact CG2-CD1 4.16Å; I94-I123 HydrophobicContact CG2-CD1 3.69Å; I94-I123 HydrophobicContact CG2-CG1 4.14Å; L95-I123 PolarHBondContact O-N 2.9Å; L96-I123 WeakPolarHBondContact CA-O 3.22Å; L96-I123 HydrophobicContact CD1-CG2 4.4Å; L96-I123 VanDerWaalsContact CD1-O 3.24Å; L96-I123 WeakPolarHBondContact CD1-O 3.38Å; L97-I123 PolarHBondContact N-O 3.14Å
124G96.9Very high92Very high0 Ų044.7 Ų44.70%023%0.229CC..EExtended strand (participates in β ladder)trans-81.6135.1175.900000111M42 I43 L44 L97M42-G124 PolarHBondContact O-N 2.99Å; I43-G124 CarbonylContact C-O 3.26Å; I43-G124 WeakPolarHBondContact CA-O 3.49Å; L44-G124 PolarHBondContact N-O 3.32Å; L97-G124 CarbonylContact O-C 3.57Å; L97-G124 WeakPolarHBondContact O-CA 3.44Å
125A95.3Very high91.8Very high0 Ų046 Ų460%024%0.237CC..EExtended strand (participates in β ladder)trans-114.2134.217400000110.9L44 K52 L96 L97 E99 V100L44-A125 WeakPolarHBondContact O-CA 3.4Å; K52-A125 HydrophobicContact CB-CB 4.13Å; K52-A125 HydrophobicContact CD-CB 4.41Å; L96-A125 HydrophobicContact CD1-CB 4.19Å; L97-A125 PolarHBondContact O-N 3.05Å; E99-A125 PolarHBondContact N-O 3.39Å; V100-A125 PolarHBondContact N-O 2.99Å; V100-A125 VanDerWaalsContact N-O 3.1Å
126T93.4Very high91.7Very high1 Ų149.1 Ų49.11%0.00626%0.258CS..EExtended strand (participates in β ladder)trans-149.8152.2178.6-176.90000111.9I43 L44 Y45 G46 K52 V100 H101 E128I43-T126 HydrophobicContact CG2-CG2 4.04Å; L44-T126 PolarHBondContact O-N 3.04Å; L44-T126 VanDerWaalsContact O-N 3.08Å; Y45-T126 VanDerWaalsContact CA-O 3.3Å; Y45-T126 WeakPolarHBondContact CA-O 3.43Å; G46-T126 PolarHBondContact N-O 2.93Å; K52-T126 VanDerWaalsContact CD-O 3.24Å; K52-T126 WeakPolarHBondContact CD-O 3.45Å; K52-T126 VanDerWaalsContact CE-O 3.26Å; K52-T126 WeakPolarHBondContact CE-O 3.46Å; V100-T126 HydrophobicContact CG1-CG2 4.26Å; H101-T126 PolarHBondContact ND1-OG1 3.12Å; T126-E128 WeakPolarHBondContact CG2-O 3.36Å; T126-E128 PolarHBondContact OG1-N 3.29Å; T126-E128 VanDerWaalsContact OG1-N 3.11Å
127T89Confident91.6Very high67 Ų6745 Ų4541%0.41124%0.244SC..SBendtrans-94.3-9.2169.851.70000112.8G46 P48G46-T127 WeakPolarHBondContact O-CA 3.48Å; P48-T127 HydrophobicContact CB-CG2 4.2Å
128E87.7Confident91.7Very high69 Ų6942.1 Ų42.132%0.32222%0.224SC..SBendtrans-96.9161.2-176.7-55.3-175.8170.600112.2H101 T126 P130 T133H101-E128 VanDerWaalsContact CD2-CD 3.41Å; H101-E128 IonicContact CD2-OE1 3.16Å; H101-E128 PolarHBondContact CD2-OE1 2.87Å; H101-E128 IonicContact CD2-OE2 3.69Å; H101-E128 PolarHBondContact CD2-OE2 3.18Å; H101-E128 VanDerWaalsContact CD2-OE2 3.28Å; H101-E128 IonicContact CE1-OE1 2.82Å; H101-E128 IonicContact CG-OE2 3.01Å; H101-E128 IonicContact NE2-OE1 2.71Å; H101-E128 PolarHBondContact NE2-OE1 3.49Å; H101-E128 IonicContact NE2-OE2 3.48Å; T126-E128 WeakPolarHBondContact CG2-O 3.36Å; T126-E128 PolarHBondContact OG1-N 3.29Å; T126-E128 VanDerWaalsContact OG1-N 3.11Å; E128-P130 VanDerWaalsContact O-CD 3.3Å; E128-P130 WeakPolarHBondContact O-CD 3.21Å; E128-T133 HydrophobicContact CB-CG2 3.95Å; E128-T133 WeakPolarHBondContact OE2-CG2 3.34Å
129N86.5Confident91.8Very high74 Ų7443.9 Ų43.940%0.39622%0.22SC..  trans-68.3114.4177.4-177.8-26.6000111.1Y131 I132 T133N129-Y131 VanDerWaalsContact C-N 3.27Å; N129-Y131 PolarHBondContact O-N 2.91Å; N129-Y131 WeakPolarHBondContact OD1-CB 3.42Å; N129-Y131 WeakPolarHBondContact OD1-CD2 3.46Å; N129-Y131 PolarHBondContact OD1-N 3.2Å; N129-I132 HydrophobicContact CB-CD1 4.25Å; N129-I132 PolarHBondContact O-N 2.95Å; N129-I132 VanDerWaalsContact O-N 3.15Å; N129-T133 PolarHBondContact O-N 3.4Å; N129-T133 VanDerWaalsContact O-N 3.11Å; N129-T133 PolarHBondContact O-OG1 2.73Å; N129-T133 VanDerWaalsContact O-OG1 3.08Å
130P90.4Very high91.8Very high1 Ų141.8 Ų41.81%0.00623%0.225CC..Hα-helixtrans-70.8-19.6-172.229.4-36.2000113.9I43 Y45 E128 I132 I134 I144I43-P130 HydrophobicContact CG2-CB 4.13Å; Y45-P130 HydrophobicContact CD1-CG 3.81Å; Y45-P130 VanDerWaalsContact CD2-CD 3.49Å; Y45-P130 HydrophobicContact CD2-CG 4.2Å; Y45-P130 HydrophobicContact CE1-CG 4.27Å; Y45-P130 HydrophobicContact CG-CG 3.77Å; E128-P130 VanDerWaalsContact O-CD 3.3Å; E128-P130 WeakPolarHBondContact O-CD 3.21Å; P130-I132 PolarHBondContact O-N 3.43Å; P130-I134 HydrophobicContact CB-CB 4.43Å; P130-I134 HydrophobicContact CB-CG1 3.76Å; P130-I134 VanDerWaalsContact O-CB 3.31Å; P130-I134 WeakPolarHBondContact O-CB 3.39Å; P130-I134 PolarHBondContact O-N 3.31Å; P130-I134 VanDerWaalsContact O-N 3.17Å; P130-I144 HydrophobicContact CB-CD1 4.43Å; P130-I144 HydrophobicContact CG-CD1 4.31Å; P130-I144 HydrophobicContact CG-CG2 3.61Å
131Y89.6Confident91.7Very high132 Ų13246.2 Ų46.252%0.51824%0.242SC..Hα-helixtrans-70.3-23.9176.6-62.2-79.3000112.2N129 R139 I144N129-Y131 VanDerWaalsContact C-N 3.27Å; N129-Y131 PolarHBondContact O-N 2.91Å; N129-Y131 WeakPolarHBondContact OD1-CB 3.42Å; N129-Y131 WeakPolarHBondContact OD1-CD2 3.46Å; N129-Y131 PolarHBondContact OD1-N 3.2Å; Y131-R139 PolarHBondContact O-NH1 3.28Å; Y131-I144 HydrophobicContact CD1-CD1 4.24Å; Y131-I144 HydrophobicContact CE1-CD1 3.7Å; Y131-I144 HydrophobicContact CE2-CD1 4.42Å; Y131-I144 HydrophobicContact CE2-CG2 4.45Å
132I85.6Confident91.7Very high139 Ų13946.5 Ų46.571%0.71324%0.244SC*.Hα-helixtrans-95.6-44.6178.6-62.4169.2000110.5N129 P130N129-I132 HydrophobicContact CB-CD1 4.25Å; N129-I132 PolarHBondContact O-N 2.95Å; N129-I132 VanDerWaalsContact O-N 3.15Å; P130-I132 PolarHBondContact O-N 3.43Å
133T87.1Confident91.7Very high48 Ų4850.2 Ų50.229%0.29426%0.261SS..Hα-helixtrans-99-22.9-163.364.10000113.7E128 N129E128-T133 HydrophobicContact CB-CG2 3.95Å; E128-T133 WeakPolarHBondContact OE2-CG2 3.34Å; N129-T133 PolarHBondContact O-N 3.4Å; N129-T133 VanDerWaalsContact O-N 3.11Å; N129-T133 PolarHBondContact O-OG1 2.73Å; N129-T133 VanDerWaalsContact O-OG1 3.08Å
134I89.7Confident91.6Very high11 Ų1151.9 Ų51.96%0.05627%0.27CS..SBendtrans-92.8132.4178.1-53.5-61.3000110.5V100 H101 P130 I138 R139V100-I134 HydrophobicContact CB-CD1 4.45Å; V100-I134 HydrophobicContact CG1-CD1 3.79Å; V100-I134 HydrophobicContact CG2-CD1 4.29Å; H101-I134 HydrophobicContact CB-CD1 4.12Å; P130-I134 HydrophobicContact CB-CB 4.43Å; P130-I134 HydrophobicContact CB-CG1 3.76Å; P130-I134 VanDerWaalsContact O-CB 3.31Å; P130-I134 WeakPolarHBondContact O-CB 3.39Å; P130-I134 PolarHBondContact O-N 3.31Å; P130-I134 VanDerWaalsContact O-N 3.17Å; I134-I138 HydrophobicContact CG2-CB 4.04Å; I134-I138 HydrophobicContact CG2-CG2 3.96Å; I134-R139 PolarHBondContact O-NH1 3.4Å
135N89.6Confident91.6Very high57 Ų5753 Ų5331%0.30527%0.274SS..  trans-54.5132.5177.3-175.1-40000111.1Q108 A137 I138 R139Q108-N135 PolarHBondContact OE1-ND2 3.31Å; N135-A137 PolarHBondContact O-N 3.42Å; N135-A137 WeakPolarHBondContact OD1-CB 3.31Å; N135-A137 PolarHBondContact OD1-N 3.49Å; N135-I138 PolarHBondContact O-N 3.06Å; N135-I138 VanDerWaalsContact O-N 3.08Å; N135-R139 PolarHBondContact O-N 2.9Å
136P91.9Very high91.6Very high80 Ų8057.6 Ų57.652%0.51930%0.296SS..Hα-helixtrans-47.9-34.3175.6-29.834.9000115.3R139 S140P136-R139 PolarHBondContact O-N 2.96Å; P136-S140 WeakPolarHBondContact O-CB 3.3Å; P136-S140 PolarHBondContact O-N 3.37Å; P136-S140 PolarHBondContact O-OG 2.79Å
137A91.5Very high91.7Very high31 Ų3157.6 Ų57.626%0.25630%0.296SS..Hα-helixtrans-68-38-179.400000113.5L112 N135 S140 R141L112-A137 HydrophobicContact CD1-CB 4.19Å; L112-A137 HydrophobicContact CD2-CB 4.22Å; N135-A137 PolarHBondContact O-N 3.42Å; N135-A137 WeakPolarHBondContact OD1-CB 3.31Å; N135-A137 PolarHBondContact OD1-N 3.49Å; A137-S140 PolarHBondContact O-OG 3.36Å; A137-S140 VanDerWaalsContact O-OG 3.14Å; A137-R141 PolarHBondContact O-NH1 3.34Å
138I93.4Very high91.8Very high2 Ų259.4 Ų59.41%0.0130%0.298CS..Hα-helixtrans-72.7-47.3172.4-64.2-67.4000108.7Q108 L112 L115 M122 I134 N135 S140 R141 T142Q108-I138 HydrophobicContact CB-CD1 4.45Å; Q108-I138 HydrophobicContact CB-CG1 4.47Å; Q108-I138 HydrophobicContact CG-CD1 4.47Å; Q108-I138 HydrophobicContact CG-CG1 4.12Å; L112-I138 HydrophobicContact CD2-CD1 3.81Å; L112-I138 HydrophobicContact CG-CD1 4.2Å; L115-I138 HydrophobicContact CD1-CD1 3.84Å; M122-I138 HydrophobicContact CE-CG2 3.75Å; I134-I138 HydrophobicContact CG2-CB 4.04Å; I134-I138 HydrophobicContact CG2-CG2 3.96Å; N135-I138 PolarHBondContact O-N 3.06Å; N135-I138 VanDerWaalsContact O-N 3.08Å; I138-S140 VanDerWaalsContact C-N 3.26Å; I138-S140 PolarHBondContact O-N 3.25Å; I138-R141 PolarHBondContact O-N 2.93Å; I138-T142 HydrophobicContact CG2-CG2 4.09Å; I138-T142 WeakPolarHBondContact O-CG2 3.49Å; I138-T142 PolarHBondContact O-N 2.97Å; I138-T142 PolarHBondContact O-OG1 3.33Å
139R93.3Very high91.7Very high72 Ų7259.5 Ų59.527%0.27231%0.305SS..Hα-helixtrans-55.9-38.7-178.3-172.6172.164.5-131.67.3112.9Y131 I134 N135 P136 R141 T142 I144Y131-R139 PolarHBondContact O-NH1 3.28Å; I134-R139 PolarHBondContact O-NH1 3.4Å; N135-R139 PolarHBondContact O-N 2.9Å; P136-R139 PolarHBondContact O-N 2.96Å; R139-R141 PolarHBondContact O-N 3.39Å; R139-T142 WeakPolarHBondContact CA-OG1 3.1Å; R139-T142 PolarHBondContact O-N 3.25Å; R139-T142 PolarHBondContact O-OG1 2.93Å; R139-I144 HydrophobicContact CG-CD1 3.55Å
140S92.9Very high91.9Very high86 Ų8656.5 Ų56.560%0.60129%0.289SS*.THydrogen-bonded Turntrans-68.5-13.8179.372.60000114P136 A137 I138P136-S140 WeakPolarHBondContact O-CB 3.3Å; P136-S140 PolarHBondContact O-N 3.37Å; P136-S140 PolarHBondContact O-OG 2.79Å; A137-S140 PolarHBondContact O-OG 3.36Å; A137-S140 VanDerWaalsContact O-OG 3.14Å; I138-S140 VanDerWaalsContact C-N 3.26Å; I138-S140 PolarHBondContact O-N 3.25Å
141R93.6Very high92Very high93 Ų9360.6 Ų60.635%0.35131%0.311SS..THydrogen-bonded Turntrans-111.45.6-178.8-69.1163.3-178.8705.4112.5E116 A137 I138 R139E116-R141 IonicContact OE1-CZ 3.49Å; E116-R141 IonicContact OE1-NE 3.91Å; E116-R141 PolarHBondContact OE1-NE 2.73Å; E116-R141 IonicContact OE1-NH2 3.47Å; E116-R141 PolarHBondContact OE1-NH2 3.13Å; A137-R141 PolarHBondContact O-NH1 3.34Å; I138-R141 PolarHBondContact O-N 2.93Å; R139-R141 PolarHBondContact O-N 3.39Å
142T94.3Very high92Very high13 Ų1356.2 Ų56.28%0.0830%0.295CS..SBendtrans-129.8141.8-177.758.30000111.1S41 I43 M122 I138 R139S41-T142 CarbonylContact O-C 3.51Å; S41-T142 VanDerWaalsContact O-CA 3.23Å; S41-T142 WeakPolarHBondContact O-CA 3.33Å; I43-T142 HydrophobicContact CD1-CG2 4.33Å; I43-T142 HydrophobicContact CG1-CG2 4.29Å; M122-T142 HydrophobicContact CE-CG2 3.78Å; I138-T142 HydrophobicContact CG2-CG2 4.09Å; I138-T142 WeakPolarHBondContact O-CG2 3.49Å; I138-T142 PolarHBondContact O-N 2.97Å; I138-T142 PolarHBondContact O-OG1 3.33Å; R139-T142 WeakPolarHBondContact CA-OG1 3.1Å; R139-T142 PolarHBondContact O-N 3.25Å; R139-T142 PolarHBondContact O-OG1 2.93Å
143Q95.8Very high92.4Very high79 Ų7956.7 Ų56.737%0.36929%0.294SS..EExtended strand (participates in β ladder)trans-77.9144.5164.8-56.1-160.232.200110M33 S40 S41 M42 I43 F145M33-Q143 HydrophobicContact CE-CG 4.45Å; S40-Q143 PolarHBondContact OG-NE2 3.01Å; S41-Q143 PolarHBondContact O-N 3.1Å; M42-Q143 CarbonylContact C-O 3.59Å; M42-Q143 WeakPolarHBondContact CA-O 3.5Å; M42-Q143 HydrophobicContact CB-CB 4.36Å; M42-Q143 WeakPolarHBondContact CB-O 3.39Å; I43-Q143 PolarHBondContact N-O 3.12Å; Q143-F145 HydrophobicContact CB-CE1 4.43Å; Q143-F145 HydrophobicContact CB-CE2 3.72Å; Q143-F145 HydrophobicContact CB-CZ 3.68Å; Q143-F145 HydrophobicContact CG-CZ 4.49Å
144I96Very high92.8Very high35 Ų3556 Ų5618%0.17929%0.288CS..EExtended strand (participates in β ladder)trans-110.5123.9179.5-61.2171.2000108.2I43 Y45 P130 Y131 R139I43-I144 HydrophobicContact CB-CG1 4.4Å; Y45-I144 HydrophobicContact CD1-CG2 3.56Å; Y45-I144 HydrophobicContact CE1-CG2 3.51Å; P130-I144 HydrophobicContact CB-CD1 4.43Å; P130-I144 HydrophobicContact CG-CD1 4.31Å; P130-I144 HydrophobicContact CG-CG2 3.61Å; Y131-I144 HydrophobicContact CD1-CD1 4.24Å; Y131-I144 HydrophobicContact CE1-CD1 3.7Å; Y131-I144 HydrophobicContact CE2-CD1 4.42Å; Y131-I144 HydrophobicContact CE2-CG2 4.45Å; R139-I144 HydrophobicContact CG-CD1 3.55Å
145F96.6Very high93Very high22 Ų2255.4 Ų55.410%0.09629%0.286CS..EExtended strand (participates in β ladder)trans-124.4130.6178-59-59.4000111.1L23 I29 I30 M33 M42 I43 L44 Y45 Q143L23-F145 HydrophobicContact CD1-CB 4.14Å; L23-F145 HydrophobicContact CD2-CB 3.95Å; L23-F145 HydrophobicContact CD2-CD1 3.9Å; L23-F145 HydrophobicContact CD2-CG 4.07Å; I29-F145 HydrophobicContact CB-CE1 4.34Å; I29-F145 HydrophobicContact CG1-CE1 3.79Å; I29-F145 HydrophobicContact CG1-CZ 3.73Å; I29-F145 HydrophobicContact CG2-CD1 4.08Å; I29-F145 HydrophobicContact CG2-CE1 3.59Å; I29-F145 HydrophobicContact CG2-CZ 4.02Å; I30-F145 HydrophobicContact CD1-CD2 4.14Å; I30-F145 HydrophobicContact CG1-CD2 4.21Å; I30-F145 HydrophobicContact CG1-CE2 4.2Å; M33-F145 HydrophobicContact CE-CE2 4.31Å; M33-F145 HydrophobicContact CE-CZ 3.85Å; M42-F145 HydrophobicContact CB-CD2 4.05Å; M42-F145 HydrophobicContact CB-CE2 4.02Å; M42-F145 HydrophobicContact CE-CE2 4.28Å; M42-F145 HydrophobicContact CG-CD2 4.48Å; M42-F145 HydrophobicContact SD-CD2 3.93Å; M42-F145 HydrophobicContact SD-CE2 3.99Å; I43-F145 PolarHBondContact O-N 2.83Å; L44-F145 WeakPolarHBondContact CA-O 3.26Å; L44-F145 HydrophobicContact CD2-CB 3.9Å; L44-F145 HydrophobicContact CD2-CD2 4.24Å; Y45-F145 VanDerWaalsContact CD1-O 3.25Å; Y45-F145 WeakPolarHBondContact CD1-O 3.34Å; Y45-F145 PolarHBondContact N-O 3.04Å; Q143-F145 HydrophobicContact CB-CE1 4.43Å; Q143-F145 HydrophobicContact CB-CE2 3.72Å; Q143-F145 HydrophobicContact CB-CZ 3.68Å; Q143-F145 HydrophobicContact CG-CZ 4.49Å
146E95.7Very high93.3Very high98 Ų9854 Ų5446%0.45828%0.277SS..EExtended strand (participates in β ladder)trans-86125.1174.8-168.3-177.9-176.300110.6H22 Y45H22-E146 PolarHBondContact NE2-O 3.26Å; H22-E146 VanDerWaalsContact NE2-O 3.1Å; Y45-E146 HydrophobicContact CD1-CB 4.32Å; Y45-E146 HydrophobicContact CE1-CB 3.56Å; Y45-E146 HydrophobicContact CE1-CG 4.09Å; Y45-E146 HydrophobicContact CE2-CB 4.4Å; Y45-E146 HydrophobicContact CE2-CG 4.03Å; Y45-E146 WeakPolarHBondContact O-CA 3.44Å
147V94.6Very high93.5Very high0 Ų053.7 Ų53.70%028%0.275CS..PPolyproline II helixtrans-95.9116.5172.7-175.50000108Q20 L23 L44 Y45 T50 K52 I55Q20-V147 VanDerWaalsContact CD-CG1 3.43Å; Q20-V147 HydrophobicContact CG-CG1 4.03Å; L23-V147 HydrophobicContact CD1-CG2 4.42Å; L44-V147 HydrophobicContact CB-CG2 4.06Å; L44-V147 HydrophobicContact CD2-CG2 4.46Å; Y45-V147 PolarHBondContact O-N 3.06Å; T50-V147 VanDerWaalsContact O-CG1 3.28Å; T50-V147 WeakPolarHBondContact O-CG1 3.42Å; T50-V147 WeakPolarHBondContact OG1-CG1 3.48Å; K52-V147 HydrophobicContact CG-CB 4.11Å; K52-V147 HydrophobicContact CG-CG1 4.4Å; K52-V147 HydrophobicContact CG-CG2 3.9Å; I55-V147 HydrophobicContact CD1-CG1 4.12Å; I55-V147 HydrophobicContact CD1-CG2 3.86Å
148K91Very high93.7Very high105 Ų10552.6 Ų52.646%0.45727%0.265SS..PPolyproline II helixtrans-81.5157.6-174.2-65.7-177.5177.5-175.60111.1Q20 T50Q20-K148 PolarHBondContact NE2-O 3.34Å; T50-K148 WeakPolarHBondContact CB-O 3.39Å
149P87.5Confident93.9Very high72 Ų7252.5 Ų52.547%0.46827%0.265SS..PPolyproline II helixtrans-51.6141.8163-22.933.7000110.8P47P47-P149 HydrophobicContact CG-CG 4.31Å
150L90.8Very high94.1Very high11 Ų1153.9 Ų53.96%0.05827%0.273CS..PPolyproline II helixtrans-73.3146.1171-63171.1000109.2V18 D154 V155 G191 L193V18-L150 WeakPolarHBondContact O-CD2 3.4Å; L150-D154 HydrophobicContact CB-CB 3.94Å; L150-D154 HydrophobicContact CD2-CB 4.12Å; L150-D154 WeakPolarHBondContact CD2-OD2 3.32Å; L150-D154 HydrophobicContact CG-CB 4.48Å; L150-V155 HydrophobicContact CB-CG2 4.17Å; L150-G191 WeakPolarHBondContact O-CA 3.34Å; L150-L193 HydrophobicContact CD1-CB 3.56Å; L150-L193 HydrophobicContact CD1-CD2 4.09Å; L150-L193 HydrophobicContact CD1-CG 4.42Å
151D90.9Very high94.2Very high87 Ų8752.5 Ų52.547%0.46526%0.263SS..  trans-79.2174.8169.458.737.3000111.1E153 D154 V155D151-E153 VanDerWaalsContact C-N 3.32Å; D151-E153 PolarHBondContact OD1-N 2.97Å; D151-D154 VanDerWaalsContact OD1-CB 3.22Å; D151-D154 WeakPolarHBondContact OD1-CB 3.48Å; D151-D154 PolarHBondContact OD1-N 3.39Å; D151-V155 WeakPolarHBondContact O-CG2 3.48Å; D151-V155 PolarHBondContact O-N 3.12Å
152E90.7Very high94.4Very high39 Ų3948.1 Ų48.118%0.18225%0.247CC..Hα-helixtrans-65.3-37.7-179.3-71.3170.9-142.500111.6V155 I156 A186 R187 Y241E152-V155 PolarHBondContact O-N 2.68Å; E152-I156 WeakPolarHBondContact O-CB 3.41Å; E152-I156 VanDerWaalsContact O-CG1 3.23Å; E152-I156 WeakPolarHBondContact O-CG1 3.32Å; E152-I156 PolarHBondContact O-N 3.22Å; E152-A186 HydrophobicContact CB-CB 4.27Å; E152-A186 HydrophobicContact CG-CB 4.45Å; E152-R187 HydrophobicContact CG-CG 4.01Å; E152-R187 WeakPolarHBondContact OE1-CG 3.22Å; E152-R187 IonicContact OE1-NE 3.57Å; E152-R187 WeakPolarHBondContact OE2-CG 3.39Å; E152-R187 IonicContact OE2-CZ 2.82Å; E152-R187 IonicContact OE2-NE 3.52Å; E152-R187 PolarHBondContact OE2-NE 3.29Å; E152-R187 IonicContact OE2-NH2 3.23Å; E152-Y241 WeakPolarHBondContact OE1-CE2 3.47Å; E152-Y241 VanDerWaalsContact OE1-CZ 3.31Å; E152-Y241 PolarHBondContact OE1-OH 3.03Å
153E93.9Very high94.6Very high150 Ų15049 Ų4970%0.70125%0.25SS*.Hα-helixtrans-64.8-40.9-179.7-66.3-176.9-177.600112.1D151 I156 T157D151-E153 VanDerWaalsContact C-N 3.32Å; D151-E153 PolarHBondContact OD1-N 2.97Å; E153-I156 PolarHBondContact O-N 2.9Å; E153-T157 WeakPolarHBondContact O-CB 3.09Å; E153-T157 PolarHBondContact O-N 3.26Å; E153-T157 PolarHBondContact O-OG1 3.12Å
154D94.9Very high94.6Very high32 Ų3251.3 Ų51.317%0.17127%0.265CS..Hα-helixtrans-56.1-51.7171.2-83-30.8000110.2V18 G19 L150 D151 I156 T157 A158V18-D154 HydrophobicContact CG1-CB 3.68Å; V18-D154 WeakPolarHBondContact CG1-O 3.44Å; G19-D154 WeakPolarHBondContact CA-OD1 3.24Å; G19-D154 WeakPolarHBondContact CA-OD2 3.32Å; G19-D154 PolarHBondContact N-OD1 2.92Å; G19-D154 VanDerWaalsContact N-OD1 3.07Å; L150-D154 HydrophobicContact CB-CB 3.94Å; L150-D154 HydrophobicContact CD2-CB 4.12Å; L150-D154 WeakPolarHBondContact CD2-OD2 3.32Å; L150-D154 HydrophobicContact CG-CB 4.48Å; D151-D154 VanDerWaalsContact OD1-CB 3.22Å; D151-D154 WeakPolarHBondContact OD1-CB 3.48Å; D151-D154 PolarHBondContact OD1-N 3.39Å; D154-I156 PolarHBondContact O-N 3.26Å; D154-T157 WeakPolarHBondContact O-CB 3.22Å; D154-T157 PolarHBondContact O-N 3.28Å; D154-A158 PolarHBondContact O-N 2.89Å
155V94.5Very high94.6Very high0 Ų051.1 Ų51.10%027%0.265CS..Hα-helixtrans-64.4-43-178.8179.20000111.1L150 D151 E152 T157 A158 V159 A186 L193 A196L150-V155 HydrophobicContact CB-CG2 4.17Å; D151-V155 WeakPolarHBondContact O-CG2 3.48Å; D151-V155 PolarHBondContact O-N 3.12Å; E152-V155 PolarHBondContact O-N 2.68Å; V155-T157 VanDerWaalsContact C-N 3.33Å; V155-T157 PolarHBondContact O-N 3.01Å; V155-A158 PolarHBondContact O-N 3.38Å; V155-V159 HydrophobicContact CG1-CG2 4.34Å; V155-V159 WeakPolarHBondContact O-CG2 3.3Å; V155-V159 PolarHBondContact O-N 3.45Å; V155-A186 HydrophobicContact CB-CB 4.05Å; V155-A186 HydrophobicContact CG1-CB 4Å; V155-L193 HydrophobicContact CG1-CD1 4.32Å; V155-A196 HydrophobicContact CG1-CB 3.66Å
156I96.1Very high94.6Very high26 Ų2657 Ų5713%0.13329%0.291CS..Hα-helixtrans-57.9-46.7175.1-73.4167.6000110.6E152 E153 D154 A158 V159 K160 L182 N183 A186E152-I156 WeakPolarHBondContact O-CB 3.41Å; E152-I156 VanDerWaalsContact O-CG1 3.23Å; E152-I156 WeakPolarHBondContact O-CG1 3.32Å; E152-I156 PolarHBondContact O-N 3.22Å; E153-I156 PolarHBondContact O-N 2.9Å; D154-I156 PolarHBondContact O-N 3.26Å; I156-A158 VanDerWaalsContact C-N 3.32Å; I156-A158 PolarHBondContact O-N 3.45Å; I156-V159 PolarHBondContact O-N 2.95Å; I156-K160 HydrophobicContact CG2-CD 4.15Å; I156-K160 WeakPolarHBondContact O-CG 3.38Å; I156-K160 PolarHBondContact O-N 3.46Å; I156-L182 HydrophobicContact CG1-CD1 4.22Å; I156-L182 HydrophobicContact CG1-CG 4.16Å; I156-L182 HydrophobicContact CG2-CD1 4.4Å; I156-L182 HydrophobicContact CG2-CD2 4.02Å; I156-L182 HydrophobicContact CG2-CG 4.35Å; I156-N183 WeakPolarHBondContact CD1-OD1 3.42Å; I156-A186 HydrophobicContact CD1-CB 4.34Å; I156-A186 HydrophobicContact CG1-CB 3.79Å
157T95.7Very high94.6Very high75 Ų7560 Ų6046%0.4631%0.305SS..Hα-helixtrans-60.1-43.4178.8-60.90000111.4E153 D154 V155 S161E153-T157 WeakPolarHBondContact O-CB 3.09Å; E153-T157 PolarHBondContact O-N 3.26Å; E153-T157 PolarHBondContact O-OG1 3.12Å; D154-T157 WeakPolarHBondContact O-CB 3.22Å; D154-T157 PolarHBondContact O-N 3.28Å; V155-T157 VanDerWaalsContact C-N 3.33Å; V155-T157 PolarHBondContact O-N 3.01Å; T157-S161 WeakPolarHBondContact O-CB 3.46Å; T157-S161 PolarHBondContact O-N 2.92Å; T157-S161 PolarHBondContact O-OG 3.12Å
158A95.9Very high94.6Very high7 Ų761.9 Ų61.96%0.05831%0.312CS..Hα-helixtrans-66.8-39.8177.400000112.9V18 D154 V155 I156 S161 A162 L193V18-A158 HydrophobicContact CB-CB 4.45Å; V18-A158 HydrophobicContact CG1-CB 4.16Å; V18-A158 HydrophobicContact CG2-CB 3.97Å; D154-A158 PolarHBondContact O-N 2.89Å; V155-A158 PolarHBondContact O-N 3.38Å; I156-A158 VanDerWaalsContact C-N 3.32Å; I156-A158 PolarHBondContact O-N 3.45Å; A158-S161 PolarHBondContact O-N 3.37Å; A158-A162 WeakPolarHBondContact O-CB 3.26Å; A158-A162 PolarHBondContact O-N 2.84Å; A158-L193 HydrophobicContact CB-CD1 3.35Å; A158-L193 HydrophobicContact CB-CD2 3.77Å; A158-L193 HydrophobicContact CB-CG 4.21Å
159V97Very high94.8Very high0 Ų057.1 Ų57.10%029%0.293CS..Hα-helixtrans-64.1-48.1176.8165.90000110.5V155 I156 S161 A162 L163 L177 L182 L185 L200V155-V159 HydrophobicContact CG1-CG2 4.34Å; V155-V159 WeakPolarHBondContact O-CG2 3.3Å; V155-V159 PolarHBondContact O-N 3.45Å; I156-V159 PolarHBondContact O-N 2.95Å; V159-S161 VanDerWaalsContact C-N 3.35Å; V159-S161 PolarHBondContact O-N 3.18Å; V159-A162 WeakPolarHBondContact O-CB 3.39Å; V159-A162 PolarHBondContact O-N 3.22Å; V159-A162 VanDerWaalsContact O-N 3.12Å; V159-L163 HydrophobicContact CG1-CD1 4.18Å; V159-L163 WeakPolarHBondContact O-CG 3.39Å; V159-L163 PolarHBondContact O-N 3.38Å; V159-L177 HydrophobicContact CG1-CD2 3.97Å; V159-L182 HydrophobicContact CB-CD1 3.89Å; V159-L182 HydrophobicContact CG1-CD1 3.47Å; V159-L182 VanDerWaalsContact CG1-CD1 3.47Å; V159-L185 HydrophobicContact CG1-CD2 4.28Å; V159-L185 HydrophobicContact CG2-CD2 3.81Å; V159-L200 HydrophobicContact CB-CD2 4.5Å; V159-L200 HydrophobicContact CG1-CD1 4.22Å; V159-L200 HydrophobicContact CG1-CD2 3.87Å; V159-L200 HydrophobicContact CG2-CD2 4.48Å
160K97Very high95.2Very high102 Ų10253.8 Ų53.844%0.44327%0.271SS..Hα-helixtrans-58.1-47.6175.2-73.8179.8173.2177.60111.3I156 A162 L163 D164I156-K160 HydrophobicContact CG2-CD 4.15Å; I156-K160 WeakPolarHBondContact O-CG 3.38Å; I156-K160 PolarHBondContact O-N 3.46Å; K160-A162 VanDerWaalsContact C-N 3.26Å; K160-A162 PolarHBondContact O-N 3.49Å; K160-L163 PolarHBondContact O-N 2.87Å; K160-D164 PolarHBondContact O-N 2.96Å
161S96.5Very high95.4Very high57 Ų5754.2 Ų54.240%0.39928%0.278SS..Hα-helixtrans-59.1-37.3176-62.40000112.5T157 A158 V159 D165T157-S161 WeakPolarHBondContact O-CB 3.46Å; T157-S161 PolarHBondContact O-N 2.92Å; T157-S161 PolarHBondContact O-OG 3.12Å; A158-S161 PolarHBondContact O-N 3.37Å; V159-S161 VanDerWaalsContact C-N 3.35Å; V159-S161 PolarHBondContact O-N 3.18Å; S161-D165 VanDerWaalsContact O-CB 3.32Å; S161-D165 WeakPolarHBondContact O-CB 3.22Å; S161-D165 PolarHBondContact O-N 3.37Å; S161-D165 VanDerWaalsContact O-N 3.07Å
162A97.4Very high95.6Very high0 Ų056.8 Ų56.80%029%0.287CS..Hα-helixtrans-70-34.1175.600000112.7L5 M9 A158 V159 K160 G169 L170 L197 L200L5-A162 HydrophobicContact CD2-CB 4.29Å; M9-A162 HydrophobicContact CE-CB 3.92Å; M9-A162 HydrophobicContact CG-CB 4.02Å; M9-A162 HydrophobicContact SD-CB 4.15Å; A158-A162 WeakPolarHBondContact O-CB 3.26Å; A158-A162 PolarHBondContact O-N 2.84Å; V159-A162 WeakPolarHBondContact O-CB 3.39Å; V159-A162 PolarHBondContact O-N 3.22Å; V159-A162 VanDerWaalsContact O-N 3.12Å; K160-A162 VanDerWaalsContact C-N 3.26Å; K160-A162 PolarHBondContact O-N 3.49Å; A162-G169 CarbonylContact O-C 3.54Å; A162-G169 VanDerWaalsContact O-CA 3.26Å; A162-G169 WeakPolarHBondContact O-CA 3.4Å; A162-L170 PolarHBondContact O-N 2.75Å; A162-L197 HydrophobicContact CB-CD2 3.74Å; A162-L200 HydrophobicContact CB-CD2 4.34Å
163L97.6Very high95.8Very high31 Ų3158.7 Ų58.716%0.16229%0.293CS..Hα-helixtrans-72.2-31.9175.1-69.7172.4000112.4V159 K160 L170 G171 V175 L177 L200V159-L163 HydrophobicContact CG1-CD1 4.18Å; V159-L163 WeakPolarHBondContact O-CG 3.39Å; V159-L163 PolarHBondContact O-N 3.38Å; K160-L163 PolarHBondContact O-N 2.87Å; L163-L170 HydrophobicContact CD2-CB 4.31Å; L163-L170 HydrophobicContact CD2-CD1 4.21Å; L163-G171 WeakPolarHBondContact O-CA 3.42Å; L163-G171 PolarHBondContact O-N 3.4Å; L163-V175 HydrophobicContact CD2-CB 3.87Å; L163-V175 HydrophobicContact CD2-CG1 3.73Å; L163-V175 HydrophobicContact CD2-CG2 4.13Å; L163-L177 HydrophobicContact CD1-CB 4.28Å; L163-L177 HydrophobicContact CD1-CD2 3.93Å; L163-L200 HydrophobicContact CD2-CD1 4.28Å; L163-L200 HydrophobicContact CD2-CD2 4.28Å; L163-L200 HydrophobicContact CG-CD2 4.29Å
164D96.8Very high95.9Very high128 Ų12854.1 Ų54.168%0.68428%0.276SS*.Hα-helixtrans-86.6-24.6-177.8-66.1-27.6000113.7K160 K166K160-D164 PolarHBondContact O-N 2.96Å; D164-K166 PolarHBondContact O-N 2.93Å
165D96.6Very high96Very high32 Ų3254.2 Ų54.217%0.17128%0.278CS..  trans-75.5108-178.3-171-32.2000111.2M9 S161 E167 R168 G169 L170 G171M9-D165 HydrophobicContact CE-CB 4.28Å; M9-D165 HydrophobicContact SD-CB 4.37Å; S161-D165 VanDerWaalsContact O-CB 3.32Å; S161-D165 WeakPolarHBondContact O-CB 3.22Å; S161-D165 PolarHBondContact O-N 3.37Å; S161-D165 VanDerWaalsContact O-N 3.07Å; D165-E167 PolarHBondContact OD1-N 3.23Å; D165-R168 PolarHBondContact OD1-N 3.32Å; D165-R168 IonicContact OD2-CZ 3.16Å; D165-R168 IonicContact OD2-NE 2.74Å; D165-R168 PolarHBondContact OD2-NE 3.4Å; D165-R168 IonicContact OD2-NH2 2.77Å; D165-R168 PolarHBondContact OD2-NH2 3.33Å; D165-G169 CarbonylContact O-C 3.45Å; D165-G169 VanDerWaalsContact O-C 3.26Å; D165-G169 WeakPolarHBondContact O-CA 3.33Å; D165-G169 PolarHBondContact O-N 3.27Å; D165-L170 PolarHBondContact O-N 2.77Å; D165-G171 PolarHBondContact O-N 2.8Å
166K95.6Very high96.1Very high146 Ų14657.9 Ų57.964%0.63530%0.295SS*.THydrogen-bonded Turntrans-73.6-25.1178.8-65.4-172.4178.9-175.30114.4D164D164-K166 PolarHBondContact O-N 2.93Å
167E95Very high96.2Very high160 Ų16058.1 Ų58.175%0.74830%0.297SS*.THydrogen-bonded Turntrans-88.2-48-175-174.5-173.917200110.9D165D165-E167 PolarHBondContact OD1-N 3.23Å
168R94.6Very high96.2Very high39 Ų3956.5 Ų56.515%0.14729%0.285CS..THydrogen-bonded Turntrans-111.5-24.8-172-54.8-175.8-60.7158.7-14.2113.1R8 M9 R10 E16 D165R8-R168 HydrophobicContact CB-CB 4.4Å; R8-R168 WeakPolarHBondContact CB-O 3.45Å; R8-R168 PolarHBondContact NH1-O 3.2Å; R8-R168 PolarHBondContact O-NH1 3.05Å; M9-R168 HydrophobicContact SD-CB 4.12Å; R10-R168 PolarHBondContact O-NH1 2.87Å; E16-R168 IonicContact OE1-NH2 2.79Å; E16-R168 IonicContact OE2-CZ 3.44Å; E16-R168 IonicContact OE2-NH1 3.86Å; E16-R168 IonicContact OE2-NH2 3.17Å; E16-R168 PolarHBondContact OE2-NH2 2.92Å; D165-R168 PolarHBondContact OD1-N 3.32Å; D165-R168 IonicContact OD2-CZ 3.16Å; D165-R168 IonicContact OD2-NE 2.74Å; D165-R168 PolarHBondContact OD2-NE 3.4Å; D165-R168 IonicContact OD2-NH2 2.77Å; D165-R168 PolarHBondContact OD2-NH2 3.33Å
169G95.9Very high96.2Very high6 Ų663.3 Ų63.36%0.06232%0.316CS..SBendtrans-93-137.9-174.100000113.4R8 M9 A162 D165R8-G169 PolarHBondContact NH1-O 2.77Å; M9-G169 VanDerWaalsContact SD-CA 3.51Å; A162-G169 CarbonylContact O-C 3.54Å; A162-G169 VanDerWaalsContact O-CA 3.26Å; A162-G169 WeakPolarHBondContact O-CA 3.4Å; D165-G169 CarbonylContact O-C 3.45Å; D165-G169 VanDerWaalsContact O-C 3.26Å; D165-G169 WeakPolarHBondContact O-CA 3.33Å; D165-G169 PolarHBondContact O-N 3.27Å
170L96.1Very high95.8Very high1 Ų166.9 Ų66.91%0.00533%0.333CS..SBendtrans-11814.3-179.7-61.9175.3000111.3L5 A162 L163 D165 E172 Y173 L200 T204L5-L170 HydrophobicContact CD1-CD2 4.4Å; L5-L170 HydrophobicContact CD1-CG 4.08Å; L5-L170 HydrophobicContact CD2-CD1 3.74Å; L5-L170 HydrophobicContact CD2-CG 3.96Å; A162-L170 PolarHBondContact O-N 2.75Å; L163-L170 HydrophobicContact CD2-CB 4.31Å; L163-L170 HydrophobicContact CD2-CD1 4.21Å; D165-L170 PolarHBondContact O-N 2.77Å; L170-E172 PolarHBondContact O-N 2.93Å; L170-Y173 HydrophobicContact CB-CD2 4.13Å; L170-Y173 HydrophobicContact CD2-CD2 3.92Å; L170-Y173 HydrophobicContact CD2-CE2 3.94Å; L170-Y173 WeakPolarHBondContact O-CA 3.38Å; L170-Y173 WeakPolarHBondContact O-CB 3.38Å; L170-Y173 PolarHBondContact O-N 3.41Å; L170-L200 HydrophobicContact CD1-CD2 3.97Å; L170-L200 HydrophobicContact CD1-CG 3.9Å; L170-T204 HydrophobicContact CD1-CG2 4.17Å; L170-T204 HydrophobicContact CD2-CG2 4.3Å
171G95.3Very high95.7Very high20 Ų2062 Ų6221%0.20631%0.312CS..THydrogen-bonded Turntrans-64.4-11.5-177.100000115.9L163 D165 Y173L163-G171 WeakPolarHBondContact O-CA 3.42Å; L163-G171 PolarHBondContact O-N 3.4Å; D165-G171 PolarHBondContact O-N 2.8Å; G171-Y173 VanDerWaalsContact C-N 3.35Å
172E94Very high95.6Very high142 Ų14260 Ų6066%0.66430%0.296SS*.THydrogen-bonded Turntrans-83.6-11.6170.3-66.1-63.4132.700112.9L170L170-E172 PolarHBondContact O-N 2.93Å
173Y95.7Very high95.4Very high78 Ų7862 Ų6231%0.30631%0.307SS..SBendtrans-95.3129.1176-63.2-98.7000108.9L170 G171 V175 T204 K205 I215L170-Y173 HydrophobicContact CB-CD2 4.13Å; L170-Y173 HydrophobicContact CD2-CD2 3.92Å; L170-Y173 HydrophobicContact CD2-CE2 3.94Å; L170-Y173 WeakPolarHBondContact O-CA 3.38Å; L170-Y173 WeakPolarHBondContact O-CB 3.38Å; L170-Y173 PolarHBondContact O-N 3.41Å; G171-Y173 VanDerWaalsContact C-N 3.35Å; Y173-V175 PolarHBondContact O-N 3.24Å; Y173-T204 HydrophobicContact CD1-CG2 3.74Å; Y173-T204 HydrophobicContact CD2-CG2 4.33Å; Y173-T204 HydrophobicContact CE1-CG2 4.45Å; Y173-T204 HydrophobicContact CG-CG2 3.68Å; Y173-K205 HydrophobicContact CE1-CG 4.42Å; Y173-I215 HydrophobicContact CD1-CD1 3.87Å; Y173-I215 HydrophobicContact CG-CD1 4.47Å
174P95.9Very high95Very high54 Ų5461 Ų6135%0.35130%0.301SS..  trans-77.468178.332.9-35.7000110.3G213 K214 I215P174-G213 WeakPolarHBondContact CG-O 3.49Å; P174-K214 CarbonylContact O-C 3.47Å; P174-K214 WeakPolarHBondContact O-CA 3.37Å; P174-I215 PolarHBondContact O-N 3.26Å
175V97.5Very high94.8Very high35 Ų3554.9 Ų54.921%0.21227%0.269CS..EExtended strand (participates in β ladder)trans-83.3131.1-175.5179.80000110.4L163 Y173 L177 T204 I215 L217L163-V175 HydrophobicContact CD2-CB 3.87Å; L163-V175 HydrophobicContact CD2-CG1 3.73Å; L163-V175 HydrophobicContact CD2-CG2 4.13Å; Y173-V175 PolarHBondContact O-N 3.24Å; V175-L177 HydrophobicContact CG1-CB 4.41Å; V175-T204 HydrophobicContact CG2-CG2 3.5Å; V175-T204 VanDerWaalsContact CG2-CG2 3.5Å; V175-I215 WeakPolarHBondContact CA-O 3.24Å; V175-I215 HydrophobicContact CG2-CB 4.35Å; V175-L217 HydrophobicContact CG1-CD1 3.64Å; V175-L217 HydrophobicContact CG1-CG 3.95Å
176E97Very high94.6Very high76 Ų7653.5 Ų53.536%0.35526%0.261SS..EExtended strand (participates in β ladder)trans-113.8114.3165.7-177.5167169.600106.9K214 I215 H216 L217E176-K214 HydrophobicContact CB-CD 4.41Å; E176-K214 WeakPolarHBondContact OE2-CD 3.4Å; E176-K214 WeakPolarHBondContact OE2-CE 3.21Å; E176-K214 IonicContact OE2-NZ 3.61Å; E176-K214 PolarHBondContact OE2-NZ 3.41Å; E176-I215 PolarHBondContact N-O 2.95Å; E176-H216 CarbonylContact O-C 3.53Å; E176-H216 WeakPolarHBondContact O-CA 3.43Å; E176-L217 PolarHBondContact O-N 3.2Å
177L97.2Very high94.1Very high31 Ų3148.4 Ų48.416%0.16224%0.238CC..EExtended strand (participates in β ladder)trans-112.2119.4-178.117665000108.8V159 L163 V175 A181 L182 L200 L217 I222V159-L177 HydrophobicContact CG1-CD2 3.97Å; L163-L177 HydrophobicContact CD1-CB 4.28Å; L163-L177 HydrophobicContact CD1-CD2 3.93Å; V175-L177 HydrophobicContact CG1-CB 4.41Å; L177-A181 HydrophobicContact CD1-CB 3.72Å; L177-L182 HydrophobicContact CD2-CB 3.8Å; L177-L182 HydrophobicContact CD2-CD1 3.89Å; L177-L182 HydrophobicContact CD2-CG 4.35Å; L177-L182 HydrophobicContact CG-CB 4.05Å; L177-L200 HydrophobicContact CD2-CD1 4.3Å; L177-L217 HydrophobicContact CB-CB 4.48Å; L177-L217 HydrophobicContact CD1-CB 3.59Å; L177-L217 HydrophobicContact CD1-CD1 4.21Å; L177-I222 HydrophobicContact CD1-CD1 4.23Å; L177-I222 HydrophobicContact CD1-CG1 4.14Å
178D95.9Very high93.6Very high41 Ų4141.1 Ų41.122%0.21921%0.205CC..  trans-63.4144.8177.9-66.5-24.9000110.6E180 A181 L182 H216 L217 T218D178-E180 VanDerWaalsContact C-N 3.3Å; D178-E180 HydrophobicContact CB-CG 4.07Å; D178-E180 PolarHBondContact O-N 2.87Å; D178-A181 HydrophobicContact CB-CB 4.09Å; D178-A181 WeakPolarHBondContact O-CB 3.35Å; D178-A181 PolarHBondContact O-N 3.29Å; D178-L182 PolarHBondContact O-N 3.04Å; D178-H216 VanDerWaalsContact CG-NE2 3.31Å; D178-H216 IonicContact OD1-CD2 3.69Å; D178-H216 IonicContact OD1-CE1 2.8Å; D178-H216 IonicContact OD1-NE2 3.87Å; D178-H216 PolarHBondContact OD1-NE2 3.41Å; D178-H216 IonicContact OD2-CE1 3Å; D178-H216 IonicContact OD2-NE2 3.23Å; D178-H216 PolarHBondContact OD2-NE2 3.22Å; D178-L217 PolarHBondContact N-O 2.95Å; D178-T218 WeakPolarHBondContact OD2-CA 3.23Å
179E94.7Very high93Very high150 Ų15039.6 Ų39.670%0.70120%0.201SC*.Hα-helixtrans-60.5-39.3-179.3-71.4-158.5154.400112.4A181 L182 N183E179-A181 VanDerWaalsContact C-N 3.3Å; E179-A181 PolarHBondContact O-N 3.08Å; E179-L182 PolarHBondContact O-N 3.41Å; E179-N183 WeakPolarHBondContact O-CB 3.24Å; E179-N183 PolarHBondContact O-N 3.19Å; E179-N183 PolarHBondContact O-ND2 3.26Å
180E90.6Very high92.4Very high76 Ų7642.2 Ų42.236%0.35521%0.213SC..Hα-helixtrans-61.4-38.6174.455.6175.7-165.600112.2D178 N183 H184 L219D178-E180 VanDerWaalsContact C-N 3.3Å; D178-E180 HydrophobicContact CB-CG 4.07Å; D178-E180 PolarHBondContact O-N 2.87Å; E180-N183 PolarHBondContact O-N 3.11Å; E180-H184 VanDerWaalsContact O-CB 3.31Å; E180-H184 WeakPolarHBondContact O-CB 3.3Å; E180-H184 PolarHBondContact O-N 2.91Å; E180-L219 HydrophobicContact CG-CB 4.19Å
181A93.5Very high91.8Very high0 Ų042.3 Ų42.30%022%0.215CC..Hα-helixtrans-70.5-39.8179.100000111.3L177 D178 E179 L185 I222L177-A181 HydrophobicContact CD1-CB 3.72Å; D178-A181 HydrophobicContact CB-CB 4.09Å; D178-A181 WeakPolarHBondContact O-CB 3.35Å; D178-A181 PolarHBondContact O-N 3.29Å; E179-A181 VanDerWaalsContact C-N 3.3Å; E179-A181 PolarHBondContact O-N 3.08Å; A181-L185 WeakPolarHBondContact O-CB 3.35Å; A181-L185 PolarHBondContact O-N 3.22Å; A181-I222 HydrophobicContact CB-CB 4.43Å; A181-I222 HydrophobicContact CB-CG1 3.82Å
182L95.2Very high91.5Very high14 Ų1443 Ų437%0.07321%0.214CC..Hα-helixtrans-61.9-48173.1173.160.2000112I156 V159 L177 D178 E179 H184 L185 A186I156-L182 HydrophobicContact CG1-CD1 4.22Å; I156-L182 HydrophobicContact CG1-CG 4.16Å; I156-L182 HydrophobicContact CG2-CD1 4.4Å; I156-L182 HydrophobicContact CG2-CD2 4.02Å; I156-L182 HydrophobicContact CG2-CG 4.35Å; V159-L182 HydrophobicContact CB-CD1 3.89Å; V159-L182 HydrophobicContact CG1-CD1 3.47Å; V159-L182 VanDerWaalsContact CG1-CD1 3.47Å; L177-L182 HydrophobicContact CD2-CB 3.8Å; L177-L182 HydrophobicContact CD2-CD1 3.89Å; L177-L182 HydrophobicContact CD2-CG 4.35Å; L177-L182 HydrophobicContact CG-CB 4.05Å; D178-L182 PolarHBondContact O-N 3.04Å; E179-L182 PolarHBondContact O-N 3.41Å; L182-H184 VanDerWaalsContact C-N 3.35Å; L182-L185 WeakPolarHBondContact O-CB 3.27Å; L182-L185 PolarHBondContact O-N 3.14Å; L182-A186 PolarHBondContact O-N 3.46Å; L182-A186 VanDerWaalsContact O-N 3.1Å
183N92.2Very high91.5Very high42 Ų4237.5 Ų37.523%0.22519%0.189CC..Hα-helixtrans-63.7-42.2178.5-70.1-26.5000111.1I156 E179 E180 A186 R187I156-N183 WeakPolarHBondContact CD1-OD1 3.42Å; E179-N183 WeakPolarHBondContact O-CB 3.24Å; E179-N183 PolarHBondContact O-N 3.19Å; E179-N183 PolarHBondContact O-ND2 3.26Å; E180-N183 PolarHBondContact O-N 3.11Å; N183-A186 PolarHBondContact O-N 3.19Å; N183-R187 WeakPolarHBondContact O-CG 3.19Å; N183-R187 PolarHBondContact O-N 2.87Å
184H89.6Confident91.3Very high10 Ų1039.6 Ų39.65%0.04620%0.196CC..Hα-helixtrans-62.1-44.5174.8-176.455.5000112.2E180 L182 A186 R187 A188 L219 E223 R228 K229 A230E180-H184 VanDerWaalsContact O-CB 3.31Å; E180-H184 WeakPolarHBondContact O-CB 3.3Å; E180-H184 PolarHBondContact O-N 2.91Å; L182-H184 VanDerWaalsContact C-N 3.35Å; H184-A186 VanDerWaalsContact C-N 3.31Å; H184-A186 PolarHBondContact O-N 3.46Å; H184-R187 PolarHBondContact O-N 3.32Å; H184-A188 WeakPolarHBondContact O-CB 3.36Å; H184-A188 PolarHBondContact O-N 3.06Å; H184-L219 HydrophobicContact CB-CD1 3.48Å; H184-L219 VanDerWaalsContact CB-CD1 3.48Å; H184-E223 WeakPolarHBondContact NE2-CG 3.41Å; H184-R228 PolarHBondContact CE1-O 3.39Å; H184-R228 PolarHBondContact NE2-O 2.92Å; H184-K229 VanDerWaalsContact CE1-C 3.46Å; H184-A230 PolarHBondContact CE1-N 2.94Å; H184-A230 VanDerWaalsContact CE1-N 3.31Å
185L92.2Very high91Very high0 Ų039.4 Ų39.40%020%0.196CC..Hα-helixtrans-56.9-44.2176.218061.8000112.1V159 A181 L182 T189 A196 L200 I222 V226V159-L185 HydrophobicContact CG1-CD2 4.28Å; V159-L185 HydrophobicContact CG2-CD2 3.81Å; A181-L185 WeakPolarHBondContact O-CB 3.35Å; A181-L185 PolarHBondContact O-N 3.22Å; L182-L185 WeakPolarHBondContact O-CB 3.27Å; L182-L185 PolarHBondContact O-N 3.14Å; L185-T189 HydrophobicContact CD1-CG2 4.34Å; L185-T189 VanDerWaalsContact O-CG2 3.24Å; L185-T189 WeakPolarHBondContact O-CG2 3.35Å; L185-T189 PolarHBondContact O-N 3.48Å; L185-T189 PolarHBondContact O-OG1 3.4Å; L185-A196 HydrophobicContact CD1-CB 4.35Å; L185-A196 HydrophobicContact CG-CB 4.3Å; L185-L200 HydrophobicContact CD2-CB 4.08Å; L185-L200 HydrophobicContact CD2-CD1 4.19Å; L185-I222 HydrophobicContact CB-CG2 3.85Å; L185-I222 HydrophobicContact CD1-CG2 4.22Å; L185-V226 HydrophobicContact CD1-CG2 3.47Å; L185-V226 VanDerWaalsContact CD1-CG2 3.47Å
186A91.9Very high90.8Very high2 Ų237.8 Ų37.82%0.01719%0.186CC..Hα-helixtrans-63.6-45178.500000112E152 V155 I156 L182 N183 H184 T189E152-A186 HydrophobicContact CB-CB 4.27Å; E152-A186 HydrophobicContact CG-CB 4.45Å; V155-A186 HydrophobicContact CB-CB 4.05Å; V155-A186 HydrophobicContact CG1-CB 4Å; I156-A186 HydrophobicContact CD1-CB 4.34Å; I156-A186 HydrophobicContact CG1-CB 3.79Å; L182-A186 PolarHBondContact O-N 3.46Å; L182-A186 VanDerWaalsContact O-N 3.1Å; N183-A186 PolarHBondContact O-N 3.19Å; H184-A186 VanDerWaalsContact C-N 3.31Å; H184-A186 PolarHBondContact O-N 3.46Å; A186-T189 PolarHBondContact O-OG1 3.01Å; A186-T189 VanDerWaalsContact O-OG1 3.12Å
187R85.1Confident90.8Very high39 Ų3934.5 Ų34.515%0.14717%0.171CC..Hα-helixtrans-69.1-50.6179-74.7175.7-169.4144.25.6113.4E152 N183 H184 T189 N190 D234 G237E152-R187 HydrophobicContact CG-CG 4.01Å; E152-R187 WeakPolarHBondContact OE1-CG 3.22Å; E152-R187 IonicContact OE1-NE 3.57Å; E152-R187 WeakPolarHBondContact OE2-CG 3.39Å; E152-R187 IonicContact OE2-CZ 2.82Å; E152-R187 IonicContact OE2-NE 3.52Å; E152-R187 PolarHBondContact OE2-NE 3.29Å; E152-R187 IonicContact OE2-NH2 3.23Å; N183-R187 WeakPolarHBondContact O-CG 3.19Å; N183-R187 PolarHBondContact O-N 2.87Å; H184-R187 PolarHBondContact O-N 3.32Å; R187-T189 PolarHBondContact O-N 3.25Å; R187-N190 PolarHBondContact O-N 3.44Å; R187-D234 IonicContact NH1-OD2 2.68Å; R187-G237 VanDerWaalsContact CZ-C 3.44Å; R187-G237 PolarHBondContact NH1-O 3.47Å; R187-G237 VanDerWaalsContact NH1-O 3.17Å; R187-G237 VanDerWaalsContact NH2-C 3.28Å; R187-G237 PolarHBondContact NH2-O 2.96Å
188A84.8Confident90.6Very high7 Ų736.2 Ų36.26%0.05818%0.18CC..Hα-helixtrans-57.9-23.4-177.400000111.7H184 V226 R228H184-A188 WeakPolarHBondContact O-CB 3.36Å; H184-A188 PolarHBondContact O-N 3.06Å; A188-V226 HydrophobicContact CB-CG1 3.75Å; A188-R228 HydrophobicContact CB-CB 4.04Å; A188-R228 WeakPolarHBondContact O-CD 3.37Å; A188-R228 PolarHBondContact O-NE 3.21Å; A188-R228 PolarHBondContact O-NH1 3.31Å
189T83.4Confident90.5Very high8 Ų834.5 Ų34.55%0.04917%0.173CC..THydrogen-bonded Turntrans-94.9-9-179.659.10000113.7L185 A186 R187 G191 N192 A196 V226L185-T189 HydrophobicContact CD1-CG2 4.34Å; L185-T189 VanDerWaalsContact O-CG2 3.24Å; L185-T189 WeakPolarHBondContact O-CG2 3.35Å; L185-T189 PolarHBondContact O-N 3.48Å; L185-T189 PolarHBondContact O-OG1 3.4Å; A186-T189 PolarHBondContact O-OG1 3.01Å; A186-T189 VanDerWaalsContact O-OG1 3.12Å; R187-T189 PolarHBondContact O-N 3.25Å; T189-G191 VanDerWaalsContact C-N 3.33Å; T189-G191 PolarHBondContact O-N 2.93Å; T189-N192 WeakPolarHBondContact O-CB 3.31Å; T189-N192 PolarHBondContact O-N 3.11Å; T189-A196 VanDerWaalsContact CG2-CA 3.49Å; T189-A196 HydrophobicContact CG2-CB 3.74Å; T189-V226 HydrophobicContact CG2-CG1 4.21Å
190N81.8Confident90.7Very high60 Ų6027.4 Ų27.432%0.32114%0.139SC..THydrogen-bonded Turntrans4951.1169.3178.942.9000112.5R187 N192 R277R187-N190 PolarHBondContact O-N 3.44Å; N190-N192 VanDerWaalsContact C-N 3.29Å; N190-N192 PolarHBondContact O-N 3.08Å; N190-R277 PolarHBondContact ND2-NH2 2.84Å; N190-R277 PolarHBondContact OD1-NH2 3.48Å
191G84.9Confident90.9Very high4 Ų424.8 Ų24.84%0.04113%0.127CC..THydrogen-bonded Turntrans77.64.4179.300000115.6L150 T189 L193L150-G191 WeakPolarHBondContact O-CA 3.34Å; T189-G191 VanDerWaalsContact C-N 3.33Å; T189-G191 PolarHBondContact O-N 2.93Å; G191-L193 PolarHBondContact O-N 2.83Å
192N89.1Confident91Very high34 Ų3429.3 Ų29.318%0.18215%0.151CC..  trans-92.186.5174.5-174.6-30.2000110.9G49 T189 N190 R194 S195 A196G49-N192 WeakPolarHBondContact CA-OD1 3.45Å; T189-N192 WeakPolarHBondContact O-CB 3.31Å; T189-N192 PolarHBondContact O-N 3.11Å; N190-N192 VanDerWaalsContact C-N 3.29Å; N190-N192 PolarHBondContact O-N 3.08Å; N192-R194 VanDerWaalsContact C-N 3.25Å; N192-R194 PolarHBondContact O-N 2.88Å; N192-R194 WeakPolarHBondContact OD1-CB 3.2Å; N192-R194 PolarHBondContact OD1-N 3.03Å; N192-S195 PolarHBondContact ND2-OG 3.06Å; N192-S195 VanDerWaalsContact ND2-OG 3.14Å; N192-S195 PolarHBondContact O-N 3.17Å; N192-S195 PolarHBondContact OD1-N 2.8Å; N192-S195 PolarHBondContact OD1-OG 3Å; N192-A196 PolarHBondContact O-N 3.08Å
193L92.6Very high91.1Very high27 Ų2728.6 Ų28.614%0.14115%0.147CC..Hα-helixtrans-60.4-32.7-178.3177.259.6000113.5G49 L150 V155 A158 G191 S195 A196 L197G49-L193 PolarHBondContact O-N 2.77Å; L150-L193 HydrophobicContact CD1-CB 3.56Å; L150-L193 HydrophobicContact CD1-CD2 4.09Å; L150-L193 HydrophobicContact CD1-CG 4.42Å; V155-L193 HydrophobicContact CG1-CD1 4.32Å; A158-L193 HydrophobicContact CB-CD1 3.35Å; A158-L193 HydrophobicContact CB-CD2 3.77Å; A158-L193 HydrophobicContact CB-CG 4.21Å; G191-L193 PolarHBondContact O-N 2.83Å; L193-S195 VanDerWaalsContact C-N 3.27Å; L193-S195 PolarHBondContact O-N 3.01Å; L193-A196 HydrophobicContact CD1-CB 4.44Å; L193-A196 PolarHBondContact O-N 3.29Å; L193-L197 HydrophobicContact CD1-CD1 4.12Å; L193-L197 HydrophobicContact CD1-CD2 4.39Å; L193-L197 HydrophobicContact CD1-CG 3.88Å; L193-L197 HydrophobicContact CG-CD1 4.05Å; L193-L197 HydrophobicContact CG-CG 4.26Å; L193-L197 WeakPolarHBondContact O-CG 3.47Å; L193-L197 PolarHBondContact O-N 3.36Å
194R91.6Very high91.3Very high121 Ų12126.7 Ų26.746%0.45714%0.137SC..Hα-helixtrans-58.7-42.7175.5-176.8-172.6-62.1171.1-1.6110.9A6 N192 N198A6-R194 HydrophobicContact CB-CB 4.43Å; A6-R194 HydrophobicContact CB-CG 3.85Å; N192-R194 VanDerWaalsContact C-N 3.25Å; N192-R194 PolarHBondContact O-N 2.88Å; N192-R194 WeakPolarHBondContact OD1-CB 3.2Å; N192-R194 PolarHBondContact OD1-N 3.03Å; R194-N198 WeakPolarHBondContact O-CB 3.42Å; R194-N198 PolarHBondContact O-N 3.46Å; R194-N198 PolarHBondContact O-ND2 3.2Å; R194-N198 PolarHBondContact O-OD1 3.4Å
195S90.4Very high91.6Very high51 Ų5130.1 Ų30.136%0.35715%0.152SC..Hα-helixtrans-70.3-38.8179.5-540000111.2N192 L193 N198 G199N192-S195 PolarHBondContact ND2-OG 3.06Å; N192-S195 VanDerWaalsContact ND2-OG 3.14Å; N192-S195 PolarHBondContact O-N 3.17Å; N192-S195 PolarHBondContact OD1-N 2.8Å; N192-S195 PolarHBondContact OD1-OG 3Å; L193-S195 VanDerWaalsContact C-N 3.27Å; L193-S195 PolarHBondContact O-N 3.01Å; S195-N198 PolarHBondContact O-N 2.87Å; S195-G199 PolarHBondContact O-N 2.76Å
196A93.9Very high91.7Very high0 Ų033.3 Ų33.30%017%0.174CC..Hα-helixtrans-59.8-49.4174.800000112.3V155 L185 T189 N192 L193 N198 G199 L200V155-A196 HydrophobicContact CG1-CB 3.66Å; L185-A196 HydrophobicContact CD1-CB 4.35Å; L185-A196 HydrophobicContact CG-CB 4.3Å; T189-A196 VanDerWaalsContact CG2-CA 3.49Å; T189-A196 HydrophobicContact CG2-CB 3.74Å; N192-A196 PolarHBondContact O-N 3.08Å; L193-A196 HydrophobicContact CD1-CB 4.44Å; L193-A196 PolarHBondContact O-N 3.29Å; A196-N198 VanDerWaalsContact C-N 3.34Å; A196-N198 PolarHBondContact O-N 3.24Å; A196-G199 PolarHBondContact O-N 2.65Å; A196-L200 WeakPolarHBondContact O-CB 3.45Å; A196-L200 PolarHBondContact O-N 3.05Å
197L95.7Very high91.9Very high7 Ų734.3 Ų34.34%0.03718%0.18CC..Hα-helixtrans-66.9-34.8179.2-67.6176.8000112.6L5 A6 M9 A162 L193 L200 E201L5-L197 HydrophobicContact CD2-CB 4.21Å; L5-L197 HydrophobicContact CD2-CD2 4.09Å; L5-L197 WeakPolarHBondContact CD2-O 3.42Å; L5-L197 HydrophobicContact CG-CB 4.33Å; L5-L197 HydrophobicContact CG-CD2 4.46Å; A6-L197 HydrophobicContact CB-CB 4.09Å; A6-L197 HydrophobicContact CB-CD1 4.31Å; M9-L197 HydrophobicContact CB-CD1 4Å; M9-L197 HydrophobicContact CG-CD1 4.48Å; A162-L197 HydrophobicContact CB-CD2 3.74Å; L193-L197 HydrophobicContact CD1-CD1 4.12Å; L193-L197 HydrophobicContact CD1-CD2 4.39Å; L193-L197 HydrophobicContact CD1-CG 3.88Å; L193-L197 HydrophobicContact CG-CD1 4.05Å; L193-L197 HydrophobicContact CG-CG 4.26Å; L193-L197 WeakPolarHBondContact O-CG 3.47Å; L193-L197 PolarHBondContact O-N 3.36Å; L197-L200 HydrophobicContact CD2-CD2 4.49Å; L197-E201 WeakPolarHBondContact O-CB 3.16Å; L197-E201 PolarHBondContact O-N 3.31Å
198N94Very high92.4Very high67 Ų6737.5 Ų37.536%0.35821%0.206SC..Hα-helixtrans-67.2-43174.5-72-8.4000111.6R194 S195 A196 E201 L202R194-N198 WeakPolarHBondContact O-CB 3.42Å; R194-N198 PolarHBondContact O-N 3.46Å; R194-N198 PolarHBondContact O-ND2 3.2Å; R194-N198 PolarHBondContact O-OD1 3.4Å; S195-N198 PolarHBondContact O-N 2.87Å; A196-N198 VanDerWaalsContact C-N 3.34Å; A196-N198 PolarHBondContact O-N 3.24Å; N198-E201 PolarHBondContact O-N 3.02Å; N198-L202 WeakPolarHBondContact O-CB 3.48Å; N198-L202 PolarHBondContact O-N 3.06Å
199G93.9Very high92.9Very high6 Ų643.4 Ų43.46%0.06223%0.23CC..Hα-helixtrans-62.9-43.4175.800000112S195 A196 L202 A203S195-G199 PolarHBondContact O-N 2.76Å; A196-G199 PolarHBondContact O-N 2.65Å; G199-L202 PolarHBondContact O-N 3.34Å; G199-A203 WeakPolarHBondContact O-CB 3.13Å; G199-A203 PolarHBondContact O-N 3.22Å
200L97.2Very high93.4Very high0 Ų045.9 Ų45.90%024%0.243CC..Hα-helixtrans-60.5-48.9173.6-175.770000111.9L5 V159 A162 L163 L170 L177 L185 A196 L197 L202 A203 T204 L217L5-L200 HydrophobicContact CD2-CD2 4.16Å; V159-L200 HydrophobicContact CB-CD2 4.5Å; V159-L200 HydrophobicContact CG1-CD1 4.22Å; V159-L200 HydrophobicContact CG1-CD2 3.87Å; V159-L200 HydrophobicContact CG2-CD2 4.48Å; A162-L200 HydrophobicContact CB-CD2 4.34Å; L163-L200 HydrophobicContact CD2-CD1 4.28Å; L163-L200 HydrophobicContact CD2-CD2 4.28Å; L163-L200 HydrophobicContact CG-CD2 4.29Å; L170-L200 HydrophobicContact CD1-CD2 3.97Å; L170-L200 HydrophobicContact CD1-CG 3.9Å; L177-L200 HydrophobicContact CD2-CD1 4.3Å; L185-L200 HydrophobicContact CD2-CB 4.08Å; L185-L200 HydrophobicContact CD2-CD1 4.19Å; A196-L200 WeakPolarHBondContact O-CB 3.45Å; A196-L200 PolarHBondContact O-N 3.05Å; L197-L200 HydrophobicContact CD2-CD2 4.49Å; L200-L202 VanDerWaalsContact C-N 3.31Å; L200-L202 PolarHBondContact O-N 3.34Å; L200-A203 PolarHBondContact O-N 3.49Å; L200-T204 WeakPolarHBondContact O-CB 3.42Å; L200-T204 PolarHBondContact O-N 2.85Å; L200-T204 PolarHBondContact O-OG1 3.1Å; L200-T204 VanDerWaalsContact O-OG1 3.08Å; L200-L217 HydrophobicContact CD1-CD1 4.12Å
201E96.5Very high94Very high21 Ų2151.7 Ų51.710%0.09827%0.274CS..Hα-helixtrans-61.6-41179.6-179.6169.3-137.100111.8P4 L5 R8 L197 N198 K205P4-E201 WeakPolarHBondContact CA-OE2 3.48Å; L5-E201 HydrophobicContact CB-CB 3.8Å; L5-E201 HydrophobicContact CB-CG 4.12Å; L5-E201 WeakPolarHBondContact CB-OE2 3.38Å; L5-E201 HydrophobicContact CD2-CB 4.03Å; L5-E201 PolarHBondContact N-OE1 3.09Å; L5-E201 PolarHBondContact N-OE2 3.37Å; R8-E201 IonicContact CZ-OE1 2.65Å; R8-E201 IonicContact NH2-OE1 3.81Å; R8-E201 PolarHBondContact NH2-OE1 2.76Å; L197-E201 WeakPolarHBondContact O-CB 3.16Å; L197-E201 PolarHBondContact O-N 3.31Å; N198-E201 PolarHBondContact O-N 3.02Å; E201-K205 HydrophobicContact CG-CD 3.86Å; E201-K205 WeakPolarHBondContact O-CB 3.39Å; E201-K205 WeakPolarHBondContact O-CG 3.38Å; E201-K205 PolarHBondContact O-N 2.92Å; E201-K205 IonicContact OE1-NZ 2.76Å; E201-K205 PolarHBondContact OE1-NZ 2.92Å
202L95.5Very high94.4Very high95 Ų9558.3 Ų58.350%0.49730%0.304SS..Hα-helixtrans-60.8-54.9174.7179.358.8000110N198 G199 L200 T204 K205 S206 C225N198-L202 WeakPolarHBondContact O-CB 3.48Å; N198-L202 PolarHBondContact O-N 3.06Å; G199-L202 PolarHBondContact O-N 3.34Å; L200-L202 VanDerWaalsContact C-N 3.31Å; L200-L202 PolarHBondContact O-N 3.34Å; L202-T204 VanDerWaalsContact C-N 3.34Å; L202-T204 PolarHBondContact O-N 3.37Å; L202-K205 PolarHBondContact O-N 3.26Å; L202-K205 VanDerWaalsContact O-N 3.1Å; L202-S206 WeakPolarHBondContact O-CB 3.41Å; L202-S206 PolarHBondContact O-N 3.45Å; L202-S206 PolarHBondContact O-OG 3.34Å; L202-C225 HydrophobicContact CD2-CB 4.24Å; L202-C225 HydrophobicContact CG-CB 4.41Å
203A96.5Very high94.6Very high0 Ų058.1 Ų58.10%031%0.31CS..Hα-helixtrans-55.3-46.5-179.200000112.3G199 L200 K205 T207 L217 I221 I222 C225G199-A203 WeakPolarHBondContact O-CB 3.13Å; G199-A203 PolarHBondContact O-N 3.22Å; L200-A203 PolarHBondContact O-N 3.49Å; A203-K205 PolarHBondContact O-N 3.19Å; A203-T207 WeakPolarHBondContact O-CB 3.45Å; A203-T207 PolarHBondContact O-N 2.84Å; A203-T207 VanDerWaalsContact O-N 3.12Å; A203-T207 PolarHBondContact O-OG1 3.07Å; A203-L217 HydrophobicContact CB-CD1 4.16Å; A203-L217 HydrophobicContact CB-CD2 3.98Å; A203-L217 WeakPolarHBondContact O-CD2 3.22Å; A203-I221 HydrophobicContact CB-CG2 4.08Å; A203-I222 HydrophobicContact CB-CD1 3.82Å; A203-C225 VanDerWaalsContact CA-SG 3.56Å; A203-C225 HydrophobicContact CB-CB 4.09Å
204T97Very high94.8Very high2 Ų260.3 Ų60.31%0.01232%0.319CS..Hα-helixtrans-63.5-40.7177.7-62.10000112.5L170 Y173 V175 L200 L202 I215L170-T204 HydrophobicContact CD1-CG2 4.17Å; L170-T204 HydrophobicContact CD2-CG2 4.3Å; Y173-T204 HydrophobicContact CD1-CG2 3.74Å; Y173-T204 HydrophobicContact CD2-CG2 4.33Å; Y173-T204 HydrophobicContact CE1-CG2 4.45Å; Y173-T204 HydrophobicContact CG-CG2 3.68Å; V175-T204 HydrophobicContact CG2-CG2 3.5Å; V175-T204 VanDerWaalsContact CG2-CG2 3.5Å; L200-T204 WeakPolarHBondContact O-CB 3.42Å; L200-T204 PolarHBondContact O-N 2.85Å; L200-T204 PolarHBondContact O-OG1 3.1Å; L200-T204 VanDerWaalsContact O-OG1 3.08Å; L202-T204 VanDerWaalsContact C-N 3.34Å; L202-T204 PolarHBondContact O-N 3.37Å; T204-I215 HydrophobicContact CG2-CD1 4.25Å
205K94.8Very high95Very high81 Ų8154.9 Ų54.935%0.35230%0.299SS..Hα-helixtrans-84.7-24.2-175.6-71.4-179.8174.6175.70113.6Y173 E201 L202 A203Y173-K205 HydrophobicContact CE1-CG 4.42Å; E201-K205 HydrophobicContact CG-CD 3.86Å; E201-K205 WeakPolarHBondContact O-CB 3.39Å; E201-K205 WeakPolarHBondContact O-CG 3.38Å; E201-K205 PolarHBondContact O-N 2.92Å; E201-K205 IonicContact OE1-NZ 2.76Å; E201-K205 PolarHBondContact OE1-NZ 2.92Å; L202-K205 PolarHBondContact O-N 3.26Å; L202-K205 VanDerWaalsContact O-N 3.1Å; A203-K205 PolarHBondContact O-N 3.19Å
206S95Very high95.4Very high68 Ų6855.3 Ų55.348%0.47630%0.295SS..Hα-helixtrans-92.6-19.2-179.766.10000113.7L202 P208L202-S206 WeakPolarHBondContact O-CB 3.41Å; L202-S206 PolarHBondContact O-N 3.45Å; L202-S206 PolarHBondContact O-OG 3.34Å; S206-P208 WeakPolarHBondContact O-CD 3.26Å
207T96.6Very high95.5Very high22 Ų2255.3 Ų55.314%0.13530%0.295CS..SBendtrans-86.1119-179-57.90000110.7A203 I215 L217 I221A203-T207 WeakPolarHBondContact O-CB 3.45Å; A203-T207 PolarHBondContact O-N 2.84Å; A203-T207 VanDerWaalsContact O-N 3.12Å; A203-T207 PolarHBondContact O-OG1 3.07Å; T207-I215 HydrophobicContact CG2-CG2 4.03Å; T207-L217 HydrophobicContact CG2-CD2 4.28Å; T207-I221 HydrophobicContact CG2-CD1 3.91Å; T207-I221 WeakPolarHBondContact OG1-CG2 3.33Å
208P94.8Very high95.5Very high107 Ų10756.7 Ų56.770%0.69530%0.303SS*.PPolyproline II helixtrans-62.2153.3174.2-21.333.9000111.9S206S206-P208 WeakPolarHBondContact O-CD 3.26Å
209K96.2Very high95.4Very high131 Ų13154.9 Ų54.957%0.5729%0.294SS*.PPolyproline II helixtrans-66.6139.7171.3-70.9175.4173.7-168.50110.3G213 K214 I215K209-G213 VanDerWaalsContact CD-O 3.28Å; K209-G213 WeakPolarHBondContact CD-O 3.46Å; K209-G213 WeakPolarHBondContact CG-O 3.43Å; K209-K214 CarbonylContact C-O 3.56Å; K209-K214 VanDerWaalsContact CA-O 3.25Å; K209-K214 WeakPolarHBondContact CA-O 3.18Å; K209-I215 HydrophobicContact CG-CG1 3.81Å
210N94.2Very high95.3Very high60 Ų6058 Ų5832%0.32132%0.315SS..  trans-74-179.3169.469.46.7000111.2E212 G213 K214N210-E212 PolarHBondContact O-N 3.17Å; N210-E212 VanDerWaalsContact O-N 3.16Å; N210-E212 WeakPolarHBondContact OD1-CA 3.47Å; N210-E212 WeakPolarHBondContact OD1-CB 3.32Å; N210-E212 PolarHBondContact OD1-N 2.85Å; N210-E212 VanDerWaalsContact OD1-N 3.08Å; N210-G213 WeakPolarHBondContact O-CA 3.46Å; N210-G213 PolarHBondContact O-N 3.1Å; N210-G213 PolarHBondContact OD1-N 3.06Å; N210-K214 PolarHBondContact N-O 3.46Å; N210-K214 PolarHBondContact OD1-N 3.23Å; N210-K214 PolarHBondContact OD1-O 3.17Å
211D93.2Very high95.1Very high182 Ų18260 Ų6097%0.97333%0.325SS*.THydrogen-bonded Turntrans-62.1-21.5-179.6-64.2-28.3000113.4G213D211-G213 VanDerWaalsContact C-N 3.27Å
212E92.9Very high95Very high142 Ų14259 Ų5966%0.66432%0.32SS*.THydrogen-bonded Turntrans-83.7-0.6173.5-57.9-177.6177.600113N210 K214N210-E212 PolarHBondContact O-N 3.17Å; N210-E212 VanDerWaalsContact O-N 3.16Å; N210-E212 WeakPolarHBondContact OD1-CA 3.47Å; N210-E212 WeakPolarHBondContact OD1-CB 3.32Å; N210-E212 PolarHBondContact OD1-N 2.85Å; N210-E212 VanDerWaalsContact OD1-N 3.08Å; E212-K214 VanDerWaalsContact C-N 3.28Å; E212-K214 HydrophobicContact CB-CG 4.39Å; E212-K214 PolarHBondContact O-N 3.05Å; E212-K214 IonicContact OE2-NZ 3.67Å; E212-K214 PolarHBondContact OE2-NZ 3.35Å
213G94.3Very high94.7Very high30 Ų3056.8 Ų56.831%0.30931%0.307SS..SBendtrans76.711.1-177.200000114.4P174 K209 N210 D211P174-G213 WeakPolarHBondContact CG-O 3.49Å; K209-G213 VanDerWaalsContact CD-O 3.28Å; K209-G213 WeakPolarHBondContact CD-O 3.46Å; K209-G213 WeakPolarHBondContact CG-O 3.43Å; N210-G213 WeakPolarHBondContact O-CA 3.46Å; N210-G213 PolarHBondContact O-N 3.1Å; N210-G213 PolarHBondContact OD1-N 3.06Å; D211-G213 VanDerWaalsContact C-N 3.27Å
214K95.7Very high94.4Very high73 Ų7363.8 Ų63.832%0.31734%0.34SS..  trans-96.5151.1179.1-62.7-175.7-176.6164.10112.3P174 E176 K209 N210 E212P174-K214 CarbonylContact O-C 3.47Å; P174-K214 WeakPolarHBondContact O-CA 3.37Å; E176-K214 HydrophobicContact CB-CD 4.41Å; E176-K214 WeakPolarHBondContact OE2-CD 3.4Å; E176-K214 WeakPolarHBondContact OE2-CE 3.21Å; E176-K214 IonicContact OE2-NZ 3.61Å; E176-K214 PolarHBondContact OE2-NZ 3.41Å; K209-K214 CarbonylContact C-O 3.56Å; K209-K214 VanDerWaalsContact CA-O 3.25Å; K209-K214 WeakPolarHBondContact CA-O 3.18Å; N210-K214 PolarHBondContact N-O 3.46Å; N210-K214 PolarHBondContact OD1-N 3.23Å; N210-K214 PolarHBondContact OD1-O 3.17Å; E212-K214 VanDerWaalsContact C-N 3.28Å; E212-K214 HydrophobicContact CB-CG 4.39Å; E212-K214 PolarHBondContact O-N 3.05Å; E212-K214 IonicContact OE2-NZ 3.67Å; E212-K214 PolarHBondContact OE2-NZ 3.35Å
215I97.3Very high94.1Very high7 Ų764.7 Ų64.74%0.03635%0.346CS..EExtended strand (participates in β ladder)trans-96.196171.3-62.4163.6000107Y173 P174 V175 E176 T204 T207 K209 L217Y173-I215 HydrophobicContact CD1-CD1 3.87Å; Y173-I215 HydrophobicContact CG-CD1 4.47Å; P174-I215 PolarHBondContact O-N 3.26Å; V175-I215 WeakPolarHBondContact CA-O 3.24Å; V175-I215 HydrophobicContact CG2-CB 4.35Å; E176-I215 PolarHBondContact N-O 2.95Å; T204-I215 HydrophobicContact CG2-CD1 4.25Å; T207-I215 HydrophobicContact CG2-CG2 4.03Å; K209-I215 HydrophobicContact CG-CG1 3.81Å; I215-L217 HydrophobicContact CG2-CD2 3.78Å; I215-L217 HydrophobicContact CG2-CG 4.32Å
216H97.7Very high93.6Very high61 Ų6162.1 Ų62.128%0.28234%0.337SS..EExtended strand (participates in β ladder)trans-87.5110.7-178.1-173.6-162.4000110.4E176 D178 I221E176-H216 CarbonylContact O-C 3.53Å; E176-H216 WeakPolarHBondContact O-CA 3.43Å; D178-H216 VanDerWaalsContact CG-NE2 3.31Å; D178-H216 IonicContact OD1-CD2 3.69Å; D178-H216 IonicContact OD1-CE1 2.8Å; D178-H216 IonicContact OD1-NE2 3.87Å; D178-H216 PolarHBondContact OD1-NE2 3.41Å; D178-H216 IonicContact OD2-CE1 3Å; D178-H216 IonicContact OD2-NE2 3.23Å; D178-H216 PolarHBondContact OD2-NE2 3.22Å; H216-I221 VanDerWaalsContact O-CD1 3.29Å; H216-I221 WeakPolarHBondContact O-CD1 3.19Å
217L97.3Very high92.8Very high0 Ų067.2 Ų67.20%035%0.353CS..EExtended strand (participates in β ladder)trans-96.497.8179.6-57.7-173.7000109.7V175 E176 L177 D178 L200 A203 T207 I215 I221V175-L217 HydrophobicContact CG1-CD1 3.64Å; V175-L217 HydrophobicContact CG1-CG 3.95Å; E176-L217 PolarHBondContact O-N 3.2Å; L177-L217 HydrophobicContact CB-CB 4.48Å; L177-L217 HydrophobicContact CD1-CB 3.59Å; L177-L217 HydrophobicContact CD1-CD1 4.21Å; D178-L217 PolarHBondContact N-O 2.95Å; L200-L217 HydrophobicContact CD1-CD1 4.12Å; A203-L217 HydrophobicContact CB-CD1 4.16Å; A203-L217 HydrophobicContact CB-CD2 3.98Å; A203-L217 WeakPolarHBondContact O-CD2 3.22Å; T207-L217 HydrophobicContact CG2-CD2 4.28Å; I215-L217 HydrophobicContact CG2-CD2 3.78Å; I215-L217 HydrophobicContact CG2-CG 4.32Å; L217-I221 HydrophobicContact CD2-CG2 4.07Å
218T95.1Very high91.6Very high35 Ų3569.6 Ų69.622%0.21536%0.36CS..  trans-84.2168.5175.867.60000111.7D178 S220 I221 I222D178-T218 WeakPolarHBondContact OD2-CA 3.23Å; T218-S220 VanDerWaalsContact C-N 3.29Å; T218-S220 PolarHBondContact O-N 2.85Å; T218-S220 PolarHBondContact OG1-OG 2.87Å; T218-I221 PolarHBondContact O-N 3.26Å; T218-I221 VanDerWaalsContact O-N 3.13Å; T218-I222 PolarHBondContact O-N 2.76Å
219L92Very high90.3Very high30 Ų3070.8 Ų70.816%0.15735%0.354CS..Hα-helixtrans-51.8-48.5175.5178.959.3000111.9E180 H184 I221 I222 E223 A230E180-L219 HydrophobicContact CG-CB 4.19Å; H184-L219 HydrophobicContact CB-CD1 3.48Å; H184-L219 VanDerWaalsContact CB-CD1 3.48Å; L219-I221 VanDerWaalsContact C-N 3.26Å; L219-I221 PolarHBondContact O-N 3.41Å; L219-I222 PolarHBondContact O-N 3.22Å; L219-I222 VanDerWaalsContact O-N 3.13Å; L219-E223 HydrophobicContact CD1-CG 4.21Å; L219-E223 HydrophobicContact CG-CG 4.31Å; L219-E223 WeakPolarHBondContact O-CG 3.46Å; L219-E223 PolarHBondContact O-N 2.85Å; L219-A230 HydrophobicContact CD1-CB 4.14Å; L219-A230 HydrophobicContact CD2-CB 4.14Å
220S91.4Very high88.5Confident71 Ų7165.2 Ų65.250%0.49733%0.333SS..Hα-helixtrans-58.4-35-179.366.30000113.7T218 E224T218-S220 VanDerWaalsContact C-N 3.29Å; T218-S220 PolarHBondContact O-N 2.85Å; T218-S220 PolarHBondContact OG1-OG 2.87Å; S220-E224 PolarHBondContact O-N 2.83Å
221I94.1Very high86.7Confident41 Ų4163.4 Ų63.421%0.2132%0.323CS..Hα-helixtrans-71.5-44178.8-67.5170.8000110.1A203 T207 H216 L217 T218 L219 E224 C225A203-I221 HydrophobicContact CB-CG2 4.08Å; T207-I221 HydrophobicContact CG2-CD1 3.91Å; T207-I221 WeakPolarHBondContact OG1-CG2 3.33Å; H216-I221 VanDerWaalsContact O-CD1 3.29Å; H216-I221 WeakPolarHBondContact O-CD1 3.19Å; L217-I221 HydrophobicContact CD2-CG2 4.07Å; T218-I221 PolarHBondContact O-N 3.26Å; T218-I221 VanDerWaalsContact O-N 3.13Å; L219-I221 VanDerWaalsContact C-N 3.26Å; L219-I221 PolarHBondContact O-N 3.41Å; I221-E224 PolarHBondContact O-N 3.43Å; I221-C225 WeakPolarHBondContact O-CB 3.43Å; I221-C225 PolarHBondContact O-N 3.43Å; I221-C225 PolarHBondContact O-SG 3.48Å
222I94.1Very high84.8Confident0 Ų060.9 Ų60.90%032%0.315CS..Hα-helixtrans-65.6-41.1177.5-67-57.6000111.1L177 A181 L185 A203 T218 L219 E224 C225 V226L177-I222 HydrophobicContact CD1-CD1 4.23Å; L177-I222 HydrophobicContact CD1-CG1 4.14Å; A181-I222 HydrophobicContact CB-CB 4.43Å; A181-I222 HydrophobicContact CB-CG1 3.82Å; L185-I222 HydrophobicContact CB-CG2 3.85Å; L185-I222 HydrophobicContact CD1-CG2 4.22Å; A203-I222 HydrophobicContact CB-CD1 3.82Å; T218-I222 PolarHBondContact O-N 2.76Å; L219-I222 PolarHBondContact O-N 3.22Å; L219-I222 VanDerWaalsContact O-N 3.13Å; I222-E224 VanDerWaalsContact C-N 3.3Å; I222-E224 PolarHBondContact O-N 3.27Å; I222-C225 PolarHBondContact O-N 2.87Å; I222-V226 HydrophobicContact CG2-CG2 4.07Å; I222-V226 WeakPolarHBondContact O-CB 3.46Å; I222-V226 WeakPolarHBondContact O-CG2 3.44Å; I222-V226 PolarHBondContact O-N 3.39Å
223E89.2Confident82.7Confident49 Ų4960 Ų6023%0.22931%0.31CS..Hα-helixtrans-55.2-46.1175.5-74.3-179.5138.800112H184 L219 Q227 R228 A230H184-E223 WeakPolarHBondContact NE2-CG 3.41Å; L219-E223 HydrophobicContact CD1-CG 4.21Å; L219-E223 HydrophobicContact CG-CG 4.31Å; L219-E223 WeakPolarHBondContact O-CG 3.46Å; L219-E223 PolarHBondContact O-N 2.85Å; E223-Q227 VanDerWaalsContact O-CA 3.28Å; E223-Q227 WeakPolarHBondContact O-CA 3.24Å; E223-Q227 PolarHBondContact O-N 3.33Å; E223-R228 WeakPolarHBondContact CA-O 3.34Å; E223-R228 PolarHBondContact O-N 3.42Å; E223-R228 VanDerWaalsContact O-N 3.16Å; E223-A230 WeakPolarHBondContact OE1-CB 3.35Å; E223-A230 PolarHBondContact OE1-N 3.27Å
224E89.9Confident80.6Confident147 Ų14760.2 Ų60.269%0.68730%0.304SS*.Hα-helixtrans-66.8-43.3178.6-169.462.7-152.800111.5S220 I221 I222 Q227S220-E224 PolarHBondContact O-N 2.83Å; I221-E224 PolarHBondContact O-N 3.43Å; I222-E224 VanDerWaalsContact C-N 3.3Å; I222-E224 PolarHBondContact O-N 3.27Å; E224-Q227 PolarHBondContact O-N 3.22Å
225C90Very high78.2Confident22 Ų2265.2 Ų65.215%0.14933%0.326CS..Hα-helixtrans-72.8-29.6-176.7-66.60000113.6L202 A203 I221 I222L202-C225 HydrophobicContact CD2-CB 4.24Å; L202-C225 HydrophobicContact CG-CB 4.41Å; A203-C225 VanDerWaalsContact CA-SG 3.56Å; A203-C225 HydrophobicContact CB-CB 4.09Å; I221-C225 WeakPolarHBondContact O-CB 3.43Å; I221-C225 PolarHBondContact O-N 3.43Å; I221-C225 PolarHBondContact O-SG 3.48Å; I222-C225 PolarHBondContact O-N 2.87Å
226V85.3Confident75.8Confident27 Ų2771.4 Ų71.416%0.16436%0.359CS..Hα-helixtrans-94.8-9.6176.6-175.30000111.6L185 A188 T189 I222 R228L185-V226 HydrophobicContact CD1-CG2 3.47Å; L185-V226 VanDerWaalsContact CD1-CG2 3.47Å; A188-V226 HydrophobicContact CB-CG1 3.75Å; T189-V226 HydrophobicContact CG2-CG1 4.21Å; I222-V226 HydrophobicContact CG2-CG2 4.07Å; I222-V226 WeakPolarHBondContact O-CB 3.46Å; I222-V226 WeakPolarHBondContact O-CG2 3.44Å; I222-V226 PolarHBondContact O-N 3.39Å; V226-R228 VanDerWaalsContact C-N 3.26Å; V226-R228 HydrophobicContact CG1-CG 4.49Å; V226-R228 PolarHBondContact O-N 3.08Å
227Q77.5Confident73.6Confident174 Ų17468.6 Ų68.681%0.81335%0.347SS*.THydrogen-bonded Turntrans55.737.4-176.3-57.9-174.8-33.500113.2E223 E224E223-Q227 VanDerWaalsContact O-CA 3.28Å; E223-Q227 WeakPolarHBondContact O-CA 3.24Å; E223-Q227 PolarHBondContact O-N 3.33Å; E224-Q227 PolarHBondContact O-N 3.22Å
228R71.6Confident71.7Confident72 Ų7273.7 Ų73.727%0.27237%0.374SS..  trans-138.3133.1175.7-66.4-166-173.7-175.32110H184 A188 E223 V226 D271H184-R228 PolarHBondContact CE1-O 3.39Å; H184-R228 PolarHBondContact NE2-O 2.92Å; A188-R228 HydrophobicContact CB-CB 4.04Å; A188-R228 WeakPolarHBondContact O-CD 3.37Å; A188-R228 PolarHBondContact O-NE 3.21Å; A188-R228 PolarHBondContact O-NH1 3.31Å; E223-R228 WeakPolarHBondContact CA-O 3.34Å; E223-R228 PolarHBondContact O-N 3.42Å; E223-R228 VanDerWaalsContact O-N 3.16Å; V226-R228 VanDerWaalsContact C-N 3.26Å; V226-R228 HydrophobicContact CG1-CG 4.49Å; V226-R228 PolarHBondContact O-N 3.08Å; R228-D271 IonicContact NH1-OD2 3.9Å; R228-D271 PolarHBondContact NH1-OD2 2.99Å
229K67.1Low70.3Confident132 Ų13273.1 Ų73.157%0.57437%0.372SS*.PPolyproline II helixtrans-86.5143.5179-65.7-177.5179.3178.80111.2H184H184-K229 VanDerWaalsContact CE1-C 3.46Å
230A58.2Low69.3Low15 Ų1573.1 Ų73.112%0.12437%0.372CS..PPolyproline II helixtrans-69.1152.6165.700000109.7H184 L219 E223H184-A230 PolarHBondContact CE1-N 2.94Å; H184-A230 VanDerWaalsContact CE1-N 3.31Å; L219-A230 HydrophobicContact CD1-CB 4.14Å; L219-A230 HydrophobicContact CD2-CB 4.14Å; E223-A230 WeakPolarHBondContact OE1-CB 3.35Å; E223-A230 PolarHBondContact OE1-N 3.27Å
231L57.8Low68.7Low21 Ų2175.8 Ų75.811%0.1137%0.372CS..PPolyproline II helixtrans-70.4135.2171-75.2167.5000108.8H233 D234 H240 V243 R265 A269L231-H233 PolarHBondContact O-N 2.97Å; L231-D234 WeakPolarHBondContact O-CB 3.15Å; L231-D234 PolarHBondContact O-N 3.34Å; L231-H240 HydrophobicContact CD1-CB 3.9Å; L231-H240 WeakPolarHBondContact CD1-ND1 3.45Å; L231-V243 HydrophobicContact CD1-CB 4.15Å; L231-V243 HydrophobicContact CD1-CG2 4.04Å; L231-R265 HydrophobicContact CD2-CB 4.01Å; L231-R265 WeakPolarHBondContact CD2-O 3.4Å; L231-A269 HydrophobicContact CD2-CB 3.78Å; L231-A269 HydrophobicContact CG-CB 4.07Å
232T52.6Low68.4Low130 Ų13078.7 Ų78.780%0.79839%0.388SS*.THydrogen-bonded Turntrans-60.86.6-173.148.10000116.7
233H48.2Very low68.2Low124 Ų12479 Ų7957%0.57439%0.39SS*.THydrogen-bonded Turntrans-125.138.7-179.5-65.4-50.9000112.1L231L231-H233 PolarHBondContact O-N 2.97Å
234D51.1Low68.3Low34 Ų3477.2 Ų77.218%0.18238%0.381CS..  trans-100.4124.1-174.5-156.5-4.8000112.2R187 L231 G237R187-D234 IonicContact NH1-OD2 2.68Å; L231-D234 WeakPolarHBondContact O-CB 3.15Å; L231-D234 PolarHBondContact O-N 3.34Å; D234-G237 WeakPolarHBondContact OD1-CA 3.07Å; D234-G237 PolarHBondContact OD1-N 3.14Å
235K44.2Very low68.4Low177 Ų17771.9 Ų71.977%0.7736%0.36SS*.SBendtrans-136-41.1155-78-164.3176.4-171.70109.5
236D48.4Very low68.7Low138 Ų13871.7 Ų71.774%0.73836%0.36SS*.SBendtrans-109.3-2.5-176.1-55.7-39.3000113D238D236-D238 VanDerWaalsContact C-N 3.28Å; D236-D238 PolarHBondContact O-N 2.73Å; D236-D238 VanDerWaalsContact O-N 3.13Å
237G50.6Low69.3Low2 Ų270.4 Ų70.42%0.02135%0.353CS..SBendtrans78-8.9167.200000119.8R187 D234 A239R187-G237 VanDerWaalsContact CZ-C 3.44Å; R187-G237 PolarHBondContact NH1-O 3.47Å; R187-G237 VanDerWaalsContact NH1-O 3.17Å; R187-G237 VanDerWaalsContact NH2-C 3.28Å; R187-G237 PolarHBondContact NH2-O 2.96Å; D234-G237 WeakPolarHBondContact OD1-CA 3.07Å; D234-G237 PolarHBondContact OD1-N 3.14Å; G237-A239 PolarHBondContact O-N 2.8Å
238D58.3Low70.3Confident107 Ų10762.9 Ų62.957%0.57232%0.318SS*.THydrogen-bonded Turntrans-65.8-16.9170-72.3-26.9000112.8D236 H240 Y241 D242D236-D238 VanDerWaalsContact C-N 3.28Å; D236-D238 PolarHBondContact O-N 2.73Å; D236-D238 VanDerWaalsContact O-N 3.13Å; D238-H240 VanDerWaalsContact C-N 3.27Å; D238-H240 PolarHBondContact O-N 3.46Å; D238-H240 VanDerWaalsContact O-N 3.14Å; D238-Y241 PolarHBondContact O-N 3.06Å; D238-Y241 VanDerWaalsContact O-N 3.13Å; D238-D242 PolarHBondContact O-N 3.21Å
239A65.5Low71.5Confident22 Ų2265.3 Ų65.318%0.18233%0.33CS..Hα-helixtrans-57.8-32.9-174.700000113.9G237 D242 V243G237-A239 PolarHBondContact O-N 2.8Å; A239-D242 PolarHBondContact O-N 3.22Å; A239-V243 WeakPolarHBondContact O-CB 3.49Å; A239-V243 VanDerWaalsContact O-CG2 3.27Å; A239-V243 WeakPolarHBondContact O-CG2 3.42Å; A239-V243 PolarHBondContact O-N 2.94Å
240H71.1Confident73Confident31 Ų3159.7 Ų59.714%0.14431%0.308CS..Hα-helixtrans-68.1-45.9178-17280.1000111.8L231 D238 D242 V243 I244 I274L231-H240 HydrophobicContact CD1-CB 3.9Å; L231-H240 WeakPolarHBondContact CD1-ND1 3.45Å; D238-H240 VanDerWaalsContact C-N 3.27Å; D238-H240 PolarHBondContact O-N 3.46Å; D238-H240 VanDerWaalsContact O-N 3.14Å; H240-D242 VanDerWaalsContact C-N 3.29Å; H240-D242 PolarHBondContact O-N 3.02Å; H240-V243 PolarHBondContact O-N 3.41Å; H240-I244 VanDerWaalsContact CD2-CD1 3.48Å; H240-I244 WeakPolarHBondContact CD2-CD1 3.22Å; H240-I244 WeakPolarHBondContact NE2-CD1 3.49Å; H240-I244 WeakPolarHBondContact O-CG1 3.49Å; H240-I244 PolarHBondContact O-N 2.75Å; H240-I274 VanDerWaalsContact NE2-CD1 3.26Å; H240-I274 WeakPolarHBondContact NE2-CD1 3.31Å
241Y78.6Confident75Confident126 Ų12659 Ų5949%0.49430%0.302SS..Hα-helixtrans-64.5-37.2174.4-69.9-70.9000111.3E152 D238 I244 S245E152-Y241 WeakPolarHBondContact OE1-CE2 3.47Å; E152-Y241 VanDerWaalsContact OE1-CZ 3.31Å; E152-Y241 PolarHBondContact OE1-OH 3.03Å; D238-Y241 PolarHBondContact O-N 3.06Å; D238-Y241 VanDerWaalsContact O-N 3.13Å; Y241-I244 PolarHBondContact O-N 2.87Å; Y241-S245 WeakPolarHBondContact O-CB 3.35Å; Y241-S245 PolarHBondContact O-N 3.34Å
242D86.6Confident76.9Confident102 Ų10262.9 Ų62.955%0.54532%0.315SS..Hα-helixtrans-63.8-41.6173.4-74.2-25.3000112.1D238 A239 H240 S245 A246D238-D242 PolarHBondContact O-N 3.21Å; A239-D242 PolarHBondContact O-N 3.22Å; H240-D242 VanDerWaalsContact C-N 3.29Å; H240-D242 PolarHBondContact O-N 3.02Å; D242-S245 PolarHBondContact O-N 2.99Å; D242-A246 WeakPolarHBondContact O-CB 3.48Å; D242-A246 PolarHBondContact O-N 3.2Å
243V90.7Very high79.1Confident7 Ų759.4 Ų59.44%0.04231%0.305CS..Hα-helixtrans-65.7-44.6175.8171.20000111L231 A239 H240 S245 A246 F247 Y262 R265 L266L231-V243 HydrophobicContact CD1-CB 4.15Å; L231-V243 HydrophobicContact CD1-CG2 4.04Å; A239-V243 WeakPolarHBondContact O-CB 3.49Å; A239-V243 VanDerWaalsContact O-CG2 3.27Å; A239-V243 WeakPolarHBondContact O-CG2 3.42Å; A239-V243 PolarHBondContact O-N 2.94Å; H240-V243 PolarHBondContact O-N 3.41Å; V243-S245 VanDerWaalsContact C-N 3.33Å; V243-S245 PolarHBondContact O-N 3.15Å; V243-A246 PolarHBondContact O-N 2.98Å; V243-F247 WeakPolarHBondContact O-CB 3.25Å; V243-F247 PolarHBondContact O-N 3.23Å; V243-Y262 HydrophobicContact CG1-CD1 4.22Å; V243-R265 HydrophobicContact CG1-CB 3.96Å; V243-L266 HydrophobicContact CG1-CD1 4.41Å; V243-L266 HydrophobicContact CG1-CD2 3.78Å; V243-L266 HydrophobicContact CG1-CG 3.75Å
244I91.4Very high81.5Confident11 Ų1156.1 Ų56.16%0.05630%0.296CS..Hα-helixtrans-62.1-43.9175.2-64.1166.2000110.6H240 Y241 F247 Q248 L266 I274 R278H240-I244 VanDerWaalsContact CD2-CD1 3.48Å; H240-I244 WeakPolarHBondContact CD2-CD1 3.22Å; H240-I244 WeakPolarHBondContact NE2-CD1 3.49Å; H240-I244 WeakPolarHBondContact O-CG1 3.49Å; H240-I244 PolarHBondContact O-N 2.75Å; Y241-I244 PolarHBondContact O-N 2.87Å; I244-F247 WeakPolarHBondContact O-CB 3.46Å; I244-F247 PolarHBondContact O-N 2.94Å; I244-Q248 WeakPolarHBondContact O-CB 3.28Å; I244-Q248 PolarHBondContact O-N 3.14Å; I244-L266 HydrophobicContact CG1-CD2 4.01Å; I244-I274 HydrophobicContact CD1-CG2 3.49Å; I244-I274 VanDerWaalsContact CD1-CG2 3.49Å; I244-I274 HydrophobicContact CG1-CG2 3.87Å; I244-R278 HydrophobicContact CG2-CG 4.08Å; I244-R278 VanDerWaalsContact CG2-NE 3.27Å
245S92.7Very high83.7Confident35 Ų3558.1 Ų58.125%0.24531%0.307CS..Hα-helixtrans-65.3-44.7-178.9-166.20000110.7Y241 D242 V243 Q248 K249Y241-S245 WeakPolarHBondContact O-CB 3.35Å; Y241-S245 PolarHBondContact O-N 3.34Å; D242-S245 PolarHBondContact O-N 2.99Å; V243-S245 VanDerWaalsContact C-N 3.33Å; V243-S245 PolarHBondContact O-N 3.15Å; S245-Q248 PolarHBondContact O-N 3.48Å; S245-K249 VanDerWaalsContact O-CB 3.3Å; S245-K249 WeakPolarHBondContact O-CB 3.33Å; S245-K249 WeakPolarHBondContact O-CD 3.3Å; S245-K249 WeakPolarHBondContact O-CG 3.41Å; S245-K249 PolarHBondContact O-N 3.01Å; S245-K249 VanDerWaalsContact OG-CE 3.29Å; S245-K249 WeakPolarHBondContact OG-CE 3.34Å; S245-K249 PolarHBondContact OG-NZ 3.22Å
246A96Very high86.3Confident18 Ų1851.1 Ų51.115%0.14928%0.279CS..Hα-helixtrans-66.5-42.1176.600000111D242 V243 Q248 K249 S250 Y262D242-A246 WeakPolarHBondContact O-CB 3.48Å; D242-A246 PolarHBondContact O-N 3.2Å; V243-A246 PolarHBondContact O-N 2.98Å; A246-Q248 PolarHBondContact O-N 3.21Å; A246-K249 PolarHBondContact O-N 3.32Å; A246-S250 WeakPolarHBondContact O-CB 3.44Å; A246-S250 PolarHBondContact O-N 3.25Å; A246-S250 PolarHBondContact O-OG 3.31Å; A246-Y262 HydrophobicContact CB-CD1 3.91Å; A246-Y262 HydrophobicContact CB-CD2 3.82Å; A246-Y262 HydrophobicContact CB-CE1 3.55Å; A246-Y262 HydrophobicContact CB-CE2 3.47Å; A246-Y262 VanDerWaalsContact CB-CE2 3.47Å; A246-Y262 HydrophobicContact CB-CG 4.06Å
247F97.4Very high88.7Confident0 Ų050.8 Ų50.80%028%0.277CS..Hα-helixtrans-53.1-51.8171.8175.4-125.7000111.9V243 I244 S250 I251 A259 L263 L266 R278 L279 I282 V321V243-F247 WeakPolarHBondContact O-CB 3.25Å; V243-F247 PolarHBondContact O-N 3.23Å; I244-F247 WeakPolarHBondContact O-CB 3.46Å; I244-F247 PolarHBondContact O-N 2.94Å; F247-S250 PolarHBondContact O-N 3.31Å; F247-I251 HydrophobicContact CD1-CD1 4.46Å; F247-I251 HydrophobicContact CD2-CD1 4.03Å; F247-I251 HydrophobicContact CE1-CD1 4.01Å; F247-I251 HydrophobicContact CE2-CD1 3.52Å; F247-I251 HydrophobicContact CE2-CG1 4.31Å; F247-I251 HydrophobicContact CG-CD1 4.48Å; F247-I251 HydrophobicContact CZ-CD1 3.52Å; F247-I251 WeakPolarHBondContact O-CG1 3.44Å; F247-I251 PolarHBondContact O-N 2.93Å; F247-I251 VanDerWaalsContact O-N 3.14Å; F247-A259 WeakPolarHBondContact CD2-O 3.4Å; F247-L263 HydrophobicContact CD2-CB 4.32Å; F247-L263 HydrophobicContact CE2-CB 3.82Å; F247-L263 HydrophobicContact CZ-CB 4.47Å; F247-L263 HydrophobicContact CZ-CD1 4.36Å; F247-L266 HydrophobicContact CB-CD1 4.24Å; F247-L266 HydrophobicContact CD1-CD1 3.88Å; F247-L266 HydrophobicContact CE1-CD1 4.42Å; F247-L266 HydrophobicContact CG-CD1 4.05Å; F247-R278 HydrophobicContact CD1-CG 4.09Å; F247-R278 HydrophobicContact CE1-CG 4.25Å; F247-L279 HydrophobicContact CE1-CD2 4.24Å; F247-L279 HydrophobicContact CE1-CG 4.24Å; F247-L279 HydrophobicContact CZ-CD2 3.86Å; F247-L279 HydrophobicContact CZ-CG 4.17Å; F247-I282 HydrophobicContact CE1-CD1 4.41Å; F247-V321 HydrophobicContact CE2-CG1 4.34Å; F247-V321 HydrophobicContact CE2-CG2 3.65Å; F247-V321 HydrophobicContact CZ-CG2 3.61Å
248Q97.7Very high91Very high17 Ų1751.8 Ų51.88%0.07929%0.285CS..Hα-helixtrans-62.2-48.1177.1176.4168.36.600112.3I244 S245 A246 S250 I251 R252 I282 E285I244-Q248 WeakPolarHBondContact O-CB 3.28Å; I244-Q248 PolarHBondContact O-N 3.14Å; S245-Q248 PolarHBondContact O-N 3.48Å; A246-Q248 PolarHBondContact O-N 3.21Å; Q248-S250 VanDerWaalsContact C-N 3.29Å; Q248-S250 PolarHBondContact O-N 3.41Å; Q248-I251 PolarHBondContact O-N 2.83Å; Q248-R252 WeakPolarHBondContact O-CB 3.37Å; Q248-R252 PolarHBondContact O-N 3.08Å; Q248-I282 HydrophobicContact CB-CD1 3.89Å; Q248-I282 HydrophobicContact CB-CG1 4.4Å; Q248-I282 HydrophobicContact CG-CD1 3.97Å; Q248-I282 HydrophobicContact CG-CG1 3.92Å; Q248-E285 PolarHBondContact NE2-OE1 2.9Å; Q248-E285 PolarHBondContact NE2-OE2 3.32Å
249K98.3Very high92.9Very high122 Ų12246.7 Ų46.753%0.5326%0.258SS..Hα-helixtrans-63-34.4179.7-73.8164.7-179.2156.40112S245 A246 G253S245-K249 VanDerWaalsContact O-CB 3.3Å; S245-K249 WeakPolarHBondContact O-CB 3.33Å; S245-K249 WeakPolarHBondContact O-CD 3.3Å; S245-K249 WeakPolarHBondContact O-CG 3.41Å; S245-K249 PolarHBondContact O-N 3.01Å; S245-K249 VanDerWaalsContact OG-CE 3.29Å; S245-K249 WeakPolarHBondContact OG-CE 3.34Å; S245-K249 PolarHBondContact OG-NZ 3.22Å; A246-K249 PolarHBondContact O-N 3.32Å; K249-G253 WeakPolarHBondContact O-CA 3.08Å; K249-G253 PolarHBondContact O-N 2.97Å
250S98.7Very high94.5Very high15 Ų1548.6 Ų48.611%0.10527%0.265CS..Hα-helixtrans-66.6-43.5174.5-65.80000111.9A246 F247 Q248 G253 S254 D255 A258 Y262A246-S250 WeakPolarHBondContact O-CB 3.44Å; A246-S250 PolarHBondContact O-N 3.25Å; A246-S250 PolarHBondContact O-OG 3.31Å; F247-S250 PolarHBondContact O-N 3.31Å; Q248-S250 VanDerWaalsContact C-N 3.29Å; Q248-S250 PolarHBondContact O-N 3.41Å; S250-G253 CarbonylContact O-C 3.48Å; S250-G253 PolarHBondContact O-N 3.24Å; S250-S254 PolarHBondContact O-N 3.47Å; S250-D255 PolarHBondContact O-N 2.96Å; S250-A258 VanDerWaalsContact OG-CB 3.23Å; S250-A258 WeakPolarHBondContact OG-CB 3.41Å; S250-Y262 WeakPolarHBondContact OG-CD2 3Å; S250-Y262 WeakPolarHBondContact OG-CE2 3.27Å
251I98.8Very high95.8Very high0 Ų051.9 Ų51.90%028%0.28CS..Hα-helixtrans-64.5-47.7175.2-63.6165.4000110.8F247 Q248 G253 S254 A259 L279 I282 I287 V321 L324 K329F247-I251 HydrophobicContact CD1-CD1 4.46Å; F247-I251 HydrophobicContact CD2-CD1 4.03Å; F247-I251 HydrophobicContact CE1-CD1 4.01Å; F247-I251 HydrophobicContact CE2-CD1 3.52Å; F247-I251 HydrophobicContact CE2-CG1 4.31Å; F247-I251 HydrophobicContact CG-CD1 4.48Å; F247-I251 HydrophobicContact CZ-CD1 3.52Å; F247-I251 WeakPolarHBondContact O-CG1 3.44Å; F247-I251 PolarHBondContact O-N 2.93Å; F247-I251 VanDerWaalsContact O-N 3.14Å; Q248-I251 PolarHBondContact O-N 2.83Å; I251-G253 VanDerWaalsContact C-N 3.28Å; I251-G253 PolarHBondContact O-N 3.45Å; I251-S254 PolarHBondContact O-N 2.92Å; I251-A259 HydrophobicContact CG1-CB 3.74Å; I251-L279 HydrophobicContact CD1-CD2 4.11Å; I251-I282 HydrophobicContact CB-CG2 4.15Å; I251-I282 HydrophobicContact CD1-CD1 3.69Å; I251-I282 HydrophobicContact CD1-CG2 4.34Å; I251-I282 HydrophobicContact CG2-CG2 3.53Å; I251-I287 HydrophobicContact CG2-CD1 4.49Å; I251-V321 HydrophobicContact CD1-CG2 4.29Å; I251-V321 HydrophobicContact CG1-CG1 4.4Å; I251-L324 HydrophobicContact CG2-CB 3.68Å; I251-K329 WeakPolarHBondContact O-CE 3.39Å
252R98.4Very high96.7Very high102 Ų10248.8 Ų48.839%0.38527%0.268SS..Hα-helixtrans-56.8-42.6174.9-176.2-174.4-63.9138.31.4111.8Q248 S254 E285 D286 K329Q248-R252 WeakPolarHBondContact O-CB 3.37Å; Q248-R252 PolarHBondContact O-N 3.08Å; R252-S254 PolarHBondContact O-N 3.46Å; R252-E285 IonicContact CZ-OE1 3.69Å; R252-E285 IonicContact NH2-OE1 3.96Å; R252-E285 PolarHBondContact NH2-OE1 3.04Å; R252-D286 HydrophobicContact CB-CB 4.49Å; R252-D286 WeakPolarHBondContact CD-OD1 3.26Å; R252-D286 WeakPolarHBondContact CG-OD1 3.38Å; R252-D286 IonicContact CZ-OD1 3.25Å; R252-D286 IonicContact NE-OD1 2.76Å; R252-D286 PolarHBondContact NE-OD1 2.91Å; R252-D286 IonicContact NE-OD2 2.77Å; R252-D286 IonicContact NH2-OD1 2.73Å; R252-D286 PolarHBondContact NH2-OD1 3.17Å; R252-D286 IonicContact NH2-OD2 3.08Å; R252-K329 WeakPolarHBondContact O-CE 3.36Å
253G98.1Very high97.2Very high57 Ų5744.2 Ų44.259%0.58824%0.243SC*.THydrogen-bonded Turntrans-74.9-2.4176.900000114.8K249 S250 I251 D255K249-G253 WeakPolarHBondContact O-CA 3.08Å; K249-G253 PolarHBondContact O-N 2.97Å; S250-G253 CarbonylContact O-C 3.48Å; S250-G253 PolarHBondContact O-N 3.24Å; I251-G253 VanDerWaalsContact C-N 3.28Å; I251-G253 PolarHBondContact O-N 3.45Å; G253-D255 PolarHBondContact O-N 3.46Å
254S98.4Very high97.4Very high56 Ų5645.5 Ų45.539%0.39226%0.257SS..THydrogen-bonded Turntrans61.825-178.9-46.50000114.6S250 I251 R252 V256 C325 K329S250-S254 PolarHBondContact O-N 3.47Å; I251-S254 PolarHBondContact O-N 2.92Å; R252-S254 PolarHBondContact O-N 3.46Å; S254-V256 PolarHBondContact O-N 3.44Å; S254-C325 WeakPolarHBondContact CA-O 3.4Å; S254-C325 WeakPolarHBondContact CB-O 3.27Å; S254-C325 PolarHBondContact OG-O 3.03Å; S254-K329 WeakPolarHBondContact OG-CE 3.31Å; S254-K329 PolarHBondContact OG-NZ 3.45Å; S254-K329 VanDerWaalsContact OG-NZ 3.08Å
255D98.7Very high97.4Very high75 Ų7548.4 Ų48.440%0.40127%0.268SS..  trans-93.198174.8-171.7-24.7000110.4S250 G253 N257 A258 A259S250-D255 PolarHBondContact O-N 2.96Å; G253-D255 PolarHBondContact O-N 3.46Å; D255-N257 VanDerWaalsContact C-N 3.33Å; D255-N257 PolarHBondContact O-N 3.22Å; D255-N257 PolarHBondContact OD1-N 3.13Å; D255-A258 HydrophobicContact CB-CB 4.05Å; D255-A258 VanDerWaalsContact CG-CB 3.5Å; D255-A258 PolarHBondContact OD1-N 3.04Å; D255-A259 VanDerWaalsContact O-CB 3.24Å; D255-A259 WeakPolarHBondContact O-CB 3.47Å; D255-A259 PolarHBondContact O-N 3.25Å
256V98.8Very high97.4Very high30 Ų3046.8 Ų46.818%0.18226%0.256CS..Hα-helixtrans-60.8-41.2179.9179.40000111.7S254 A259 L260 V322 C325 L326S254-V256 PolarHBondContact O-N 3.44Å; V256-A259 PolarHBondContact O-N 2.82Å; V256-L260 HydrophobicContact CG1-CD1 3.77Å; V256-L260 HydrophobicContact CG1-CG 4.23Å; V256-L260 WeakPolarHBondContact O-CB 3.26Å; V256-L260 VanDerWaalsContact O-CG 3.26Å; V256-L260 WeakPolarHBondContact O-CG 3.48Å; V256-L260 PolarHBondContact O-N 2.87Å; V256-V322 HydrophobicContact CG1-CG2 3.97Å; V256-C325 HydrophobicContact CB-CB 4.46Å; V256-C325 HydrophobicContact CG2-CB 3.6Å; V256-L326 HydrophobicContact CG2-CD1 4.46Å; V256-L326 HydrophobicContact CG2-CD2 3.77Å; V256-L326 HydrophobicContact CG2-CG 3.92Å
257N98.8Very high97.3Very high132 Ų13247.2 Ų47.271%0.70626%0.257SS*.Hα-helixtrans-69.4-46.8-174.4-65.6-42.6000110.5D255 L260 H261D255-N257 VanDerWaalsContact C-N 3.33Å; D255-N257 PolarHBondContact O-N 3.22Å; D255-N257 PolarHBondContact OD1-N 3.13Å; N257-L260 PolarHBondContact O-N 3.42Å; N257-H261 WeakPolarHBondContact O-CB 3.23Å; N257-H261 PolarHBondContact O-N 3.49Å
258A98.7Very high96.8Very high23 Ų2353.7 Ų53.719%0.1929%0.287CS..Hα-helixtrans-63.6-43.5176.200000111.1S250 D255 L260 H261 Y262S250-A258 VanDerWaalsContact OG-CB 3.23Å; S250-A258 WeakPolarHBondContact OG-CB 3.41Å; D255-A258 HydrophobicContact CB-CB 4.05Å; D255-A258 VanDerWaalsContact CG-CB 3.5Å; D255-A258 PolarHBondContact OD1-N 3.04Å; A258-L260 PolarHBondContact O-N 2.93Å; A258-H261 WeakPolarHBondContact O-CB 3.49Å; A258-H261 PolarHBondContact O-N 2.8Å; A258-Y262 HydrophobicContact CB-CE2 4.23Å; A258-Y262 WeakPolarHBondContact O-CD2 3.37Å; A258-Y262 PolarHBondContact O-N 3.17Å
259A98.6Very high96.2Very high0 Ų053.2 Ų53.20%029%0.287CS..Hα-helixtrans-61.8-43.7178.700000112.4F247 I251 D255 V256 Y262 L263 V321 C325F247-A259 WeakPolarHBondContact CD2-O 3.4Å; I251-A259 HydrophobicContact CG1-CB 3.74Å; D255-A259 VanDerWaalsContact O-CB 3.24Å; D255-A259 WeakPolarHBondContact O-CB 3.47Å; D255-A259 PolarHBondContact O-N 3.25Å; V256-A259 PolarHBondContact O-N 2.82Å; A259-Y262 PolarHBondContact O-N 3.4Å; A259-L263 WeakPolarHBondContact O-CB 3.46Å; A259-L263 PolarHBondContact O-N 3.46Å; A259-V321 HydrophobicContact CB-CG1 3.67Å; A259-C325 WeakPolarHBondContact CB-SG 3.34Å
260L98.7Very high95.4Very high62 Ų6249.1 Ų49.133%0.32528%0.279SS..Hα-helixtrans-66.8-36.4176-71.8175.7000112.4V256 N257 A258 L263 G264 A318 V321 V322V256-L260 HydrophobicContact CG1-CD1 3.77Å; V256-L260 HydrophobicContact CG1-CG 4.23Å; V256-L260 WeakPolarHBondContact O-CB 3.26Å; V256-L260 VanDerWaalsContact O-CG 3.26Å; V256-L260 WeakPolarHBondContact O-CG 3.48Å; V256-L260 PolarHBondContact O-N 2.87Å; N257-L260 PolarHBondContact O-N 3.42Å; A258-L260 PolarHBondContact O-N 2.93Å; L260-L263 HydrophobicContact CD2-CD2 4.44Å; L260-L263 PolarHBondContact O-N 3.48Å; L260-G264 PolarHBondContact O-N 3.41Å; L260-A318 HydrophobicContact CD2-CB 4.34Å; L260-V321 HydrophobicContact CD2-CB 4.37Å; L260-V321 HydrophobicContact CD2-CG1 3.99Å; L260-V321 HydrophobicContact CG-CG1 4.39Å; L260-V322 HydrophobicContact CD1-CG2 4.22Å; L260-V322 HydrophobicContact CD2-CG2 4.29Å
261H98Very high94.6Very high99 Ų9948.8 Ų48.846%0.45828%0.276SS..Hα-helixtrans-62.7-47.6174.6177.682.5000111.9N257 A258 G264 R265N257-H261 WeakPolarHBondContact O-CB 3.23Å; N257-H261 PolarHBondContact O-N 3.49Å; A258-H261 WeakPolarHBondContact O-CB 3.49Å; A258-H261 PolarHBondContact O-N 2.8Å; H261-G264 PolarHBondContact O-N 3.47Å; H261-R265 VanDerWaalsContact NE2-CZ 3.3Å; H261-R265 PolarHBondContact NE2-NE 3.23Å; H261-R265 PolarHBondContact NE2-NH2 3.46Å; H261-R265 PolarHBondContact O-N 3.46Å
262Y96.8Very high94.1Very high61 Ų6149.8 Ų49.824%0.23928%0.281CS..Hα-helixtrans-69.3-35.1177.3-65-62.2000112.4V243 A246 S250 A258 A259 G264 R265 L266V243-Y262 HydrophobicContact CG1-CD1 4.22Å; A246-Y262 HydrophobicContact CB-CD1 3.91Å; A246-Y262 HydrophobicContact CB-CD2 3.82Å; A246-Y262 HydrophobicContact CB-CE1 3.55Å; A246-Y262 HydrophobicContact CB-CE2 3.47Å; A246-Y262 VanDerWaalsContact CB-CE2 3.47Å; A246-Y262 HydrophobicContact CB-CG 4.06Å; S250-Y262 WeakPolarHBondContact OG-CD2 3Å; S250-Y262 WeakPolarHBondContact OG-CE2 3.27Å; A258-Y262 HydrophobicContact CB-CE2 4.23Å; A258-Y262 WeakPolarHBondContact O-CD2 3.37Å; A258-Y262 PolarHBondContact O-N 3.17Å; A259-Y262 PolarHBondContact O-N 3.4Å; Y262-G264 VanDerWaalsContact C-N 3.32Å; Y262-G264 PolarHBondContact O-N 2.92Å; Y262-R265 PolarHBondContact O-N 2.62Å; Y262-L266 WeakPolarHBondContact O-CG 3.37Å; Y262-L266 PolarHBondContact O-N 2.74Å; Y262-L266 VanDerWaalsContact O-N 3.1Å
263L97.2Very high93.6Very high7 Ų747.6 Ų47.64%0.03728%0.28CS..Hα-helixtrans-57.9-46.7168.317663.6000110.7F247 A259 L260 R265 L266 V267 I275 L317 V321F247-L263 HydrophobicContact CD2-CB 4.32Å; F247-L263 HydrophobicContact CE2-CB 3.82Å; F247-L263 HydrophobicContact CZ-CB 4.47Å; F247-L263 HydrophobicContact CZ-CD1 4.36Å; A259-L263 WeakPolarHBondContact O-CB 3.46Å; A259-L263 PolarHBondContact O-N 3.46Å; L260-L263 HydrophobicContact CD2-CD2 4.44Å; L260-L263 PolarHBondContact O-N 3.48Å; L263-R265 VanDerWaalsContact C-N 3.31Å; L263-R265 PolarHBondContact O-N 3.29Å; L263-L266 PolarHBondContact O-N 3.01Å; L263-L266 VanDerWaalsContact O-N 3.07Å; L263-V267 HydrophobicContact CD1-CG2 4.06Å; L263-V267 HydrophobicContact CG-CG2 4.15Å; L263-V267 WeakPolarHBondContact O-CG2 3.16Å; L263-V267 PolarHBondContact O-N 3.41Å; L263-I275 HydrophobicContact CD1-CD1 4.19Å; L263-I275 HydrophobicContact CD1-CG1 4.37Å; L263-I275 HydrophobicContact CD1-CG2 3.75Å; L263-L317 HydrophobicContact CD1-CB 4.44Å; L263-L317 HydrophobicContact CD2-CB 4.28Å; L263-V321 HydrophobicContact CD2-CB 4.47Å; L263-V321 HydrophobicContact CD2-CG2 3.93Å
264G95.5Very high93.1Very high33 Ų3345.9 Ų45.934%0.3426%0.257SS..Hα-helixtrans-56.1-44.1177.900000112.5L260 H261 Y262 L266 V267 E268L260-G264 PolarHBondContact O-N 3.41Å; H261-G264 PolarHBondContact O-N 3.47Å; Y262-G264 VanDerWaalsContact C-N 3.32Å; Y262-G264 PolarHBondContact O-N 2.92Å; G264-L266 PolarHBondContact O-N 2.95Å; G264-V267 PolarHBondContact O-N 3.46Å; G264-E268 WeakPolarHBondContact O-CG 3.48Å; G264-E268 PolarHBondContact O-N 3.39Å
265R92.4Very high92.9Very high72 Ų7243.2 Ų43.227%0.27224%0.239SC..Hα-helixtrans-59.2-44.2173.7-68.7-177.5179.1-161.3-5.7112.4L231 V243 H261 Y262 L263 E268 A269L231-R265 HydrophobicContact CD2-CB 4.01Å; L231-R265 WeakPolarHBondContact CD2-O 3.4Å; V243-R265 HydrophobicContact CG1-CB 3.96Å; H261-R265 VanDerWaalsContact NE2-CZ 3.3Å; H261-R265 PolarHBondContact NE2-NE 3.23Å; H261-R265 PolarHBondContact NE2-NH2 3.46Å; H261-R265 PolarHBondContact O-N 3.46Å; Y262-R265 PolarHBondContact O-N 2.62Å; L263-R265 VanDerWaalsContact C-N 3.31Å; L263-R265 PolarHBondContact O-N 3.29Å; R265-E268 PolarHBondContact O-N 2.79Å; R265-A269 PolarHBondContact O-N 2.77Å; R265-A269 VanDerWaalsContact O-N 3.1Å
266L91.9Very high92.8Very high1 Ų139.7 Ų39.71%0.00522%0.219CC..Hα-helixtrans-67.6-35.6178-65168.5000112.4V243 I244 F247 Y262 L263 G264 A269 G270 D271 I275V243-L266 HydrophobicContact CG1-CD1 4.41Å; V243-L266 HydrophobicContact CG1-CD2 3.78Å; V243-L266 HydrophobicContact CG1-CG 3.75Å; I244-L266 HydrophobicContact CG1-CD2 4.01Å; F247-L266 HydrophobicContact CB-CD1 4.24Å; F247-L266 HydrophobicContact CD1-CD1 3.88Å; F247-L266 HydrophobicContact CE1-CD1 4.42Å; F247-L266 HydrophobicContact CG-CD1 4.05Å; Y262-L266 WeakPolarHBondContact O-CG 3.37Å; Y262-L266 PolarHBondContact O-N 2.74Å; Y262-L266 VanDerWaalsContact O-N 3.1Å; L263-L266 PolarHBondContact O-N 3.01Å; L263-L266 VanDerWaalsContact O-N 3.07Å; G264-L266 PolarHBondContact O-N 2.95Å; L266-A269 PolarHBondContact O-N 3.47Å; L266-G270 PolarHBondContact O-N 3.42Å; L266-D271 PolarHBondContact O-N 2.89Å; L266-I275 HydrophobicContact CB-CD1 3.68Å; L266-I275 HydrophobicContact CB-CG1 3.62Å; L266-I275 HydrophobicContact CD1-CG1 4.02Å; L266-I275 HydrophobicContact CG-CG1 4.38Å
267V92.9Very high92.6Very high27 Ų2743.5 Ų43.516%0.16423%0.231CC..Hα-helixtrans-64.9-44.4174.91700000110.6L263 G264 A269 G270 I275 F310 R314L263-V267 HydrophobicContact CD1-CG2 4.06Å; L263-V267 HydrophobicContact CG-CG2 4.15Å; L263-V267 WeakPolarHBondContact O-CG2 3.16Å; L263-V267 PolarHBondContact O-N 3.41Å; G264-V267 PolarHBondContact O-N 3.46Å; V267-A269 VanDerWaalsContact C-N 3.28Å; V267-A269 PolarHBondContact O-N 3.28Å; V267-G270 WeakPolarHBondContact O-CA 3.44Å; V267-G270 PolarHBondContact O-N 3.47Å; V267-I275 HydrophobicContact CG2-CD1 4.22Å; V267-F310 HydrophobicContact CB-CE1 4.33Å; V267-F310 HydrophobicContact CB-CZ 4.26Å; V267-F310 HydrophobicContact CG1-CD1 4.29Å; V267-F310 HydrophobicContact CG1-CE1 3.96Å; V267-F310 HydrophobicContact CG1-CZ 4.26Å; V267-F310 HydrophobicContact CG2-CE1 3.86Å; V267-F310 HydrophobicContact CG2-CZ 3.91Å; V267-R314 HydrophobicContact CG1-CB 4.3Å; V267-R314 HydrophobicContact CG2-CB 4.34Å
268E88.4Confident92.5Very high136 Ų13640.9 Ų40.964%0.63621%0.211SC*.Hα-helixtrans-64.3-31.6176-72.2-59.413200112.8G264 R265 G270G264-E268 WeakPolarHBondContact O-CG 3.48Å; G264-E268 PolarHBondContact O-N 3.39Å; R265-E268 PolarHBondContact O-N 2.79Å; E268-G270 PolarHBondContact O-N 3.14Å
269A83.7Confident92.5Very high8 Ų839.8 Ų39.87%0.06620%0.202CC..THydrogen-bonded Turntrans-71.8-14.2171.700000113.4L231 R265 L266 V267 D271L231-A269 HydrophobicContact CD2-CB 3.78Å; L231-A269 HydrophobicContact CG-CB 4.07Å; R265-A269 PolarHBondContact O-N 2.77Å; R265-A269 VanDerWaalsContact O-N 3.1Å; L266-A269 PolarHBondContact O-N 3.47Å; V267-A269 VanDerWaalsContact C-N 3.28Å; V267-A269 PolarHBondContact O-N 3.28Å; A269-D271 VanDerWaalsContact C-N 3.3Å; A269-D271 PolarHBondContact O-N 3.31Å
270G83Confident92.4Very high35 Ų3542.8 Ų42.836%0.36122%0.216SC..THydrogen-bonded Turntrans73.813178.800000115L266 V267 E268 L272L266-G270 PolarHBondContact O-N 3.42Å; V267-G270 WeakPolarHBondContact O-CA 3.44Å; V267-G270 PolarHBondContact O-N 3.47Å; E268-G270 PolarHBondContact O-N 3.14Å; G270-L272 PolarHBondContact O-N 2.92Å; G270-L272 VanDerWaalsContact O-N 3.12Å
271D80.8Confident92.4Very high9 Ų942.9 Ų42.95%0.04822%0.22CC..  trans-90.569.8-176.3-152.8-44.4000113.3R228 L266 A269 P273 I274 I275R228-D271 IonicContact NH1-OD2 3.9Å; R228-D271 PolarHBondContact NH1-OD2 2.99Å; L266-D271 PolarHBondContact O-N 2.89Å; A269-D271 VanDerWaalsContact C-N 3.3Å; A269-D271 PolarHBondContact O-N 3.31Å; D271-P273 WeakPolarHBondContact OD1-CD 3.36Å; D271-I274 HydrophobicContact CB-CB 4.24Å; D271-I274 HydrophobicContact CB-CD1 4.42Å; D271-I274 VanDerWaalsContact CG-CD1 3.46Å; D271-I274 PolarHBondContact O-N 2.93Å; D271-I274 VanDerWaalsContact OD1-CB 3.24Å; D271-I274 WeakPolarHBondContact OD1-CB 3.21Å; D271-I274 WeakPolarHBondContact OD1-CG1 3.37Å; D271-I274 PolarHBondContact OD1-N 3.43Å; D271-I274 VanDerWaalsContact OD2-CD1 3.22Å; D271-I274 WeakPolarHBondContact OD2-CD1 3.29Å; D271-I275 WeakPolarHBondContact O-CD1 3.41Å; D271-I275 WeakPolarHBondContact O-CG1 3.21Å; D271-I275 PolarHBondContact O-N 3.07Å
272L89.4Confident92.4Very high20 Ų2038.2 Ų38.211%0.10520%0.198CC..Hα-helixtrans-57.5-46.4176.6-179.761.5000113.1G270 I274 I275 C276 A305 F310 A313 L317G270-L272 PolarHBondContact O-N 2.92Å; G270-L272 VanDerWaalsContact O-N 3.12Å; L272-I274 VanDerWaalsContact C-N 3.31Å; L272-I274 PolarHBondContact O-N 3.25Å; L272-I275 PolarHBondContact O-N 2.91Å; L272-C276 VanDerWaalsContact CD1-SG 3.58Å; L272-C276 WeakPolarHBondContact O-CB 3.38Å; L272-C276 PolarHBondContact O-N 3.16Å; L272-C276 PolarHBondContact O-SG 3.15Å; L272-C276 VanDerWaalsContact O-SG 3.39Å; L272-A305 HydrophobicContact CD1-CB 4.17Å; L272-F310 HydrophobicContact CB-CD2 4.2Å; L272-F310 HydrophobicContact CB-CE2 3.67Å; L272-F310 HydrophobicContact CB-CZ 4.03Å; L272-F310 HydrophobicContact CD1-CE1 4.3Å; L272-F310 HydrophobicContact CD1-CZ 4.03Å; L272-A313 HydrophobicContact CD1-CB 3.94Å; L272-A313 HydrophobicContact CD2-CB 4.11Å; L272-L317 HydrophobicContact CD1-CD1 3.63Å
273P87Confident92.4Very high56 Ų5635.3 Ų35.336%0.36419%0.187SC..Hα-helixtrans-60.1-36-179.9-25.936.3000114.1D271 R277D271-P273 WeakPolarHBondContact OD1-CD 3.36Å; P273-R277 WeakPolarHBondContact O-CB 3.38Å; P273-R277 VanDerWaalsContact O-CG 3.24Å; P273-R277 WeakPolarHBondContact O-CG 3.38Å; P273-R277 PolarHBondContact O-N 3.1Å; P273-R277 VanDerWaalsContact O-N 3.08Å; P273-R277 PolarHBondContact O-NE 3.1Å
274I87.1Confident92.5Very high22 Ų2241.7 Ų41.711%0.11321%0.211CC..Hα-helixtrans-68.2-45.6175.4-74.3179.5000111.1H240 I244 D271 L272 C276 R277 R278H240-I274 VanDerWaalsContact NE2-CD1 3.26Å; H240-I274 WeakPolarHBondContact NE2-CD1 3.31Å; I244-I274 HydrophobicContact CD1-CG2 3.49Å; I244-I274 VanDerWaalsContact CD1-CG2 3.49Å; I244-I274 HydrophobicContact CG1-CG2 3.87Å; D271-I274 HydrophobicContact CB-CB 4.24Å; D271-I274 HydrophobicContact CB-CD1 4.42Å; D271-I274 VanDerWaalsContact CG-CD1 3.46Å; D271-I274 PolarHBondContact O-N 2.93Å; D271-I274 VanDerWaalsContact OD1-CB 3.24Å; D271-I274 WeakPolarHBondContact OD1-CB 3.21Å; D271-I274 WeakPolarHBondContact OD1-CG1 3.37Å; D271-I274 PolarHBondContact OD1-N 3.43Å; D271-I274 VanDerWaalsContact OD2-CD1 3.22Å; D271-I274 WeakPolarHBondContact OD2-CD1 3.29Å; L272-I274 VanDerWaalsContact C-N 3.31Å; L272-I274 PolarHBondContact O-N 3.25Å; I274-C276 PolarHBondContact O-N 3.42Å; I274-R277 PolarHBondContact O-N 3.28Å; I274-R278 VanDerWaalsContact O-CB 3.29Å; I274-R278 WeakPolarHBondContact O-CB 3.49Å; I274-R278 PolarHBondContact O-N 2.77Å
275I95Very high92.6Very high0 Ų042.1 Ų42.10%020%0.204CC..Hα-helixtrans-57.4-50.4177-64.8160.3000110.3L263 L266 V267 D271 L272 R278 L279 F310 L317L263-I275 HydrophobicContact CD1-CD1 4.19Å; L263-I275 HydrophobicContact CD1-CG1 4.37Å; L263-I275 HydrophobicContact CD1-CG2 3.75Å; L266-I275 HydrophobicContact CB-CD1 3.68Å; L266-I275 HydrophobicContact CB-CG1 3.62Å; L266-I275 HydrophobicContact CD1-CG1 4.02Å; L266-I275 HydrophobicContact CG-CG1 4.38Å; V267-I275 HydrophobicContact CG2-CD1 4.22Å; D271-I275 WeakPolarHBondContact O-CD1 3.41Å; D271-I275 WeakPolarHBondContact O-CG1 3.21Å; D271-I275 PolarHBondContact O-N 3.07Å; L272-I275 PolarHBondContact O-N 2.91Å; I275-R278 PolarHBondContact O-N 3.23Å; I275-L279 HydrophobicContact CG2-CD1 3.83Å; I275-L279 HydrophobicContact CG2-CG 4.44Å; I275-L279 WeakPolarHBondContact O-CB 3.47Å; I275-L279 PolarHBondContact O-N 3Å; I275-F310 HydrophobicContact CD1-CZ 3.8Å; I275-L317 HydrophobicContact CG2-CD1 3.84Å; I275-L317 HydrophobicContact CG2-CD2 4.01Å; I275-L317 HydrophobicContact CG2-CG 4.4Å
276C96.7Very high92.9Very high0 Ų039.1 Ų39.10%019%0.194CC..Hα-helixtrans-59.6-49.9-178.7-74.80000112.3L272 I274 R278 L279 M280 V302L272-C276 VanDerWaalsContact CD1-SG 3.58Å; L272-C276 WeakPolarHBondContact O-CB 3.38Å; L272-C276 PolarHBondContact O-N 3.16Å; L272-C276 PolarHBondContact O-SG 3.15Å; L272-C276 VanDerWaalsContact O-SG 3.39Å; I274-C276 PolarHBondContact O-N 3.42Å; C276-R278 VanDerWaalsContact C-N 3.32Å; C276-R278 PolarHBondContact O-N 3.08Å; C276-L279 PolarHBondContact O-N 3.3Å; C276-M280 WeakPolarHBondContact O-CG 3.48Å; C276-M280 PolarHBondContact O-N 2.82Å; C276-M280 VanDerWaalsContact O-N 3.14Å; C276-V302 HydrophobicContact CB-CG1 3.63Å; C276-V302 HydrophobicContact CB-CG2 4.31Å
277R94.5Very high93.2Very high111 Ų11139.1 Ų39.142%0.41919%0.194SC..Hα-helixtrans-59.8-43.6177.5-74-177-65.9176.96.2111.5N190 P273 I274 V281N190-R277 PolarHBondContact ND2-NH2 2.84Å; N190-R277 PolarHBondContact OD1-NH2 3.48Å; P273-R277 WeakPolarHBondContact O-CB 3.38Å; P273-R277 VanDerWaalsContact O-CG 3.24Å; P273-R277 WeakPolarHBondContact O-CG 3.38Å; P273-R277 PolarHBondContact O-N 3.1Å; P273-R277 VanDerWaalsContact O-N 3.08Å; P273-R277 PolarHBondContact O-NE 3.1Å; I274-R277 PolarHBondContact O-N 3.28Å; R277-V281 WeakPolarHBondContact O-CG2 3.48Å; R277-V281 PolarHBondContact O-N 3.17Å
278R95.9Very high93.3Very high77 Ų7738.4 Ų38.429%0.29119%0.192SC..Hα-helixtrans-65.8-44.7-179-176.456.860.1-174.3-2.9111.9I244 F247 I274 I275 C276 M280 V281 I282I244-R278 HydrophobicContact CG2-CG 4.08Å; I244-R278 VanDerWaalsContact CG2-NE 3.27Å; F247-R278 HydrophobicContact CD1-CG 4.09Å; F247-R278 HydrophobicContact CE1-CG 4.25Å; I274-R278 VanDerWaalsContact O-CB 3.29Å; I274-R278 WeakPolarHBondContact O-CB 3.49Å; I274-R278 PolarHBondContact O-N 2.77Å; I275-R278 PolarHBondContact O-N 3.23Å; C276-R278 VanDerWaalsContact C-N 3.32Å; C276-R278 PolarHBondContact O-N 3.08Å; R278-M280 PolarHBondContact O-N 3.02Å; R278-V281 PolarHBondContact O-N 3.35Å; R278-I282 HydrophobicContact CG-CD1 3.73Å; R278-I282 HydrophobicContact CG-CG1 4.34Å; R278-I282 VanDerWaalsContact O-CG1 3.27Å; R278-I282 WeakPolarHBondContact O-CG1 3.43Å; R278-I282 PolarHBondContact O-N 3.05Å
279L98.3Very high93.8Very high0 Ų033.9 Ų33.90%017%0.172CC..Hα-helixtrans-62-41.8178.6-81.3171.8000112.7F247 I251 I275 C276 V281 I282 G283 T298 V302 L317 V321 L324F247-L279 HydrophobicContact CE1-CD2 4.24Å; F247-L279 HydrophobicContact CE1-CG 4.24Å; F247-L279 HydrophobicContact CZ-CD2 3.86Å; F247-L279 HydrophobicContact CZ-CG 4.17Å; I251-L279 HydrophobicContact CD1-CD2 4.11Å; I275-L279 HydrophobicContact CG2-CD1 3.83Å; I275-L279 HydrophobicContact CG2-CG 4.44Å; I275-L279 WeakPolarHBondContact O-CB 3.47Å; I275-L279 PolarHBondContact O-N 3Å; C276-L279 PolarHBondContact O-N 3.3Å; L279-V281 VanDerWaalsContact C-N 3.31Å; L279-V281 PolarHBondContact O-N 2.91Å; L279-I282 PolarHBondContact O-N 3.19Å; L279-G283 PolarHBondContact O-N 2.71Å; L279-T298 HydrophobicContact CB-CG2 3.91Å; L279-T298 WeakPolarHBondContact O-CG2 3.45Å; L279-V302 HydrophobicContact CB-CG2 4.11Å; L279-L317 HydrophobicContact CD1-CD2 3.55Å; L279-V321 HydrophobicContact CD2-CG2 3.84Å; L279-L324 HydrophobicContact CD2-CD1 3.72Å
280M97.7Very high94.5Very high62 Ų6233.7 Ų33.731%0.30517%0.17SC..Hα-helixtrans-59.4-43.2175.4-72-172.5-72.200111.7C276 R278 Y284 V299 V302C276-M280 WeakPolarHBondContact O-CG 3.48Å; C276-M280 PolarHBondContact O-N 2.82Å; C276-M280 VanDerWaalsContact O-N 3.14Å; R278-M280 PolarHBondContact O-N 3.02Å; M280-Y284 WeakPolarHBondContact O-CD2 3.11Å; M280-V299 HydrophobicContact CG-CG2 4.45Å; M280-V302 HydrophobicContact CE-CG1 4.13Å; M280-V302 HydrophobicContact CG-CB 4.32Å; M280-V302 HydrophobicContact CG-CG1 4.13Å; M280-V302 HydrophobicContact CG-CG2 4.08Å; M280-V302 HydrophobicContact SD-CG1 4Å
281V97.6Very high95.2Very high65 Ų6533.7 Ų33.739%0.39416%0.162SC..Hα-helixtrans-62.2-51.5175.51730000110.7R277 R278 L279 G283 Y284 E285R277-V281 WeakPolarHBondContact O-CG2 3.48Å; R277-V281 PolarHBondContact O-N 3.17Å; R278-V281 PolarHBondContact O-N 3.35Å; L279-V281 VanDerWaalsContact C-N 3.31Å; L279-V281 PolarHBondContact O-N 2.91Å; V281-G283 VanDerWaalsContact C-N 3.26Å; V281-G283 PolarHBondContact O-N 3.42Å; V281-Y284 PolarHBondContact O-N 3.43Å; V281-E285 HydrophobicContact CG1-CB 4.18Å; V281-E285 WeakPolarHBondContact CG1-OE2 3.12Å; V281-E285 VanDerWaalsContact O-CB 3.24Å; V281-E285 WeakPolarHBondContact O-CB 3.47Å; V281-E285 PolarHBondContact O-N 3.21Å
282I98.2Very high96Very high0 Ų035.4 Ų35.40%017%0.174CC..Hα-helixtrans-55.9-41.1-179.3-69.6171.6000111.8F247 Q248 I251 R278 L279 Y284 E285 D286 I287 L324F247-I282 HydrophobicContact CE1-CD1 4.41Å; Q248-I282 HydrophobicContact CB-CD1 3.89Å; Q248-I282 HydrophobicContact CB-CG1 4.4Å; Q248-I282 HydrophobicContact CG-CD1 3.97Å; Q248-I282 HydrophobicContact CG-CG1 3.92Å; I251-I282 HydrophobicContact CB-CG2 4.15Å; I251-I282 HydrophobicContact CD1-CD1 3.69Å; I251-I282 HydrophobicContact CD1-CG2 4.34Å; I251-I282 HydrophobicContact CG2-CG2 3.53Å; R278-I282 HydrophobicContact CG-CD1 3.73Å; R278-I282 HydrophobicContact CG-CG1 4.34Å; R278-I282 VanDerWaalsContact O-CG1 3.27Å; R278-I282 WeakPolarHBondContact O-CG1 3.43Å; R278-I282 PolarHBondContact O-N 3.05Å; L279-I282 PolarHBondContact O-N 3.19Å; I282-Y284 PolarHBondContact O-N 3.17Å; I282-E285 PolarHBondContact O-N 3.18Å; I282-D286 HydrophobicContact CG2-CB 4.21Å; I282-D286 PolarHBondContact O-N 3.12Å; I282-I287 HydrophobicContact CG2-CD1 4.27Å; I282-I287 PolarHBondContact O-N 3.35Å; I282-L324 HydrophobicContact CG2-CD1 4.09Å
283G98Very high96.4Very high0 Ų036.8 Ų36.80%019%0.188CC..Iπ-helixtrans-55-35.8177.900000113.4L279 V281 I287 G288 A295L279-G283 PolarHBondContact O-N 2.71Å; V281-G283 VanDerWaalsContact C-N 3.26Å; V281-G283 PolarHBondContact O-N 3.42Å; G283-I287 WeakPolarHBondContact O-CB 3.45Å; G283-G288 PolarHBondContact O-N 2.96Å; G283-A295 VanDerWaalsContact O-CB 3.29Å; G283-A295 WeakPolarHBondContact O-CB 3.24Å
284Y97.9Very high96.9Very high141 Ų14134.1 Ų34.155%0.55317%0.17SC*.Iπ-helixtrans-98.4-31.3178.8-68.9-75.7000114M280 V281 I282 G288 A295 V299M280-Y284 WeakPolarHBondContact O-CD2 3.11Å; V281-Y284 PolarHBondContact O-N 3.43Å; I282-Y284 PolarHBondContact O-N 3.17Å; Y284-G288 WeakPolarHBondContact O-CA 3.45Å; Y284-A295 HydrophobicContact CD1-CB 4.25Å; Y284-A295 HydrophobicContact CE1-CB 4.05Å; Y284-V299 HydrophobicContact CE2-CG2 4.27Å
285E98.1Very high97.4Very high42 Ų4233.1 Ų33.120%0.19617%0.165CC..Iπ-helixtrans-76.2-47.3-177.3-169.6-167.410600112Q248 R252 V281 I282 Y334Q248-E285 PolarHBondContact NE2-OE1 2.9Å; Q248-E285 PolarHBondContact NE2-OE2 3.32Å; R252-E285 IonicContact CZ-OE1 3.69Å; R252-E285 IonicContact NH2-OE1 3.96Å; R252-E285 PolarHBondContact NH2-OE1 3.04Å; V281-E285 HydrophobicContact CG1-CB 4.18Å; V281-E285 WeakPolarHBondContact CG1-OE2 3.12Å; V281-E285 VanDerWaalsContact O-CB 3.24Å; V281-E285 WeakPolarHBondContact O-CB 3.47Å; V281-E285 PolarHBondContact O-N 3.21Å; I282-E285 PolarHBondContact O-N 3.18Å; E285-Y334 HydrophobicContact CB-CE1 4.36Å; E285-Y334 HydrophobicContact CG-CD1 4.12Å; E285-Y334 HydrophobicContact CG-CE1 3.5Å; E285-Y334 WeakPolarHBondContact O-CE1 3.4Å
286D97.9Very high97.5Very high10 Ų1035.2 Ų35.25%0.05318%0.183CC..Iπ-helixtrans-100.9-30.6-170.9-66.8-52.1000112.8R252 I282 K329 S330R252-D286 HydrophobicContact CB-CB 4.49Å; R252-D286 WeakPolarHBondContact CD-OD1 3.26Å; R252-D286 WeakPolarHBondContact CG-OD1 3.38Å; R252-D286 IonicContact CZ-OD1 3.25Å; R252-D286 IonicContact NE-OD1 2.76Å; R252-D286 PolarHBondContact NE-OD1 2.91Å; R252-D286 IonicContact NE-OD2 2.77Å; R252-D286 IonicContact NH2-OD1 2.73Å; R252-D286 PolarHBondContact NH2-OD1 3.17Å; R252-D286 IonicContact NH2-OD2 3.08Å; I282-D286 HydrophobicContact CG2-CB 4.21Å; I282-D286 PolarHBondContact O-N 3.12Å; D286-K329 CarbonylContact O-C 3.57Å; D286-K329 WeakPolarHBondContact O-CA 3.5Å; D286-K329 WeakPolarHBondContact O-CB 3.39Å; D286-K329 WeakPolarHBondContact O-CD 3.47Å; D286-S330 PolarHBondContact O-N 2.85Å
287I98.3Very high97.6Very high0 Ų040.2 Ų40.20%020%0.202CC..Iπ-helixtrans-100.8-58.5-179.3-7367.9000109.9I251 I282 G283 L289 A290 N291 A294 L324 K329 S330I251-I287 HydrophobicContact CG2-CD1 4.49Å; I282-I287 HydrophobicContact CG2-CD1 4.27Å; I282-I287 PolarHBondContact O-N 3.35Å; G283-I287 WeakPolarHBondContact O-CB 3.45Å; I287-L289 PolarHBondContact O-N 3.41Å; I287-A290 WeakPolarHBondContact O-CB 3.35Å; I287-A290 PolarHBondContact O-N 2.99Å; I287-N291 HydrophobicContact CG2-CB 3.72Å; I287-N291 WeakPolarHBondContact CG2-O 3.32Å; I287-A294 HydrophobicContact CG2-CB 4.33Å; I287-L324 HydrophobicContact CB-CD2 4.32Å; I287-L324 HydrophobicContact CD1-CB 4.06Å; I287-L324 HydrophobicContact CD1-CD2 3.7Å; I287-L324 HydrophobicContact CD1-CG 4.45Å; I287-L324 HydrophobicContact CG1-CD2 3.72Å; I287-K329 HydrophobicContact CD1-CD 4.1Å; I287-K329 HydrophobicContact CG1-CD 4.43Å; I287-S330 CarbonylContact C-O 3.58Å; I287-S330 PolarHBondContact O-N 3.2Å
288G96.2Very high97.8Very high12 Ų1234.9 Ų34.912%0.12418%0.182CC..G310 helixtrans51.1-127.1171.100000113.8G283 Y284 A290 N291G283-G288 PolarHBondContact O-N 2.96Å; Y284-G288 WeakPolarHBondContact O-CA 3.45Å; G288-A290 PolarHBondContact O-N 3.02Å; G288-N291 CarbonylContact O-C 3.14Å; G288-N291 PolarHBondContact O-N 3.45Å
289L98Very high97.9Very high41 Ų4132.9 Ų32.922%0.21518%0.178CC..G310 helixtrans-70.3-15.2-177.8-64.8179.2000113.8I287 N291 A333 Y399 Y407 E408 L411I287-L289 PolarHBondContact O-N 3.41Å; L289-N291 VanDerWaalsContact C-N 3.34Å; L289-A333 HydrophobicContact CD1-CB 4.08Å; L289-A333 HydrophobicContact CG-CB 4.27Å; L289-Y399 HydrophobicContact CD1-CE2 3.85Å; L289-Y399 WeakPolarHBondContact CD1-OH 3.1Å; L289-Y407 HydrophobicContact CD2-CE1 4.23Å; L289-Y407 VanDerWaalsContact O-CD1 3.28Å; L289-Y407 WeakPolarHBondContact O-CD1 3.44Å; L289-E408 HydrophobicContact CB-CB 4.17Å; L289-E408 HydrophobicContact CB-CG 3.95Å; L289-E408 PolarHBondContact O-N 3.35Å; L289-L411 HydrophobicContact CB-CD1 4.49Å; L289-L411 HydrophobicContact CD1-CD1 3.96Å; L289-L411 HydrophobicContact CD2-CD1 3.94Å; L289-L411 HydrophobicContact CG-CD1 4.36Å
290A97.9Very high98Very high4 Ų438.7 Ų38.73%0.03321%0.205CC..G310 helixtrans-69.9-33.6178.200000112I287 G288 P328I287-A290 WeakPolarHBondContact O-CB 3.35Å; I287-A290 PolarHBondContact O-N 2.99Å; G288-A290 PolarHBondContact O-N 3.02Å; A290-P328 HydrophobicContact CB-CB 3.9Å; A290-P328 HydrophobicContact CB-CG 3.89Å; A290-P328 VanDerWaalsContact CB-O 3.27Å; A290-P328 WeakPolarHBondContact CB-O 3.19Å; A290-P328 WeakPolarHBondContact O-CG 3.41Å
291N98.1Very high98Very high36 Ų3636.5 Ų36.519%0.19320%0.197CC..  trans-150.577.6173.5-172.22.6000112.3I287 G288 L289 A293 A294 A295 S327 P328I287-N291 HydrophobicContact CG2-CB 3.72Å; I287-N291 WeakPolarHBondContact CG2-O 3.32Å; G288-N291 CarbonylContact O-C 3.14Å; G288-N291 PolarHBondContact O-N 3.45Å; L289-N291 VanDerWaalsContact C-N 3.34Å; N291-A293 PolarHBondContact O-N 2.96Å; N291-A293 VanDerWaalsContact O-N 3.11Å; N291-A294 HydrophobicContact CB-CB 4.2Å; N291-A294 VanDerWaalsContact ND2-CB 3.34Å; N291-A294 WeakPolarHBondContact ND2-CB 3.48Å; N291-A294 PolarHBondContact O-N 2.97Å; N291-A294 PolarHBondContact OD1-N 2.98Å; N291-A295 PolarHBondContact O-N 3.11Å; N291-S327 PolarHBondContact ND2-OG 3.49Å; N291-P328 HydrophobicContact CB-CG 4.08Å
292P97.6Very high98Very high45 Ų4533.4 Ų33.429%0.29218%0.178SC..Hα-helixtrans-59.3-27.7-178.5-2433.2000113.8A295 A296 Y407P292-A295 PolarHBondContact O-N 3.23Å; P292-A296 PolarHBondContact O-N 3.14Å; P292-Y407 HydrophobicContact CG-CD1 3.47Å; P292-Y407 VanDerWaalsContact CG-CD1 3.47Å; P292-Y407 HydrophobicContact CG-CD2 4.29Å; P292-Y407 HydrophobicContact CG-CE1 3.58Å; P292-Y407 HydrophobicContact CG-CE2 4.4Å; P292-Y407 HydrophobicContact CG-CG 3.84Å
293A98.1Very high98Very high48 Ų4838.1 Ų38.140%0.39720%0.2SC..Hα-helixtrans-67.9-36177.800000112.1N291 A296 R297N291-A293 PolarHBondContact O-N 2.96Å; N291-A293 VanDerWaalsContact O-N 3.11Å; A293-A296 PolarHBondContact O-N 3.41Å; A293-R297 WeakPolarHBondContact O-CG 3.48Å; A293-R297 PolarHBondContact O-N 2.95Å
294A98.2Very high98.1Very high0 Ų040 Ų400%022%0.215CC..Hα-helixtrans-67.8-38.6174.200000111.9I287 N291 A296 R297 T298 L324 S327I287-A294 HydrophobicContact CG2-CB 4.33Å; N291-A294 HydrophobicContact CB-CB 4.2Å; N291-A294 VanDerWaalsContact ND2-CB 3.34Å; N291-A294 WeakPolarHBondContact ND2-CB 3.48Å; N291-A294 PolarHBondContact O-N 2.97Å; N291-A294 PolarHBondContact OD1-N 2.98Å; A294-A296 VanDerWaalsContact C-N 3.34Å; A294-A296 PolarHBondContact O-N 2.91Å; A294-R297 PolarHBondContact O-N 3.13Å; A294-T298 WeakPolarHBondContact O-CB 3.23Å; A294-T298 PolarHBondContact O-N 3.42Å; A294-T298 PolarHBondContact O-OG1 3.14Å; A294-L324 HydrophobicContact CB-CD2 4.48Å; A294-S327 WeakPolarHBondContact CB-OG 3.41Å
295A96.7Very high98.1Very high1 Ų133.3 Ų33.31%0.00819%0.189CC..Hα-helixtrans-59.6-45.4172.400000111.3G283 Y284 N291 P292 T298 V299G283-A295 VanDerWaalsContact O-CB 3.29Å; G283-A295 WeakPolarHBondContact O-CB 3.24Å; Y284-A295 HydrophobicContact CD1-CB 4.25Å; Y284-A295 HydrophobicContact CE1-CB 4.05Å; N291-A295 PolarHBondContact O-N 3.11Å; P292-A295 PolarHBondContact O-N 3.23Å; A295-T298 WeakPolarHBondContact O-CB 3.09Å; A295-T298 PolarHBondContact O-N 2.78Å; A295-V299 PolarHBondContact O-N 2.85Å; A295-V299 VanDerWaalsContact O-N 3.16Å
296A98.1Very high98Very high45 Ų4536.6 Ų36.637%0.37221%0.205SC..Hα-helixtrans-64.2-44.2177.100000113P292 A293 A294 T298 V299 Q300P292-A296 PolarHBondContact O-N 3.14Å; A293-A296 PolarHBondContact O-N 3.41Å; A294-A296 VanDerWaalsContact C-N 3.34Å; A294-A296 PolarHBondContact O-N 2.91Å; A296-T298 VanDerWaalsContact C-N 3.27Å; A296-T298 PolarHBondContact O-N 3.26Å; A296-V299 PolarHBondContact O-N 3.41Å; A296-Q300 WeakPolarHBondContact O-CG 3.34Å; A296-Q300 PolarHBondContact O-N 3.39Å; A296-Q300 VanDerWaalsContact O-N 3.14Å
297R98.5Very high98Very high104 Ų10444.7 Ų44.739%0.39224%0.239SC..Hα-helixtrans-62.7-34.6174.8-75.4-168.7-59.2-92.66.3112.2A293 A294 Q300 A301 D323A293-R297 WeakPolarHBondContact O-CG 3.48Å; A293-R297 PolarHBondContact O-N 2.95Å; A294-R297 PolarHBondContact O-N 3.13Å; R297-Q300 WeakPolarHBondContact O-CB 3.46Å; R297-Q300 PolarHBondContact O-N 3.4Å; R297-A301 WeakPolarHBondContact O-CB 3.47Å; R297-A301 PolarHBondContact O-N 3.39Å; R297-D323 IonicContact CZ-OD2 2.63Å; R297-D323 IonicContact NE-OD2 3.39Å; R297-D323 PolarHBondContact NE-OD2 2.83Å; R297-D323 VanDerWaalsContact NH2-CG 3.28Å; R297-D323 IonicContact NH2-OD1 3.91Å; R297-D323 PolarHBondContact NH2-OD1 3.38Å; R297-D323 IonicContact NH2-OD2 3.8Å; R297-D323 PolarHBondContact NH2-OD2 2.71Å
298T98.7Very high97.9Very high0 Ų049.1 Ų49.10%026%0.263CS..Hα-helixtrans-62.2-44174.7-60.90000111.3L279 A294 A295 A296 Q300 A301 V302 L324L279-T298 HydrophobicContact CB-CG2 3.91Å; L279-T298 WeakPolarHBondContact O-CG2 3.45Å; A294-T298 WeakPolarHBondContact O-CB 3.23Å; A294-T298 PolarHBondContact O-N 3.42Å; A294-T298 PolarHBondContact O-OG1 3.14Å; A295-T298 WeakPolarHBondContact O-CB 3.09Å; A295-T298 PolarHBondContact O-N 2.78Å; A296-T298 VanDerWaalsContact C-N 3.27Å; A296-T298 PolarHBondContact O-N 3.26Å; T298-Q300 VanDerWaalsContact C-N 3.3Å; T298-Q300 PolarHBondContact O-N 2.75Å; T298-A301 PolarHBondContact O-N 3.03Å; T298-V302 WeakPolarHBondContact O-CB 3.42Å; T298-V302 WeakPolarHBondContact O-CG2 3.3Å; T298-V302 PolarHBondContact O-N 2.91Å; T298-L324 HydrophobicContact CG2-CD1 3.94Å; T298-L324 WeakPolarHBondContact OG1-CD2 3.48Å; T298-L324 WeakPolarHBondContact OG1-CG 3.36Å
299V98.4Very high97.8Very high35 Ų3549.6 Ų49.621%0.21227%0.267CS..Hα-helixtrans-60.8-41.3174.8175.50000111.1M280 Y284 A295 A296 V302 Q303M280-V299 HydrophobicContact CG-CG2 4.45Å; Y284-V299 HydrophobicContact CE2-CG2 4.27Å; A295-V299 PolarHBondContact O-N 2.85Å; A295-V299 VanDerWaalsContact O-N 3.16Å; A296-V299 PolarHBondContact O-N 3.41Å; V299-V302 PolarHBondContact O-N 2.89Å; V299-Q303 VanDerWaalsContact O-CG 3.31Å; V299-Q303 WeakPolarHBondContact O-CG 3.09Å; V299-Q303 PolarHBondContact O-N 3.46Å
300Q98.6Very high97.5Very high122 Ų12250.7 Ų50.757%0.5727%0.27SS*.Hα-helixtrans-64.6-42.9176.3-67.1171.4-12.100112.2A296 R297 T298 V302 Q303 A304A296-Q300 WeakPolarHBondContact O-CG 3.34Å; A296-Q300 PolarHBondContact O-N 3.39Å; A296-Q300 VanDerWaalsContact O-N 3.14Å; R297-Q300 WeakPolarHBondContact O-CB 3.46Å; R297-Q300 PolarHBondContact O-N 3.4Å; T298-Q300 VanDerWaalsContact C-N 3.3Å; T298-Q300 PolarHBondContact O-N 2.75Å; Q300-V302 VanDerWaalsContact C-N 3.34Å; Q300-Q303 PolarHBondContact O-N 2.77Å; Q300-A304 WeakPolarHBondContact O-CB 3.47Å; Q300-A304 PolarHBondContact O-N 3Å
301A98.7Very high97.3Very high15 Ų1554 Ų5412%0.12429%0.292CS..Hα-helixtrans-62.7-41.4175.900000111.7R297 T298 A304 A305 P316 A320R297-A301 WeakPolarHBondContact O-CB 3.47Å; R297-A301 PolarHBondContact O-N 3.39Å; T298-A301 PolarHBondContact O-N 3.03Å; A301-A304 PolarHBondContact O-N 3.34Å; A301-A305 VanDerWaalsContact O-CB 3.3Å; A301-A305 WeakPolarHBondContact O-CB 3.3Å; A301-A305 PolarHBondContact O-N 3.32Å; A301-P316 HydrophobicContact CB-CB 4.17Å; A301-A320 HydrophobicContact CB-CB 3.78Å
302V98.4Very high97.3Very high1 Ų156.7 Ų56.71%0.00630%0.303CS..Hα-helixtrans-61.8-47.1174.3162.80000111.3C276 L279 M280 T298 V299 Q300 A304 A305 E306C276-V302 HydrophobicContact CB-CG1 3.63Å; C276-V302 HydrophobicContact CB-CG2 4.31Å; L279-V302 HydrophobicContact CB-CG2 4.11Å; M280-V302 HydrophobicContact CE-CG1 4.13Å; M280-V302 HydrophobicContact CG-CB 4.32Å; M280-V302 HydrophobicContact CG-CG1 4.13Å; M280-V302 HydrophobicContact CG-CG2 4.08Å; M280-V302 HydrophobicContact SD-CG1 4Å; T298-V302 WeakPolarHBondContact O-CB 3.42Å; T298-V302 WeakPolarHBondContact O-CG2 3.3Å; T298-V302 PolarHBondContact O-N 2.91Å; V299-V302 PolarHBondContact O-N 2.89Å; Q300-V302 VanDerWaalsContact C-N 3.34Å; V302-A304 VanDerWaalsContact C-N 3.3Å; V302-A304 PolarHBondContact O-N 3.3Å; V302-A305 WeakPolarHBondContact O-CB 3.27Å; V302-A305 PolarHBondContact O-N 2.92Å; V302-E306 HydrophobicContact CG1-CG 4.46Å; V302-E306 WeakPolarHBondContact O-CG 3.19Å; V302-E306 PolarHBondContact O-N 3.47Å
303Q98.3Very high97.4Very high99 Ų9954.6 Ų54.646%0.46329%0.289SS..Hα-helixtrans-62.3-37.7176.6-72.1173-200112.5V299 Q300 K307V299-Q303 VanDerWaalsContact O-CG 3.31Å; V299-Q303 WeakPolarHBondContact O-CG 3.09Å; V299-Q303 PolarHBondContact O-N 3.46Å; Q300-Q303 PolarHBondContact O-N 2.77Å; Q303-K307 VanDerWaalsContact O-CG 3.31Å; Q303-K307 WeakPolarHBondContact O-CG 3.34Å; Q303-K307 PolarHBondContact O-N 3.46Å
304A98.5Very high97.4Very high39 Ų3957.9 Ų57.932%0.32229%0.291SS..Hα-helixtrans-65.3-45.9173.700000110.8Q300 A301 V302 E306 K307 L308 P316Q300-A304 WeakPolarHBondContact O-CB 3.47Å; Q300-A304 PolarHBondContact O-N 3Å; A301-A304 PolarHBondContact O-N 3.34Å; V302-A304 VanDerWaalsContact C-N 3.3Å; V302-A304 PolarHBondContact O-N 3.3Å; A304-E306 PolarHBondContact O-N 2.69Å; A304-K307 PolarHBondContact O-N 2.98Å; A304-L308 WeakPolarHBondContact O-CB 3.35Å; A304-L308 WeakPolarHBondContact O-CG 3.24Å; A304-L308 PolarHBondContact O-N 2.95Å; A304-P316 HydrophobicContact CB-CB 4.32Å; A304-P316 HydrophobicContact CB-CG 4.35Å
305A98.5Very high97.4Very high0 Ų062.4 Ų62.40%031%0.314CS..Hα-helixtrans-60.1-45.7178.200000112.1L272 A301 V302 K307 L308 G309 A313 P316 L317L272-A305 HydrophobicContact CD1-CB 4.17Å; A301-A305 VanDerWaalsContact O-CB 3.3Å; A301-A305 WeakPolarHBondContact O-CB 3.3Å; A301-A305 PolarHBondContact O-N 3.32Å; V302-A305 WeakPolarHBondContact O-CB 3.27Å; V302-A305 PolarHBondContact O-N 2.92Å; A305-K307 VanDerWaalsContact C-N 3.29Å; A305-K307 PolarHBondContact O-N 3.25Å; A305-L308 PolarHBondContact O-N 3.2Å; A305-G309 PolarHBondContact O-N 3.42Å; A305-A313 HydrophobicContact CB-CB 3.91Å; A305-A313 WeakPolarHBondContact O-CB 3.33Å; A305-P316 HydrophobicContact CB-CG 4.09Å; A305-L317 HydrophobicContact CB-CD1 4.17Å; A305-L317 HydrophobicContact CB-CD2 3.71Å; A305-L317 HydrophobicContact CB-CG 3.78Å
306E96.3Very high97.5Very high111 Ų11163.3 Ų63.352%0.51932%0.32SS..Hα-helixtrans-60.9-36.6176.4-72.7178151.600112.6V302 A304V302-E306 HydrophobicContact CG1-CG 4.46Å; V302-E306 WeakPolarHBondContact O-CG 3.19Å; V302-E306 PolarHBondContact O-N 3.47Å; A304-E306 PolarHBondContact O-N 2.69Å
307K97.3Very high97.5Very high181 Ų18161.1 Ų61.179%0.78730%0.302SS*.Hα-helixtrans-75.1-35.4176.9-73.3176.8-177.8179.80113.2Q303 A304 A305Q303-K307 VanDerWaalsContact O-CG 3.31Å; Q303-K307 WeakPolarHBondContact O-CG 3.34Å; Q303-K307 PolarHBondContact O-N 3.46Å; A304-K307 PolarHBondContact O-N 2.98Å; A305-K307 VanDerWaalsContact C-N 3.29Å; A305-K307 PolarHBondContact O-N 3.25Å
308L97.5Very high97.5Very high93 Ų9357.7 Ų57.749%0.48730%0.296SS..Hα-helixtrans-77-41.6-178.8-72.5167.6000111.6A304 A305 E312 P316A304-L308 WeakPolarHBondContact O-CB 3.35Å; A304-L308 WeakPolarHBondContact O-CG 3.24Å; A304-L308 PolarHBondContact O-N 2.95Å; A305-L308 PolarHBondContact O-N 3.2Å; L308-E312 HydrophobicContact CB-CB 4.05Å; L308-E312 HydrophobicContact CD1-CB 4.43Å; L308-E312 HydrophobicContact CD2-CB 4.3Å; L308-E312 HydrophobicContact CG-CB 4.49Å; L308-P316 HydrophobicContact CD1-CG 4.08Å
309G93.5Very high97.5Very high21 Ų2163.1 Ų63.122%0.21633%0.325CS..  trans67.6174.1-168.300000112.3A305 E312 A313A305-G309 PolarHBondContact O-N 3.42Å; G309-E312 PolarHBondContact O-N 3.04Å; G309-A313 VanDerWaalsContact C-CB 3.48Å; G309-A313 WeakPolarHBondContact O-CA 3.4Å; G309-A313 WeakPolarHBondContact O-CB 3.29Å; G309-A313 PolarHBondContact O-N 3.23Å
310F91.5Very high97.5Very high65 Ų6561.8 Ų61.829%0.28532%0.318SS..THydrogen-bonded Turntrans-76.7147.6173.1-73.1-45.5000111.7V267 L272 I275 A313 R314 L317V267-F310 HydrophobicContact CB-CE1 4.33Å; V267-F310 HydrophobicContact CB-CZ 4.26Å; V267-F310 HydrophobicContact CG1-CD1 4.29Å; V267-F310 HydrophobicContact CG1-CE1 3.96Å; V267-F310 HydrophobicContact CG1-CZ 4.26Å; V267-F310 HydrophobicContact CG2-CE1 3.86Å; V267-F310 HydrophobicContact CG2-CZ 3.91Å; L272-F310 HydrophobicContact CB-CD2 4.2Å; L272-F310 HydrophobicContact CB-CE2 3.67Å; L272-F310 HydrophobicContact CB-CZ 4.03Å; L272-F310 HydrophobicContact CD1-CE1 4.3Å; L272-F310 HydrophobicContact CD1-CZ 4.03Å; I275-F310 HydrophobicContact CD1-CZ 3.8Å; F310-A313 HydrophobicContact CD1-CB 3.78Å; F310-A313 HydrophobicContact CE1-CB 3.95Å; F310-R314 HydrophobicContact CE1-CB 4.48Å; F310-L317 HydrophobicContact CE1-CD1 4.25Å
311P94.3Very high97.6Very high74 Ų7456 Ų5648%0.48129%0.29SS..THydrogen-bonded Turncis-84.8-15.96.935.4-39.5000115.3A313 R314P311-A313 VanDerWaalsContact C-N 3.32Å; P311-A313 PolarHBondContact O-N 2.94Å; P311-R314 WeakPolarHBondContact O-CD 3.32Å; P311-R314 WeakPolarHBondContact O-CG 3.35Å; P311-R314 PolarHBondContact O-N 2.8Å; P311-R314 PolarHBondContact O-NH1 3.42Å
312E98.3Very high97.6Very high92 Ų9257.6 Ų57.643%0.4330%0.299SS..THydrogen-bonded Turntrans-64.1-31.2-172.3-74.171-159.600113.7L308 G309 R314 I315 P316L308-E312 HydrophobicContact CB-CB 4.05Å; L308-E312 HydrophobicContact CD1-CB 4.43Å; L308-E312 HydrophobicContact CD2-CB 4.3Å; L308-E312 HydrophobicContact CG-CB 4.49Å; G309-E312 PolarHBondContact O-N 3.04Å; E312-R314 PolarHBondContact O-N 3.04Å; E312-I315 WeakPolarHBondContact O-CB 3.23Å; E312-I315 PolarHBondContact O-N 3.04Å; E312-P316 WeakPolarHBondContact O-CD 3.36Å
313A98.1Very high97.6Very high0 Ų059.7 Ų59.70%031%0.31CS..THydrogen-bonded Turntrans-54.2-27.9176.800000112.8L272 A305 G309 F310 P311 I315 P316 L317L272-A313 HydrophobicContact CD1-CB 3.94Å; L272-A313 HydrophobicContact CD2-CB 4.11Å; A305-A313 HydrophobicContact CB-CB 3.91Å; A305-A313 WeakPolarHBondContact O-CB 3.33Å; G309-A313 VanDerWaalsContact C-CB 3.48Å; G309-A313 WeakPolarHBondContact O-CA 3.4Å; G309-A313 WeakPolarHBondContact O-CB 3.29Å; G309-A313 PolarHBondContact O-N 3.23Å; F310-A313 HydrophobicContact CD1-CB 3.78Å; F310-A313 HydrophobicContact CE1-CB 3.95Å; P311-A313 VanDerWaalsContact C-N 3.32Å; P311-A313 PolarHBondContact O-N 2.94Å; A313-I315 PolarHBondContact O-N 3.11Å; A313-I315 VanDerWaalsContact O-N 3.12Å; A313-P316 VanDerWaalsContact O-CD 3.26Å; A313-P316 WeakPolarHBondContact O-CD 3.48Å; A313-P316 WeakPolarHBondContact O-CG 3.38Å; A313-L317 HydrophobicContact CB-CD1 4.4Å; A313-L317 WeakPolarHBondContact O-CB 3.23Å; A313-L317 VanDerWaalsContact O-CD1 3.32Å; A313-L317 WeakPolarHBondContact O-CD1 3.25Å; A313-L317 WeakPolarHBondContact O-CG 3.31Å; A313-L317 PolarHBondContact O-N 3.39Å
314R98.4Very high97.6Very high118 Ų11855 Ų5545%0.44529%0.288SS..Hα-helixtrans-58.7-26.9177.481.2-168.4-178.2-80.75.9113.2V267 F310 P311 E312 A318V267-R314 HydrophobicContact CG1-CB 4.3Å; V267-R314 HydrophobicContact CG2-CB 4.34Å; F310-R314 HydrophobicContact CE1-CB 4.48Å; P311-R314 WeakPolarHBondContact O-CD 3.32Å; P311-R314 WeakPolarHBondContact O-CG 3.35Å; P311-R314 PolarHBondContact O-N 2.8Å; P311-R314 PolarHBondContact O-NH1 3.42Å; E312-R314 PolarHBondContact O-N 3.04Å; R314-A318 VanDerWaalsContact O-CB 3.3Å; R314-A318 WeakPolarHBondContact O-CB 3.41Å; R314-A318 PolarHBondContact O-N 3.39Å
315I98.7Very high97.6Very high94 Ų9453.1 Ų53.148%0.48227%0.272SS..Hα-helixtrans-70.1-61.7-175.2-58.7169000111.1E312 A313 L317 A318 D319E312-I315 WeakPolarHBondContact O-CB 3.23Å; E312-I315 PolarHBondContact O-N 3.04Å; A313-I315 PolarHBondContact O-N 3.11Å; A313-I315 VanDerWaalsContact O-N 3.12Å; I315-L317 PolarHBondContact O-N 2.98Å; I315-A318 PolarHBondContact O-N 3.31Å; I315-D319 PolarHBondContact O-N 3.34Å
316P98.7Very high97.6Very high20 Ų2059 Ų5913%0.1330%0.304CS..Hα-helixtrans-62.6-29.917725.4-35.6000112.7A301 A304 A305 L308 E312 A313 A320A301-P316 HydrophobicContact CB-CB 4.17Å; A304-P316 HydrophobicContact CB-CB 4.32Å; A304-P316 HydrophobicContact CB-CG 4.35Å; A305-P316 HydrophobicContact CB-CG 4.09Å; L308-P316 HydrophobicContact CD1-CG 4.08Å; E312-P316 WeakPolarHBondContact O-CD 3.36Å; A313-P316 VanDerWaalsContact O-CD 3.26Å; A313-P316 WeakPolarHBondContact O-CD 3.48Å; A313-P316 WeakPolarHBondContact O-CG 3.38Å; P316-A320 WeakPolarHBondContact O-CB 3.17Å; P316-A320 PolarHBondContact O-N 3.01Å
317L98.7Very high97.7Very high0 Ų054 Ų540%028%0.281CS..Hα-helixtrans-66.9-40.8176.1-63.4172.9000111.9L263 L272 I275 L279 A305 F310 A313 I315 A320 V321L263-L317 HydrophobicContact CD1-CB 4.44Å; L263-L317 HydrophobicContact CD2-CB 4.28Å; L272-L317 HydrophobicContact CD1-CD1 3.63Å; I275-L317 HydrophobicContact CG2-CD1 3.84Å; I275-L317 HydrophobicContact CG2-CD2 4.01Å; I275-L317 HydrophobicContact CG2-CG 4.4Å; L279-L317 HydrophobicContact CD1-CD2 3.55Å; A305-L317 HydrophobicContact CB-CD1 4.17Å; A305-L317 HydrophobicContact CB-CD2 3.71Å; A305-L317 HydrophobicContact CB-CG 3.78Å; F310-L317 HydrophobicContact CE1-CD1 4.25Å; A313-L317 HydrophobicContact CB-CD1 4.4Å; A313-L317 WeakPolarHBondContact O-CB 3.23Å; A313-L317 VanDerWaalsContact O-CD1 3.32Å; A313-L317 WeakPolarHBondContact O-CD1 3.25Å; A313-L317 WeakPolarHBondContact O-CG 3.31Å; A313-L317 PolarHBondContact O-N 3.39Å; I315-L317 PolarHBondContact O-N 2.98Å; L317-A320 PolarHBondContact O-N 3.26Å; L317-V321 VanDerWaalsContact O-CG2 3.32Å; L317-V321 WeakPolarHBondContact O-CG2 3.29Å; L317-V321 PolarHBondContact O-N 2.81Å
318A98.8Very high97.7Very high31 Ų3147.6 Ų47.626%0.25626%0.258SS..Hα-helixtrans-62.5-45175.900000111.6L260 R314 I315 A320 V321 V322L260-A318 HydrophobicContact CD2-CB 4.34Å; R314-A318 VanDerWaalsContact O-CB 3.3Å; R314-A318 WeakPolarHBondContact O-CB 3.41Å; R314-A318 PolarHBondContact O-N 3.39Å; I315-A318 PolarHBondContact O-N 3.31Å; A318-A320 PolarHBondContact O-N 3.26Å; A318-V321 PolarHBondContact O-N 2.78Å; A318-V322 WeakPolarHBondContact O-CG2 3.37Å; A318-V322 PolarHBondContact O-N 3.08Å
319D98.7Very high97.8Very high115 Ų11545.1 Ų45.162%0.61524%0.243SC*.Hα-helixtrans-59.2-46.5176.4-74.5-13.4000111.5I315 V321 V322 D323I315-D319 PolarHBondContact O-N 3.34Å; D319-V321 PolarHBondContact O-N 3.02Å; D319-V322 PolarHBondContact O-N 3.34Å; D319-D323 WeakPolarHBondContact O-CB 3.33Å; D319-D323 PolarHBondContact O-N 3.01Å
320A98.7Very high98Very high6 Ų644.3 Ų44.35%0.0523%0.234CC..Hα-helixtrans-61.5-42.6177.100000112.2A301 P316 L317 A318 D323 L324A301-A320 HydrophobicContact CB-CB 3.78Å; P316-A320 WeakPolarHBondContact O-CB 3.17Å; P316-A320 PolarHBondContact O-N 3.01Å; L317-A320 PolarHBondContact O-N 3.26Å; A318-A320 PolarHBondContact O-N 3.26Å; A320-D323 PolarHBondContact O-N 3.33Å; A320-L324 WeakPolarHBondContact O-CB 3.34Å; A320-L324 WeakPolarHBondContact O-CG 3.02Å; A320-L324 PolarHBondContact O-N 2.94Å
321V98.8Very high98.3Very high0 Ų043.8 Ų43.80%023%0.234CC..Hα-helixtrans-62-46178.6166.70000111.5F247 I251 A259 L260 L263 L279 L317 A318 D319 L324 C325F247-V321 HydrophobicContact CE2-CG1 4.34Å; F247-V321 HydrophobicContact CE2-CG2 3.65Å; F247-V321 HydrophobicContact CZ-CG2 3.61Å; I251-V321 HydrophobicContact CD1-CG2 4.29Å; I251-V321 HydrophobicContact CG1-CG1 4.4Å; A259-V321 HydrophobicContact CB-CG1 3.67Å; L260-V321 HydrophobicContact CD2-CB 4.37Å; L260-V321 HydrophobicContact CD2-CG1 3.99Å; L260-V321 HydrophobicContact CG-CG1 4.39Å; L263-V321 HydrophobicContact CD2-CB 4.47Å; L263-V321 HydrophobicContact CD2-CG2 3.93Å; L279-V321 HydrophobicContact CD2-CG2 3.84Å; L317-V321 VanDerWaalsContact O-CG2 3.32Å; L317-V321 WeakPolarHBondContact O-CG2 3.29Å; L317-V321 PolarHBondContact O-N 2.81Å; A318-V321 PolarHBondContact O-N 2.78Å; D319-V321 PolarHBondContact O-N 3.02Å; V321-L324 PolarHBondContact O-N 2.9Å; V321-C325 WeakPolarHBondContact O-CB 3.43Å; V321-C325 PolarHBondContact O-N 3.4Å; V321-C325 PolarHBondContact O-SG 3.44Å
322V98.8Very high98.5Very high49 Ų4940.6 Ų40.630%0.29721%0.213SC..Hα-helixtrans-63.2-45.5178.4176.20000110.6V256 L260 A318 D319 L324 C325 L326V256-V322 HydrophobicContact CG1-CG2 3.97Å; L260-V322 HydrophobicContact CD1-CG2 4.22Å; L260-V322 HydrophobicContact CD2-CG2 4.29Å; A318-V322 WeakPolarHBondContact O-CG2 3.37Å; A318-V322 PolarHBondContact O-N 3.08Å; D319-V322 PolarHBondContact O-N 3.34Å; V322-L324 PolarHBondContact O-N 3.47Å; V322-C325 PolarHBondContact O-N 2.71Å; V322-L326 HydrophobicContact CG1-CD1 3.92Å; V322-L326 WeakPolarHBondContact O-CG 3.35Å; V322-L326 PolarHBondContact O-N 2.92Å
323D98.7Very high98.5Very high45 Ų4538.6 Ų38.624%0.24121%0.213CC..Hα-helixtrans-62.2-41.8179.5-169.123.7000112R297 D319 A320 S327R297-D323 IonicContact CZ-OD2 2.63Å; R297-D323 IonicContact NE-OD2 3.39Å; R297-D323 PolarHBondContact NE-OD2 2.83Å; R297-D323 VanDerWaalsContact NH2-CG 3.28Å; R297-D323 IonicContact NH2-OD1 3.91Å; R297-D323 PolarHBondContact NH2-OD1 3.38Å; R297-D323 IonicContact NH2-OD2 3.8Å; R297-D323 PolarHBondContact NH2-OD2 2.71Å; D319-D323 WeakPolarHBondContact O-CB 3.33Å; D319-D323 PolarHBondContact O-N 3.01Å; A320-D323 PolarHBondContact O-N 3.33Å; D323-S327 VanDerWaalsContact O-CB 3.3Å; D323-S327 WeakPolarHBondContact O-CB 3.5Å; D323-S327 PolarHBondContact O-N 3.37Å; D323-S327 PolarHBondContact O-OG 2.8Å
324L98.8Very high98.4Very high0 Ų042.8 Ų42.80%023%0.229CC..Hα-helixtrans-68.7-43175.8-70.1174.1000112.5I251 L279 I282 I287 A294 T298 A320 V321 V322 L326 S327 K329I251-L324 HydrophobicContact CG2-CB 3.68Å; L279-L324 HydrophobicContact CD2-CD1 3.72Å; I282-L324 HydrophobicContact CG2-CD1 4.09Å; I287-L324 HydrophobicContact CB-CD2 4.32Å; I287-L324 HydrophobicContact CD1-CB 4.06Å; I287-L324 HydrophobicContact CD1-CD2 3.7Å; I287-L324 HydrophobicContact CD1-CG 4.45Å; I287-L324 HydrophobicContact CG1-CD2 3.72Å; A294-L324 HydrophobicContact CB-CD2 4.48Å; T298-L324 HydrophobicContact CG2-CD1 3.94Å; T298-L324 WeakPolarHBondContact OG1-CD2 3.48Å; T298-L324 WeakPolarHBondContact OG1-CG 3.36Å; A320-L324 WeakPolarHBondContact O-CB 3.34Å; A320-L324 WeakPolarHBondContact O-CG 3.02Å; A320-L324 PolarHBondContact O-N 2.94Å; V321-L324 PolarHBondContact O-N 2.9Å; V322-L324 PolarHBondContact O-N 3.47Å; L324-L326 VanDerWaalsContact C-N 3.29Å; L324-L326 PolarHBondContact O-N 3.46Å; L324-S327 PolarHBondContact O-N 2.68Å; L324-K329 PolarHBondContact O-NZ 2.63Å
325C98.7Very high98.4Very high0 Ų039 Ų390%022%0.223CC..Hα-helixtrans-58.4-43.7177.2-73.80000111.2S254 V256 A259 V321 V322 K329S254-C325 WeakPolarHBondContact CA-O 3.4Å; S254-C325 WeakPolarHBondContact CB-O 3.27Å; S254-C325 PolarHBondContact OG-O 3.03Å; V256-C325 HydrophobicContact CB-CB 4.46Å; V256-C325 HydrophobicContact CG2-CB 3.6Å; A259-C325 WeakPolarHBondContact CB-SG 3.34Å; V321-C325 WeakPolarHBondContact O-CB 3.43Å; V321-C325 PolarHBondContact O-N 3.4Å; V321-C325 PolarHBondContact O-SG 3.44Å; V322-C325 PolarHBondContact O-N 2.71Å; C325-K329 PolarHBondContact O-NZ 3.32Å
326L98.5Very high98.4Very high125 Ų12535.1 Ų35.165%0.65421%0.205SC*.Hα-helixtrans-88.7-4-176.8-60.9178.1000113.9V256 V322 L324V256-L326 HydrophobicContact CG2-CD1 4.46Å; V256-L326 HydrophobicContact CG2-CD2 3.77Å; V256-L326 HydrophobicContact CG2-CG 3.92Å; V322-L326 HydrophobicContact CG1-CD1 3.92Å; V322-L326 WeakPolarHBondContact O-CG 3.35Å; V322-L326 PolarHBondContact O-N 2.92Å; L324-L326 VanDerWaalsContact C-N 3.29Å; L324-L326 PolarHBondContact O-N 3.46Å
327S98.6Very high98.3Very high6 Ų639 Ų394%0.04222%0.224CC..SBendtrans-73.5147.8174.1-77.20000112.3N291 A294 D323 L324 K329N291-S327 PolarHBondContact ND2-OG 3.49Å; A294-S327 WeakPolarHBondContact CB-OG 3.41Å; D323-S327 VanDerWaalsContact O-CB 3.3Å; D323-S327 WeakPolarHBondContact O-CB 3.5Å; D323-S327 PolarHBondContact O-N 3.37Å; D323-S327 PolarHBondContact O-OG 2.8Å; L324-S327 PolarHBondContact O-N 2.68Å; S327-K329 PolarHBondContact O-NZ 3.31Å
328P98.1Very high98.3Very high46 Ų4642.8 Ų42.830%0.29924%0.244SC..  trans-60.8149.4168.930-36.8000110.3A290 N291 T404A290-P328 HydrophobicContact CB-CB 3.9Å; A290-P328 HydrophobicContact CB-CG 3.89Å; A290-P328 VanDerWaalsContact CB-O 3.27Å; A290-P328 WeakPolarHBondContact CB-O 3.19Å; A290-P328 WeakPolarHBondContact O-CG 3.41Å; N291-P328 HydrophobicContact CB-CG 4.08Å; P328-T404 WeakPolarHBondContact CB-O 3.27Å
329K98.2Very high98.3Very high41 Ų4143.2 Ų43.218%0.17825%0.248CC..  trans-104.4140-171.7-56.6-64.3-173.7-85.10112I251 R252 S254 D286 I287 L324 C325 S327 T404I251-K329 WeakPolarHBondContact O-CE 3.39Å; R252-K329 WeakPolarHBondContact O-CE 3.36Å; S254-K329 WeakPolarHBondContact OG-CE 3.31Å; S254-K329 PolarHBondContact OG-NZ 3.45Å; S254-K329 VanDerWaalsContact OG-NZ 3.08Å; D286-K329 CarbonylContact O-C 3.57Å; D286-K329 WeakPolarHBondContact O-CA 3.5Å; D286-K329 WeakPolarHBondContact O-CB 3.39Å; D286-K329 WeakPolarHBondContact O-CD 3.47Å; I287-K329 HydrophobicContact CD1-CD 4.1Å; I287-K329 HydrophobicContact CG1-CD 4.43Å; L324-K329 PolarHBondContact O-NZ 2.63Å; C325-K329 PolarHBondContact O-NZ 3.32Å; S327-K329 PolarHBondContact O-NZ 3.31Å; K329-T404 WeakPolarHBondContact O-CB 3.28Å; K329-T404 PolarHBondContact O-OG1 3.33Å
330S98.1Very high98.2Very high4 Ų438.7 Ų38.73%0.02823%0.227CC..  trans-159.9135.3170.2-174.80000112.3D286 I287 S332 E408D286-S330 PolarHBondContact O-N 2.85Å; I287-S330 CarbonylContact C-O 3.58Å; I287-S330 PolarHBondContact O-N 3.2Å; S330-S332 PolarHBondContact OG-N 2.96Å; S330-S332 PolarHBondContact OG-OG 3.29Å; S330-S332 VanDerWaalsContact OG-OG 3.12Å; S330-E408 WeakPolarHBondContact CB-OE2 3.39Å; S330-E408 VanDerWaalsContact OG-CD 3.26Å; S330-E408 PolarHBondContact OG-OE1 3.39Å; S330-E408 VanDerWaalsContact OG-OE1 3.12Å; S330-E408 PolarHBondContact OG-OE2 3.16Å
331N97.9Very high98.1Very high53 Ų5341 Ų4128%0.28324%0.238SC..  trans-114.811.4173.968.6-26.9000112.9A333 Y334 A335 K402N331-A333 VanDerWaalsContact C-N 3.3Å; N331-A333 PolarHBondContact O-N 3.31Å; N331-Y334 HydrophobicContact CB-CD1 4.01Å; N331-Y334 HydrophobicContact CB-CE1 3.35Å; N331-A335 WeakPolarHBondContact O-CB 2.96Å; N331-A335 PolarHBondContact O-N 2.95Å; N331-K402 WeakPolarHBondContact OD1-CE 3.38Å; N331-K402 PolarHBondContact OD1-NZ 2.91Å
332S98Very high98Very high7 Ų744 Ų445%0.04926%0.256CS..Hα-helixtrans-59.4-37.5-16956.40000113.4S330 A336 E400 E408S330-S332 PolarHBondContact OG-N 2.96Å; S330-S332 PolarHBondContact OG-OG 3.29Å; S330-S332 VanDerWaalsContact OG-OG 3.12Å; S332-A336 VanDerWaalsContact O-CB 3.31Å; S332-A336 WeakPolarHBondContact O-CB 3.3Å; S332-A336 PolarHBondContact O-N 3.12Å; S332-E400 WeakPolarHBondContact CB-O 3.06Å; S332-E408 VanDerWaalsContact CB-OE1 3.24Å; S332-E408 WeakPolarHBondContact CB-OE1 3.43Å; S332-E408 PolarHBondContact OG-OE1 2.72Å
333A97.7Very high97.9Very high51 Ų5143.5 Ų43.542%0.42125%0.252SS..Hα-helixtrans-68.3-51.4-176.200000113L289 N331 A336 L337L289-A333 HydrophobicContact CD1-CB 4.08Å; L289-A333 HydrophobicContact CG-CB 4.27Å; N331-A333 VanDerWaalsContact C-N 3.3Å; N331-A333 PolarHBondContact O-N 3.31Å; A333-A336 PolarHBondContact O-N 2.57Å; A333-L337 PolarHBondContact O-N 3.36Å
334Y97Very high97.7Very high87 Ų8746.5 Ų46.534%0.34127%0.267SS..Hα-helixtrans-76-31.6-17990.2-99.9000111.5E285 N331 A336 L337 D338E285-Y334 HydrophobicContact CB-CE1 4.36Å; E285-Y334 HydrophobicContact CG-CD1 4.12Å; E285-Y334 HydrophobicContact CG-CE1 3.5Å; E285-Y334 WeakPolarHBondContact O-CE1 3.4Å; N331-Y334 HydrophobicContact CB-CD1 4.01Å; N331-Y334 HydrophobicContact CB-CE1 3.35Å; Y334-A336 VanDerWaalsContact C-N 3.28Å; Y334-A336 PolarHBondContact O-N 3.4Å; Y334-L337 WeakPolarHBondContact O-CB 3.25Å; Y334-L337 PolarHBondContact O-N 3.26Å; Y334-L337 VanDerWaalsContact O-N 3.11Å; Y334-D338 WeakPolarHBondContact CD2-OD2 3.22Å; Y334-D338 WeakPolarHBondContact CE2-OD2 3.47Å; Y334-D338 PolarHBondContact O-N 3.16Å
335A97.9Very high97.5Very high39 Ų3956.4 Ų56.432%0.32230%0.304SS..Hα-helixtrans-60.1-39.8172.400000111.7N331 D338 A339N331-A335 WeakPolarHBondContact O-CB 2.96Å; N331-A335 PolarHBondContact O-N 2.95Å; A335-D338 PolarHBondContact O-N 2.65Å; A335-A339 PolarHBondContact O-N 3.25Å; A335-A339 VanDerWaalsContact O-N 3.07Å
336A98.2Very high97.3Very high12 Ų1262.7 Ų62.710%0.09934%0.335CS..Hα-helixtrans-63-41173.200000112.2S332 A333 Y334 A339 A340 Y398 Y399S332-A336 VanDerWaalsContact O-CB 3.31Å; S332-A336 WeakPolarHBondContact O-CB 3.3Å; S332-A336 PolarHBondContact O-N 3.12Å; A333-A336 PolarHBondContact O-N 2.57Å; Y334-A336 VanDerWaalsContact C-N 3.28Å; Y334-A336 PolarHBondContact O-N 3.4Å; A336-A339 PolarHBondContact O-N 3.05Å; A336-A340 PolarHBondContact O-N 3.16Å; A336-A340 VanDerWaalsContact O-N 3.14Å; A336-Y398 WeakPolarHBondContact CA-O 3.47Å; A336-Y398 WeakPolarHBondContact CB-O 3.33Å; A336-Y399 HydrophobicContact CB-CD2 4.41Å
337L98.4Very high97Very high102 Ų10258.9 Ų58.953%0.53433%0.326SS..Hα-helixtrans-65.4-43.1176.2177.861.4000111.9A333 Y334 A339 A340 I341A333-L337 PolarHBondContact O-N 3.36Å; Y334-L337 WeakPolarHBondContact O-CB 3.25Å; Y334-L337 PolarHBondContact O-N 3.26Å; Y334-L337 VanDerWaalsContact O-N 3.11Å; L337-A339 VanDerWaalsContact C-N 3.28Å; L337-A339 PolarHBondContact O-N 3.12Å; L337-A340 PolarHBondContact O-N 3.07Å; L337-A340 VanDerWaalsContact O-N 3.16Å; L337-I341 HydrophobicContact CD1-CD1 4.09Å; L337-I341 HydrophobicContact CD1-CG1 4.17Å; L337-I341 HydrophobicContact CD2-CD1 4.4Å; L337-I341 HydrophobicContact CG-CD1 3.83Å; L337-I341 HydrophobicContact CG-CG1 4.34Å; L337-I341 WeakPolarHBondContact O-CG1 3.44Å; L337-I341 PolarHBondContact O-N 2.85Å
338D98.1Very high96.6Very high79 Ų7961.2 Ų61.242%0.42234%0.338SS..Hα-helixtrans-62.4-37.8178.5-76.1-17.8000111.5Y334 A335 I341 T342Y334-D338 WeakPolarHBondContact CD2-OD2 3.22Å; Y334-D338 WeakPolarHBondContact CE2-OD2 3.47Å; Y334-D338 PolarHBondContact O-N 3.16Å; A335-D338 PolarHBondContact O-N 2.65Å; D338-I341 PolarHBondContact O-N 3.4Å; D338-T342 WeakPolarHBondContact O-CB 3.28Å; D338-T342 PolarHBondContact O-N 3.11Å; D338-T342 PolarHBondContact O-OG1 3.21Å
339A97.7Very high96.1Very high41 Ų4161 Ų6134%0.33934%0.34SS..Hα-helixtrans-61.5-46.3172.300000111.8A335 A336 L337 T342 D343 Y398A335-A339 PolarHBondContact O-N 3.25Å; A335-A339 VanDerWaalsContact O-N 3.07Å; A336-A339 PolarHBondContact O-N 3.05Å; L337-A339 VanDerWaalsContact C-N 3.28Å; L337-A339 PolarHBondContact O-N 3.12Å; A339-T342 WeakPolarHBondContact O-CB 3.35Å; A339-T342 PolarHBondContact O-N 3.13Å; A339-D343 PolarHBondContact O-N 3.22Å; A339-Y398 HydrophobicContact CB-CD1 3.83Å
340A97.3Very high95.7Very high20 Ų2060.8 Ų60.817%0.16535%0.349CS..Hα-helixtrans-64.7-40.6176.400000112.8A336 L337 T342 D343 I344 Y398A336-A340 PolarHBondContact O-N 3.16Å; A336-A340 VanDerWaalsContact O-N 3.14Å; L337-A340 PolarHBondContact O-N 3.07Å; L337-A340 VanDerWaalsContact O-N 3.16Å; A340-T342 VanDerWaalsContact C-N 3.25Å; A340-T342 PolarHBondContact O-N 3.3Å; A340-D343 PolarHBondContact O-N 3.34Å; A340-I344 WeakPolarHBondContact O-CG1 3.36Å; A340-I344 PolarHBondContact O-N 3.02Å; A340-Y398 HydrophobicContact CB-CD1 4.15Å; A340-Y398 HydrophobicContact CB-CD2 4.12Å; A340-Y398 HydrophobicContact CB-CE1 4.05Å; A340-Y398 HydrophobicContact CB-CE2 4.02Å; A340-Y398 HydrophobicContact CB-CG 4.18Å
341I97.6Very high95.4Very high54 Ų5467.4 Ų67.428%0.27738%0.38SS..Hα-helixtrans-62.1-37.3174.7-71.3171.3000110.5L337 D338 I344 R345L337-I341 HydrophobicContact CD1-CD1 4.09Å; L337-I341 HydrophobicContact CD1-CG1 4.17Å; L337-I341 HydrophobicContact CD2-CD1 4.4Å; L337-I341 HydrophobicContact CG-CD1 3.83Å; L337-I341 HydrophobicContact CG-CG1 4.34Å; L337-I341 WeakPolarHBondContact O-CG1 3.44Å; L337-I341 PolarHBondContact O-N 2.85Å; D338-I341 PolarHBondContact O-N 3.4Å; I341-I344 PolarHBondContact O-N 3.41Å; I341-R345 HydrophobicContact CG2-CG 4.39Å; I341-R345 WeakPolarHBondContact O-CB 3.46Å; I341-R345 VanDerWaalsContact O-CG 3.29Å; I341-R345 WeakPolarHBondContact O-CG 3.44Å; I341-R345 PolarHBondContact O-N 2.84Å
342T96.6Very high95.2Very high62 Ų6268.9 Ų68.938%0.3839%0.391SS..Hα-helixtrans-63.8-46.8177.7-620000110.8D338 A339 A340 I344 R345 M346D338-T342 WeakPolarHBondContact O-CB 3.28Å; D338-T342 PolarHBondContact O-N 3.11Å; D338-T342 PolarHBondContact O-OG1 3.21Å; A339-T342 WeakPolarHBondContact O-CB 3.35Å; A339-T342 PolarHBondContact O-N 3.13Å; A340-T342 VanDerWaalsContact C-N 3.25Å; A340-T342 PolarHBondContact O-N 3.3Å; T342-I344 VanDerWaalsContact C-N 3.34Å; T342-I344 PolarHBondContact O-N 3.27Å; T342-R345 PolarHBondContact O-N 2.82Å; T342-M346 HydrophobicContact CG2-CE 3.67Å; T342-M346 HydrophobicContact CG2-SD 4.11Å; T342-M346 WeakPolarHBondContact O-CG 3.48Å; T342-M346 PolarHBondContact O-N 3.44Å
343D95.4Very high95Very high40 Ų4069.4 Ų69.421%0.21439%0.394CS..Hα-helixtrans-59.6-43.5175.4-88.4-16.6000112.3A339 A340 R345 M346 G347 N348 Y398A339-D343 PolarHBondContact O-N 3.22Å; A340-D343 PolarHBondContact O-N 3.34Å; D343-R345 VanDerWaalsContact C-N 3.34Å; D343-R345 PolarHBondContact O-N 2.66Å; D343-M346 PolarHBondContact O-N 2.78Å; D343-G347 PolarHBondContact O-N 3.31Å; D343-N348 HydrophobicContact CB-CB 4.1Å; D343-N348 WeakPolarHBondContact O-CA 3.43Å; D343-N348 WeakPolarHBondContact O-CB 3.39Å; D343-N348 PolarHBondContact O-N 3.27Å; D343-Y398 WeakPolarHBondContact OD2-CE1 3.28Å; D343-Y398 PolarHBondContact OD2-OH 3.05Å
344I95.5Very high94.7Very high107 Ų10770 Ų7055%0.54939%0.39SS..Hα-helixtrans-60.2-45.6176.3-67164.7000110.8A340 I341 T342 M346 G347 A349A340-I344 WeakPolarHBondContact O-CG1 3.36Å; A340-I344 PolarHBondContact O-N 3.02Å; I341-I344 PolarHBondContact O-N 3.41Å; T342-I344 VanDerWaalsContact C-N 3.34Å; T342-I344 PolarHBondContact O-N 3.27Å; I344-M346 VanDerWaalsContact C-N 3.28Å; I344-M346 PolarHBondContact O-N 3.18Å; I344-G347 PolarHBondContact O-N 2.77Å; I344-A349 HydrophobicContact CG1-CB 4.43Å
345R94.3Very high94.5Very high208 Ų20867.8 Ų67.879%0.78538%0.383SS*.Hα-helixtrans-65.7-30.1179.3-74.1174.9177.5176.62.4112.8I341 T342 D343 G347I341-R345 HydrophobicContact CG2-CG 4.39Å; I341-R345 WeakPolarHBondContact O-CB 3.46Å; I341-R345 VanDerWaalsContact O-CG 3.29Å; I341-R345 WeakPolarHBondContact O-CG 3.44Å; I341-R345 PolarHBondContact O-N 2.84Å; T342-R345 PolarHBondContact O-N 2.82Å; D343-R345 VanDerWaalsContact C-N 3.34Å; D343-R345 PolarHBondContact O-N 2.66Å; R345-G347 PolarHBondContact O-N 3.43Å
346M94Very high94.2Very high133 Ų13368.4 Ų68.466%0.65538%0.38SS*.THydrogen-bonded Turntrans-791.1173.7-68.7-178.5177.500113.2T342 D343 I344 N348T342-M346 HydrophobicContact CG2-CE 3.67Å; T342-M346 HydrophobicContact CG2-SD 4.11Å; T342-M346 WeakPolarHBondContact O-CG 3.48Å; T342-M346 PolarHBondContact O-N 3.44Å; D343-M346 PolarHBondContact O-N 2.78Å; I344-M346 VanDerWaalsContact C-N 3.28Å; I344-M346 PolarHBondContact O-N 3.18Å; M346-N348 VanDerWaalsContact C-N 3.34Å
347G92Very high93.8Very high45 Ų4571 Ų7146%0.46439%0.388SS..THydrogen-bonded Turntrans80.413.1-178.300000113.7D343 I344 R345 A349 K392D343-G347 PolarHBondContact O-N 3.31Å; I344-G347 PolarHBondContact O-N 2.77Å; R345-G347 PolarHBondContact O-N 3.43Å; G347-A349 VanDerWaalsContact C-N 3.27Å; G347-A349 PolarHBondContact O-N 3.06Å; G347-K392 PolarHBondContact O-NZ 3.41Å
348N90Very high93.2Very high54 Ų5470.6 Ų70.629%0.28939%0.386SS..  trans-90.336.9177.2-64.1-26.6000112.6D343 M346 K392 I393D343-N348 HydrophobicContact CB-CB 4.1Å; D343-N348 WeakPolarHBondContact O-CA 3.43Å; D343-N348 WeakPolarHBondContact O-CB 3.39Å; D343-N348 PolarHBondContact O-N 3.27Å; M346-N348 VanDerWaalsContact C-N 3.34Å; N348-K392 WeakPolarHBondContact OD1-CE 3.35Å; N348-K392 PolarHBondContact OD1-NZ 2.8Å; N348-I393 HydrophobicContact CB-CG2 4.15Å; N348-I393 WeakPolarHBondContact O-CG2 3.43Å
349A87.6Confident92.4Very high41 Ų4169.4 Ų69.434%0.33938%0.384SS..  trans-76.9-47.7176.900000112.4I344 G347 P390I344-A349 HydrophobicContact CG1-CB 4.43Å; G347-A349 VanDerWaalsContact C-N 3.27Å; G347-A349 PolarHBondContact O-N 3.06Å; A349-P390 WeakPolarHBondContact O-CB 3.13Å; A349-P390 VanDerWaalsContact O-CG 3.27Å; A349-P390 WeakPolarHBondContact O-CG 3.36Å
350G89.5Confident91.6Very high37 Ų3776.1 Ų76.138%0.38141%0.408SS..  trans71.1179.6-169.200000113
351E92.4Very high90.8Very high144 Ų14479 Ų7967%0.67342%0.415SS*.PPolyproline II helixtrans-92.3141.5175.3-67.5-163.4-176.700111.7P353 R357 P390E351-P353 WeakPolarHBondContact O-CD 3.44Å; E351-R357 IonicContact OE2-CZ 3.28Å; E351-R357 IonicContact OE2-NH2 2.76Å; E351-R357 PolarHBondContact OE2-NH2 2.8Å; E351-P390 WeakPolarHBondContact O-CB 3.46Å; E351-P390 WeakPolarHBondContact O-CG 3.33Å
352V93.6Very high89.5Confident83 Ų8386.6 Ų86.650%0.50345%0.446SS..PPolyproline II helixtrans-58.3125.7171.3179.60000108.9L356 R357V352-L356 HydrophobicContact CG1-CB 4.03Å; V352-R357 HydrophobicContact CB-CG 4.42Å; V352-R357 HydrophobicContact CG1-CG 4.15Å; V352-R357 PolarHBondContact O-NE 3.45Å; V352-R357 PolarHBondContact O-NH2 3.07Å
353P93.6Very high88.6Confident18 Ų1885.8 Ų85.812%0.11745%0.45CS..PPolyproline II helixtrans-52.7140.1177.5-27.933.8000112.9E351 H355 L356 R357E351-P353 WeakPolarHBondContact O-CD 3.44Å; P353-H355 VanDerWaalsContact C-N 3.28Å; P353-H355 WeakPolarHBondContact CB-CE1 3.46Å; P353-H355 PolarHBondContact O-N 3.4Å; P353-L356 HydrophobicContact CB-CD1 4.08Å; P353-L356 HydrophobicContact CB-CG 4.32Å; P353-L356 HydrophobicContact CG-CD1 3.94Å; P353-L356 PolarHBondContact O-N 2.76Å; P353-R357 PolarHBondContact O-N 3.03Å
354D91.2Very high87.6Confident65 Ų6584 Ų8435%0.34844%0.44SS..G310 helixtrans-57.8-37.2-172.1-84.9-23.5000113.6L356 R357 G370D354-L356 PolarHBondContact O-N 3.29Å; D354-R357 PolarHBondContact O-N 3.4Å; D354-R357 WeakPolarHBondContact OD1-CD 3.24Å; D354-R357 IonicContact OD1-CZ 3.39Å; D354-R357 IonicContact OD1-NE 2.77Å; D354-R357 PolarHBondContact OD1-NE 2.93Å; D354-R357 IonicContact OD1-NH1 3.39Å; D354-R357 PolarHBondContact OD1-NH1 3.21Å; D354-R357 IonicContact OD1-NH2 3.11Å; D354-G370 PolarHBondContact O-N 3.26Å
355H92.5Very high86.6Confident39 Ų3987.5 Ų87.518%0.18145%0.452CS..G310 helixtrans-69.7-12.8176.863-80.1000113.8P353 V371 Y373 Q386 Q387P353-H355 VanDerWaalsContact C-N 3.28Å; P353-H355 WeakPolarHBondContact CB-CE1 3.46Å; P353-H355 PolarHBondContact O-N 3.4Å; H355-V371 VanDerWaalsContact CB-O 3.31Å; H355-V371 WeakPolarHBondContact CB-O 3.37Å; H355-Y373 VanDerWaalsContact O-CB 3.3Å; H355-Y373 WeakPolarHBondContact O-CB 3.49Å; H355-Q386 WeakPolarHBondContact NE2-CG 3.47Å; H355-Q387 PolarHBondContact CE1-O 3.25Å; H355-Q387 PolarHBondContact NE2-O 3.41Å
356L92.8Very high85.9Confident52 Ų5282 Ų8227%0.27245%0.451SS..G310 helixtrans-102.1-9.2175.9-58.3172.8000113V352 P353 D354 Y373 Y388V352-L356 HydrophobicContact CG1-CB 4.03Å; P353-L356 HydrophobicContact CB-CD1 4.08Å; P353-L356 HydrophobicContact CB-CG 4.32Å; P353-L356 HydrophobicContact CG-CD1 3.94Å; P353-L356 PolarHBondContact O-N 2.76Å; D354-L356 PolarHBondContact O-N 3.29Å; L356-Y373 HydrophobicContact CD2-CD2 3.98Å; L356-Y373 HydrophobicContact CD2-CE2 4.01Å; L356-Y388 HydrophobicContact CD1-CD1 4.13Å; L356-Y388 VanDerWaalsContact CD1-O 3.25Å; L356-Y388 WeakPolarHBondContact CD1-O 3.45Å; L356-Y388 HydrophobicContact CD2-CD1 3.8Å; L356-Y388 HydrophobicContact CD2-CE1 4Å
357R90.4Very high85.2Confident67 Ų6780.7 Ų80.725%0.25345%0.446SS..SBendtrans-67.9147.8177.8-65.7179.5-178.6-176.9-9.5110.1E351 V352 P353 D354 S359 R369E351-R357 IonicContact OE2-CZ 3.28Å; E351-R357 IonicContact OE2-NH2 2.76Å; E351-R357 PolarHBondContact OE2-NH2 2.8Å; V352-R357 HydrophobicContact CB-CG 4.42Å; V352-R357 HydrophobicContact CG1-CG 4.15Å; V352-R357 PolarHBondContact O-NE 3.45Å; V352-R357 PolarHBondContact O-NH2 3.07Å; P353-R357 PolarHBondContact O-N 3.03Å; D354-R357 PolarHBondContact O-N 3.4Å; D354-R357 WeakPolarHBondContact OD1-CD 3.24Å; D354-R357 IonicContact OD1-CZ 3.39Å; D354-R357 IonicContact OD1-NE 2.77Å; D354-R357 PolarHBondContact OD1-NE 2.93Å; D354-R357 IonicContact OD1-NH1 3.39Å; D354-R357 PolarHBondContact OD1-NH1 3.21Å; D354-R357 IonicContact OD1-NH2 3.11Å; R357-S359 PolarHBondContact O-N 3.14Å; R357-R369 HydrophobicContact CB-CB 4.12Å; R357-R369 HydrophobicContact CB-CG 4.09Å
358D85.2Confident84.6Confident93 Ų9382.7 Ų82.750%0.49745%0.446SS..  trans-53.8128177.8178.526.3000111.5H360 Y361D358-H360 WeakPolarHBondContact OD1-CB 3.31Å; D358-H360 IonicContact OD1-CD2 2.83Å; D358-H360 PolarHBondContact OD1-CD2 3.19Å; D358-H360 IonicContact OD1-CG 3.6Å; D358-H360 PolarHBondContact OD1-N 3.07Å; D358-Y361 WeakPolarHBondContact O-CE1 3.38Å
359S81.3Confident84.2Confident55 Ų5584.6 Ų84.639%0.38545%0.449SS..  trans-122.18.1179.665.50000114R357 Y361 R369R357-S359 PolarHBondContact O-N 3.14Å; S359-Y361 PolarHBondContact O-N 3.46Å; S359-R369 WeakPolarHBondContact CB-O 3.38Å
360H81.2Confident83.9Confident181 Ų18183.4 Ų83.484%0.83844%0.441SS*.  trans-790.4-174.3-70.6-74.9000114.5D358D358-H360 WeakPolarHBondContact OD1-CB 3.31Å; D358-H360 IonicContact OD1-CD2 2.83Å; D358-H360 PolarHBondContact OD1-CD2 3.19Å; D358-H360 IonicContact OD1-CG 3.6Å; D358-H360 PolarHBondContact OD1-N 3.07Å
361Y79.2Confident83.6Confident81 Ų8185 Ų8532%0.31844%0.443SS..SBendtrans-108.6153.5-179.868.9-89.9000113.5D358 S359 G363 A364 L367 R369D358-Y361 WeakPolarHBondContact O-CE1 3.38Å; S359-Y361 PolarHBondContact O-N 3.46Å; Y361-G363 PolarHBondContact O-N 2.92Å; Y361-A364 HydrophobicContact CD1-CB 4.11Å; Y361-A364 HydrophobicContact CD2-CB 4.21Å; Y361-A364 HydrophobicContact CE1-CB 3.82Å; Y361-A364 HydrophobicContact CE2-CB 3.92Å; Y361-A364 HydrophobicContact CG-CB 4.3Å; Y361-A364 WeakPolarHBondContact O-CB 3.35Å; Y361-A364 PolarHBondContact O-N 3.18Å; Y361-L367 HydrophobicContact CE2-CD1 4.33Å; Y361-R369 WeakPolarHBondContact OH-CD 3.31Å; Y361-R369 PolarHBondContact OH-NE 3.44Å; Y361-R369 PolarHBondContact OH-NH1 3.33Å
362K71.8Confident83.5Confident214 Ų21480.9 Ų80.993%0.9344%0.439SS*.THydrogen-bonded Turntrans-60.3128179.4-74.2-173.5179.4-179.80110.7
363G76.5Confident83.4Confident45 Ų4582 Ų8246%0.46444%0.435SS..THydrogen-bonded Turntrans92.8-6.4-179.600000115.2Y361 K365 A366 L367Y361-G363 PolarHBondContact O-N 2.92Å; G363-K365 VanDerWaalsContact C-N 3.3Å; G363-K365 PolarHBondContact O-N 3.34Å; G363-A366 WeakPolarHBondContact O-CB 3.18Å; G363-A366 PolarHBondContact O-N 3.41Å; G363-L367 PolarHBondContact O-N 2.95Å
364A74.6Confident83.4Confident1 Ų184.8 Ų84.81%0.00845%0.446CS..G310 helixtrans-57-40.3179.900000113.6Y361 A366 L367 N368 R369Y361-A364 HydrophobicContact CD1-CB 4.11Å; Y361-A364 HydrophobicContact CD2-CB 4.21Å; Y361-A364 HydrophobicContact CE1-CB 3.82Å; Y361-A364 HydrophobicContact CE2-CB 3.92Å; Y361-A364 HydrophobicContact CG-CB 4.3Å; Y361-A364 WeakPolarHBondContact O-CB 3.35Å; Y361-A364 PolarHBondContact O-N 3.18Å; A364-A366 VanDerWaalsContact C-N 3.31Å; A364-A366 PolarHBondContact O-N 3.4Å; A364-L367 CarbonylContact O-C 3.13Å; A364-L367 WeakPolarHBondContact O-CA 3.37Å; A364-L367 PolarHBondContact O-N 3.41Å; A364-N368 PolarHBondContact O-N 3.06Å; A364-R369 HydrophobicContact CB-CB 4.35Å; A364-R369 PolarHBondContact O-N 3.42Å
365K73.9Confident83.5Confident181 Ų18187.7 Ų87.779%0.78745%0.453SS*.G310 helixtrans-61.1-35.9175.1-72.6-174.3177.3-177.10113.2G363 L367 N368G363-K365 VanDerWaalsContact C-N 3.3Å; G363-K365 PolarHBondContact O-N 3.34Å; K365-L367 PolarHBondContact O-N 2.96Å; K365-N368 PolarHBondContact O-N 3.39Å; K365-N368 VanDerWaalsContact O-N 3.12Å
366A79.9Confident83.6Confident93 Ų9387.1 Ų87.177%0.76945%0.453SS*.G310 helixtrans-70.5-22.4176.800000112.2G363 A364 N368G363-A366 WeakPolarHBondContact O-CB 3.18Å; G363-A366 PolarHBondContact O-N 3.41Å; A364-A366 VanDerWaalsContact C-N 3.31Å; A364-A366 PolarHBondContact O-N 3.4Å; A366-N368 VanDerWaalsContact C-N 3.31Å
367L79.8Confident83.7Confident105 Ų10591 Ų9155%0.5547%0.47SS..G310 helixtrans-92.312.5172.6-62.7172000112.7Y361 G363 A364 K365 R369Y361-L367 HydrophobicContact CE2-CD1 4.33Å; G363-L367 PolarHBondContact O-N 2.95Å; A364-L367 CarbonylContact O-C 3.13Å; A364-L367 WeakPolarHBondContact O-CA 3.37Å; A364-L367 PolarHBondContact O-N 3.41Å; K365-L367 PolarHBondContact O-N 2.96Å; L367-R369 HydrophobicContact CB-CG 4.26Å; L367-R369 PolarHBondContact O-N 3.02Å
368N80.2Confident83.9Confident87 Ų8792.3 Ų92.347%0.46549%0.489SS..THydrogen-bonded Turntrans57.824.1-177.8-15340.4000115.1A364 K365 A366A364-N368 PolarHBondContact O-N 3.06Å; K365-N368 PolarHBondContact O-N 3.39Å; K365-N368 VanDerWaalsContact O-N 3.12Å; A366-N368 VanDerWaalsContact C-N 3.31Å
369R81.5Confident84.3Confident94 Ų9491.6 Ų91.636%0.35548%0.482SS..  trans-91.4133.7-178.8-65.6-178.5-176.4-170.4-6.5112R357 S359 Y361 A364 L367 V371R357-R369 HydrophobicContact CB-CB 4.12Å; R357-R369 HydrophobicContact CB-CG 4.09Å; S359-R369 WeakPolarHBondContact CB-O 3.38Å; Y361-R369 WeakPolarHBondContact OH-CD 3.31Å; Y361-R369 PolarHBondContact OH-NE 3.44Å; Y361-R369 PolarHBondContact OH-NH1 3.33Å; A364-R369 HydrophobicContact CB-CB 4.35Å; A364-R369 PolarHBondContact O-N 3.42Å; L367-R369 HydrophobicContact CB-CG 4.26Å; L367-R369 PolarHBondContact O-N 3.02Å; R369-V371 PolarHBondContact O-N 3.09Å
370G81.4Confident84.9Confident16 Ų1696.9 Ų96.917%0.16550%0.5CS..SBendtrans68.23.4-175.700000114.2D354 G372 Y373D354-G370 PolarHBondContact O-N 3.26Å; G370-G372 PolarHBondContact O-N 3.45Å; G370-Y373 PolarHBondContact O-N 3.03Å
371V83.6Confident85.3Confident72 Ų7292.5 Ų92.544%0.43648%0.483SS..THydrogen-bonded Turntrans-70.7126.6177.8-179.20000108.2H355 R369H355-V371 VanDerWaalsContact CB-O 3.31Å; H355-V371 WeakPolarHBondContact CB-O 3.37Å; R369-V371 PolarHBondContact O-N 3.09Å
372G88.8Confident86.1Confident56 Ų5690.8 Ų90.858%0.57749%0.486SS*.THydrogen-bonded Turntrans88.51.3-179.600000115.4G370 Q374G370-G372 PolarHBondContact O-N 3.45Å; G372-Q374 PolarHBondContact O-N 2.98Å
373Y93Very high87.1Confident106 Ų10683 Ų8342%0.41645%0.451SS..  trans-59.3124174.1-179.3-110.9000111.4H355 L356 G370 Y375 P376H355-Y373 VanDerWaalsContact O-CB 3.3Å; H355-Y373 WeakPolarHBondContact O-CB 3.49Å; L356-Y373 HydrophobicContact CD2-CD2 3.98Å; L356-Y373 HydrophobicContact CD2-CE2 4.01Å; G370-Y373 PolarHBondContact O-N 3.03Å; Y373-Y375 HydrophobicContact CE1-CD2 4.11Å; Y373-P376 WeakPolarHBondContact OH-CD 3.37Å
374Q92.2Very high87.9Confident77 Ų7781 Ų8136%0.3643%0.429SS..  trans-96.1112.8174.7-59.3-174.542.300109.1G372 P376 F379 V384G372-Q374 PolarHBondContact O-N 2.98Å; Q374-P376 VanDerWaalsContact O-CD 3.25Å; Q374-P376 WeakPolarHBondContact O-CD 3.27Å; Q374-F379 HydrophobicContact CB-CE2 3.77Å; Q374-F379 HydrophobicContact CB-CZ 3.85Å; Q374-F379 HydrophobicContact CG-CZ 4.22Å; Q374-F379 VanDerWaalsContact OE1-CZ 3.32Å; Q374-V384 HydrophobicContact CB-CB 4.49Å; Q374-V384 HydrophobicContact CB-CG1 3.94Å; Q374-V384 HydrophobicContact CB-CG2 3.91Å
375Y93Very high88.8Confident127 Ų12784 Ų8450%0.49845%0.445SS..  trans-73.9112.8-180-177.8-130.8000110.6Y373 H377 S378 F379Y373-Y375 HydrophobicContact CE1-CD2 4.11Å; Y375-H377 VanDerWaalsContact C-N 3.3Å; Y375-H377 HydrophobicContact CD1-CB 4.14Å; Y375-H377 HydrophobicContact CE1-CB 3.62Å; Y375-H377 HydrophobicContact CE2-CB 4.48Å; Y375-H377 AromaticContact CE2-CD2 3.76Å; Y375-H377 AromaticContact CZ-CD2 3.53Å; Y375-H377 PolarHBondContact O-N 3.13Å; Y375-H377 VanDerWaalsContact O-N 3.16Å; Y375-H377 PolarHBondContact OH-CD2 2.99Å; Y375-H377 VanDerWaalsContact OH-CD2 3.3Å; Y375-S378 WeakPolarHBondContact O-CB 3.29Å; Y375-S378 PolarHBondContact O-N 3.16Å; Y375-F379 VanDerWaalsContact O-CD2 3.24Å; Y375-F379 WeakPolarHBondContact O-CD2 3.47Å; Y375-F379 WeakPolarHBondContact O-CE2 3.33Å
376P94.8Very high89.7Confident27 Ų2776.4 Ų76.418%0.17541%0.412CS..G310 helixtrans-58.1-36.2-169-27.135.2000114.5Y373 Q374 S378 F379 A382 W383 V384Y373-P376 WeakPolarHBondContact OH-CD 3.37Å; Q374-P376 VanDerWaalsContact O-CD 3.25Å; Q374-P376 WeakPolarHBondContact O-CD 3.27Å; P376-S378 PolarHBondContact O-N 3.28Å; P376-S378 VanDerWaalsContact O-N 3.13Å; P376-F379 PolarHBondContact O-N 2.91Å; P376-A382 VanDerWaalsContact CB-O 3.27Å; P376-A382 WeakPolarHBondContact CB-O 3.25Å; P376-A382 CarbonylContact O-C 3.44Å; P376-A382 VanDerWaalsContact O-CA 3.22Å; P376-A382 WeakPolarHBondContact O-CA 3.44Å; P376-W383 PolarHBondContact O-N 3.21Å; P376-V384 HydrophobicContact CB-CG1 4.28Å; P376-V384 HydrophobicContact CG-CG1 4.08Å
377H95.2Very high90.4Very high134 Ų13475.6 Ų75.662%0.6239%0.393SS*.G310 helixtrans-65.3-14.2179-68.7-74.7000114.4Y375 F379Y375-H377 VanDerWaalsContact C-N 3.3Å; Y375-H377 HydrophobicContact CD1-CB 4.14Å; Y375-H377 HydrophobicContact CE1-CB 3.62Å; Y375-H377 HydrophobicContact CE2-CB 4.48Å; Y375-H377 AromaticContact CE2-CD2 3.76Å; Y375-H377 AromaticContact CZ-CD2 3.53Å; Y375-H377 PolarHBondContact O-N 3.13Å; Y375-H377 VanDerWaalsContact O-N 3.16Å; Y375-H377 PolarHBondContact OH-CD2 2.99Å; Y375-H377 VanDerWaalsContact OH-CD2 3.3Å; H377-F379 VanDerWaalsContact C-N 3.29Å
378S95.8Very high91.1Very high94 Ų9475.7 Ų75.766%0.65739%0.386SS*.G310 helixtrans-81.6-7.5172.6-61.20000113.4Y375 P376Y375-S378 WeakPolarHBondContact O-CB 3.29Å; Y375-S378 PolarHBondContact O-N 3.16Å; P376-S378 PolarHBondContact O-N 3.28Å; P376-S378 VanDerWaalsContact O-N 3.13Å
379F93.4Very high91.9Very high78 Ų7874.1 Ų74.134%0.34238%0.378SS..SBendtrans-108160.4-178.1-63.7-98.3000111.1Q374 Y375 P376 H377 A382 W383 V384Q374-F379 HydrophobicContact CB-CE2 3.77Å; Q374-F379 HydrophobicContact CB-CZ 3.85Å; Q374-F379 HydrophobicContact CG-CZ 4.22Å; Q374-F379 VanDerWaalsContact OE1-CZ 3.32Å; Y375-F379 VanDerWaalsContact O-CD2 3.24Å; Y375-F379 WeakPolarHBondContact O-CD2 3.47Å; Y375-F379 WeakPolarHBondContact O-CE2 3.33Å; P376-F379 PolarHBondContact O-N 2.91Å; H377-F379 VanDerWaalsContact C-N 3.29Å; F379-A382 WeakPolarHBondContact O-CA 3.22Å; F379-A382 PolarHBondContact O-N 3.34Å; F379-W383 WeakPolarHBondContact CB-O 3.25Å; F379-V384 HydrophobicContact CB-CB 4.35Å; F379-V384 HydrophobicContact CD1-CB 4.16Å; F379-V384 HydrophobicContact CD1-CG2 3.85Å; F379-V384 HydrophobicContact CD2-CB 3.69Å; F379-V384 HydrophobicContact CD2-CG1 4.25Å; F379-V384 HydrophobicContact CD2-CG2 3.96Å; F379-V384 HydrophobicContact CE1-CB 4.39Å; F379-V384 HydrophobicContact CE1-CG2 3.67Å; F379-V384 HydrophobicContact CE2-CB 3.97Å; F379-V384 HydrophobicContact CE2-CG1 4.34Å; F379-V384 HydrophobicContact CE2-CG2 3.82Å; F379-V384 HydrophobicContact CG-CB 3.8Å; F379-V384 HydrophobicContact CG-CG2 3.99Å; F379-V384 HydrophobicContact CZ-CB 4.31Å; F379-V384 HydrophobicContact CZ-CG2 3.67Å
380E92.4Very high92.6Very high165 Ų16570.6 Ų70.677%0.77137%0.367SS*.G310 helixtrans-56.5142175.8-164-172.5157.200111.1A382 W383E380-A382 PolarHBondContact O-N 3.28Å; E380-A382 VanDerWaalsContact O-N 3.09Å; E380-W383 PolarHBondContact O-N 3.2Å
381N91.3Very high93.2Very high89 Ų8975.7 Ų75.748%0.47639%0.391SS..G310 helixtrans58.614.5-173.9-54.1-66.8000114.8W383 W421N381-W383 PolarHBondContact O-N 2.87Å; N381-W421 HydrophobicContact CB-CH2 3.58Å; N381-W421 HydrophobicContact CB-CZ2 3.98Å; N381-W421 HydrophobicContact CB-CZ3 4.2Å
382A94Very high93.7Very high46 Ų4678.1 Ų78.138%0.3840%0.395SS..G310 helixtrans55.634-173.200000113.3P376 F379 E380P376-A382 VanDerWaalsContact CB-O 3.27Å; P376-A382 WeakPolarHBondContact CB-O 3.25Å; P376-A382 CarbonylContact O-C 3.44Å; P376-A382 VanDerWaalsContact O-CA 3.22Å; P376-A382 WeakPolarHBondContact O-CA 3.44Å; F379-A382 WeakPolarHBondContact O-CA 3.22Å; F379-A382 PolarHBondContact O-N 3.34Å; E380-A382 PolarHBondContact O-N 3.28Å; E380-A382 VanDerWaalsContact O-N 3.09Å
383W93.8Very high94Very high51 Ų5176.7 Ų76.719%0.19337%0.374CS..  trans-133.3140.7-176.8179.286.6000111.8P376 F379 E380 N381 D385 W421 K422P376-W383 PolarHBondContact O-N 3.21Å; F379-W383 WeakPolarHBondContact CB-O 3.25Å; E380-W383 PolarHBondContact O-N 3.2Å; N381-W383 PolarHBondContact O-N 2.87Å; W383-D385 HydrophobicContact CH2-CB 3.52Å; W383-D385 HydrophobicContact CZ2-CB 4.02Å; W383-D385 HydrophobicContact CZ3-CB 4.12Å; W383-W421 HydrophobicContact CB-CE3 4.03Å; W383-W421 HydrophobicContact CB-CZ3 3.8Å; W383-W421 HydrophobicContact CD2-CB 4.43Å; W383-W421 AromaticContact CD2-CE3 3.71Å; W383-W421 HydrophobicContact CD2-CE3 3.71Å; W383-W421 HydrophobicContact CD2-CZ3 4.39Å; W383-W421 HydrophobicContact CE3-CB 4.03Å; W383-W421 HydrophobicContact CE3-CD2 4.48Å; W383-W421 HydrophobicContact CE3-CE3 4.03Å; W383-W421 AromaticContact CG-CE3 3.7Å; W383-W421 HydrophobicContact CG-CE3 3.7Å; W383-W421 AromaticContact CG-CZ3 3.9Å; W383-W421 HydrophobicContact CG-CZ3 3.9Å; W383-W421 HydrophobicContact CH2-CB 3.66Å; W383-W421 HydrophobicContact CZ2-CB 4.14Å; W383-W421 HydrophobicContact CZ3-CB 3.62Å; W383-K422 HydrophobicContact CH2-CG 4.13Å; W383-K422 HydrophobicContact CZ2-CG 3.64Å
384V93.7Very high94.1Very high3 Ų377.2 Ų77.22%0.01838%0.379CS..  trans-137.8136.6175.864.90000110.2Q374 P376 F379 Q386Q374-V384 HydrophobicContact CB-CB 4.49Å; Q374-V384 HydrophobicContact CB-CG1 3.94Å; Q374-V384 HydrophobicContact CB-CG2 3.91Å; P376-V384 HydrophobicContact CB-CG1 4.28Å; P376-V384 HydrophobicContact CG-CG1 4.08Å; F379-V384 HydrophobicContact CB-CB 4.35Å; F379-V384 HydrophobicContact CD1-CB 4.16Å; F379-V384 HydrophobicContact CD1-CG2 3.85Å; F379-V384 HydrophobicContact CD2-CB 3.69Å; F379-V384 HydrophobicContact CD2-CG1 4.25Å; F379-V384 HydrophobicContact CD2-CG2 3.96Å; F379-V384 HydrophobicContact CE1-CB 4.39Å; F379-V384 HydrophobicContact CE1-CG2 3.67Å; F379-V384 HydrophobicContact CE2-CB 3.97Å; F379-V384 HydrophobicContact CE2-CG1 4.34Å; F379-V384 HydrophobicContact CE2-CG2 3.82Å; F379-V384 HydrophobicContact CG-CB 3.8Å; F379-V384 HydrophobicContact CG-CG2 3.99Å; F379-V384 HydrophobicContact CZ-CB 4.31Å; F379-V384 HydrophobicContact CZ-CG2 3.67Å; V384-Q386 HydrophobicContact CG1-CB 4.35Å; V384-Q386 PolarHBondContact O-N 2.77Å; V384-Q386 VanDerWaalsContact O-N 3.14Å
385D92.9Very high94.1Very high64 Ų6479.4 Ų79.434%0.34239%0.393SS..  trans-74.7102.1173-165.921.4000109.5W383 K425W383-D385 HydrophobicContact CH2-CB 3.52Å; W383-D385 HydrophobicContact CZ2-CB 4.02Å; W383-D385 HydrophobicContact CZ3-CB 4.12Å; D385-K425 HydrophobicContact CB-CD 4.07Å
386Q93.8Very high94.2Very high20 Ų2074.5 Ų74.59%0.09338%0.378CS..  trans-142.5140.5-179.6-179.2179.6-9900107.9H355 V384 Y388H355-Q386 WeakPolarHBondContact NE2-CG 3.47Å; V384-Q386 HydrophobicContact CG1-CB 4.35Å; V384-Q386 PolarHBondContact O-N 2.77Å; V384-Q386 VanDerWaalsContact O-N 3.14Å; Q386-Y388 HydrophobicContact CB-CE2 4.09Å; Q386-Y388 WeakPolarHBondContact O-CD2 3.24Å; Q386-Y388 WeakPolarHBondContact O-CE2 3.38Å; Q386-Y388 PolarHBondContact O-N 3.25Å
387Q94.1Very high94.2Very high76 Ų7679.2 Ų79.236%0.35540%0.398SS..  trans-68.4122.5174.2-177179-34.200110.1H355 L389 D391H355-Q387 PolarHBondContact CE1-O 3.25Å; H355-Q387 PolarHBondContact NE2-O 3.41Å; Q387-L389 VanDerWaalsContact CG-O 3.23Å; Q387-L389 WeakPolarHBondContact CG-O 3.3Å; Q387-L389 PolarHBondContact NE2-O 3.2Å; Q387-D391 PolarHBondContact NE2-OD1 2.84Å
388Y95.3Very high94.3Very high107 Ų10775.6 Ų75.642%0.4238%0.379SS..  trans-104.2-33.5175.4-68-82.5000112.8L356 Q386L356-Y388 HydrophobicContact CD1-CD1 4.13Å; L356-Y388 VanDerWaalsContact CD1-O 3.25Å; L356-Y388 WeakPolarHBondContact CD1-O 3.45Å; L356-Y388 HydrophobicContact CD2-CD1 3.8Å; L356-Y388 HydrophobicContact CD2-CE1 4Å; Q386-Y388 HydrophobicContact CB-CE2 4.09Å; Q386-Y388 WeakPolarHBondContact O-CD2 3.24Å; Q386-Y388 WeakPolarHBondContact O-CE2 3.38Å; Q386-Y388 PolarHBondContact O-N 3.25Å
389L96Very high94.4Very high55 Ų5573.6 Ų73.629%0.28836%0.358SS..SBendtrans-78146.8177.6-69.7174.1000111.1Q387 I393 A396Q387-L389 VanDerWaalsContact CG-O 3.23Å; Q387-L389 WeakPolarHBondContact CG-O 3.3Å; Q387-L389 PolarHBondContact NE2-O 3.2Å; L389-I393 VanDerWaalsContact CD1-O 3.28Å; L389-I393 WeakPolarHBondContact CD1-O 3.41Å; L389-I393 HydrophobicContact CD2-CD1 4.27Å; L389-A396 HydrophobicContact CD1-CB 4.28Å
390P95.9Very high94.5Very high19 Ų1977.3 Ų77.312%0.12338%0.376CS..  trans-53.2150168.9-31.340.2000112.9A349 E351 K392 I393 K394A349-P390 WeakPolarHBondContact O-CB 3.13Å; A349-P390 VanDerWaalsContact O-CG 3.27Å; A349-P390 WeakPolarHBondContact O-CG 3.36Å; E351-P390 WeakPolarHBondContact O-CB 3.46Å; E351-P390 WeakPolarHBondContact O-CG 3.33Å; P390-K392 PolarHBondContact O-N 3.4Å; P390-I393 HydrophobicContact CB-CG1 4.08Å; P390-I393 HydrophobicContact CG-CD1 4.43Å; P390-I393 HydrophobicContact CG-CG1 4.28Å; P390-I393 CarbonylContact O-C 3.36Å; P390-I393 PolarHBondContact O-N 3.02Å; P390-K394 WeakPolarHBondContact O-CA 3.34Å; P390-K394 PolarHBondContact O-N 3.12Å
391D95.1Very high94.7Very high124 Ų12471.5 Ų71.566%0.66335%0.353SS*.G310 helixtrans-51.6-36.4-179.4-69.9-24.7000113.3Q387 I393Q387-D391 PolarHBondContact NE2-OD1 2.84Å; D391-I393 VanDerWaalsContact C-N 3.25Å; D391-I393 PolarHBondContact O-N 3.18Å
392K94.2Very high95Very high122 Ų12271.3 Ų71.353%0.5335%0.347SS..G310 helixtrans-63.7-28.9-179.3-169.8173.2179.9-178.70113.4G347 N348 P390G347-K392 PolarHBondContact O-NZ 3.41Å; N348-K392 WeakPolarHBondContact OD1-CE 3.35Å; N348-K392 PolarHBondContact OD1-NZ 2.8Å; P390-K392 PolarHBondContact O-N 3.4Å
393I94.8Very high95Very high27 Ų2772.5 Ų72.514%0.13836%0.357CS..G310 helixtrans-130.327.3-17655.3165.2000111.6N348 L389 P390 D391 D395 A396N348-I393 HydrophobicContact CB-CG2 4.15Å; N348-I393 WeakPolarHBondContact O-CG2 3.43Å; L389-I393 VanDerWaalsContact CD1-O 3.28Å; L389-I393 WeakPolarHBondContact CD1-O 3.41Å; L389-I393 HydrophobicContact CD2-CD1 4.27Å; P390-I393 HydrophobicContact CB-CG1 4.08Å; P390-I393 HydrophobicContact CG-CD1 4.43Å; P390-I393 HydrophobicContact CG-CG1 4.28Å; P390-I393 CarbonylContact O-C 3.36Å; P390-I393 PolarHBondContact O-N 3.02Å; D391-I393 VanDerWaalsContact C-N 3.25Å; D391-I393 PolarHBondContact O-N 3.18Å; I393-D395 PolarHBondContact O-N 3.31Å; I393-D395 VanDerWaalsContact O-N 3.13Å; I393-A396 HydrophobicContact CB-CB 4.04Å; I393-A396 VanDerWaalsContact O-CB 3.28Å; I393-A396 WeakPolarHBondContact O-CB 3.47Å; I393-A396 PolarHBondContact O-N 3.41Å
394K94.4Very high95Very high116 Ų11673.7 Ų73.750%0.50437%0.371SS..THydrogen-bonded Turntrans-59.2-28.5-17467.8-179.2-174.5173.20113.6P390P390-K394 WeakPolarHBondContact O-CA 3.34Å; P390-K394 PolarHBondContact O-N 3.12Å
395D92.9Very high95.1Very high123 Ų12373.8 Ų73.866%0.65837%0.372SS*.THydrogen-bonded Turntrans-102.112.6-178.8-53.5-52.8000112.3I393 H397I393-D395 PolarHBondContact O-N 3.31Å; I393-D395 VanDerWaalsContact O-N 3.13Å; D395-H397 PolarHBondContact O-CD2 3.38Å
396A95.2Very high95.3Very high24 Ų2479.5 Ų79.520%0.19839%0.394CS..  trans-72.7136.5179.200000111.5L389 I393 Y398L389-A396 HydrophobicContact CD1-CB 4.28Å; I393-A396 HydrophobicContact CB-CB 4.04Å; I393-A396 VanDerWaalsContact O-CB 3.28Å; I393-A396 WeakPolarHBondContact O-CB 3.47Å; I393-A396 PolarHBondContact O-N 3.41Å; A396-Y398 HydrophobicContact CB-CE1 4.27Å; A396-Y398 HydrophobicContact CB-CE2 4.06Å
397H95Very high95.5Very high127 Ų12784.6 Ų84.659%0.58841%0.413SS*.  trans-122.4112.2177.1-65.2-85.5000109.2D395D395-H397 PolarHBondContact O-CD2 3.38Å
398Y96.7Very high95.7Very high57 Ų5781 Ų8122%0.22440%0.396CS..  trans-103.6-39-177.9-58.2-60.2000113.4A336 A339 A340 D343 A396A336-Y398 WeakPolarHBondContact CA-O 3.47Å; A336-Y398 WeakPolarHBondContact CB-O 3.33Å; A339-Y398 HydrophobicContact CB-CD1 3.83Å; A340-Y398 HydrophobicContact CB-CD1 4.15Å; A340-Y398 HydrophobicContact CB-CD2 4.12Å; A340-Y398 HydrophobicContact CB-CE1 4.05Å; A340-Y398 HydrophobicContact CB-CE2 4.02Å; A340-Y398 HydrophobicContact CB-CG 4.18Å; D343-Y398 WeakPolarHBondContact OD2-CE1 3.28Å; D343-Y398 PolarHBondContact OD2-OH 3.05Å; A396-Y398 HydrophobicContact CB-CE1 4.27Å; A396-Y398 HydrophobicContact CB-CE2 4.06Å
399Y97.4Very high95.8Very high53 Ų5379.9 Ų79.921%0.20840%0.395CS..  trans-95.6122.3-172.8176.4-113.6000111.5L289 A336 P401 Y415L289-Y399 HydrophobicContact CD1-CE2 3.85Å; L289-Y399 WeakPolarHBondContact CD1-OH 3.1Å; A336-Y399 HydrophobicContact CB-CD2 4.41Å; Y399-P401 HydrophobicContact CE1-CB 3.91Å; Y399-P401 HydrophobicContact CE1-CG 4.28Å; Y399-Y415 HydrophobicContact CD1-CD2 4.16Å; Y399-Y415 HydrophobicContact CD1-CE2 4.27Å
400E96.7Very high95.9Very high156 Ų15679.8 Ų79.873%0.72940%0.402SS*.  trans-119.2106.9173-66.7-174.7174.300109.6S332S332-E400 WeakPolarHBondContact CB-O 3.06Å
401P96.4Very high96Very high42 Ų4281.6 Ų81.627%0.27341%0.41SS..  trans-67.4137.2-178.726.4-33.2000111.3Y399 Y415Y399-P401 HydrophobicContact CE1-CB 3.91Å; Y399-P401 HydrophobicContact CE1-CG 4.28Å; P401-Y415 HydrophobicContact CG-CD1 4.22Å
402K96.4Very high96.1Very high85 Ų8576 Ų7637%0.3738%0.382SS..  trans-93.8153.5171.8-61.2-174.3173.2-171.80111.8N331 T404 E408N331-K402 WeakPolarHBondContact OD1-CE 3.38Å; N331-K402 PolarHBondContact OD1-NZ 2.91Å; K402-T404 HydrophobicContact CB-CG2 4.49Å; K402-E408 WeakPolarHBondContact CB-OE1 3.35Å; K402-E408 VanDerWaalsContact N-CD 3.31Å; K402-E408 PolarHBondContact N-OE1 3Å; K402-E408 WeakPolarHBondContact O-CB 3.16Å; K402-E408 VanDerWaalsContact O-CG 3.25Å; K402-E408 WeakPolarHBondContact O-CG 2.98Å
403A94.8Very high96.3Very high71 Ų7176.4 Ų76.459%0.58739%0.385SS*.SBendtrans-99.719.8177.900000113.2Q409A403-Q409 HydrophobicContact CB-CG 3.95Å; A403-Q409 PolarHBondContact O-NE2 2.82Å
404T94.4Very high96.4Very high77 Ų7779.1 Ų79.147%0.47240%0.397SS..SBendtrans-76.4-32.5-174.651.70000113.1P328 K329 K402P328-T404 WeakPolarHBondContact CB-O 3.27Å; K329-T404 WeakPolarHBondContact O-CB 3.28Å; K329-T404 PolarHBondContact O-OG1 3.33Å; K402-T404 HydrophobicContact CB-CG2 4.49Å
405G95.3Very high96.5Very high4 Ų476.8 Ų76.84%0.04139%0.386CS..SBendtrans-122.2150.1178.500000112.6Y407 E408 Q409G405-Y407 PolarHBondContact O-N 3.03Å; G405-E408 PolarHBondContact O-N 2.95Å; G405-Q409 VanDerWaalsContact O-CG 3.3Å; G405-Q409 WeakPolarHBondContact O-CG 3.4Å; G405-Q409 PolarHBondContact O-N 3.39Å
406K96.7Very high96.6Very high185 Ų18576.8 Ų76.880%0.80438%0.382SS*.Hα-helixtrans-57.9-36.5-179.6-67.1-176.3-180179.50112.9A410K406-A410 PolarHBondContact O-N 3.22Å; K406-A410 VanDerWaalsContact O-N 3.16Å
407Y97.6Very high96.6Very high127 Ų12781.4 Ų81.450%0.49839%0.394SS..Hα-helixtrans-66.7-51.3179.8-175.4-89.8000111.2L289 P292 G405 Q409 A410 L411L289-Y407 HydrophobicContact CD2-CE1 4.23Å; L289-Y407 VanDerWaalsContact O-CD1 3.28Å; L289-Y407 WeakPolarHBondContact O-CD1 3.44Å; P292-Y407 HydrophobicContact CG-CD1 3.47Å; P292-Y407 VanDerWaalsContact CG-CD1 3.47Å; P292-Y407 HydrophobicContact CG-CD2 4.29Å; P292-Y407 HydrophobicContact CG-CE1 3.58Å; P292-Y407 HydrophobicContact CG-CE2 4.4Å; P292-Y407 HydrophobicContact CG-CG 3.84Å; G405-Y407 PolarHBondContact O-N 3.03Å; Y407-Q409 VanDerWaalsContact C-N 3.33Å; Y407-Q409 PolarHBondContact O-N 3.03Å; Y407-A410 WeakPolarHBondContact O-CB 3.2Å; Y407-A410 PolarHBondContact O-N 3.37Å; Y407-A410 VanDerWaalsContact O-N 3.13Å; Y407-L411 HydrophobicContact CD1-CD1 3.97Å; Y407-L411 HydrophobicContact CD1-CG 4.24Å; Y407-L411 HydrophobicContact CE1-CD1 3.55Å; Y407-L411 HydrophobicContact CE1-CD2 4.39Å; Y407-L411 HydrophobicContact CE1-CG 3.96Å; Y407-L411 PolarHBondContact O-N 3.2Å
408E97.9Very high96.6Very high0 Ų077.5 Ų77.50%038%0.377CS..Hα-helixtrans-66.3-33.6178.4-161.4176.1177.200112.8L289 S330 S332 K402 G405 A410 L411 G412L289-E408 HydrophobicContact CB-CB 4.17Å; L289-E408 HydrophobicContact CB-CG 3.95Å; L289-E408 PolarHBondContact O-N 3.35Å; S330-E408 WeakPolarHBondContact CB-OE2 3.39Å; S330-E408 VanDerWaalsContact OG-CD 3.26Å; S330-E408 PolarHBondContact OG-OE1 3.39Å; S330-E408 VanDerWaalsContact OG-OE1 3.12Å; S330-E408 PolarHBondContact OG-OE2 3.16Å; S332-E408 VanDerWaalsContact CB-OE1 3.24Å; S332-E408 WeakPolarHBondContact CB-OE1 3.43Å; S332-E408 PolarHBondContact OG-OE1 2.72Å; K402-E408 WeakPolarHBondContact CB-OE1 3.35Å; K402-E408 VanDerWaalsContact N-CD 3.31Å; K402-E408 PolarHBondContact N-OE1 3Å; K402-E408 WeakPolarHBondContact O-CB 3.16Å; K402-E408 VanDerWaalsContact O-CG 3.25Å; K402-E408 WeakPolarHBondContact O-CG 2.98Å; G405-E408 PolarHBondContact O-N 2.95Å; E408-A410 VanDerWaalsContact C-N 3.31Å; E408-A410 PolarHBondContact O-N 3.43Å; E408-L411 CarbonylContact O-C 3.58Å; E408-L411 WeakPolarHBondContact O-CB 3.2Å; E408-L411 PolarHBondContact O-N 3.42Å; E408-G412 PolarHBondContact O-N 2.73Å
409Q97.8Very high96.4Very high84 Ų8476.5 Ų76.539%0.39338%0.375SS..Hα-helixtrans-56.6-44.8169.9-75.4175.33.300111.8A403 G405 Y407 G412 Q413A403-Q409 HydrophobicContact CB-CG 3.95Å; A403-Q409 PolarHBondContact O-NE2 2.82Å; G405-Q409 VanDerWaalsContact O-CG 3.3Å; G405-Q409 WeakPolarHBondContact O-CG 3.4Å; G405-Q409 PolarHBondContact O-N 3.39Å; Y407-Q409 VanDerWaalsContact C-N 3.33Å; Y407-Q409 PolarHBondContact O-N 3.03Å; Q409-G412 PolarHBondContact O-N 3.11Å; Q409-Q413 WeakPolarHBondContact O-CG 3.43Å; Q409-Q413 PolarHBondContact O-N 3.14Å
410A98.1Very high96.2Very high52 Ų5279.1 Ų79.143%0.4339%0.389SS..Hα-helixtrans-65-39.2176.900000111.8K406 Y407 E408 G412 Q413 Q414K406-A410 PolarHBondContact O-N 3.22Å; K406-A410 VanDerWaalsContact O-N 3.16Å; Y407-A410 WeakPolarHBondContact O-CB 3.2Å; Y407-A410 PolarHBondContact O-N 3.37Å; Y407-A410 VanDerWaalsContact O-N 3.13Å; E408-A410 VanDerWaalsContact C-N 3.31Å; E408-A410 PolarHBondContact O-N 3.43Å; A410-G412 VanDerWaalsContact C-N 3.33Å; A410-Q413 PolarHBondContact O-N 3.3Å; A410-Q414 PolarHBondContact O-N 2.84Å
411L97.9Very high96.1Very high58 Ų5873.5 Ų73.530%0.30436%0.361SS..Hα-helixtrans-62.1-41.2171.6-67.3-177.4000111.9L289 Y407 E408 Q414 Y415L289-L411 HydrophobicContact CB-CD1 4.49Å; L289-L411 HydrophobicContact CD1-CD1 3.96Å; L289-L411 HydrophobicContact CD2-CD1 3.94Å; L289-L411 HydrophobicContact CG-CD1 4.36Å; Y407-L411 HydrophobicContact CD1-CD1 3.97Å; Y407-L411 HydrophobicContact CD1-CG 4.24Å; Y407-L411 HydrophobicContact CE1-CD1 3.55Å; Y407-L411 HydrophobicContact CE1-CD2 4.39Å; Y407-L411 HydrophobicContact CE1-CG 3.96Å; Y407-L411 PolarHBondContact O-N 3.2Å; E408-L411 CarbonylContact O-C 3.58Å; E408-L411 WeakPolarHBondContact O-CB 3.2Å; E408-L411 PolarHBondContact O-N 3.42Å; L411-Q414 PolarHBondContact O-N 3.35Å; L411-Y415 VanDerWaalsContact O-CB 3.31Å; L411-Y415 WeakPolarHBondContact O-CB 3.23Å; L411-Y415 PolarHBondContact O-N 3.29Å
412G97.7Very high95.8Very high7 Ų775.6 Ų75.67%0.07237%0.366CS..Hα-helixtrans-62.9-41.417700000112.8E408 Q409 A410 Y415 Q416E408-G412 PolarHBondContact O-N 2.73Å; Q409-G412 PolarHBondContact O-N 3.11Å; A410-G412 VanDerWaalsContact C-N 3.33Å; G412-Y415 PolarHBondContact O-N 3.33Å; G412-Q416 WeakPolarHBondContact O-CG 3.31Å; G412-Q416 PolarHBondContact O-N 2.74Å
413Q97.7Very high95.4Very high129 Ų12979.6 Ų79.660%0.60338%0.383SS*.Hα-helixtrans-62.7-44173.7-70.5169.915.200111.6Q409 A410 Y415 Q416 R417Q409-Q413 WeakPolarHBondContact O-CG 3.43Å; Q409-Q413 PolarHBondContact O-N 3.14Å; A410-Q413 PolarHBondContact O-N 3.3Å; Q413-Y415 VanDerWaalsContact C-N 3.35Å; Q413-Q416 PolarHBondContact O-N 2.89Å; Q413-R417 WeakPolarHBondContact O-CB 3.42Å; Q413-R417 PolarHBondContact O-N 2.76Å
414Q96.9Very high94.7Very high84 Ų8484 Ų8439%0.39339%0.389SS..Hα-helixtrans-66-39.1176.6-178.358.417.500111.9A410 L411 R417 I418A410-Q414 PolarHBondContact O-N 2.84Å; L411-Q414 PolarHBondContact O-N 3.35Å; Q414-R417 PolarHBondContact O-N 2.86Å; Q414-I418 HydrophobicContact CG-CD1 4.18Å; Q414-I418 WeakPolarHBondContact O-CG1 3.49Å; Q414-I418 PolarHBondContact O-N 3.35Å
415Y96.4Very high93.2Very high68 Ų6889.1 Ų89.127%0.26741%0.405SS..Hα-helixtrans-60.3-48.5175-177-100.7000111.1Y399 P401 L411 G412 Q413 R417 I418 E419Y399-Y415 HydrophobicContact CD1-CD2 4.16Å; Y399-Y415 HydrophobicContact CD1-CE2 4.27Å; P401-Y415 HydrophobicContact CG-CD1 4.22Å; L411-Y415 VanDerWaalsContact O-CB 3.31Å; L411-Y415 WeakPolarHBondContact O-CB 3.23Å; L411-Y415 PolarHBondContact O-N 3.29Å; G412-Y415 PolarHBondContact O-N 3.33Å; Q413-Y415 VanDerWaalsContact C-N 3.35Å; Y415-R417 PolarHBondContact O-N 3.44Å; Y415-I418 PolarHBondContact O-N 3.47Å; Y415-E419 HydrophobicContact CD1-CG 4.37Å; Y415-E419 HydrophobicContact CE1-CG 4.03Å; Y415-E419 WeakPolarHBondContact O-CG 3.34Å; Y415-E419 PolarHBondContact O-N 3.02Å
416Q95.8Very high93.1Very high122 Ų12293.4 Ų93.457%0.5742%0.423SS*.Hα-helixtrans-60.4-42.6175.6-73.1173.9-500112.4G412 Q413 I418 E419 E420G412-Q416 WeakPolarHBondContact O-CG 3.31Å; G412-Q416 PolarHBondContact O-N 2.74Å; Q413-Q416 PolarHBondContact O-N 2.89Å; Q416-I418 VanDerWaalsContact C-N 3.29Å; Q416-I418 PolarHBondContact O-N 3.1Å; Q416-E419 PolarHBondContact O-N 3.37Å; Q416-E419 VanDerWaalsContact O-N 3.16Å; Q416-E420 WeakPolarHBondContact O-CG 3.48Å; Q416-E420 PolarHBondContact O-N 3.44Å
417R95.3Very high92.9Very high122 Ų12288.5 Ų88.546%0.4640%0.403SS..Hα-helixtrans-59.3-40176.2-174176.4-178.8179.6-3.4112.2Q413 Q414 Y415 E420 W421Q413-R417 WeakPolarHBondContact O-CB 3.42Å; Q413-R417 PolarHBondContact O-N 2.76Å; Q414-R417 PolarHBondContact O-N 2.86Å; Y415-R417 PolarHBondContact O-N 3.44Å; R417-E420 PolarHBondContact O-N 3.36Å; R417-W421 HydrophobicContact CG-CD2 4.45Å; R417-W421 HydrophobicContact CG-CH2 4.37Å; R417-W421 HydrophobicContact CG-CZ2 3.77Å; R417-W421 VanDerWaalsContact O-CG 3.26Å; R417-W421 PolarHBondContact O-N 3.44Å; R417-W421 VanDerWaalsContact O-N 3.11Å
418I94.8Very high92.6Very high44 Ų4486.4 Ų86.423%0.22640%0.397CS..Hα-helixtrans-66.5-43.2175.5-69.7164.2000110.8Q414 Y415 Q416 E420 W421 K422Q414-I418 HydrophobicContact CG-CD1 4.18Å; Q414-I418 WeakPolarHBondContact O-CG1 3.49Å; Q414-I418 PolarHBondContact O-N 3.35Å; Y415-I418 PolarHBondContact O-N 3.47Å; Q416-I418 VanDerWaalsContact C-N 3.29Å; Q416-I418 PolarHBondContact O-N 3.1Å; I418-E420 VanDerWaalsContact C-N 3.31Å; I418-E420 PolarHBondContact O-N 3.14Å; I418-W421 HydrophobicContact CB-CE3 4.43Å; I418-W421 HydrophobicContact CG1-CE3 3.99Å; I418-W421 HydrophobicContact CG1-CZ3 3.91Å; I418-W421 WeakPolarHBondContact O-CB 3.49Å; I418-W421 PolarHBondContact O-N 3.32Å; I418-W421 VanDerWaalsContact O-N 3.16Å; I418-K422 PolarHBondContact O-N 2.79Å; I418-K422 VanDerWaalsContact O-N 3.14Å
419E92.8Very high92.3Very high37 Ų3791.5 Ų91.517%0.17342%0.421CS..Hα-helixtrans-65-33.1176.3-68-59120.600112.5Y415 Q416 K422 K423Y415-E419 HydrophobicContact CD1-CG 4.37Å; Y415-E419 HydrophobicContact CE1-CG 4.03Å; Y415-E419 WeakPolarHBondContact O-CG 3.34Å; Y415-E419 PolarHBondContact O-N 3.02Å; Q416-E419 PolarHBondContact O-N 3.37Å; Q416-E419 VanDerWaalsContact O-N 3.16Å; E419-K422 PolarHBondContact O-N 3.29Å; E419-K422 WeakPolarHBondContact OE1-CE 3.32Å; E419-K422 IonicContact OE1-NZ 3.9Å; E419-K422 PolarHBondContact OE1-NZ 3.16Å; E419-K423 WeakPolarHBondContact O-CG 3.48Å; E419-K423 PolarHBondContact O-N 3.39Å
420E93.6Very high92Very high107 Ų10791.9 Ų91.950%0.542%0.423SS..Hα-helixtrans-66.8-36.4171.5-74.3178-175.500112.7Q416 R417 I418 K423 K424Q416-E420 WeakPolarHBondContact O-CG 3.48Å; Q416-E420 PolarHBondContact O-N 3.44Å; R417-E420 PolarHBondContact O-N 3.36Å; I418-E420 VanDerWaalsContact C-N 3.31Å; I418-E420 PolarHBondContact O-N 3.14Å; E420-K423 PolarHBondContact O-N 3.13Å; E420-K424 WeakPolarHBondContact O-CG 3.46Å; E420-K424 PolarHBondContact O-N 2.94Å
421W93.3Very high91.6Very high39 Ų3994.6 Ų94.615%0.14842%0.422CS..Hα-helixtrans-65.2-39.4175.5-64.7-24.7000112.2N381 W383 R417 I418 K423 K424N381-W421 HydrophobicContact CB-CH2 3.58Å; N381-W421 HydrophobicContact CB-CZ2 3.98Å; N381-W421 HydrophobicContact CB-CZ3 4.2Å; W383-W421 HydrophobicContact CB-CE3 4.03Å; W383-W421 HydrophobicContact CB-CZ3 3.8Å; W383-W421 HydrophobicContact CD2-CB 4.43Å; W383-W421 AromaticContact CD2-CE3 3.71Å; W383-W421 HydrophobicContact CD2-CE3 3.71Å; W383-W421 HydrophobicContact CD2-CZ3 4.39Å; W383-W421 HydrophobicContact CE3-CB 4.03Å; W383-W421 HydrophobicContact CE3-CD2 4.48Å; W383-W421 HydrophobicContact CE3-CE3 4.03Å; W383-W421 AromaticContact CG-CE3 3.7Å; W383-W421 HydrophobicContact CG-CE3 3.7Å; W383-W421 AromaticContact CG-CZ3 3.9Å; W383-W421 HydrophobicContact CG-CZ3 3.9Å; W383-W421 HydrophobicContact CH2-CB 3.66Å; W383-W421 HydrophobicContact CZ2-CB 4.14Å; W383-W421 HydrophobicContact CZ3-CB 3.62Å; R417-W421 HydrophobicContact CG-CD2 4.45Å; R417-W421 HydrophobicContact CG-CH2 4.37Å; R417-W421 HydrophobicContact CG-CZ2 3.77Å; R417-W421 VanDerWaalsContact O-CG 3.26Å; R417-W421 PolarHBondContact O-N 3.44Å; R417-W421 VanDerWaalsContact O-N 3.11Å; I418-W421 HydrophobicContact CB-CE3 4.43Å; I418-W421 HydrophobicContact CG1-CE3 3.99Å; I418-W421 HydrophobicContact CG1-CZ3 3.91Å; I418-W421 WeakPolarHBondContact O-CB 3.49Å; I418-W421 PolarHBondContact O-N 3.32Å; I418-W421 VanDerWaalsContact O-N 3.16Å; W421-K423 VanDerWaalsContact C-N 3.28Å; W421-K423 PolarHBondContact O-N 2.93Å; W421-K424 PolarHBondContact O-N 3.04Å
422K90.1Very high91.1Very high85 Ų8597.2 Ų97.237%0.3743%0.431SS..Hα-helixtrans-59.6-37.1174.6-70.2179.2-179.9170.60112.8W383 I418 E419 K424W383-K422 HydrophobicContact CH2-CG 4.13Å; W383-K422 HydrophobicContact CZ2-CG 3.64Å; I418-K422 PolarHBondContact O-N 2.79Å; I418-K422 VanDerWaalsContact O-N 3.14Å; E419-K422 PolarHBondContact O-N 3.29Å; E419-K422 WeakPolarHBondContact OE1-CE 3.32Å; E419-K422 IonicContact OE1-NZ 3.9Å; E419-K422 PolarHBondContact OE1-NZ 3.16Å; K422-K424 VanDerWaalsContact C-N 3.34Å; K422-K424 PolarHBondContact O-N 3.49Å
423K87.9Confident90.6Very high169 Ų169104.2 Ų104.274%0.73546%0.458SS*.Hα-helixtrans-76.1-17.2-178.9-68.3176-175177.60114.6E419 E420 W421E419-K423 WeakPolarHBondContact O-CG 3.48Å; E419-K423 PolarHBondContact O-N 3.39Å; E420-K423 PolarHBondContact O-N 3.13Å; W421-K423 VanDerWaalsContact C-N 3.28Å; W421-K423 PolarHBondContact O-N 2.93Å
424K80.8Confident90Very high165 Ų165102.1 Ų102.172%0.71745%0.446SS*.THydrogen-bonded Turntrans-87.8-6.9-176.7-75.1178.3-177.71760113.5E420 W421 K422E420-K424 WeakPolarHBondContact O-CG 3.46Å; E420-K424 PolarHBondContact O-N 2.94Å; W421-K424 PolarHBondContact O-N 3.04Å; K422-K424 VanDerWaalsContact C-N 3.34Å; K422-K424 PolarHBondContact O-N 3.49Å
425K62.5Low89.4Confident183 Ų183103.7 Ų103.780%0.79645%0.451SS*.  trans-105.40169.4-77.8-172.7170.7-175.10109.3D385D385-K425 HydrophobicContact CB-CD 4.07Å

Retrieved 425 of 425 residues in 453.3 ms (Link to these results)

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