A0A087XVR1_POEFO Loading...

MDM2 binding protein

AlphaFold DB , UniProt , Accession A0A087XVR1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 875 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
1M80.7Confident85.4Confident40 Ų4010.4 Ų10.420%0.1975%0.054CC..  0142.60-79.4171.1157.700106.8A61 G142 K143 L145 L217 W218 Y270M1-A61 WeakPolarHBondContact O-CB 3.49Å; M1-G142 VanDerWaalsContact CE-O 3.25Å; M1-G142 WeakPolarHBondContact CE-O 3.41Å; M1-K143 CarbonylContact C-O 3.45Å; M1-K143 WeakPolarHBondContact CA-O 3.48Å; M1-K143 WeakPolarHBondContact CB-O 3.45Å; M1-K143 WeakPolarHBondContact CG-O 3.29Å; M1-L145 HydrophobicContact CB-CD1 3.98Å; M1-L145 HydrophobicContact CB-CG 3.82Å; M1-L145 HydrophobicContact CG-CG 4.3Å; M1-L145 HydrophobicContact SD-CD1 3.86Å; M1-L145 HydrophobicContact SD-CD2 3.52Å; M1-L145 VanDerWaalsContact SD-CD2 3.52Å; M1-L145 HydrophobicContact SD-CG 3.48Å; M1-L145 WeakPolarHBondContact SD-CG 3.15Å; M1-L217 VanDerWaalsContact SD-O 3.34Å; M1-W218 HydrophobicContact CE-CG 4.45Å; M1-W218 HydrophobicContact SD-CB 4.31Å; M1-Y270 HydrophobicContact CE-CD2 3.98Å; M1-Y270 HydrophobicContact CE-CG 4.28Å; M1-Y270 HydrophobicContact CG-CD2 4.09Å; M1-Y270 HydrophobicContact CG-CE2 4.38Å
2D85.9Confident83.4Confident15 Ų1516 Ų168%0.088%0.08CC..EExtended strand (participates in β ladder)trans-73.4147.1175.5-57.4-47.4000109.7Y4 R62 Y64 K143 A144 L145D2-Y4 HydrophobicContact CB-CD2 4.43Å; D2-Y4 HydrophobicContact CB-CE2 3.79Å; D2-R62 CarbonylContact C-O 3.42Å; D2-R62 WeakPolarHBondContact CA-O 3.33Å; D2-R62 PolarHBondContact OD1-N 2.86Å; D2-R62 VanDerWaalsContact OD1-N 3.17Å; D2-Y64 HydrophobicContact CB-CD2 4.43Å; D2-Y64 HydrophobicContact CB-CE2 4.16Å; D2-K143 PolarHBondContact N-O 3.23Å; D2-K143 WeakPolarHBondContact OD2-CE 3.38Å; D2-K143 WeakPolarHBondContact OD2-CG 3.34Å; D2-K143 IonicContact OD2-NZ 3.16Å; D2-A144 CarbonylContact O-C 3.53Å; D2-A144 WeakPolarHBondContact O-CA 3.41Å; D2-L145 PolarHBondContact O-N 3.43Å
3R88.2Confident81Confident5 Ų519.8 Ų19.82%0.01913%0.125CC..EExtended strand (participates in β ladder)trans-106.1120.2-172.1-83.4-75.3179.5-178.76.5110R62 W63 Y64 D147 N213 E216 R219R3-R62 PolarHBondContact N-O 3.42Å; R3-W63 HydrophobicContact CB-CD2 3.52Å; R3-W63 HydrophobicContact CB-CE3 3.61Å; R3-W63 HydrophobicContact CB-CG 3.94Å; R3-W63 HydrophobicContact CB-CH2 4.32Å; R3-W63 HydrophobicContact CB-CZ2 4.24Å; R3-W63 HydrophobicContact CB-CZ3 4.02Å; R3-W63 HydrophobicContact CG-CD2 4.01Å; R3-W63 HydrophobicContact CG-CE3 4.21Å; R3-W63 HydrophobicContact CG-CH2 4.03Å; R3-W63 HydrophobicContact CG-CZ2 3.8Å; R3-W63 HydrophobicContact CG-CZ3 4.21Å; R3-W63 CarbonylContact O-C 3.5Å; R3-W63 WeakPolarHBondContact O-CA 3.39Å; R3-Y64 PolarHBondContact O-N 3.47Å; R3-D147 IonicContact CZ-OD2 3.49Å; R3-D147 IonicContact NH1-OD2 2.69Å; R3-D147 PolarHBondContact NH1-OD2 3.13Å; R3-N213 PolarHBondContact NH2-O 3.09Å; R3-E216 VanDerWaalsContact NH2-CB 3.3Å; R3-E216 PolarHBondContact NH2-O 2.88Å; R3-E216 IonicContact NH2-OE2 2.71Å; R3-R219 VanDerWaalsContact NH1-NH2 3.12Å
4Y90.8Very high78.1Confident19 Ų1929.6 Ų29.68%0.07518%0.176CC..EExtended strand (participates in β ladder)trans-116.9125.1178.3-71-97.2000109D2 Y64 W81 L138 P139 A144 L145 L146 D147D2-Y4 HydrophobicContact CB-CD2 4.43Å; D2-Y4 HydrophobicContact CB-CE2 3.79Å; Y4-Y64 WeakPolarHBondContact CA-O 3.17Å; Y4-Y64 VanDerWaalsContact CD1-CB 3.42Å; Y4-Y64 HydrophobicContact CD1-CD2 4.04Å; Y4-Y64 AromaticContact CD1-CG 3.91Å; Y4-Y64 HydrophobicContact CD1-CG 3.91Å; Y4-Y64 HydrophobicContact CD2-CD2 4.17Å; Y4-Y64 HydrophobicContact CE1-CD1 4.21Å; Y4-Y64 AromaticContact CE1-CD2 3.51Å; Y4-Y64 HydrophobicContact CE1-CD2 3.51Å; Y4-Y64 HydrophobicContact CE1-CE2 4.24Å; Y4-Y64 AromaticContact CE1-CG 3.49Å; Y4-Y64 HydrophobicContact CE1-CG 3.49Å; Y4-Y64 VanDerWaalsContact CE1-CG 3.49Å; Y4-Y64 AromaticContact CE2-CD2 3.66Å; Y4-Y64 HydrophobicContact CE2-CD2 3.66Å; Y4-Y64 HydrophobicContact CE2-CE2 4.15Å; Y4-Y64 HydrophobicContact CE2-CG 4.46Å; Y4-Y64 HydrophobicContact CG-CD2 4.35Å; Y4-Y64 AromaticContact CZ-CD2 3.29Å; Y4-Y64 AromaticContact CZ-CE2 3.7Å; Y4-Y64 AromaticContact CZ-CG 3.81Å; Y4-Y64 WeakPolarHBondContact OH-CE2 3.39Å; Y4-W81 HydrophobicContact CD1-CB 4.44Å; Y4-W81 AromaticContact CD1-CD2 3.63Å; Y4-W81 HydrophobicContact CD1-CD2 3.63Å; Y4-W81 AromaticContact CD1-CE3 3.64Å; Y4-W81 HydrophobicContact CD1-CE3 3.64Å; Y4-W81 HydrophobicContact CD1-CG 4Å; Y4-W81 HydrophobicContact CD1-CH2 4.49Å; Y4-W81 HydrophobicContact CD1-CZ3 4.09Å; Y4-W81 HydrophobicContact CE1-CB 4.22Å; Y4-W81 HydrophobicContact CE1-CD2 4.15Å; Y4-W81 HydrophobicContact CE1-CG 4.02Å; Y4-L138 HydrophobicContact CD1-CD2 3.33Å; Y4-L138 HydrophobicContact CD2-CD2 4.13Å; Y4-L138 HydrophobicContact CE1-CD2 3.73Å; Y4-L138 HydrophobicContact CE2-CD2 4.43Å; Y4-L138 HydrophobicContact CG-CD2 3.56Å; Y4-P139 HydrophobicContact CE2-CG 3.93Å; Y4-P139 WeakPolarHBondContact OH-CD 3.36Å; Y4-A144 HydrophobicContact CD2-CB 3.48Å; Y4-A144 VanDerWaalsContact CD2-CB 3.48Å; Y4-A144 HydrophobicContact CE2-CB 3.62Å; Y4-L145 PolarHBondContact N-O 2.93Å; Y4-L146 WeakPolarHBondContact O-CA 3.32Å; Y4-D147 PolarHBondContact O-N 3.48Å
5V91.3Very high75.3Confident0 Ų037.1 Ų37.10%022%0.215CC..EExtended strand (participates in β ladder)trans-121.4115.6179.9-175.20000109.6V7 L34 W63 Y64 F65 A66 D147 I212V5-V7 HydrophobicContact CG1-CG2 4.46Å; V5-L34 HydrophobicContact CB-CD1 4.02Å; V5-L34 HydrophobicContact CG1-CD1 3.96Å; V5-L34 HydrophobicContact CG2-CD1 4.15Å; V5-L34 HydrophobicContact CG2-CD2 4.11Å; V5-W63 HydrophobicContact CG2-CE3 4.29Å; V5-W63 HydrophobicContact CG2-CZ3 4.09Å; V5-Y64 PolarHBondContact N-O 2.96Å; V5-F65 HydrophobicContact CB-CD2 4.28Å; V5-F65 HydrophobicContact CG1-CD2 4.42Å; V5-F65 WeakPolarHBondContact O-CA 3.29Å; V5-A66 PolarHBondContact O-N 3.06Å; V5-D147 WeakPolarHBondContact CA-O 3.14Å; V5-I212 HydrophobicContact CB-CD1 4.48Å; V5-I212 HydrophobicContact CG1-CD1 3.64Å; V5-I212 HydrophobicContact CG2-CD1 3.93Å
6L91.8Very high73.1Confident0 Ų045 Ų450%025%0.249CC..EExtended strand (participates in β ladder)trans-102.4123.6172.6173.463.4000109.6L8 A66 W81 L131 L134 L146 D147 V148 L149 M173L6-L8 HydrophobicContact CD2-CD1 4.25Å; L6-L8 HydrophobicContact CD2-CG 4.39Å; L6-L8 HydrophobicContact CG-CG 4.33Å; L6-A66 WeakPolarHBondContact CA-O 3.38Å; L6-A66 HydrophobicContact CD1-CB 4.18Å; L6-W81 HydrophobicContact CB-CH2 4.03Å; L6-W81 HydrophobicContact CB-CZ3 4.31Å; L6-L131 HydrophobicContact CD1-CD2 4.28Å; L6-L131 HydrophobicContact CD2-CD2 3.8Å; L6-L134 HydrophobicContact CD1-CD1 4.27Å; L6-L146 HydrophobicContact CB-CD1 4.48Å; L6-D147 PolarHBondContact N-O 3.25Å; L6-V148 HydrophobicContact CB-CG1 4.41Å; L6-V148 HydrophobicContact CB-CG2 4.37Å; L6-V148 HydrophobicContact CD2-CG1 4.05Å; L6-V148 HydrophobicContact CD2-CG2 4.42Å; L6-V148 HydrophobicContact CG-CG1 4.29Å; L6-V148 WeakPolarHBondContact O-CA 3.35Å; L6-L149 PolarHBondContact O-N 3.17Å; L6-M173 HydrophobicContact CD2-CE 3.72Å; L6-M173 HydrophobicContact CD2-SD 3.8Å
7V89.6Confident71.3Confident0 Ų051.5 Ų51.50%028%0.283CS..EExtended strand (participates in β ladder)trans-102.7123.8170-173.80000109.7V5 L27 I30 F65 A66 V67 Q68 L151V5-V7 HydrophobicContact CG1-CG2 4.46Å; V7-L27 HydrophobicContact CB-CD1 3.63Å; V7-L27 HydrophobicContact CG1-CD1 3.57Å; V7-L27 HydrophobicContact CG2-CD1 4.1Å; V7-I30 HydrophobicContact CG1-CD1 4.12Å; V7-I30 HydrophobicContact CG2-CD1 4.04Å; V7-I30 HydrophobicContact CG2-CG2 4.04Å; V7-F65 HydrophobicContact CG2-CE2 3.64Å; V7-F65 HydrophobicContact CG2-CZ 4.02Å; V7-A66 PolarHBondContact N-O 3.24Å; V7-V67 WeakPolarHBondContact O-CA 3.3Å; V7-Q68 PolarHBondContact O-N 3.5Å; V7-L151 HydrophobicContact CG1-CD1 3.69Å; V7-L151 HydrophobicContact CG1-CG 4.03Å
8L87.9Confident69.3Low4 Ų455.9 Ų55.92%0.02131%0.311CS..EExtended strand (participates in β ladder)trans-108.1115.4176.3-83.2160.4000108.8L6 Q68 L131 V148 L149 L150 L151 L166 L170L6-L8 HydrophobicContact CD2-CD1 4.25Å; L6-L8 HydrophobicContact CD2-CG 4.39Å; L6-L8 HydrophobicContact CG-CG 4.33Å; L8-Q68 CarbonylContact C-O 3.59Å; L8-Q68 VanDerWaalsContact CA-O 3.28Å; L8-Q68 WeakPolarHBondContact CA-O 3.4Å; L8-Q68 HydrophobicContact CD2-CB 3.57Å; L8-Q68 HydrophobicContact CD2-CG 3.43Å; L8-Q68 VanDerWaalsContact CD2-CG 3.43Å; L8-Q68 HydrophobicContact CG-CB 4.45Å; L8-L131 HydrophobicContact CD1-CD1 4.16Å; L8-L131 HydrophobicContact CD2-CD1 3.97Å; L8-L131 HydrophobicContact CD2-CD2 4.26Å; L8-V148 HydrophobicContact CD1-CG1 3.64Å; L8-L149 PolarHBondContact N-O 2.92Å; L8-L150 HydrophobicContact CB-CB 4.44Å; L8-L150 HydrophobicContact CB-CD1 3.72Å; L8-L150 CarbonylContact O-C 3.48Å; L8-L150 WeakPolarHBondContact O-CA 3.17Å; L8-L151 PolarHBondContact O-N 2.9Å; L8-L166 HydrophobicContact CD2-CD1 4.36Å; L8-L170 HydrophobicContact CD1-CD1 4.49Å; L8-L170 HydrophobicContact CD1-CD2 3.68Å; L8-L170 HydrophobicContact CD1-CG 4.42Å
9S85.2Confident67.7Low4 Ų454.5 Ų54.53%0.02831%0.311CS..EExtended strand (participates in β ladder)trans-106.9125.3174-162.20000110.5Q68 C70S9-Q68 PolarHBondContact N-O 3.41Å; S9-C70 PolarHBondContact O-N 2.73Å
10F77.4Confident66.5Low6 Ų655.5 Ų55.53%0.02632%0.315CS..EExtended strand (participates in β ladder)trans-126110.9178.1-176.3-88.6000110.8Q12 C70 L120 L124 L150 L151 S153 A154 P158F10-Q12 HydrophobicContact CE1-CB 3.94Å; F10-Q12 HydrophobicContact CZ-CB 4.19Å; F10-C70 HydrophobicContact CD2-CB 3.98Å; F10-C70 HydrophobicContact CE2-CB 4.46Å; F10-L120 HydrophobicContact CE2-CD1 4.5Å; F10-L124 HydrophobicContact CE2-CD2 4.13Å; F10-L150 HydrophobicContact CB-CD1 4.49Å; F10-L151 PolarHBondContact N-O 2.7Å; F10-S153 PolarHBondContact O-N 3.13Å; F10-S153 PolarHBondContact O-OG 3.01Å; F10-A154 HydrophobicContact CD1-CB 3.78Å; F10-A154 HydrophobicContact CE1-CB 3.72Å; F10-P158 HydrophobicContact CE1-CG 3.66Å; F10-P158 HydrophobicContact CZ-CB 4.38Å; F10-P158 HydrophobicContact CZ-CG 3.78Å
11S70.3Confident65.6Low21 Ų2159.5 Ų59.515%0.14733%0.331CS..EExtended strand (participates in β ladder)trans-127.2134.7177.155.90000111.8C70 G72S11-C70 PolarHBondContact N-O 3.01Å; S11-C70 VanDerWaalsContact N-O 3.07Å; S11-G72 PolarHBondContact O-N 3.07Å
12Q61.6Low64.3Low78 Ų7864.2 Ų64.236%0.36435%0.35SS..  trans-142.998.7-174.9-177176.510.400108.3F10 A154F10-Q12 HydrophobicContact CE1-CB 3.94Å; F10-Q12 HydrophobicContact CZ-CB 4.19Å; Q12-A154 HydrophobicContact CB-CB 3.9Å
13G52.4Low62.9Low65 Ų6565.4 Ų65.467%0.6736%0.359SS*.  trans172.1134.8179.700000113.3D15G13-D15 VanDerWaalsContact C-N 3.28Å; G13-D15 PolarHBondContact O-N 3.29Å
14D40.1Very low61.8Low157 Ų15766 Ų6684%0.8436%0.363SS*.  trans-82.659.8-177.8-59-58.9000112.5H16D14-H16 PolarHBondContact O-N 3.03Å
15D36.3Very low61Low143 Ų14370.1 Ų70.177%0.76538%0.383SS*.  trans-74.566175.5-101.41.8000111.4G13 L17G13-D15 VanDerWaalsContact C-N 3.28Å; G13-D15 PolarHBondContact O-N 3.29Å; D15-L17 PolarHBondContact O-N 3.28Å
16H40.5Very low60.3Low163 Ų16372.3 Ų72.376%0.75540%0.397SS*.THydrogen-bonded Turntrans-54.3126.3169.5-91.3-61.2000110.7D14D14-H16 PolarHBondContact O-N 3.03Å
17L41.6Very low59.9Low156 Ų15672.4 Ų72.482%0.81740%0.397SS*.THydrogen-bonded Turntrans89.4-3.4156.9-56.2160.5000120.4D15D15-L17 PolarHBondContact O-N 3.28Å
18T35.2Very low59.5Low131 Ų13174.6 Ų74.680%0.80441%0.409SS*.SBendtrans-152.242.5174.4-10.30000119.8
19G39.3Very low59.3Low29 Ų2977.7 Ų77.730%0.29943%0.426SS..  trans-162.31.9-17700000122.2H21 K22G19-H21 VanDerWaalsContact C-N 3.27Å; G19-H21 PolarHBondContact O-N 2.8Å; G19-K22 PolarHBondContact O-N 3.39Å
20D43.8Very low59.3Low74 Ų7478 Ų7840%0.39643%0.427SS..THydrogen-bonded Turntrans-56.6-22.4-154.5-61.7-85.3000118.5R71D20-R71 IonicContact OD1-CZ 3.86Å; D20-R71 IonicContact OD1-NH1 3.6Å; D20-R71 IonicContact OD1-NH2 2.83Å; D20-R71 PolarHBondContact OD1-NH2 3.41Å
21H47.6Very low59.7Low139 Ų13978.8 Ų78.864%0.64443%0.43SS*.THydrogen-bonded Turntrans-96.2-18.4179.8-56-39.2000114.6G19 C23 L24 E25G19-H21 VanDerWaalsContact C-N 3.27Å; G19-H21 PolarHBondContact O-N 2.8Å; H21-C23 VanDerWaalsContact C-N 3.26Å; H21-C23 PolarHBondContact O-N 3.16Å; H21-L24 PolarHBondContact O-N 3.46Å; H21-E25 PolarHBondContact O-N 3.32Å; H21-E25 VanDerWaalsContact O-N 3.15Å
22K54.3Low60.4Low139 Ų13983.4 Ų83.460%0.60445%0.447SS*.THydrogen-bonded Turntrans-63.8-27.2-172.1-72.2176.8179.5166.50114.3G19 L24G19-K22 PolarHBondContact O-N 3.39Å; K22-L24 PolarHBondContact O-N 3.11Å
23C55.3Low61.5Low40 Ų4083.4 Ų83.427%0.2744%0.444SS..THydrogen-bonded Turntrans-75.5-12.5176.9-161.40000113.3H21 S153H21-C23 VanDerWaalsContact C-N 3.26Å; H21-C23 PolarHBondContact O-N 3.16Å; C23-S153 PolarHBondContact SG-OG 2.94Å
24L66.4Low63Low19 Ų1980.5 Ų80.510%0.09941%0.413CS..THydrogen-bonded Turntrans-114.4-9.5-179.2-62.9175.3000113.3H21 K22 P26 L27 N28 V69 L105 L108H21-L24 PolarHBondContact O-N 3.46Å; K22-L24 PolarHBondContact O-N 3.11Å; L24-P26 VanDerWaalsContact C-CD 3.47Å; L24-P26 VanDerWaalsContact C-N 3.32Å; L24-L27 HydrophobicContact CD2-CD2 4.17Å; L24-L27 WeakPolarHBondContact O-CB 3.45Å; L24-L27 PolarHBondContact O-N 2.95Å; L24-N28 PolarHBondContact O-N 2.87Å; L24-V69 HydrophobicContact CD2-CG1 4.5Å; L24-V69 HydrophobicContact CD2-CG2 4.14Å; L24-L105 HydrophobicContact CD1-CD2 3.56Å; L24-L105 HydrophobicContact CD1-CG 4.49Å; L24-L108 HydrophobicContact CD1-CD1 4.19Å
25E73.1Confident65.2Low105 Ų10575.9 Ų75.949%0.49139%0.388SS..Hα-helixtrans-48.3-47.1166.3-72.8167.6-169.600112.4H21 L27 N28 D29H21-E25 PolarHBondContact O-N 3.32Å; H21-E25 VanDerWaalsContact O-N 3.15Å; E25-L27 VanDerWaalsContact C-N 3.28Å; E25-L27 PolarHBondContact O-N 3.21Å; E25-N28 PolarHBondContact O-N 3.45Å; E25-D29 PolarHBondContact O-N 3.38Å; E25-D29 VanDerWaalsContact O-N 3.09Å
26P77.3Confident67.4Low45 Ų4574.6 Ų74.629%0.29238%0.377SS..Hα-helixtrans-65.2-27.1178.4-20.734000114.1L24 I30 L151 L208L24-P26 VanDerWaalsContact C-CD 3.47Å; L24-P26 VanDerWaalsContact C-N 3.32Å; P26-I30 VanDerWaalsContact O-CD1 3.23Å; P26-I30 WeakPolarHBondContact O-CD1 3.46Å; P26-I30 WeakPolarHBondContact O-CG1 3.08Å; P26-I30 PolarHBondContact O-N 3.49Å; P26-L151 HydrophobicContact CB-CD1 4.24Å; P26-L208 HydrophobicContact CB-CD2 3.97Å
27L82.1Confident69.3Low3 Ų367.5 Ų67.52%0.01635%0.345CS..Hα-helixtrans-67.8-48176.9178.268.4000110.3V7 L24 E25 D29 I30 Y31 F65 V67 P101V7-L27 HydrophobicContact CB-CD1 3.63Å; V7-L27 HydrophobicContact CG1-CD1 3.57Å; V7-L27 HydrophobicContact CG2-CD1 4.1Å; L24-L27 HydrophobicContact CD2-CD2 4.17Å; L24-L27 WeakPolarHBondContact O-CB 3.45Å; L24-L27 PolarHBondContact O-N 2.95Å; E25-L27 VanDerWaalsContact C-N 3.28Å; E25-L27 PolarHBondContact O-N 3.21Å; L27-D29 VanDerWaalsContact C-N 3.33Å; L27-D29 PolarHBondContact O-N 3.11Å; L27-I30 PolarHBondContact O-N 2.91Å; L27-Y31 PolarHBondContact O-N 2.6Å; L27-F65 HydrophobicContact CD1-CZ 3.91Å; L27-V67 HydrophobicContact CD1-CG1 4.02Å; L27-V67 HydrophobicContact CD1-CG2 3.96Å; L27-V67 HydrophobicContact CD2-CG1 3.84Å; L27-V67 HydrophobicContact CD2-CG2 4.42Å; L27-P101 HydrophobicContact CD2-CB 4.41Å
28N82.7Confident71.1Confident46 Ų4660.3 Ų60.325%0.24631%0.308CS..Hα-helixtrans-63.6-37.6178-75.3-27.2000112.3L24 E25 Y31 K32 P101L24-N28 PolarHBondContact O-N 2.87Å; E25-N28 PolarHBondContact O-N 3.45Å; N28-Y31 PolarHBondContact O-N 3.34Å; N28-K32 VanDerWaalsContact O-CG 3.29Å; N28-K32 WeakPolarHBondContact O-CG 3.4Å; N28-K32 PolarHBondContact O-N 3.23Å; N28-P101 WeakPolarHBondContact OD1-CB 3.5Å
29D83.1Confident73.1Confident69 Ų6956.7 Ų56.737%0.36929%0.291SS..Hα-helixtrans-74.2-31.1178.4-70.4-12.1000113E25 L27 K32 R33 F209E25-D29 PolarHBondContact O-N 3.38Å; E25-D29 VanDerWaalsContact O-N 3.09Å; L27-D29 VanDerWaalsContact C-N 3.33Å; L27-D29 PolarHBondContact O-N 3.11Å; D29-K32 IonicContact OD1-NZ 2.81Å; D29-R33 WeakPolarHBondContact O-CB 3.45Å; D29-R33 PolarHBondContact O-N 3.28Å; D29-F209 HydrophobicContact CB-CE1 4.01Å; D29-F209 HydrophobicContact CB-CZ 4.18Å
30I84.6Confident74.7Confident11 Ų1161.4 Ų61.46%0.05631%0.305CS..Hα-helixtrans-62.8-51.8166.7-67.4157.6000109.5V7 P26 L27 R33 L34 F65 L149 L151 L208V7-I30 HydrophobicContact CG1-CD1 4.12Å; V7-I30 HydrophobicContact CG2-CD1 4.04Å; V7-I30 HydrophobicContact CG2-CG2 4.04Å; P26-I30 VanDerWaalsContact O-CD1 3.23Å; P26-I30 WeakPolarHBondContact O-CD1 3.46Å; P26-I30 WeakPolarHBondContact O-CG1 3.08Å; P26-I30 PolarHBondContact O-N 3.49Å; L27-I30 PolarHBondContact O-N 2.91Å; I30-R33 PolarHBondContact O-N 2.92Å; I30-L34 HydrophobicContact CG2-CD1 3.74Å; I30-L34 HydrophobicContact CG2-CG 4.21Å; I30-L34 WeakPolarHBondContact O-CG 3.24Å; I30-L34 PolarHBondContact O-N 3.4Å; I30-F65 HydrophobicContact CG2-CE2 4.22Å; I30-L149 HydrophobicContact CD1-CD1 4.07Å; I30-L149 HydrophobicContact CG2-CD1 4.47Å; I30-L151 HydrophobicContact CD1-CD1 4.33Å; I30-L151 HydrophobicContact CD1-CD2 4.47Å; I30-L208 HydrophobicContact CD1-CD1 3.98Å; I30-L208 HydrophobicContact CD1-CD2 4.12Å; I30-L208 HydrophobicContact CD1-CG 4.39Å; I30-L208 HydrophobicContact CG1-CD1 4.3Å; I30-L208 HydrophobicContact CG1-CD2 4.13Å; I30-L208 HydrophobicContact CG1-CG 4.29Å
31Y85.7Confident75.8Confident21 Ų2159.3 Ų59.38%0.08229%0.293CS..Hα-helixtrans-58.4-52.7-175.4179.7-102.3000112.4L27 N28 R33 L34 L35 F65 E82 L84 T99 P101L27-Y31 PolarHBondContact O-N 2.6Å; N28-Y31 PolarHBondContact O-N 3.34Å; Y31-R33 VanDerWaalsContact C-N 3.28Å; Y31-R33 PolarHBondContact O-N 2.9Å; Y31-L34 PolarHBondContact O-N 3.45Å; Y31-L35 HydrophobicContact CD1-CD1 4.03Å; Y31-L35 HydrophobicContact CE1-CD1 3.53Å; Y31-L35 HydrophobicContact CE1-CG 4.33Å; Y31-L35 PolarHBondContact O-N 2.8Å; Y31-F65 AromaticContact CD2-CD1 3.57Å; Y31-F65 HydrophobicContact CD2-CD1 3.57Å; Y31-F65 AromaticContact CD2-CE1 3.54Å; Y31-F65 HydrophobicContact CD2-CE1 3.54Å; Y31-F65 HydrophobicContact CD2-CG 4.11Å; Y31-F65 HydrophobicContact CD2-CZ 4.05Å; Y31-F65 AromaticContact CE2-CD1 3.97Å; Y31-F65 HydrophobicContact CE2-CD1 3.97Å; Y31-F65 HydrophobicContact CE2-CE1 4.29Å; Y31-F65 HydrophobicContact CG-CE1 4.35Å; Y31-E82 PolarHBondContact OH-OE1 3.44Å; Y31-L84 HydrophobicContact CD2-CD2 4.27Å; Y31-L84 HydrophobicContact CE2-CD2 3.58Å; Y31-T99 HydrophobicContact CE1-CG2 4.41Å; Y31-T99 WeakPolarHBondContact OH-CB 3.5Å; Y31-T99 WeakPolarHBondContact OH-CG2 3.34Å; Y31-P101 HydrophobicContact CD1-CG 3.99Å; Y31-P101 HydrophobicContact CD2-CG 4.37Å; Y31-P101 HydrophobicContact CE1-CG 4.22Å; Y31-P101 HydrophobicContact CG-CG 4.08Å
32K85.4Confident76.5Confident119 Ų11956.6 Ų56.652%0.51729%0.29SS..Hα-helixtrans-54.3-43.3176.2-70.5166.7-171.2165.40112.3N28 D29 L35 E36N28-K32 VanDerWaalsContact O-CG 3.29Å; N28-K32 WeakPolarHBondContact O-CG 3.4Å; N28-K32 PolarHBondContact O-N 3.23Å; D29-K32 IonicContact OD1-NZ 2.81Å; K32-L35 WeakPolarHBondContact O-CB 3.45Å; K32-L35 PolarHBondContact O-N 3.26Å; K32-E36 PolarHBondContact O-N 3.37Å
33R84Confident76.6Confident78 Ų7854 Ų5429%0.29430%0.295SS..Hα-helixtrans-73.8-25.4-179.4-171.1165.2170.5-91.513.8113.3D29 I30 Y31 I37 F209D29-R33 WeakPolarHBondContact O-CB 3.45Å; D29-R33 PolarHBondContact O-N 3.28Å; I30-R33 PolarHBondContact O-N 2.92Å; Y31-R33 VanDerWaalsContact C-N 3.28Å; Y31-R33 PolarHBondContact O-N 2.9Å; R33-I37 HydrophobicContact CG-CD1 4.3Å; R33-I37 WeakPolarHBondContact O-CD1 3.45Å; R33-I37 VanDerWaalsContact O-CG1 3.22Å; R33-I37 WeakPolarHBondContact O-CG1 3.19Å; R33-I37 PolarHBondContact O-N 3.44Å; R33-I37 VanDerWaalsContact O-N 3.09Å; R33-F209 PolarHBondContact NH1-O 3.21Å; R33-F209 PolarHBondContact NH2-O 2.94Å
34L85Confident76.8Confident4 Ų455.1 Ų55.12%0.02130%0.295CS..Hα-helixtrans-71.1-37169.9-68.4171.9000111.5V5 I30 Y31 I37 S38 W63 F65 L84 I212V5-L34 HydrophobicContact CB-CD1 4.02Å; V5-L34 HydrophobicContact CG1-CD1 3.96Å; V5-L34 HydrophobicContact CG2-CD1 4.15Å; V5-L34 HydrophobicContact CG2-CD2 4.11Å; I30-L34 HydrophobicContact CG2-CD1 3.74Å; I30-L34 HydrophobicContact CG2-CG 4.21Å; I30-L34 WeakPolarHBondContact O-CG 3.24Å; I30-L34 PolarHBondContact O-N 3.4Å; Y31-L34 PolarHBondContact O-N 3.45Å; L34-I37 PolarHBondContact O-N 2.96Å; L34-S38 PolarHBondContact O-N 3.4Å; L34-W63 HydrophobicContact CD2-CE3 3.92Å; L34-W63 HydrophobicContact CD2-CZ3 3.61Å; L34-F65 HydrophobicContact CD1-CD2 3.53Å; L34-F65 HydrophobicContact CD1-CE2 3.78Å; L34-L84 HydrophobicContact CB-CD1 3.51Å; L34-L84 HydrophobicContact CD1-CD1 4.3Å; L34-I212 HydrophobicContact CD2-CD1 4.07Å
35L85.2Confident76Confident60 Ų6056.8 Ų56.831%0.31432%0.317SS..Hα-helixtrans-62.6-43170.5-68171000112Y31 K32 I37 S38 A39 L84Y31-L35 HydrophobicContact CD1-CD1 4.03Å; Y31-L35 HydrophobicContact CE1-CD1 3.53Å; Y31-L35 HydrophobicContact CE1-CG 4.33Å; Y31-L35 PolarHBondContact O-N 2.8Å; K32-L35 WeakPolarHBondContact O-CB 3.45Å; K32-L35 PolarHBondContact O-N 3.26Å; L35-I37 VanDerWaalsContact C-N 3.31Å; L35-I37 PolarHBondContact O-N 3.31Å; L35-S38 PolarHBondContact O-N 3.05Å; L35-S38 PolarHBondContact O-OG 3.35Å; L35-A39 VanDerWaalsContact O-CB 3.28Å; L35-A39 WeakPolarHBondContact O-CB 3.21Å; L35-A39 PolarHBondContact O-N 3.13Å; L35-L84 HydrophobicContact CD2-CB 4.18Å; L35-L84 HydrophobicContact CD2-CD2 3.98Å
36E82.6Confident75.1Confident115 Ų11558.4 Ų58.454%0.53733%0.327SS..Hα-helixtrans-58.8-42.1173-71.9178.4177.400112.3K32 Q40K32-E36 PolarHBondContact O-N 3.37Å; E36-Q40 WeakPolarHBondContact O-CB 3.3Å; E36-Q40 VanDerWaalsContact O-CG 3.25Å; E36-Q40 WeakPolarHBondContact O-CG 3.47Å; E36-Q40 PolarHBondContact O-N 3.39Å; E36-Q40 VanDerWaalsContact O-N 3.09Å; E36-Q40 PolarHBondContact O-NE2 2.85Å
37I80.4Confident74.2Confident15 Ų1558.2 Ų58.28%0.07733%0.327CS..Hα-helixtrans-69.7-44.2179.5-71.6166000111R33 L34 L35 Q40 E41 W63R33-I37 HydrophobicContact CG-CD1 4.3Å; R33-I37 WeakPolarHBondContact O-CD1 3.45Å; R33-I37 VanDerWaalsContact O-CG1 3.22Å; R33-I37 WeakPolarHBondContact O-CG1 3.19Å; R33-I37 PolarHBondContact O-N 3.44Å; R33-I37 VanDerWaalsContact O-N 3.09Å; L34-I37 PolarHBondContact O-N 2.96Å; L35-I37 VanDerWaalsContact C-N 3.31Å; L35-I37 PolarHBondContact O-N 3.31Å; I37-Q40 PolarHBondContact O-N 3.13Å; I37-E41 WeakPolarHBondContact O-CB 3.25Å; I37-E41 PolarHBondContact O-N 3.44Å; I37-W63 HydrophobicContact CG2-CH2 3.91Å; I37-W63 HydrophobicContact CG2-CZ2 3.52Å
38S80.4Confident73.4Confident5 Ų560.7 Ų60.74%0.03534%0.338CS..Hα-helixtrans-69.1-35.4-179.675.90000112L34 L35 E41 S42 L84L34-S38 PolarHBondContact O-N 3.4Å; L35-S38 PolarHBondContact O-N 3.05Å; L35-S38 PolarHBondContact O-OG 3.35Å; S38-E41 PolarHBondContact O-N 3.42Å; S38-E41 VanDerWaalsContact O-N 3.16Å; S38-S42 WeakPolarHBondContact O-CB 3.47Å; S38-S42 PolarHBondContact O-N 3.46Å; S38-S42 PolarHBondContact O-OG 3.12Å; S38-L84 WeakPolarHBondContact CB-O 3.48Å; S38-L84 PolarHBondContact OG-O 3.05Å
39A77.6Confident72.8Confident55 Ų5558.9 Ų58.946%0.45533%0.329SS..Hα-helixtrans-64.2-39.217100000112.8L35 E41 S42 A43L35-A39 VanDerWaalsContact O-CB 3.28Å; L35-A39 WeakPolarHBondContact O-CB 3.21Å; L35-A39 PolarHBondContact O-N 3.13Å; A39-E41 VanDerWaalsContact C-N 3.26Å; A39-E41 PolarHBondContact O-N 2.92Å; A39-S42 PolarHBondContact O-OG 3.16Å; A39-A43 WeakPolarHBondContact O-CB 3.49Å; A39-A43 PolarHBondContact O-N 2.85Å
40Q71.8Confident72.2Confident127 Ų12757.8 Ų57.859%0.59333%0.325SS*.Hα-helixtrans-69.2-22.3172.7-74.7173.343.100113.3E36 I37 K44E36-Q40 WeakPolarHBondContact O-CB 3.3Å; E36-Q40 VanDerWaalsContact O-CG 3.25Å; E36-Q40 WeakPolarHBondContact O-CG 3.47Å; E36-Q40 PolarHBondContact O-N 3.39Å; E36-Q40 VanDerWaalsContact O-N 3.09Å; E36-Q40 PolarHBondContact O-NE2 2.85Å; I37-Q40 PolarHBondContact O-N 3.13Å; Q40-K44 WeakPolarHBondContact O-CE 3.45Å; Q40-K44 WeakPolarHBondContact O-CG 3.47Å
41E67.8Low71.4Confident31 Ų3159 Ų5915%0.14534%0.337CS..Hα-helixtrans-88.6-44.6-179.7-165.2119.2-94.900112.2I37 S38 A39 A43 K44 W63I37-E41 WeakPolarHBondContact O-CB 3.25Å; I37-E41 PolarHBondContact O-N 3.44Å; S38-E41 PolarHBondContact O-N 3.42Å; S38-E41 VanDerWaalsContact O-N 3.16Å; A39-E41 VanDerWaalsContact C-N 3.26Å; A39-E41 PolarHBondContact O-N 2.92Å; E41-A43 VanDerWaalsContact C-N 3.29Å; E41-A43 PolarHBondContact O-N 2.99Å; E41-K44 VanDerWaalsContact O-CB 3.31Å; E41-K44 WeakPolarHBondContact O-CB 3.3Å; E41-K44 PolarHBondContact O-N 3.36Å; E41-K44 IonicContact OE1-NZ 3.01Å; E41-K44 PolarHBondContact OE1-NZ 3.18Å; E41-W63 PolarHBondContact OE2-NE1 2.8Å
42S61.3Low70.5Confident81 Ų8158 Ų5857%0.56633%0.333SS*.Hα-helixtrans-60.4-39.617664.30000111.5S38 A39 K44 G45S38-S42 WeakPolarHBondContact O-CB 3.47Å; S38-S42 PolarHBondContact O-N 3.46Å; S38-S42 PolarHBondContact O-OG 3.12Å; A39-S42 PolarHBondContact O-OG 3.16Å; S42-K44 PolarHBondContact O-N 2.91Å; S42-K44 VanDerWaalsContact O-N 3.11Å; S42-G45 PolarHBondContact O-N 2.94Å; S42-G45 VanDerWaalsContact O-N 3.09Å
43A56.2Low69.5Low86 Ų8653.1 Ų53.171%0.71131%0.314SS*.THydrogen-bonded Turntrans-61.6-14.9174.100000114.7A39 E41A39-A43 WeakPolarHBondContact O-CB 3.49Å; A39-A43 PolarHBondContact O-N 2.85Å; E41-A43 VanDerWaalsContact C-N 3.29Å; E41-A43 PolarHBondContact O-N 2.99Å
44K59.8Low68.3Low62 Ų6256 Ų5627%0.2734%0.335SS..THydrogen-bonded Turntrans-78.1-27.1174.2-58.5170.1-168.7171.10112.8Q40 E41 S42 I46Q40-K44 WeakPolarHBondContact O-CE 3.45Å; Q40-K44 WeakPolarHBondContact O-CG 3.47Å; E41-K44 VanDerWaalsContact O-CB 3.31Å; E41-K44 WeakPolarHBondContact O-CB 3.3Å; E41-K44 PolarHBondContact O-N 3.36Å; E41-K44 IonicContact OE1-NZ 3.01Å; E41-K44 PolarHBondContact OE1-NZ 3.18Å; S42-K44 PolarHBondContact O-N 2.91Å; S42-K44 VanDerWaalsContact O-N 3.11Å; K44-I46 WeakPolarHBondContact O-CG1 3.42Å; K44-I46 PolarHBondContact O-N 3.29Å
45G49.6Very low67Low55 Ų5558.7 Ų58.757%0.56735%0.353SS*.  trans59.7-3.517800000117.9S42S42-G45 PolarHBondContact O-N 2.94Å; S42-G45 VanDerWaalsContact O-N 3.09Å
46I55.1Low65.8Low139 Ų13956 Ų5671%0.71334%0.34SS*.SBendtrans-127.9125.4-166.6-61.5167.1000109.9K44 E48K44-I46 WeakPolarHBondContact O-CG1 3.42Å; K44-I46 PolarHBondContact O-N 3.29Å; I46-E48 PolarHBondContact O-N 3.46Å
47S58.7Low65Low40 Ų4052.9 Ų52.928%0.2833%0.331SS..  trans-71.8124.4174-156.80000110.7F49S47-F49 PolarHBondContact O-N 3.03Å
48E65.4Low64.4Low55 Ų5553 Ų5326%0.25733%0.333SS..SBendtrans-72-17.3-174.8-60.4-170.3173.400113.7I46 L217 S242I46-E48 PolarHBondContact O-N 3.46Å; E48-L217 HydrophobicContact CB-CD1 4.2Å; E48-L217 WeakPolarHBondContact OE2-CD1 3.35Å; E48-S242 WeakPolarHBondContact OE2-CB 3.49Å
49F70.1Confident63.7Low9 Ų953.8 Ų53.84%0.03934%0.339CS..SBendtrans-90.7117.1162.8-84.3-77000109.4S47 P58 L217 L240 Y270 F295 Y371S47-F49 PolarHBondContact O-N 3.03Å; F49-P58 WeakPolarHBondContact O-CG 3.42Å; F49-L217 HydrophobicContact CE2-CB 3.86Å; F49-L217 HydrophobicContact CE2-CD1 4.31Å; F49-L240 HydrophobicContact CZ-CD1 4.34Å; F49-Y270 HydrophobicContact CD1-CE1 4.33Å; F49-Y270 HydrophobicContact CD2-CE1 4.45Å; F49-Y270 HydrophobicContact CG-CE1 4.26Å; F49-F295 HydrophobicContact CD1-CE2 4.37Å; F49-F295 AromaticContact CD1-CZ 3.98Å; F49-F295 HydrophobicContact CD1-CZ 3.98Å; F49-F295 AromaticContact CE1-CE2 4Å; F49-F295 HydrophobicContact CE1-CE2 4Å; F49-F295 AromaticContact CE1-CZ 3.94Å; F49-F295 HydrophobicContact CE1-CZ 3.94Å; F49-F295 HydrophobicContact CG-CZ 4.41Å; F49-F295 HydrophobicContact CZ-CZ 4.33Å; F49-Y371 HydrophobicContact CD1-CD1 4.34Å; F49-Y371 HydrophobicContact CD1-CE1 4.09Å
50P70.4Confident63.4Low45 Ų4554.1 Ų54.129%0.29234%0.336SS..PPolyproline II helixtrans-65.7156.2175.327.4-34000111.2C52 Y371 L390P50-C52 PolarHBondContact O-N 2.94Å; P50-Y371 VanDerWaalsContact O-CE1 3.26Å; P50-Y371 WeakPolarHBondContact O-CE1 3.3Å; P50-Y371 PolarHBondContact O-OH 3.1Å; P50-L390 HydrophobicContact CG-CD2 3.4Å
51A67.7Low63.5Low37 Ų3750 Ų5031%0.30632%0.323SS..PPolyproline II helixtrans-54137172.900000110.9Q396A51-Q396 VanDerWaalsContact O-CG 3.31Å; A51-Q396 WeakPolarHBondContact O-CG 3.34Å; A51-Q396 PolarHBondContact O-NE2 3.22Å
52C66.8Low64.3Low0 Ų053 Ų530%033%0.333CS..SBendtrans-110.41.2178.354.60000113.8P50 I330 A369 Y371 S395P50-C52 PolarHBondContact O-N 2.94Å; C52-I330 VanDerWaalsContact SG-CD1 3.59Å; C52-A369 HydrophobicContact CB-CB 4.15Å; C52-Y371 HydrophobicContact CB-CD1 4.32Å; C52-Y371 HydrophobicContact CB-CD2 4.4Å; C52-Y371 HydrophobicContact CB-CE1 3.78Å; C52-Y371 HydrophobicContact CB-CE2 3.84Å; C52-Y371 WeakPolarHBondContact SG-CE2 3.3Å; C52-Y371 PolarHBondContact SG-OH 3.36Å; C52-S395 WeakPolarHBondContact O-CB 3.13Å; C52-S395 PolarHBondContact O-OG 3.03Å
53S64.8Low65.5Low17 Ų1749.3 Ų49.312%0.11931%0.307CS..SBendtrans-134.7168.6167.4-1770000109.8S55 E367S53-S55 PolarHBondContact OG-N 2.85Å; S53-E367 VanDerWaalsContact CB-OE2 3.24Å; S53-E367 WeakPolarHBondContact CB-OE2 3.48Å; S53-E367 PolarHBondContact OG-OE2 3.02Å
54L58.6Low67.1Low139 Ų13946.7 Ų46.773%0.72828%0.279SS*.SBendtrans-81.9-2.3171.2-55.6175.3000112.2G56L54-G56 PolarHBondContact O-N 3.26Å
55S56.1Low68.6Low59 Ų5943.8 Ų43.841%0.41327%0.266SS..SBendtrans-75.9-0.2-172.467.90000115.8S53 V266S53-S55 PolarHBondContact OG-N 2.85Å; S55-V266 WeakPolarHBondContact O-CG1 3.36Å
56G61.5Low70.6Confident4 Ų441.1 Ų41.14%0.04124%0.239CC..  trans141.3167.4-175.500000112.7L54L54-G56 PolarHBondContact O-N 3.26Å
57S64.1Low72.3Confident49 Ų4934.6 Ų34.634%0.34321%0.206SC..PPolyproline II helixtrans-84.8144.5171.543.50000111.4A59 V266S57-A59 PolarHBondContact O-N 3.45Å; S57-V266 WeakPolarHBondContact O-CG2 3.46Å; S57-V266 PolarHBondContact O-N 3.48Å; S57-V266 VanDerWaalsContact O-N 3.14Å
58P68.6Low73.7Confident19 Ų1932.7 Ų32.712%0.12319%0.192CC..BIsolated β-bridgetrans-61135.716924.7-31.7000110.1F49F49-P58 WeakPolarHBondContact O-CG 3.42Å
59A67Low74.7Confident20 Ų2030.1 Ų30.117%0.16518%0.181CC..PPolyproline II helixtrans-55.6157173.100000112.1S57 E265S57-A59 PolarHBondContact O-N 3.45Å; A59-E265 HydrophobicContact CB-CB 4.35Å
60T69.4Low75.1Confident63 Ų6330 Ų3039%0.38718%0.181SC..PPolyproline II helixtrans-62.2146.616947.40000110.5R62T60-R62 PolarHBondContact O-N 3.26Å
61A75.5Confident75.3Confident39 Ų3931.3 Ų31.332%0.32218%0.18SC..  trans-73.3115.8177.400000109.6M1M1-A61 WeakPolarHBondContact O-CB 3.49Å
62R84.1Confident75.5Confident94 Ų9431.5 Ų31.536%0.35519%0.186SC..  trans-88.5152177-65.4172.1-177.4-132.36.1110.6D2 R3 T60 Y64 E83D2-R62 CarbonylContact C-O 3.42Å; D2-R62 WeakPolarHBondContact CA-O 3.33Å; D2-R62 PolarHBondContact OD1-N 2.86Å; D2-R62 VanDerWaalsContact OD1-N 3.17Å; R3-R62 PolarHBondContact N-O 3.42Å; T60-R62 PolarHBondContact O-N 3.26Å; R62-Y64 HydrophobicContact CB-CD2 4.36Å; R62-Y64 HydrophobicContact CB-CE2 3.59Å; R62-Y64 WeakPolarHBondContact CD-OH 3.42Å; R62-E83 WeakPolarHBondContact CD-OE1 3.33Å; R62-E83 IonicContact CZ-OE1 3.68Å; R62-E83 IonicContact NE-OE1 2.71Å; R62-E83 VanDerWaalsContact NH1-CD 3.32Å; R62-E83 IonicContact NH1-OE1 2.66Å; R62-E83 PolarHBondContact NH1-OE1 3.03Å; R62-E83 IonicContact NH1-OE2 3.61Å; R62-E83 PolarHBondContact NH1-OE2 3.4Å
63W87.1Confident75.6Confident4 Ų433 Ų332%0.01520%0.198CC..EExtended strand (participates in β ladder)trans-109.2138.6174.1-76.677000109.5R3 V5 L34 I37 E41 L84 I212R3-W63 HydrophobicContact CB-CD2 3.52Å; R3-W63 HydrophobicContact CB-CE3 3.61Å; R3-W63 HydrophobicContact CB-CG 3.94Å; R3-W63 HydrophobicContact CB-CH2 4.32Å; R3-W63 HydrophobicContact CB-CZ2 4.24Å; R3-W63 HydrophobicContact CB-CZ3 4.02Å; R3-W63 HydrophobicContact CG-CD2 4.01Å; R3-W63 HydrophobicContact CG-CE3 4.21Å; R3-W63 HydrophobicContact CG-CH2 4.03Å; R3-W63 HydrophobicContact CG-CZ2 3.8Å; R3-W63 HydrophobicContact CG-CZ3 4.21Å; R3-W63 CarbonylContact O-C 3.5Å; R3-W63 WeakPolarHBondContact O-CA 3.39Å; V5-W63 HydrophobicContact CG2-CE3 4.29Å; V5-W63 HydrophobicContact CG2-CZ3 4.09Å; L34-W63 HydrophobicContact CD2-CE3 3.92Å; L34-W63 HydrophobicContact CD2-CZ3 3.61Å; I37-W63 HydrophobicContact CG2-CH2 3.91Å; I37-W63 HydrophobicContact CG2-CZ2 3.52Å; E41-W63 PolarHBondContact OE2-NE1 2.8Å; W63-L84 HydrophobicContact CB-CB 4.03Å; W63-L84 HydrophobicContact CB-CD1 4.49Å; W63-L84 PolarHBondContact O-N 3.04Å; W63-I212 HydrophobicContact CH2-CG2 4.05Å; W63-I212 HydrophobicContact CZ3-CG2 4.16Å
64Y89.8Confident76.1Confident32 Ų3233.1 Ų33.113%0.12520%0.198CC..EExtended strand (participates in β ladder)trans-135142.4-175.4-67.8-78.5000110.6D2 R3 Y4 V5 R62 W81 E82 E83D2-Y64 HydrophobicContact CB-CD2 4.43Å; D2-Y64 HydrophobicContact CB-CE2 4.16Å; R3-Y64 PolarHBondContact O-N 3.47Å; Y4-Y64 WeakPolarHBondContact CA-O 3.17Å; Y4-Y64 VanDerWaalsContact CD1-CB 3.42Å; Y4-Y64 HydrophobicContact CD1-CD2 4.04Å; Y4-Y64 AromaticContact CD1-CG 3.91Å; Y4-Y64 HydrophobicContact CD1-CG 3.91Å; Y4-Y64 HydrophobicContact CD2-CD2 4.17Å; Y4-Y64 HydrophobicContact CE1-CD1 4.21Å; Y4-Y64 AromaticContact CE1-CD2 3.51Å; Y4-Y64 HydrophobicContact CE1-CD2 3.51Å; Y4-Y64 HydrophobicContact CE1-CE2 4.24Å; Y4-Y64 AromaticContact CE1-CG 3.49Å; Y4-Y64 HydrophobicContact CE1-CG 3.49Å; Y4-Y64 VanDerWaalsContact CE1-CG 3.49Å; Y4-Y64 AromaticContact CE2-CD2 3.66Å; Y4-Y64 HydrophobicContact CE2-CD2 3.66Å; Y4-Y64 HydrophobicContact CE2-CE2 4.15Å; Y4-Y64 HydrophobicContact CE2-CG 4.46Å; Y4-Y64 HydrophobicContact CG-CD2 4.35Å; Y4-Y64 AromaticContact CZ-CD2 3.29Å; Y4-Y64 AromaticContact CZ-CE2 3.7Å; Y4-Y64 AromaticContact CZ-CG 3.81Å; Y4-Y64 WeakPolarHBondContact OH-CE2 3.39Å; V5-Y64 PolarHBondContact N-O 2.96Å; R62-Y64 HydrophobicContact CB-CD2 4.36Å; R62-Y64 HydrophobicContact CB-CE2 3.59Å; R62-Y64 WeakPolarHBondContact CD-OH 3.42Å; Y64-W81 HydrophobicContact CD1-CB 4.34Å; Y64-E82 CarbonylContact C-O 3.59Å; Y64-E82 WeakPolarHBondContact CA-O 3.17Å; Y64-E83 HydrophobicContact CD1-CB 3.94Å; Y64-E83 HydrophobicContact CD1-CG 4.13Å; Y64-E83 HydrophobicContact CE1-CB 3.59Å; Y64-E83 HydrophobicContact CE1-CG 3.56Å; Y64-E83 VanDerWaalsContact CE1-OE2 3.26Å; Y64-E83 WeakPolarHBondContact CE1-OE2 3.41Å; Y64-E83 VanDerWaalsContact CZ-OE2 3.25Å; Y64-E83 PolarHBondContact OH-OE2 3.12Å
65F91.3Very high77.3Confident0 Ų027.6 Ų27.60%017%0.168CC..EExtended strand (participates in β ladder)trans-131.4146-175.5-172.6-106.9000111.9V5 V7 L27 I30 Y31 L34 V67 E82 L84 T100V5-F65 HydrophobicContact CB-CD2 4.28Å; V5-F65 HydrophobicContact CG1-CD2 4.42Å; V5-F65 WeakPolarHBondContact O-CA 3.29Å; V7-F65 HydrophobicContact CG2-CE2 3.64Å; V7-F65 HydrophobicContact CG2-CZ 4.02Å; L27-F65 HydrophobicContact CD1-CZ 3.91Å; I30-F65 HydrophobicContact CG2-CE2 4.22Å; Y31-F65 AromaticContact CD2-CD1 3.57Å; Y31-F65 HydrophobicContact CD2-CD1 3.57Å; Y31-F65 AromaticContact CD2-CE1 3.54Å; Y31-F65 HydrophobicContact CD2-CE1 3.54Å; Y31-F65 HydrophobicContact CD2-CG 4.11Å; Y31-F65 HydrophobicContact CD2-CZ 4.05Å; Y31-F65 AromaticContact CE2-CD1 3.97Å; Y31-F65 HydrophobicContact CE2-CD1 3.97Å; Y31-F65 HydrophobicContact CE2-CE1 4.29Å; Y31-F65 HydrophobicContact CG-CE1 4.35Å; L34-F65 HydrophobicContact CD1-CD2 3.53Å; L34-F65 HydrophobicContact CD1-CE2 3.78Å; F65-V67 HydrophobicContact CD1-CG2 4.11Å; F65-V67 HydrophobicContact CE1-CG2 3.34Å; F65-V67 HydrophobicContact CZ-CG2 3.83Å; F65-E82 PolarHBondContact N-O 3.49Å; F65-E82 PolarHBondContact O-N 3.02Å; F65-L84 HydrophobicContact CB-CD1 3.98Å; F65-L84 HydrophobicContact CB-CD2 3.97Å; F65-L84 HydrophobicContact CB-CG 4.02Å; F65-T100 VanDerWaalsContact CD1-OG1 3.27Å; F65-T100 WeakPolarHBondContact CD1-OG1 3.33Å
66A90.5Very high78.6Confident0 Ų025.8 Ų25.80%015%0.153CC..EExtended strand (participates in β ladder)trans-151154.717200000110.3V5 L6 V7 W81 L134V5-A66 PolarHBondContact O-N 3.06Å; L6-A66 WeakPolarHBondContact CA-O 3.38Å; L6-A66 HydrophobicContact CD1-CB 4.18Å; V7-A66 PolarHBondContact N-O 3.24Å; A66-W81 HydrophobicContact CB-CD2 3.94Å; A66-W81 HydrophobicContact CB-CE3 3.43Å; A66-W81 VanDerWaalsContact CB-CE3 3.43Å; A66-W81 HydrophobicContact CB-CH2 4.22Å; A66-W81 HydrophobicContact CB-CZ3 3.61Å; A66-L134 HydrophobicContact CB-CD1 4.11Å; A66-L134 HydrophobicContact CB-CD2 4.28Å
67V90.3Very high79.8Confident1 Ų127.2 Ų27.21%0.00616%0.162CC..EExtended strand (participates in β ladder)trans-127.1140.7-175.7-173.80000110.2V7 L27 F65 V69 S78V7-V67 WeakPolarHBondContact O-CA 3.3Å; L27-V67 HydrophobicContact CD1-CG1 4.02Å; L27-V67 HydrophobicContact CD1-CG2 3.96Å; L27-V67 HydrophobicContact CD2-CG1 3.84Å; L27-V67 HydrophobicContact CD2-CG2 4.42Å; F65-V67 HydrophobicContact CD1-CG2 4.11Å; F65-V67 HydrophobicContact CE1-CG2 3.34Å; F65-V67 HydrophobicContact CZ-CG2 3.83Å; V67-V69 HydrophobicContact CG1-CG2 3.79Å; V67-S78 PolarHBondContact N-OG 3.08Å; V67-S78 PolarHBondContact O-N 3.44Å; V67-S78 PolarHBondContact O-OG 2.94Å
68Q88.3Confident80.9Confident0 Ų025 Ų250%015%0.147CC..EExtended strand (participates in β ladder)trans-132.1122.2162.216780.971.400108.3V7 L8 S9 F76 A127 L131V7-Q68 PolarHBondContact O-N 3.5Å; L8-Q68 CarbonylContact C-O 3.59Å; L8-Q68 VanDerWaalsContact CA-O 3.28Å; L8-Q68 WeakPolarHBondContact CA-O 3.4Å; L8-Q68 HydrophobicContact CD2-CB 3.57Å; L8-Q68 HydrophobicContact CD2-CG 3.43Å; L8-Q68 VanDerWaalsContact CD2-CG 3.43Å; L8-Q68 HydrophobicContact CG-CB 4.45Å; S9-Q68 PolarHBondContact N-O 3.41Å; Q68-F76 CarbonylContact C-O 3.48Å; Q68-F76 VanDerWaalsContact CA-O 3.24Å; Q68-F76 WeakPolarHBondContact CA-O 3.28Å; Q68-F76 PolarHBondContact NE2-O 2.88Å; Q68-A127 PolarHBondContact OE1-O 3.13Å; Q68-L131 HydrophobicContact CB-CD2 3.91Å; Q68-L131 HydrophobicContact CG-CD2 4.09Å
69V86.2Confident81.5Confident2 Ų228.7 Ų28.71%0.01217%0.173CC..EExtended strand (participates in β ladder)trans-115.5138.9175.4-179.40000109.5L24 V67 R71 Q75 F76 C104 L108L24-V69 HydrophobicContact CD2-CG1 4.5Å; L24-V69 HydrophobicContact CD2-CG2 4.14Å; V67-V69 HydrophobicContact CG1-CG2 3.79Å; V69-R71 HydrophobicContact CG1-CB 4.39Å; V69-Q75 VanDerWaalsContact O-CA 3.29Å; V69-Q75 WeakPolarHBondContact O-CA 3.4Å; V69-Q75 WeakPolarHBondContact O-CB 3.26Å; V69-F76 PolarHBondContact N-O 3Å; V69-F76 PolarHBondContact O-N 3.4Å; V69-C104 WeakPolarHBondContact CG2-SG 3.49Å; V69-L108 HydrophobicContact CB-CD1 4.3Å; V69-L108 HydrophobicContact CG1-CD1 3.95Å
70C79.6Confident82.4Confident6 Ų631.5 Ų31.54%0.04119%0.185CC..EExtended strand (participates in β ladder)trans-126.6110.7167.1-570000107.4S9 F10 S11 L123S9-C70 PolarHBondContact O-N 2.73Å; F10-C70 HydrophobicContact CD2-CB 3.98Å; F10-C70 HydrophobicContact CE2-CB 4.46Å; S11-C70 PolarHBondContact N-O 3.01Å; S11-C70 VanDerWaalsContact N-O 3.07Å; C70-L123 HydrophobicContact CB-CD2 3.82Å
71R74.6Confident83.2Confident72 Ų7229.6 Ų29.627%0.27217%0.171SC..EExtended strand (participates in β ladder)trans-121.499.4-178.6-177.9-173.6-171.2-163.81.9109D20 V69 A73 T74 E112D20-R71 IonicContact OD1-CZ 3.86Å; D20-R71 IonicContact OD1-NH1 3.6Å; D20-R71 IonicContact OD1-NH2 2.83Å; D20-R71 PolarHBondContact OD1-NH2 3.41Å; V69-R71 HydrophobicContact CG1-CB 4.39Å; R71-A73 PolarHBondContact O-N 2.94Å; R71-T74 PolarHBondContact N-O 2.71Å; R71-T74 PolarHBondContact O-N 3.35Å; R71-T74 PolarHBondContact O-OG1 2.91Å; R71-E112 IonicContact CZ-OE1 2.65Å; R71-E112 IonicContact NE-OE1 3.61Å; R71-E112 IonicContact NH1-OE1 3.85Å; R71-E112 PolarHBondContact NH1-OE1 2.77Å; R71-E112 IonicContact NH1-OE2 3.31Å
72G71.6Confident83.8Confident42 Ų4229.9 Ų29.943%0.43317%0.165SC..THydrogen-bonded Turntrans60.3-98.418000000112.7S11S11-G72 PolarHBondContact O-N 3.07Å
73A67.8Low84Confident31 Ų3128.1 Ų28.126%0.25616%0.161SC..THydrogen-bonded Turntrans-113.9-0.7178.700000114.4R71 L117 L123R71-A73 PolarHBondContact O-N 2.94Å; A73-L117 HydrophobicContact CB-CB 4.34Å; A73-L117 HydrophobicContact CB-CD2 3.56Å; A73-L123 WeakPolarHBondContact O-CD1 3.13Å
74T76.9Confident83.7Confident19 Ų1928.3 Ų28.312%0.11716%0.163CC..EExtended strand (participates in β ladder)trans-105.1148.9174.960.10000111.1R71 Q111 E112R71-T74 PolarHBondContact N-O 2.71Å; R71-T74 PolarHBondContact O-N 3.35Å; R71-T74 PolarHBondContact O-OG1 2.91Å; T74-Q111 VanDerWaalsContact CB-OE1 3.26Å; T74-Q111 HydrophobicContact CG2-CB 3.64Å; T74-E112 HydrophobicContact CG2-CG 4.3Å
75Q82.7Confident82.5Confident23 Ų2328.7 Ų28.711%0.10718%0.176CC..EExtended strand (participates in β ladder)trans-147.9151.2178.476.8116-1.400113V69 Q111 L123 E126V69-Q75 VanDerWaalsContact O-CA 3.29Å; V69-Q75 WeakPolarHBondContact O-CA 3.4Å; V69-Q75 WeakPolarHBondContact O-CB 3.26Å; Q75-Q111 VanDerWaalsContact N-OE1 3.1Å; Q75-Q111 PolarHBondContact O-NE2 3.22Å; Q75-Q111 PolarHBondContact O-OE1 2.88Å; Q75-L123 HydrophobicContact CB-CD1 4.21Å; Q75-L123 HydrophobicContact CB-CD2 4.13Å; Q75-L123 HydrophobicContact CB-CG 3.97Å; Q75-L123 HydrophobicContact CG-CG 4.1Å; Q75-E126 PolarHBondContact NE2-OE2 3.46Å
76F84.8Confident80.7Confident22 Ų2233.4 Ų33.410%0.09621%0.205CC..EExtended strand (participates in β ladder)trans-140.1135.3178.8175-94000109.7Q68 V69 E103 C104 S107 L108Q68-F76 CarbonylContact C-O 3.48Å; Q68-F76 VanDerWaalsContact CA-O 3.24Å; Q68-F76 WeakPolarHBondContact CA-O 3.28Å; Q68-F76 PolarHBondContact NE2-O 2.88Å; V69-F76 PolarHBondContact N-O 3Å; V69-F76 PolarHBondContact O-N 3.4Å; F76-E103 HydrophobicContact CE2-CB 4.37Å; F76-E103 HydrophobicContact CZ-CB 3.92Å; F76-C104 HydrophobicContact CD1-CB 3.6Å; F76-C104 WeakPolarHBondContact CD1-SG 3.21Å; F76-C104 HydrophobicContact CE1-CB 3.59Å; F76-C104 HydrophobicContact CG-CB 4.22Å; F76-C104 HydrophobicContact CZ-CB 4.2Å; F76-S107 VanDerWaalsContact CD2-CB 3.45Å; F76-S107 WeakPolarHBondContact CE2-OG 3.49Å; F76-L108 HydrophobicContact CB-CD2 4.38Å; F76-L108 HydrophobicContact CB-CG 4.48Å
77C85.8Confident78.2Confident34 Ų3440.4 Ų40.423%0.2324%0.242CC..EExtended strand (participates in β ladder)trans-126.1130169.8-177.40000108.3S79C77-S79 PolarHBondContact O-N 3.01Å
78S86.6Confident75.6Confident2 Ų250.6 Ų50.61%0.01428%0.282CS..  trans-54.3133.5167.6-63.80000109.7V67V67-S78 PolarHBondContact N-OG 3.08Å; V67-S78 PolarHBondContact O-N 3.44Å; V67-S78 PolarHBondContact O-OG 2.94Å
79S80.9Confident72.9Confident97 Ų9759.1 Ų59.168%0.67832%0.322SS*.SBendtrans-75.2-26.6-177.670.70000112.7C77 K137C77-S79 PolarHBondContact O-N 3.01Å; S79-K137 PolarHBondContact O-NZ 2.82Å
80D85.6Confident70.4Confident79 Ų7967.8 Ų67.842%0.42236%0.355SS..SBendtrans-147.6-174.5175.2-140.9-40.7000111K137D80-K137 HydrophobicContact CB-CD 4.44Å; D80-K137 VanDerWaalsContact OD1-CD 3.32Å; D80-K137 WeakPolarHBondContact OD1-CD 3.37Å; D80-K137 IonicContact OD1-NZ 3.65Å; D80-K137 WeakPolarHBondContact OD2-CD 3.36Å; D80-K137 WeakPolarHBondContact OD2-CE 3.33Å; D80-K137 IonicContact OD2-NZ 2.68Å; D80-K137 PolarHBondContact OD2-NZ 2.86Å
81W87.7Confident68Low22 Ų2272.9 Ų72.98%0.08339%0.386CS..  trans-96.9117.7177.8-63.691.1000111.8Y4 L6 Y64 A66 L134 L138 L146Y4-W81 HydrophobicContact CD1-CB 4.44Å; Y4-W81 AromaticContact CD1-CD2 3.63Å; Y4-W81 HydrophobicContact CD1-CD2 3.63Å; Y4-W81 AromaticContact CD1-CE3 3.64Å; Y4-W81 HydrophobicContact CD1-CE3 3.64Å; Y4-W81 HydrophobicContact CD1-CG 4Å; Y4-W81 HydrophobicContact CD1-CH2 4.49Å; Y4-W81 HydrophobicContact CD1-CZ3 4.09Å; Y4-W81 HydrophobicContact CE1-CB 4.22Å; Y4-W81 HydrophobicContact CE1-CD2 4.15Å; Y4-W81 HydrophobicContact CE1-CG 4.02Å; L6-W81 HydrophobicContact CB-CH2 4.03Å; L6-W81 HydrophobicContact CB-CZ3 4.31Å; Y64-W81 HydrophobicContact CD1-CB 4.34Å; A66-W81 HydrophobicContact CB-CD2 3.94Å; A66-W81 HydrophobicContact CB-CE3 3.43Å; A66-W81 VanDerWaalsContact CB-CE3 3.43Å; A66-W81 HydrophobicContact CB-CH2 4.22Å; A66-W81 HydrophobicContact CB-CZ3 3.61Å; W81-L134 HydrophobicContact CZ2-CB 4.19Å; W81-L134 PolarHBondContact NE1-O 3.33Å; W81-L138 HydrophobicContact CD2-CD2 4.4Å; W81-L138 HydrophobicContact CH2-CD2 4.24Å; W81-L138 HydrophobicContact CZ2-CD1 4.12Å; W81-L138 HydrophobicContact CZ2-CD2 3.58Å; W81-L138 HydrophobicContact CZ2-CG 3.9Å; W81-L146 HydrophobicContact CH2-CD1 3.77Å; W81-L146 HydrophobicContact CZ3-CD1 4.44Å
82E87.8Confident66.1Low45 Ų4576.5 Ų76.521%0.2141%0.41CS..EExtended strand (participates in β ladder)trans-73129.4177.5-177.3-177.3176.400111Y31 Y64 F65 L84 T100Y31-E82 PolarHBondContact OH-OE1 3.44Å; Y64-E82 CarbonylContact C-O 3.59Å; Y64-E82 WeakPolarHBondContact CA-O 3.17Å; F65-E82 PolarHBondContact N-O 3.49Å; F65-E82 PolarHBondContact O-N 3.02Å; E82-L84 HydrophobicContact CG-CD2 4.41Å; E82-T100 HydrophobicContact CB-CG2 3.87Å; E82-T100 HydrophobicContact CG-CG2 4.47Å; E82-T100 VanDerWaalsContact OE2-CB 3.27Å; E82-T100 WeakPolarHBondContact OE2-CB 3.42Å; E82-T100 WeakPolarHBondContact OE2-CG2 3.44Å; E82-T100 PolarHBondContact OE2-N 3.38Å; E82-T100 VanDerWaalsContact OE2-N 3.1Å; E82-T100 PolarHBondContact OE2-OG1 3.06Å
83E87.4Confident64.6Low58 Ų5879 Ų7927%0.27142%0.421SS..EExtended strand (participates in β ladder)trans-85.7114.4177.9-166.1168.8136.500111.6R62 Y64 G85R62-E83 WeakPolarHBondContact CD-OE1 3.33Å; R62-E83 IonicContact CZ-OE1 3.68Å; R62-E83 IonicContact NE-OE1 2.71Å; R62-E83 VanDerWaalsContact NH1-CD 3.32Å; R62-E83 IonicContact NH1-OE1 2.66Å; R62-E83 PolarHBondContact NH1-OE1 3.03Å; R62-E83 IonicContact NH1-OE2 3.61Å; R62-E83 PolarHBondContact NH1-OE2 3.4Å; Y64-E83 HydrophobicContact CD1-CB 3.94Å; Y64-E83 HydrophobicContact CD1-CG 4.13Å; Y64-E83 HydrophobicContact CE1-CB 3.59Å; Y64-E83 HydrophobicContact CE1-CG 3.56Å; Y64-E83 VanDerWaalsContact CE1-OE2 3.26Å; Y64-E83 WeakPolarHBondContact CE1-OE2 3.41Å; Y64-E83 VanDerWaalsContact CZ-OE2 3.25Å; Y64-E83 PolarHBondContact OH-OE2 3.12Å; E83-G85 PolarHBondContact O-N 3.3Å
84L81.8Confident63.4Low8 Ų886.1 Ų86.14%0.04245%0.449CS..EExtended strand (participates in β ladder)trans-84.8110.8-175.5-59.5-173.3000112.3Y31 L34 L35 S38 W63 F65 E82Y31-L84 HydrophobicContact CD2-CD2 4.27Å; Y31-L84 HydrophobicContact CE2-CD2 3.58Å; L34-L84 HydrophobicContact CB-CD1 3.51Å; L34-L84 HydrophobicContact CD1-CD1 4.3Å; L35-L84 HydrophobicContact CD2-CB 4.18Å; L35-L84 HydrophobicContact CD2-CD2 3.98Å; S38-L84 WeakPolarHBondContact CB-O 3.48Å; S38-L84 PolarHBondContact OG-O 3.05Å; W63-L84 HydrophobicContact CB-CB 4.03Å; W63-L84 HydrophobicContact CB-CD1 4.49Å; W63-L84 PolarHBondContact O-N 3.04Å; F65-L84 HydrophobicContact CB-CD1 3.98Å; F65-L84 HydrophobicContact CB-CD2 3.97Å; F65-L84 HydrophobicContact CB-CG 4.02Å; E82-L84 HydrophobicContact CG-CD2 4.41Å
85G64.1Low61.7Low39 Ų3994.2 Ų94.240%0.40249%0.486SS..THydrogen-bonded Turntrans112.810.8166.800000115.8E83 N87E83-G85 PolarHBondContact O-N 3.3Å; G85-N87 PolarHBondContact O-N 3.47Å
86T52.8Low59.7Low99 Ų99101.3 Ų101.361%0.60752%0.519SS*.  trans-62.6113.3157.142.90000108.8
87N38.3Very low58.3Low148 Ų148105.4 Ų105.479%0.79155%0.55SS**  trans-53.6146.7173.2-77.2-44.4000110.7G85 Q89G85-N87 PolarHBondContact O-N 3.47Å; N87-Q89 PolarHBondContact O-N 3.18Å
88Y35.8Very low57Low214 Ų214108 Ų10884%0.83956%0.561SS**  trans-64.272167.5-68.8-93.7000111.5R90Y88-R90 PolarHBondContact O-N 2.77Å
89Q32.3Very low56.4Low179 Ų179109 Ų10984%0.83657%0.568SS**  trans-70.287.2151.6-81.7-168.3-41.700107.1N87 T91N87-Q89 PolarHBondContact O-N 3.18Å; Q89-T91 PolarHBondContact O-N 2.6Å
90R34.4Very low56.1Low185 Ų185104.9 Ų104.970%0.69854%0.538SS*.  trans-50.6106.7164.5-83.5-173.3171.6160-4108.4Y88 E96Y88-R90 PolarHBondContact O-N 2.77Å; R90-E96 IonicContact NH2-OE1 3.59Å
91T29.1Very low55.6Low113 Ų113101.2 Ų101.269%0.69352%0.519SS*.  trans-94.1109.9153.1-47.20000102.9Q89 S93Q89-T91 PolarHBondContact O-N 2.6Å; T91-S93 PolarHBondContact O-N 2.74Å
92D34.5Very low55Low148 Ų148104.6 Ų104.679%0.79154%0.535SS*.THydrogen-bonded Turntrans-74.351.5-163.3-59.6-59.9000113.5
93S39.9Very low54.6Low95 Ų95105.7 Ų105.766%0.66454%0.541SS*.THydrogen-bonded Turntrans-151.11.9-170.466.90000117T91T91-S93 PolarHBondContact O-N 2.74Å
94E41.9Very low54.2Low179 Ų179103 Ų10384%0.83653%0.528SS*.SBendtrans-124.5147.2173.3-65.1-170.9173.600110.2
95E41.2Very low54Low190 Ų190105.4 Ų105.489%0.88854%0.541SS*.  trans-66.3150.3-170.7-61.2178.6139.800111.4S97E95-S97 PolarHBondContact O-N 2.99Å
96E41.7Very low54.5Low172 Ų172106.6 Ų106.680%0.80454%0.54SS*.  trans-67.191.6-179.9-70.6-171.4146.100110.5R90 L98R90-E96 IonicContact NH2-OE1 3.59Å; E96-L98 PolarHBondContact O-N 3.43Å
97S54.7Low55.7Low108 Ų108103.6 Ų103.676%0.75552%0.523SS*.PPolyproline II helixtrans-59.5120.7177.257.50000110.3E95E95-S97 PolarHBondContact O-N 2.99Å
98L58.2Low57.4Low88 Ų8896.8 Ų96.846%0.46149%0.487SS..PPolyproline II helixtrans-56.8142.3171.6-64.1173.1000110.1E96 E102 E103 T106E96-L98 PolarHBondContact O-N 3.43Å; L98-E102 HydrophobicContact CB-CB 4.15Å; L98-E102 HydrophobicContact CD2-CB 4.32Å; L98-E103 HydrophobicContact CB-CG 3.78Å; L98-T106 HydrophobicContact CD1-CG2 4.4Å
99T74.7Confident59.1Low24 Ų2490.5 Ų90.515%0.14747%0.474CS..PPolyproline II helixtrans-69.5154171.963.60000109.9Y31 P101 E102 E103Y31-T99 HydrophobicContact CE1-CG2 4.41Å; Y31-T99 WeakPolarHBondContact OH-CB 3.5Å; Y31-T99 WeakPolarHBondContact OH-CG2 3.34Å; T99-P101 VanDerWaalsContact C-CD 3.42Å; T99-P101 VanDerWaalsContact C-N 3.33Å; T99-P101 VanDerWaalsContact O-N 3.16Å; T99-E102 WeakPolarHBondContact CB-OE2 3.34Å; T99-E102 PolarHBondContact N-OE2 2.66Å; T99-E102 CarbonylContact O-C 3.53Å; T99-E102 WeakPolarHBondContact O-CA 3.17Å; T99-E102 WeakPolarHBondContact O-CB 3.47Å; T99-E102 PolarHBondContact O-N 3.01Å; T99-E102 WeakPolarHBondContact OG1-CG 3.03Å; T99-E102 PolarHBondContact OG1-OE2 3.33Å; T99-E103 PolarHBondContact O-N 3.44Å
100T74.9Confident60.7Low9 Ų988 Ų886%0.05547%0.466CS..Hα-helixtrans-55.8-31.9-17754.20000116.1F65 E82 E102 C104F65-T100 VanDerWaalsContact CD1-OG1 3.27Å; F65-T100 WeakPolarHBondContact CD1-OG1 3.33Å; E82-T100 HydrophobicContact CB-CG2 3.87Å; E82-T100 HydrophobicContact CG-CG2 4.47Å; E82-T100 VanDerWaalsContact OE2-CB 3.27Å; E82-T100 WeakPolarHBondContact OE2-CB 3.42Å; E82-T100 WeakPolarHBondContact OE2-CG2 3.44Å; E82-T100 PolarHBondContact OE2-N 3.38Å; E82-T100 VanDerWaalsContact OE2-N 3.1Å; E82-T100 PolarHBondContact OE2-OG1 3.06Å; T100-E102 VanDerWaalsContact C-N 3.35Å; T100-C104 VanDerWaalsContact O-CB 3.3Å; T100-C104 WeakPolarHBondContact O-CB 3.34Å; T100-C104 PolarHBondContact O-N 3.44Å
101P75.1Confident62.1Low3 Ų382.8 Ų82.82%0.01945%0.45CS..Hα-helixtrans-68.8-29.7170.125.8-34.2000113.5L27 N28 Y31 T99 C104 L105L27-P101 HydrophobicContact CD2-CB 4.41Å; N28-P101 WeakPolarHBondContact OD1-CB 3.5Å; Y31-P101 HydrophobicContact CD1-CG 3.99Å; Y31-P101 HydrophobicContact CD2-CG 4.37Å; Y31-P101 HydrophobicContact CE1-CG 4.22Å; Y31-P101 HydrophobicContact CG-CG 4.08Å; T99-P101 VanDerWaalsContact C-CD 3.42Å; T99-P101 VanDerWaalsContact C-N 3.33Å; T99-P101 VanDerWaalsContact O-N 3.16Å; P101-C104 PolarHBondContact O-N 3.46Å; P101-L105 WeakPolarHBondContact O-CB 3.46Å; P101-L105 WeakPolarHBondContact O-CD1 3.3Å; P101-L105 VanDerWaalsContact O-CG 3.27Å; P101-L105 WeakPolarHBondContact O-CG 3.47Å; P101-L105 PolarHBondContact O-N 2.98Å
102E75.2Confident63.5Low92 Ų9282.4 Ų82.443%0.4344%0.44SS..Hα-helixtrans-77.1-39176.7-65.5165.7144.300111.5L98 T99 T100 C104 L105 T106L98-E102 HydrophobicContact CB-CB 4.15Å; L98-E102 HydrophobicContact CD2-CB 4.32Å; T99-E102 WeakPolarHBondContact CB-OE2 3.34Å; T99-E102 PolarHBondContact N-OE2 2.66Å; T99-E102 CarbonylContact O-C 3.53Å; T99-E102 WeakPolarHBondContact O-CA 3.17Å; T99-E102 WeakPolarHBondContact O-CB 3.47Å; T99-E102 PolarHBondContact O-N 3.01Å; T99-E102 WeakPolarHBondContact OG1-CG 3.03Å; T99-E102 PolarHBondContact OG1-OE2 3.33Å; T100-E102 VanDerWaalsContact C-N 3.35Å; E102-C104 VanDerWaalsContact C-N 3.29Å; E102-C104 PolarHBondContact O-N 3.03Å; E102-L105 PolarHBondContact O-N 3.29Å; E102-T106 WeakPolarHBondContact O-CB 3.38Å; E102-T106 WeakPolarHBondContact O-CG2 3.23Å; E102-T106 PolarHBondContact O-N 3.38Å; E102-T106 PolarHBondContact O-OG1 3.32Å
103E78Confident64.3Low69 Ų6979.6 Ų79.632%0.32244%0.438SS..Hα-helixtrans-57-43.2166.6-67.6-168.7141.500111.3F76 L98 T99 T106 S107F76-E103 HydrophobicContact CE2-CB 4.37Å; F76-E103 HydrophobicContact CZ-CB 3.92Å; L98-E103 HydrophobicContact CB-CG 3.78Å; T99-E103 PolarHBondContact O-N 3.44Å; E103-T106 WeakPolarHBondContact CA-OG1 3.4Å; E103-T106 PolarHBondContact O-OG1 2.85Å; E103-T106 VanDerWaalsContact O-OG1 3.09Å; E103-S107 WeakPolarHBondContact O-CB 3.39Å; E103-S107 PolarHBondContact O-N 2.97Å; E103-S107 PolarHBondContact O-OG 3.35Å
104C78.6Confident64.8Low0 Ų078.2 Ų78.20%043%0.432CS..Hα-helixtrans-64.3-46.5178.1-174.70000111.9V69 F76 T100 P101 E102 S107 L108V69-C104 WeakPolarHBondContact CG2-SG 3.49Å; F76-C104 HydrophobicContact CD1-CB 3.6Å; F76-C104 WeakPolarHBondContact CD1-SG 3.21Å; F76-C104 HydrophobicContact CE1-CB 3.59Å; F76-C104 HydrophobicContact CG-CB 4.22Å; F76-C104 HydrophobicContact CZ-CB 4.2Å; T100-C104 VanDerWaalsContact O-CB 3.3Å; T100-C104 WeakPolarHBondContact O-CB 3.34Å; T100-C104 PolarHBondContact O-N 3.44Å; P101-C104 PolarHBondContact O-N 3.46Å; E102-C104 VanDerWaalsContact C-N 3.29Å; E102-C104 PolarHBondContact O-N 3.03Å; C104-S107 PolarHBondContact O-N 3.12Å; C104-L108 WeakPolarHBondContact O-CB 3.42Å; C104-L108 VanDerWaalsContact O-CG 3.26Å; C104-L108 WeakPolarHBondContact O-CG 3.48Å; C104-L108 PolarHBondContact O-N 3.29Å
105L78Confident65.2Low60 Ų6077.6 Ų77.631%0.31443%0.434SS..Hα-helixtrans-65-44.2179.9-77.5164.8000112.1L24 P101 E102 S109L24-L105 HydrophobicContact CD1-CD2 3.56Å; L24-L105 HydrophobicContact CD1-CG 4.49Å; P101-L105 WeakPolarHBondContact O-CB 3.46Å; P101-L105 WeakPolarHBondContact O-CD1 3.3Å; P101-L105 VanDerWaalsContact O-CG 3.27Å; P101-L105 WeakPolarHBondContact O-CG 3.47Å; P101-L105 PolarHBondContact O-N 2.98Å; E102-L105 PolarHBondContact O-N 3.29Å; L105-S109 WeakPolarHBondContact O-CB 3.43Å; L105-S109 PolarHBondContact O-N 3.09Å; L105-S109 VanDerWaalsContact O-N 3.14Å
106T76.3Confident66Low63 Ų6376.1 Ų76.139%0.38743%0.432SS..Hα-helixtrans-66.8-40.9177.150.30000111.8L98 E102 E103 N110L98-T106 HydrophobicContact CD1-CG2 4.4Å; E102-T106 WeakPolarHBondContact O-CB 3.38Å; E102-T106 WeakPolarHBondContact O-CG2 3.23Å; E102-T106 PolarHBondContact O-N 3.38Å; E102-T106 PolarHBondContact O-OG1 3.32Å; E103-T106 WeakPolarHBondContact CA-OG1 3.4Å; E103-T106 PolarHBondContact O-OG1 2.85Å; E103-T106 VanDerWaalsContact O-OG1 3.09Å; T106-N110 VanDerWaalsContact O-CG 3.23Å; T106-N110 PolarHBondContact O-N 3.31Å; T106-N110 VanDerWaalsContact O-N 3.1Å; T106-N110 PolarHBondContact O-ND2 3.1Å; T106-N110 VanDerWaalsContact O-ND2 3.1Å
107S76.4Confident66.8Low36 Ų3674.4 Ų74.425%0.25243%0.428SS..Hα-helixtrans-65-43.3178.1-620000113F76 E103 C104 N110 Q111F76-S107 VanDerWaalsContact CD2-CB 3.45Å; F76-S107 WeakPolarHBondContact CE2-OG 3.49Å; E103-S107 WeakPolarHBondContact O-CB 3.39Å; E103-S107 PolarHBondContact O-N 2.97Å; E103-S107 PolarHBondContact O-OG 3.35Å; C104-S107 PolarHBondContact O-N 3.12Å; S107-N110 PolarHBondContact O-N 3.25Å; S107-Q111 WeakPolarHBondContact O-CG 3.34Å; S107-Q111 PolarHBondContact O-N 2.78Å
108L74.3Confident67.4Low6 Ų672.1 Ų72.13%0.03141%0.411CS..Hα-helixtrans-65.4-45177.8-69.8168.4000111.3L24 V69 F76 C104 N110 Q111 E112L24-L108 HydrophobicContact CD1-CD1 4.19Å; V69-L108 HydrophobicContact CB-CD1 4.3Å; V69-L108 HydrophobicContact CG1-CD1 3.95Å; F76-L108 HydrophobicContact CB-CD2 4.38Å; F76-L108 HydrophobicContact CB-CG 4.48Å; C104-L108 WeakPolarHBondContact O-CB 3.42Å; C104-L108 VanDerWaalsContact O-CG 3.26Å; C104-L108 WeakPolarHBondContact O-CG 3.48Å; C104-L108 PolarHBondContact O-N 3.29Å; L108-N110 VanDerWaalsContact C-N 3.26Å; L108-N110 PolarHBondContact O-N 3.07Å; L108-Q111 PolarHBondContact O-N 3.26Å; L108-E112 PolarHBondContact O-N 3.11Å
109S71.8Confident68Low81 Ų8171.2 Ų71.257%0.56641%0.41SS*.Hα-helixtrans-55.5-39.9175-1740000112.6L105L105-S109 WeakPolarHBondContact O-CB 3.43Å; L105-S109 PolarHBondContact O-N 3.09Å; L105-S109 VanDerWaalsContact O-N 3.14Å
110N66.8Low68Low126 Ų12672.4 Ų72.467%0.67442%0.415SS*.Hα-helixtrans-72.9-24.2177.5-70.1-30.4000113.8T106 S107 L108T106-N110 VanDerWaalsContact O-CG 3.23Å; T106-N110 PolarHBondContact O-N 3.31Å; T106-N110 VanDerWaalsContact O-N 3.1Å; T106-N110 PolarHBondContact O-ND2 3.1Å; T106-N110 VanDerWaalsContact O-ND2 3.1Å; S107-N110 PolarHBondContact O-N 3.25Å; L108-N110 VanDerWaalsContact C-N 3.26Å; L108-N110 PolarHBondContact O-N 3.07Å
111Q63.7Low68.1Low76 Ų7674.4 Ų74.436%0.35543%0.433SS..Hα-helixtrans-84.2-26.1178.5-72.7179.618.100113.2T74 Q75 S107 L108 A113 A114T74-Q111 VanDerWaalsContact CB-OE1 3.26Å; T74-Q111 HydrophobicContact CG2-CB 3.64Å; Q75-Q111 VanDerWaalsContact N-OE1 3.1Å; Q75-Q111 PolarHBondContact O-NE2 3.22Å; Q75-Q111 PolarHBondContact O-OE1 2.88Å; S107-Q111 WeakPolarHBondContact O-CG 3.34Å; S107-Q111 PolarHBondContact O-N 2.78Å; L108-Q111 PolarHBondContact O-N 3.26Å; Q111-A113 PolarHBondContact O-N 2.93Å; Q111-A114 PolarHBondContact O-N 3.27Å
112E58.5Low68.3Low106 Ų10680.1 Ų80.150%0.49546%0.46SS..THydrogen-bonded Turntrans-67.1-0.1179.4-72.4173.7-17300113.8R71 T74 L108R71-E112 IonicContact CZ-OE1 2.65Å; R71-E112 IonicContact NE-OE1 3.61Å; R71-E112 IonicContact NH1-OE1 3.85Å; R71-E112 PolarHBondContact NH1-OE1 2.77Å; R71-E112 IonicContact NH1-OE2 3.31Å; T74-E112 HydrophobicContact CG2-CG 4.3Å; L108-E112 PolarHBondContact O-N 3.11Å
113A50.9Low68.7Low89 Ų8976 Ų7674%0.73644%0.44SS*.THydrogen-bonded Turntrans-102.712.3176.300000114.9Q111Q111-A113 PolarHBondContact O-N 2.93Å
114A50.3Low69Low66 Ų6672.7 Ų72.755%0.54543%0.425SS..  trans-111.7124.2-178.700000112.9Q111 D116Q111-A114 PolarHBondContact O-N 3.27Å; A114-D116 PolarHBondContact O-N 3.43Å
115D50Low69.4Low165 Ų16578.5 Ų78.588%0.88245%0.452SS*.SBendtrans-75-18.6-173.7-68.1-50.1000115.2L117D115-L117 PolarHBondContact O-N 2.87Å
116D57.1Low69.8Low159 Ų15981.7 Ų81.785%0.8547%0.465SS*.  trans-88.191.7-178-85.9-39.4000111.5A114 P118A114-D116 PolarHBondContact O-N 3.43Å; D116-P118 WeakPolarHBondContact O-CD 3.49Å
117L60.1Low70.3Confident136 Ų13678.7 Ų78.771%0.71245%0.447SS*.  trans-75.8115.8-179.6-62.4167.5000112.5A73 D115A73-L117 HydrophobicContact CB-CB 4.34Å; A73-L117 HydrophobicContact CB-CD2 3.56Å; D115-L117 PolarHBondContact O-N 2.87Å
118P65.6Low70.9Confident60 Ų6077.1 Ų77.139%0.3944%0.436SS..  trans-72.1153176.829.1-35.9000112.9D116D116-P118 WeakPolarHBondContact O-CD 3.49Å
119P72.5Confident71.6Confident70 Ų7080.8 Ų80.846%0.45546%0.456SS..  trans-62.3138.9172.6-20.132.3000112.3A121 E122 L123P119-A121 PolarHBondContact O-N 3.03Å; P119-E122 HydrophobicContact CB-CG 4.29Å; P119-E122 WeakPolarHBondContact CD-OE2 3.49Å; P119-E122 HydrophobicContact CG-CG 4.25Å; P119-E122 PolarHBondContact O-N 3.01Å; P119-L123 PolarHBondContact O-N 3.34Å; P119-L123 VanDerWaalsContact O-N 3.1Å
120L73.9Confident72.3Confident48 Ų4877.3 Ų77.325%0.25143%0.433SS..Hα-helixtrans-51.4-31.5177.6179.763.1000113.8F10 L124F10-L120 HydrophobicContact CE2-CD1 4.5Å; L120-L124 HydrophobicContact CD1-CD1 4.15Å; L120-L124 HydrophobicContact CD1-CG 4.3Å; L120-L124 HydrophobicContact CG-CD1 4.05Å; L120-L124 WeakPolarHBondContact O-CB 3.18Å; L120-L124 VanDerWaalsContact O-CG 3.27Å; L120-L124 WeakPolarHBondContact O-CG 3.38Å; L120-L124 PolarHBondContact O-N 3.45Å
121A76.5Confident73.4Confident52 Ų5271.3 Ų71.343%0.4340%0.401SS..Hα-helixtrans-68.9-40.7176.200000112.8P119 L124 E125P119-A121 PolarHBondContact O-N 3.03Å; A121-L124 PolarHBondContact O-N 2.89Å; A121-E125 WeakPolarHBondContact O-CG 3.5Å; A121-E125 PolarHBondContact O-N 3.11Å
122E80.8Confident74.6Confident123 Ų12368.3 Ų68.358%0.57539%0.387SS*.Hα-helixtrans-70.3-40.1178.6-63.5-179.5-173.100110.2P119 L124 E125 E126P119-E122 HydrophobicContact CB-CG 4.29Å; P119-E122 WeakPolarHBondContact CD-OE2 3.49Å; P119-E122 HydrophobicContact CG-CG 4.25Å; P119-E122 PolarHBondContact O-N 3.01Å; E122-L124 VanDerWaalsContact C-N 3.35Å; E122-L124 PolarHBondContact O-N 2.84Å; E122-E125 PolarHBondContact O-N 3.43Å; E122-E126 PolarHBondContact O-N 3.02Å
123L83.3Confident76Confident5 Ų569.4 Ų69.43%0.02639%0.392CS..Hα-helixtrans-59-42.6172-175.1152.6000112.3C70 A73 Q75 P119 A127C70-L123 HydrophobicContact CB-CD2 3.82Å; A73-L123 WeakPolarHBondContact O-CD1 3.13Å; Q75-L123 HydrophobicContact CB-CD1 4.21Å; Q75-L123 HydrophobicContact CB-CD2 4.13Å; Q75-L123 HydrophobicContact CB-CG 3.97Å; Q75-L123 HydrophobicContact CG-CG 4.1Å; P119-L123 PolarHBondContact O-N 3.34Å; P119-L123 VanDerWaalsContact O-N 3.1Å; L123-A127 WeakPolarHBondContact O-CB 3.4Å; L123-A127 PolarHBondContact O-N 3.34Å
124L83.9Confident77.8Confident0 Ų065.2 Ų65.20%036%0.357CS..Hα-helixtrans-73.7-26.6177.4-74.8171.8000113.4F10 L120 A121 E122 A128 D162 L163 L166F10-L124 HydrophobicContact CE2-CD2 4.13Å; L120-L124 HydrophobicContact CD1-CD1 4.15Å; L120-L124 HydrophobicContact CD1-CG 4.3Å; L120-L124 HydrophobicContact CG-CD1 4.05Å; L120-L124 WeakPolarHBondContact O-CB 3.18Å; L120-L124 VanDerWaalsContact O-CG 3.27Å; L120-L124 WeakPolarHBondContact O-CG 3.38Å; L120-L124 PolarHBondContact O-N 3.45Å; A121-L124 PolarHBondContact O-N 2.89Å; E122-L124 VanDerWaalsContact C-N 3.35Å; E122-L124 PolarHBondContact O-N 2.84Å; L124-A128 VanDerWaalsContact O-CB 3.28Å; L124-A128 WeakPolarHBondContact O-CB 3.09Å; L124-A128 PolarHBondContact O-N 2.82Å; L124-A128 VanDerWaalsContact O-N 3.13Å; L124-D162 WeakPolarHBondContact CD1-O 3.39Å; L124-L163 HydrophobicContact CD1-CD2 4.37Å; L124-L166 HydrophobicContact CD2-CD2 4.34Å
125E86.3Confident79.6Confident121 Ų12162.2 Ų62.257%0.56533%0.332SS*.Hα-helixtrans-71.7-43.9169.9-76.3-172.8177.600111.6A121 E122 A128 D129 P165A121-E125 WeakPolarHBondContact O-CG 3.5Å; A121-E125 PolarHBondContact O-N 3.11Å; E122-E125 PolarHBondContact O-N 3.43Å; E125-A128 WeakPolarHBondContact O-CB 3.35Å; E125-A128 PolarHBondContact O-N 3.13Å; E125-D129 PolarHBondContact O-N 3.29Å; E125-P165 HydrophobicContact CG-CB 3.92Å; E125-P165 HydrophobicContact CG-CG 3.51Å
126E86.9Confident81.2Confident127 Ų12756 Ų5659%0.59330%0.299SS*.Hα-helixtrans-65-43.5177.4-163.3-174-158.600111.7Q75 E122 A128 D129 G130Q75-E126 PolarHBondContact NE2-OE2 3.46Å; E122-E126 PolarHBondContact O-N 3.02Å; E126-A128 VanDerWaalsContact C-N 3.31Å; E126-A128 PolarHBondContact O-N 2.89Å; E126-D129 PolarHBondContact O-N 3.02Å; E126-G130 PolarHBondContact O-N 3.07Å
127A87.6Confident82.6Confident0 Ų052.8 Ų52.80%028%0.277CS..Hα-helixtrans-58.7-40.6171.400000112Q68 L123 G130 L131Q68-A127 PolarHBondContact OE1-O 3.13Å; L123-A127 WeakPolarHBondContact O-CB 3.4Å; L123-A127 PolarHBondContact O-N 3.34Å; A127-G130 PolarHBondContact O-N 2.72Å; A127-L131 WeakPolarHBondContact O-CG 3.28Å; A127-L131 PolarHBondContact O-N 2.75Å
128A88.9Confident83.8Confident4 Ų446.4 Ų46.43%0.03324%0.244CC..Hα-helixtrans-66.3-37.717800000112.9L124 E125 E126 L131 H132 P165 A169L124-A128 VanDerWaalsContact O-CB 3.28Å; L124-A128 WeakPolarHBondContact O-CB 3.09Å; L124-A128 PolarHBondContact O-N 2.82Å; L124-A128 VanDerWaalsContact O-N 3.13Å; E125-A128 WeakPolarHBondContact O-CB 3.35Å; E125-A128 PolarHBondContact O-N 3.13Å; E126-A128 VanDerWaalsContact C-N 3.31Å; E126-A128 PolarHBondContact O-N 2.89Å; A128-L131 PolarHBondContact O-N 2.81Å; A128-H132 PolarHBondContact O-CD2 2.7Å; A128-H132 PolarHBondContact O-N 3.5Å; A128-P165 VanDerWaalsContact CB-C 3.45Å; A128-P165 HydrophobicContact CB-CB 3.63Å; A128-P165 WeakPolarHBondContact CB-O 3.35Å; A128-A169 HydrophobicContact CB-CB 4.19Å
129D87.8Confident84.6Confident83 Ų8343.9 Ų43.944%0.44423%0.227SC..Hα-helixtrans-76.3-25.7174.4-91-10.4000112.8E125 E126 H132 Q133 K347E125-D129 PolarHBondContact O-N 3.29Å; E126-D129 PolarHBondContact O-N 3.02Å; D129-H132 PolarHBondContact O-N 3.16Å; D129-H132 IonicContact OD1-CD2 2.75Å; D129-H132 PolarHBondContact OD1-CD2 2.89Å; D129-H132 VanDerWaalsContact OD1-CD2 3.31Å; D129-Q133 WeakPolarHBondContact O-CG 3.21Å; D129-Q133 PolarHBondContact O-N 3.49Å; D129-Q133 PolarHBondContact O-NE2 2.7Å; D129-Q133 VanDerWaalsContact O-NE2 3.09Å; D129-K347 IonicContact OD1-NZ 2.67Å; D129-K347 PolarHBondContact OD1-NZ 3.15Å
130G87.1Confident84.9Confident8 Ų840.6 Ų40.68%0.08221%0.206CC..Hα-helixtrans-60.5-49.1163.500000112.1E126 A127 H132 Q133 L134E126-G130 PolarHBondContact O-N 3.07Å; A127-G130 PolarHBondContact O-N 2.72Å; G130-H132 VanDerWaalsContact C-N 3.32Å; G130-H132 PolarHBondContact O-N 3.44Å; G130-Q133 WeakPolarHBondContact O-CB 3.47Å; G130-Q133 PolarHBondContact O-N 2.73Å; G130-Q133 VanDerWaalsContact O-N 3.11Å; G130-L134 PolarHBondContact O-N 3.33Å
131L90.3Very high85.1Confident0 Ų040.2 Ų40.20%021%0.207CC..Hα-helixtrans-62.8-34173.8-67.8-162.6000113.4L6 L8 Q68 A127 A128 L134 T135 L166 A169 M173L6-L131 HydrophobicContact CD1-CD2 4.28Å; L6-L131 HydrophobicContact CD2-CD2 3.8Å; L8-L131 HydrophobicContact CD1-CD1 4.16Å; L8-L131 HydrophobicContact CD2-CD1 3.97Å; L8-L131 HydrophobicContact CD2-CD2 4.26Å; Q68-L131 HydrophobicContact CB-CD2 3.91Å; Q68-L131 HydrophobicContact CG-CD2 4.09Å; A127-L131 WeakPolarHBondContact O-CG 3.28Å; A127-L131 PolarHBondContact O-N 2.75Å; A128-L131 PolarHBondContact O-N 2.81Å; L131-L134 HydrophobicContact CD2-CD1 4.35Å; L131-T135 PolarHBondContact O-N 3.19Å; L131-T135 PolarHBondContact O-OG1 3.49Å; L131-L166 HydrophobicContact CD1-CD1 3.7Å; L131-A169 HydrophobicContact CB-CB 3.79Å; L131-A169 HydrophobicContact CD1-CB 4.2Å; L131-M173 HydrophobicContact CB-CE 3.86Å; L131-M173 HydrophobicContact CD1-CE 4.47Å; L131-M173 HydrophobicContact CD2-CE 4.24Å; L131-M173 HydrophobicContact CG-CE 4.41Å; L131-M173 VanDerWaalsContact O-CE 3.29Å; L131-M173 WeakPolarHBondContact O-CE 3.46Å
132H88.8Confident85.2Confident13 Ų1338.2 Ų38.26%0.0619%0.191CC..Hα-helixtrans-64.2-42.1171.6-79.3-61.8000111.8A128 D129 G130 T135 D136 H172 K347A128-H132 PolarHBondContact O-CD2 2.7Å; A128-H132 PolarHBondContact O-N 3.5Å; D129-H132 PolarHBondContact O-N 3.16Å; D129-H132 IonicContact OD1-CD2 2.75Å; D129-H132 PolarHBondContact OD1-CD2 2.89Å; D129-H132 VanDerWaalsContact OD1-CD2 3.31Å; G130-H132 VanDerWaalsContact C-N 3.32Å; G130-H132 PolarHBondContact O-N 3.44Å; H132-T135 WeakPolarHBondContact O-CB 3.48Å; H132-T135 PolarHBondContact O-N 3.16Å; H132-D136 PolarHBondContact O-N 2.94Å; H132-H172 AromaticContact CE1-CG 3.85Å; H132-H172 AromaticContact CE1-ND1 3.73Å; H132-H172 AromaticContact ND1-CE1 3.48Å; H132-H172 PolarHBondContact ND1-CE1 3.11Å; H132-H172 AromaticContact ND1-CG 3.71Å; H132-H172 AromaticContact ND1-ND1 3.12Å; H132-H172 PolarHBondContact ND1-ND1 3.2Å; H132-H172 VanDerWaalsContact ND1-ND1 3.12Å; H132-K347 PolarHBondContact CD2-NZ 2.99Å; H132-K347 WeakPolarHBondContact NE2-CE 3.42Å
133Q87.3Confident85.3Confident128 Ų12833.2 Ų33.260%0.59817%0.167SC*.Hα-helixtrans-63.1-46.1175.5-71.5168.579.500112.2D129 G130 T135 D136 K137D129-Q133 WeakPolarHBondContact O-CG 3.21Å; D129-Q133 PolarHBondContact O-N 3.49Å; D129-Q133 PolarHBondContact O-NE2 2.7Å; D129-Q133 VanDerWaalsContact O-NE2 3.09Å; G130-Q133 WeakPolarHBondContact O-CB 3.47Å; G130-Q133 PolarHBondContact O-N 2.73Å; G130-Q133 VanDerWaalsContact O-N 3.11Å; Q133-T135 VanDerWaalsContact C-N 3.26Å; Q133-T135 PolarHBondContact O-N 2.98Å; Q133-D136 PolarHBondContact O-N 3.18Å; Q133-K137 PolarHBondContact O-N 3.5Å
134L88.3Confident85.4Confident2 Ų233.2 Ų33.21%0.0117%0.168CC..Hα-helixtrans-60.4-34.5173.4-77.2175.4000112.5L6 A66 W81 G130 L131L6-L134 HydrophobicContact CD1-CD1 4.27Å; A66-L134 HydrophobicContact CB-CD1 4.11Å; A66-L134 HydrophobicContact CB-CD2 4.28Å; W81-L134 HydrophobicContact CZ2-CB 4.19Å; W81-L134 PolarHBondContact NE1-O 3.33Å; G130-L134 PolarHBondContact O-N 3.33Å; L131-L134 HydrophobicContact CD2-CD1 4.35Å
135T88.1Confident85.6Confident2 Ų233.7 Ų33.71%0.01217%0.17CC..Hα-helixtrans-66.8-41.6174.8-48.80000111.9L131 H132 Q133 K137 L138 H172 M173 W176L131-T135 PolarHBondContact O-N 3.19Å; L131-T135 PolarHBondContact O-OG1 3.49Å; H132-T135 WeakPolarHBondContact O-CB 3.48Å; H132-T135 PolarHBondContact O-N 3.16Å; Q133-T135 VanDerWaalsContact C-N 3.26Å; Q133-T135 PolarHBondContact O-N 2.98Å; T135-K137 PolarHBondContact O-N 2.82Å; T135-L138 HydrophobicContact CG2-CD1 4.48Å; T135-L138 WeakPolarHBondContact O-CB 3.1Å; T135-L138 PolarHBondContact O-N 3.01Å; T135-L138 VanDerWaalsContact O-N 3.15Å; T135-H172 VanDerWaalsContact CG2-CE1 3.44Å; T135-H172 WeakPolarHBondContact CG2-CE1 3.5Å; T135-H172 WeakPolarHBondContact CG2-ND1 3.33Å; T135-H172 PolarHBondContact OG1-ND1 3.11Å; T135-M173 HydrophobicContact CG2-CG 4.25Å; T135-M173 VanDerWaalsContact OG1-CE 3.26Å; T135-M173 WeakPolarHBondContact OG1-CE 3.5Å; T135-M173 WeakPolarHBondContact OG1-CG 3.34Å; T135-W176 HydrophobicContact CG2-CE3 4.04Å
136D85.3Confident85.8Confident35 Ų3528 Ų2819%0.18714%0.144CC..Hα-helixtrans-69.8-20.8-177.6-71.6-2.3000112.5H132 Q133 H172 S342 S343H132-D136 PolarHBondContact O-N 2.94Å; Q133-D136 PolarHBondContact O-N 3.18Å; D136-H172 IonicContact OD1-CE1 3.59Å; D136-S342 WeakPolarHBondContact OD2-CA 3.23Å; D136-S343 WeakPolarHBondContact OD1-CB 3.39Å; D136-S343 PolarHBondContact OD1-N 3.05Å; D136-S343 VanDerWaalsContact OD2-CB 3.28Å; D136-S343 WeakPolarHBondContact OD2-CB 3.38Å; D136-S343 PolarHBondContact OD2-N 3.3Å; D136-S343 PolarHBondContact OD2-OG 3.47Å
137K85.7Confident86Confident91 Ų9121.9 Ų21.940%0.39612%0.115SC..THydrogen-bonded Turntrans-81.3-15.8171.7-67.3-168.9178-171.30114.7S79 D80 Q133 T135S79-K137 PolarHBondContact O-NZ 2.82Å; D80-K137 HydrophobicContact CB-CD 4.44Å; D80-K137 VanDerWaalsContact OD1-CD 3.32Å; D80-K137 WeakPolarHBondContact OD1-CD 3.37Å; D80-K137 IonicContact OD1-NZ 3.65Å; D80-K137 WeakPolarHBondContact OD2-CD 3.36Å; D80-K137 WeakPolarHBondContact OD2-CE 3.33Å; D80-K137 IonicContact OD2-NZ 2.68Å; D80-K137 PolarHBondContact OD2-NZ 2.86Å; Q133-K137 PolarHBondContact O-N 3.5Å; T135-K137 PolarHBondContact O-N 2.82Å
138L85Confident86.2Confident2 Ų221.9 Ų21.91%0.0112%0.115CC..SBendtrans-67.3146.1179.8-72.1168.7000111.6Y4 W81 T135 L146 Q177Y4-L138 HydrophobicContact CD1-CD2 3.33Å; Y4-L138 HydrophobicContact CD2-CD2 4.13Å; Y4-L138 HydrophobicContact CE1-CD2 3.73Å; Y4-L138 HydrophobicContact CE2-CD2 4.43Å; Y4-L138 HydrophobicContact CG-CD2 3.56Å; W81-L138 HydrophobicContact CD2-CD2 4.4Å; W81-L138 HydrophobicContact CH2-CD2 4.24Å; W81-L138 HydrophobicContact CZ2-CD1 4.12Å; W81-L138 HydrophobicContact CZ2-CD2 3.58Å; W81-L138 HydrophobicContact CZ2-CG 3.9Å; T135-L138 HydrophobicContact CG2-CD1 4.48Å; T135-L138 WeakPolarHBondContact O-CB 3.1Å; T135-L138 PolarHBondContact O-N 3.01Å; T135-L138 VanDerWaalsContact O-N 3.15Å; L138-L146 HydrophobicContact CD1-CD2 3.81Å; L138-Q177 HydrophobicContact CD1-CG 3.96Å
139P82.1Confident86.3Confident7 Ų721.8 Ų21.85%0.04511%0.114CC..PPolyproline II helixtrans-65.7162173.531.1-36.7000110.9Y4 K143 A144 Q177Y4-P139 HydrophobicContact CE2-CG 3.93Å; Y4-P139 WeakPolarHBondContact OH-CD 3.36Å; P139-K143 HydrophobicContact CB-CB 4.26Å; P139-K143 HydrophobicContact CB-CD 3.89Å; P139-K143 HydrophobicContact CB-CG 4.17Å; P139-K143 HydrophobicContact CG-CB 4.41Å; P139-K143 HydrophobicContact CG-CD 4.35Å; P139-K143 HydrophobicContact CG-CG 4.19Å; P139-A144 HydrophobicContact CG-CB 3.73Å; P139-Q177 PolarHBondContact O-NE2 2.75Å
140P78.9Confident86.3Confident1 Ų118 Ų181%0.0069%0.094CC..PPolyproline II helixtrans-52.9148.6179.8-2730.9000114.3G142 K143 Y269 P336 L341 V362 V364P140-G142 PolarHBondContact O-N 2.89Å; P140-K143 PolarHBondContact O-N 3.23Å; P140-K143 VanDerWaalsContact O-N 3.14Å; P140-Y269 HydrophobicContact CB-CD1 4.03Å; P140-Y269 HydrophobicContact CB-CE1 3.69Å; P140-Y269 HydrophobicContact CG-CE1 3.74Å; P140-P336 HydrophobicContact CG-CG 3.36Å; P140-L341 HydrophobicContact CG-CD1 4.19Å; P140-V362 HydrophobicContact CB-CG1 4.04Å; P140-V362 HydrophobicContact CG-CG1 4.07Å; P140-V364 HydrophobicContact CB-CG2 4.3Å
141P77.9Confident86.2Confident41 Ų4118.3 Ų18.327%0.2669%0.094SC..BIsolated β-bridgetrans-55132.117822.8-34000110.7W176 Q177P141-W176 WeakPolarHBondContact CB-O 3.15Å; P141-Q177 VanDerWaalsContact CA-OE1 3.31Å
142G78.3Confident85.8Confident9 Ų918.4 Ų18.49%0.09310%0.095CC..THydrogen-bonded Turntrans103.9-12.7-17400000115.4M1 P140 Y270M1-G142 VanDerWaalsContact CE-O 3.25Å; M1-G142 WeakPolarHBondContact CE-O 3.41Å; P140-G142 PolarHBondContact O-N 2.89Å; G142-Y270 WeakPolarHBondContact CA-O 3.37Å; G142-Y270 WeakPolarHBondContact O-CD2 3.44Å; G142-Y270 PolarHBondContact O-N 3.5Å
143K83.4Confident84.7Confident18 Ų1821 Ų218%0.07811%0.114CC..THydrogen-bonded Turntrans-96.4-44.6166.7174169.6170.1-178.40112.3M1 D2 P139 P140 F267 Y269M1-K143 CarbonylContact C-O 3.45Å; M1-K143 WeakPolarHBondContact CA-O 3.48Å; M1-K143 WeakPolarHBondContact CB-O 3.45Å; M1-K143 WeakPolarHBondContact CG-O 3.29Å; D2-K143 PolarHBondContact N-O 3.23Å; D2-K143 WeakPolarHBondContact OD2-CE 3.38Å; D2-K143 WeakPolarHBondContact OD2-CG 3.34Å; D2-K143 IonicContact OD2-NZ 3.16Å; P139-K143 HydrophobicContact CB-CB 4.26Å; P139-K143 HydrophobicContact CB-CD 3.89Å; P139-K143 HydrophobicContact CB-CG 4.17Å; P139-K143 HydrophobicContact CG-CB 4.41Å; P139-K143 HydrophobicContact CG-CD 4.35Å; P139-K143 HydrophobicContact CG-CG 4.19Å; P140-K143 PolarHBondContact O-N 3.23Å; P140-K143 VanDerWaalsContact O-N 3.14Å; K143-F267 HydrophobicContact CD-CD1 4.33Å; K143-Y269 HydrophobicContact CB-CD1 3.65Å; K143-Y269 HydrophobicContact CB-CE1 3.45Å; K143-Y269 VanDerWaalsContact CB-CE1 3.45Å; K143-Y269 HydrophobicContact CB-CG 4.44Å; K143-Y269 HydrophobicContact CD-CE1 4.05Å; K143-Y269 HydrophobicContact CG-CE1 4.35Å
144A85.2Confident83.3Confident6 Ų615.1 Ų15.15%0.059%0.087CC..EExtended strand (participates in β ladder)trans-91.7154.2179.200000114D2 Y4 P139D2-A144 CarbonylContact O-C 3.53Å; D2-A144 WeakPolarHBondContact O-CA 3.41Å; Y4-A144 HydrophobicContact CD2-CB 3.48Å; Y4-A144 VanDerWaalsContact CD2-CB 3.48Å; Y4-A144 HydrophobicContact CE2-CB 3.62Å; P139-A144 HydrophobicContact CG-CB 3.73Å
145L88.9Confident81.9Confident9 Ų921.2 Ų21.25%0.04712%0.116CC..EExtended strand (participates in β ladder)trans-117.7110.7159-70.9174.2000108.8M1 D2 Y4 R219M1-L145 HydrophobicContact CB-CD1 3.98Å; M1-L145 HydrophobicContact CB-CG 3.82Å; M1-L145 HydrophobicContact CG-CG 4.3Å; M1-L145 HydrophobicContact SD-CD1 3.86Å; M1-L145 HydrophobicContact SD-CD2 3.52Å; M1-L145 VanDerWaalsContact SD-CD2 3.52Å; M1-L145 HydrophobicContact SD-CG 3.48Å; M1-L145 WeakPolarHBondContact SD-CG 3.15Å; D2-L145 PolarHBondContact O-N 3.43Å; Y4-L145 PolarHBondContact N-O 2.93Å; L145-R219 HydrophobicContact CD2-CB 3.87Å; L145-R219 HydrophobicContact CD2-CG 3.82Å
146L90.6Very high80.7Confident1 Ų126.2 Ų26.21%0.00515%0.148CC..EExtended strand (participates in β ladder)trans-92.1124.3178179.657.6000111.2Y4 L6 W81 L138 V148 M173 Q177 A179 K180 R219Y4-L146 WeakPolarHBondContact O-CA 3.32Å; L6-L146 HydrophobicContact CB-CD1 4.48Å; W81-L146 HydrophobicContact CH2-CD1 3.77Å; W81-L146 HydrophobicContact CZ3-CD1 4.44Å; L138-L146 HydrophobicContact CD1-CD2 3.81Å; L146-V148 HydrophobicContact CD1-CG2 4.11Å; L146-V148 HydrophobicContact CD2-CG2 4.17Å; L146-V148 HydrophobicContact CG-CG2 3.87Å; L146-M173 HydrophobicContact CD2-CB 3.96Å; L146-M173 HydrophobicContact CD2-CG 4.09Å; L146-M173 HydrophobicContact CD2-SD 4.16Å; L146-Q177 HydrophobicContact CD2-CB 4.35Å; L146-A179 HydrophobicContact CB-CB 4.12Å; L146-A179 HydrophobicContact CD2-CB 3.73Å; L146-A179 HydrophobicContact CG-CB 3.84Å; L146-A179 WeakPolarHBondContact O-CA 3.36Å; L146-K180 PolarHBondContact O-N 3.34Å; L146-R219 PolarHBondContact O-NH1 2.81Å
147D91.1Very high79.6Confident0 Ų026.5 Ų26.50%015%0.153CC..EExtended strand (participates in β ladder)trans-109134.6165-73.9-98.7000109R3 Y4 V5 L6 I212 R219R3-D147 IonicContact CZ-OD2 3.49Å; R3-D147 IonicContact NH1-OD2 2.69Å; R3-D147 PolarHBondContact NH1-OD2 3.13Å; Y4-D147 PolarHBondContact O-N 3.48Å; V5-D147 WeakPolarHBondContact CA-O 3.14Å; L6-D147 PolarHBondContact N-O 3.25Å; D147-I212 HydrophobicContact CB-CG1 4.37Å; D147-R219 VanDerWaalsContact CG-NH1 3.31Å; D147-R219 IonicContact OD1-CZ 3.92Å; D147-R219 IonicContact OD1-NH1 3.03Å; D147-R219 PolarHBondContact OD1-NH1 3.29Å; D147-R219 IonicContact OD1-NH2 2.84Å; D147-R219 PolarHBondContact OD1-NH2 2.99Å; D147-R219 IonicContact OD2-CZ 2.74Å; D147-R219 VanDerWaalsContact OD2-CZ 3.23Å; D147-R219 IonicContact OD2-NH1 3.98Å; D147-R219 PolarHBondContact OD2-NH1 3.41Å; D147-R219 IonicContact OD2-NH2 2.72Å; D147-R219 PolarHBondContact OD2-NH2 3Å
148V91.6Very high78.8Confident0 Ų023 Ų230%014%0.139CC..EExtended strand (participates in β ladder)trans-125125.3179.1-174.80000108.8L6 L8 L146 L170 M173 A179 K180 I181 N182L6-V148 HydrophobicContact CB-CG1 4.41Å; L6-V148 HydrophobicContact CB-CG2 4.37Å; L6-V148 HydrophobicContact CD2-CG1 4.05Å; L6-V148 HydrophobicContact CD2-CG2 4.42Å; L6-V148 HydrophobicContact CG-CG1 4.29Å; L6-V148 WeakPolarHBondContact O-CA 3.35Å; L8-V148 HydrophobicContact CD1-CG1 3.64Å; L146-V148 HydrophobicContact CD1-CG2 4.11Å; L146-V148 HydrophobicContact CD2-CG2 4.17Å; L146-V148 HydrophobicContact CG-CG2 3.87Å; V148-L170 HydrophobicContact CG1-CD2 3.76Å; V148-M173 HydrophobicContact CG2-SD 4.25Å; V148-A179 HydrophobicContact CG2-CB 4.21Å; V148-K180 PolarHBondContact N-O 3.12Å; V148-I181 HydrophobicContact CB-CG1 4.19Å; V148-I181 HydrophobicContact CG2-CG1 4.49Å; V148-I181 CarbonylContact O-C 3.47Å; V148-I181 WeakPolarHBondContact O-CA 3.47Å; V148-N182 PolarHBondContact O-N 3.41Å
149L90Very high78.2Confident2 Ų225.5 Ų25.51%0.0116%0.157CC..EExtended strand (participates in β ladder)trans-114.1104.7-178.3-54.6-171.4000109.8L6 L8 I30 L151 N182 L208 C211 I212L6-L149 PolarHBondContact O-N 3.17Å; L8-L149 PolarHBondContact N-O 2.92Å; I30-L149 HydrophobicContact CD1-CD1 4.07Å; I30-L149 HydrophobicContact CG2-CD1 4.47Å; L149-L151 PolarHBondContact O-N 3.39Å; L149-N182 HydrophobicContact CD2-CB 3.92Å; L149-N182 WeakPolarHBondContact CD2-ND2 3.27Å; L149-L208 HydrophobicContact CD1-CD1 4.26Å; L149-C211 HydrophobicContact CD2-CB 4.49Å; L149-C211 WeakPolarHBondContact CD2-SG 3.49Å; L149-I212 HydrophobicContact CD1-CD1 3.99Å; L149-I212 HydrophobicContact CD1-CG1 4.43Å; L149-I212 HydrophobicContact CD2-CG1 4.49Å
150L88.3Confident77.7Confident3 Ų328.2 Ų28.22%0.01618%0.18CC..EExtended strand (participates in β ladder)trans-89.3100.8173.4179.161.9000109.7L8 F10 A152 N182 I183 V184 W191L8-L150 HydrophobicContact CB-CB 4.44Å; L8-L150 HydrophobicContact CB-CD1 3.72Å; L8-L150 CarbonylContact O-C 3.48Å; L8-L150 WeakPolarHBondContact O-CA 3.17Å; F10-L150 HydrophobicContact CB-CD1 4.49Å; L150-A152 PolarHBondContact O-N 3.09Å; L150-N182 PolarHBondContact N-O 3.27Å; L150-I183 HydrophobicContact CB-CG1 4.34Å; L150-I183 HydrophobicContact CD2-CD1 4.34Å; L150-I183 HydrophobicContact CD2-CG1 4.19Å; L150-I183 HydrophobicContact CD2-CG2 4.26Å; L150-I183 HydrophobicContact CG-CG2 4.47Å; L150-V184 PolarHBondContact O-N 2.9Å; L150-W191 HydrophobicContact CD2-CE3 4.38Å; L150-W191 HydrophobicContact CD2-CH2 4.38Å; L150-W191 HydrophobicContact CD2-CZ3 3.82Å
151L85.7Confident77.6Confident15 Ų1535.8 Ų35.88%0.07921%0.213CC..EExtended strand (participates in β ladder)trans-78.799170.2-50.4-178.8000108.3V7 L8 F10 P26 I30 L149 V184 L208V7-L151 HydrophobicContact CG1-CD1 3.69Å; V7-L151 HydrophobicContact CG1-CG 4.03Å; L8-L151 PolarHBondContact O-N 2.9Å; F10-L151 PolarHBondContact N-O 2.7Å; P26-L151 HydrophobicContact CB-CD1 4.24Å; I30-L151 HydrophobicContact CD1-CD1 4.33Å; I30-L151 HydrophobicContact CD1-CD2 4.47Å; L149-L151 PolarHBondContact O-N 3.39Å; L151-V184 HydrophobicContact CD2-CB 4.02Å; L151-V184 HydrophobicContact CD2-CG1 4.38Å; L151-V184 HydrophobicContact CD2-CG2 4.31Å; L151-L208 HydrophobicContact CD2-CD1 3.87Å
152A80.5Confident77.7Confident2 Ų237 Ų372%0.01722%0.217CC..EExtended strand (participates in β ladder)trans-103.189.717900000109.8L150 V184 T185 W191L150-A152 PolarHBondContact O-N 3.09Å; A152-V184 PolarHBondContact N-O 3Å; A152-T185 WeakPolarHBondContact O-CB 3.44Å; A152-T185 PolarHBondContact O-OG1 2.74Å; A152-W191 HydrophobicContact CB-CD2 4.14Å; A152-W191 HydrophobicContact CB-CH2 4.11Å; A152-W191 HydrophobicContact CB-CZ2 3.51Å
153S66.4Low77.8Confident68 Ų6836.8 Ų36.848%0.47621%0.214SC..  trans-86.3-18.4177530000113.3F10 C23 E155F10-S153 PolarHBondContact O-N 3.13Å; F10-S153 PolarHBondContact O-OG 3.01Å; C23-S153 PolarHBondContact SG-OG 2.94Å; S153-E155 PolarHBondContact O-N 3.3Å
154A57.4Low78Confident4 Ų441.1 Ų41.13%0.03324%0.237CC..  trans-63.4122.2179.500000113.8F10 Q12F10-A154 HydrophobicContact CD1-CB 3.78Å; F10-A154 HydrophobicContact CE1-CB 3.72Å; Q12-A154 HydrophobicContact CB-CB 3.9Å
155E59.2Low78.1Confident130 Ų13042.5 Ų42.561%0.60725%0.246SC*.SBendtrans-113.2129.8156.8-64.7-150.3117.900109.3S153 N187S153-E155 PolarHBondContact O-N 3.3Å; E155-N187 HydrophobicContact CG-CB 4.5Å; E155-N187 WeakPolarHBondContact OE1-CB 3.37Å; E155-N187 PolarHBondContact OE1-ND2 2.97Å
156P62.7Low78Confident107 Ų10742.3 Ų42.370%0.69525%0.245SC*.SBendcis-74.4162.3-5.633.6-36.4000112.6
157S63.6Low77.8Confident41 Ų4143.3 Ų43.329%0.28725%0.25SC..PPolyproline II helixtrans-61.9130.1169.858.80000110.7
158P68.9Low77.6Confident16 Ų1644.6 Ų44.610%0.10426%0.264CS..PPolyproline II helixtrans-61.1160.2177.226.7-36.6000111.6F10 L163F10-P158 HydrophobicContact CE1-CG 3.66Å; F10-P158 HydrophobicContact CZ-CB 4.38Å; F10-P158 HydrophobicContact CZ-CG 3.78Å; P158-L163 HydrophobicContact CB-CG 4.46Å; P158-L163 HydrophobicContact CG-CD1 3.99Å; P158-L163 HydrophobicContact CG-CD2 3.81Å; P158-L163 HydrophobicContact CG-CG 3.87Å
159S72.3Confident77.5Confident56 Ų5644.6 Ų44.639%0.39226%0.264SS..PPolyproline II helixtrans-68.5145.1-173.8102.90000111.1K161 D162 L163S159-K161 PolarHBondContact O-N 3.47Å; S159-K161 PolarHBondContact OG-N 2.67Å; S159-D162 WeakPolarHBondContact CB-OD2 3.41Å; S159-D162 PolarHBondContact N-OD2 2.81Å; S159-D162 PolarHBondContact O-N 3.07Å; S159-D162 VanDerWaalsContact OG-CG 3.24Å; S159-D162 PolarHBondContact OG-OD2 3.39Å; S159-L163 PolarHBondContact O-N 3.13Å
160A71.8Confident77.5Confident63 Ų6344.5 Ų44.552%0.52126%0.263SS..THydrogen-bonded Turntrans-66.20.9179.500000114.2L164A160-L164 WeakPolarHBondContact O-CG 3.1Å
161K76.6Confident77.4Confident161 Ų16147 Ų4770%0.727%0.274SS*.THydrogen-bonded Turntrans-87.3-43167-66.6-179.4179.1177.10111.7S159 L163 L164S159-K161 PolarHBondContact O-N 3.47Å; S159-K161 PolarHBondContact OG-N 2.67Å; K161-L163 VanDerWaalsContact C-N 3.34Å; K161-L164 WeakPolarHBondContact O-CB 3.35Å; K161-L164 WeakPolarHBondContact O-CD1 3.22Å; K161-L164 WeakPolarHBondContact O-CG 3.33Å; K161-L164 PolarHBondContact O-N 3.18Å; K161-L164 VanDerWaalsContact O-N 3.12Å
162D78.8Confident77.4Confident66 Ų6646.2 Ų46.235%0.35327%0.27SS..THydrogen-bonded Turntrans-72.7-35.4-173-40.5-48.3000109.7L124 S159 L164 P165L124-D162 WeakPolarHBondContact CD1-O 3.39Å; S159-D162 WeakPolarHBondContact CB-OD2 3.41Å; S159-D162 PolarHBondContact N-OD2 2.81Å; S159-D162 PolarHBondContact O-N 3.07Å; S159-D162 VanDerWaalsContact OG-CG 3.24Å; S159-D162 PolarHBondContact OG-OD2 3.39Å; D162-L164 PolarHBondContact O-N 2.95Å; D162-P165 WeakPolarHBondContact O-CD 3.46Å
163L81.9Confident77.8Confident4 Ų446.1 Ų46.12%0.02127%0.269CS..THydrogen-bonded Turntrans-69-7.3171.1-68.2179.4000114.9L124 P158 S159 K161 P165 L166 L167 W191 V194L124-L163 HydrophobicContact CD1-CD2 4.37Å; P158-L163 HydrophobicContact CB-CG 4.46Å; P158-L163 HydrophobicContact CG-CD1 3.99Å; P158-L163 HydrophobicContact CG-CD2 3.81Å; P158-L163 HydrophobicContact CG-CG 3.87Å; S159-L163 PolarHBondContact O-N 3.13Å; K161-L163 VanDerWaalsContact C-N 3.34Å; L163-P165 VanDerWaalsContact C-CD 3.43Å; L163-L166 HydrophobicContact CD2-CD2 4.4Å; L163-L166 PolarHBondContact O-N 2.85Å; L163-L166 VanDerWaalsContact O-N 3.17Å; L163-L167 HydrophobicContact CB-CD1 3.98Å; L163-L167 HydrophobicContact CB-CG 4.01Å; L163-L167 VanDerWaalsContact O-CG 3.29Å; L163-L167 WeakPolarHBondContact O-CG 3.2Å; L163-L167 PolarHBondContact O-N 3.33Å; L163-W191 HydrophobicContact CD1-CH2 3.86Å; L163-W191 HydrophobicContact CD1-CZ3 3.82Å; L163-V194 HydrophobicContact CD1-CG2 4.33Å
164L85.8Confident78.7Confident109 Ų10943.9 Ų43.957%0.57126%0.255SS*.Hα-helixtrans-53.9-40.4-171.7-78.8171.6000115.3A160 K161 D162 G168A160-L164 WeakPolarHBondContact O-CG 3.1Å; K161-L164 WeakPolarHBondContact O-CB 3.35Å; K161-L164 WeakPolarHBondContact O-CD1 3.22Å; K161-L164 WeakPolarHBondContact O-CG 3.33Å; K161-L164 PolarHBondContact O-N 3.18Å; K161-L164 VanDerWaalsContact O-N 3.12Å; D162-L164 PolarHBondContact O-N 2.95Å; L164-G168 PolarHBondContact O-N 3.17Å
165P87.2Confident79.7Confident35 Ų3545.5 Ų45.523%0.22727%0.265CS..Hα-helixtrans-61.7-50.9176.7-21.333.3000111.6E125 A128 D162 L163 L167 G168 A169E125-P165 HydrophobicContact CG-CB 3.92Å; E125-P165 HydrophobicContact CG-CG 3.51Å; A128-P165 VanDerWaalsContact CB-C 3.45Å; A128-P165 HydrophobicContact CB-CB 3.63Å; A128-P165 WeakPolarHBondContact CB-O 3.35Å; D162-P165 WeakPolarHBondContact O-CD 3.46Å; L163-P165 VanDerWaalsContact C-CD 3.43Å; P165-L167 VanDerWaalsContact C-N 3.34Å; P165-L167 PolarHBondContact O-N 3.37Å; P165-G168 WeakPolarHBondContact O-CA 3.43Å; P165-G168 PolarHBondContact O-N 3.41Å; P165-A169 PolarHBondContact O-N 3.18Å
166L87Confident80.6Confident6 Ų639.6 Ų39.63%0.03124%0.237CC..Hα-helixtrans-62.1-40179.5-167.573.3000111.9L8 L124 L131 L163 G168 A169 L170L8-L166 HydrophobicContact CD2-CD1 4.36Å; L124-L166 HydrophobicContact CD2-CD2 4.34Å; L131-L166 HydrophobicContact CD1-CD1 3.7Å; L163-L166 HydrophobicContact CD2-CD2 4.4Å; L163-L166 PolarHBondContact O-N 2.85Å; L163-L166 VanDerWaalsContact O-N 3.17Å; L166-G168 VanDerWaalsContact C-N 3.29Å; L166-G168 PolarHBondContact O-N 3.39Å; L166-A169 PolarHBondContact O-N 2.67Å; L166-L170 HydrophobicContact CG-CD1 4.39Å; L166-L170 WeakPolarHBondContact O-CB 3.38Å; L166-L170 WeakPolarHBondContact O-CG 3.47Å; L166-L170 PolarHBondContact O-N 2.8Å
167L87.6Confident81.4Confident21 Ų2135.1 Ų35.111%0.1121%0.207CC..Hα-helixtrans-65.9-31.8173.3-63.2179.5000112.2L163 P165 K171 V194 L198L163-L167 HydrophobicContact CB-CD1 3.98Å; L163-L167 HydrophobicContact CB-CG 4.01Å; L163-L167 VanDerWaalsContact O-CG 3.29Å; L163-L167 WeakPolarHBondContact O-CG 3.2Å; L163-L167 PolarHBondContact O-N 3.33Å; P165-L167 VanDerWaalsContact C-N 3.34Å; P165-L167 PolarHBondContact O-N 3.37Å; L167-K171 VanDerWaalsContact O-CB 3.26Å; L167-K171 WeakPolarHBondContact O-CB 3.46Å; L167-K171 PolarHBondContact O-N 3.03Å; L167-V194 HydrophobicContact CD2-CG1 3.54Å; L167-L198 HydrophobicContact CD2-CD1 3.79Å; L167-L198 HydrophobicContact CD2-CD2 4.39Å; L167-L198 HydrophobicContact CD2-CG 4.18Å
168G87.2Confident82.3Confident28 Ų2835.6 Ų35.629%0.28921%0.214SC..Hα-helixtrans-63.7-48.7171.400000112.5L164 P165 L166 K171 H172L164-G168 PolarHBondContact O-N 3.17Å; P165-G168 WeakPolarHBondContact O-CA 3.43Å; P165-G168 PolarHBondContact O-N 3.41Å; L166-G168 VanDerWaalsContact C-N 3.29Å; L166-G168 PolarHBondContact O-N 3.39Å; G168-K171 PolarHBondContact O-N 3.31Å; G168-H172 WeakPolarHBondContact O-CB 3.48Å; G168-H172 PolarHBondContact O-N 3.06Å
169A89.3Confident83.1Confident0 Ų035.4 Ų35.40%021%0.214CC..Hα-helixtrans-66.7-38.5176.600000112.7A128 L131 P165 L166 K171 H172 M173A128-A169 HydrophobicContact CB-CB 4.19Å; L131-A169 HydrophobicContact CB-CB 3.79Å; L131-A169 HydrophobicContact CD1-CB 4.2Å; P165-A169 PolarHBondContact O-N 3.18Å; L166-A169 PolarHBondContact O-N 2.67Å; A169-K171 PolarHBondContact O-N 3.34Å; A169-H172 VanDerWaalsContact O-CB 3.29Å; A169-H172 WeakPolarHBondContact O-CB 3.45Å; A169-H172 PolarHBondContact O-N 3.25Å; A169-M173 PolarHBondContact O-N 3Å; A169-M173 VanDerWaalsContact O-N 3.1Å
170L89.6Confident83.9Confident0 Ų034.3 Ų34.30%020%0.202CC..Hα-helixtrans-64.5-39171.7-76.3172.3000112L8 V148 L166 M173 A174 I181 L198L8-L170 HydrophobicContact CD1-CD1 4.49Å; L8-L170 HydrophobicContact CD1-CD2 3.68Å; L8-L170 HydrophobicContact CD1-CG 4.42Å; V148-L170 HydrophobicContact CG1-CD2 3.76Å; L166-L170 HydrophobicContact CG-CD1 4.39Å; L166-L170 WeakPolarHBondContact O-CB 3.38Å; L166-L170 WeakPolarHBondContact O-CG 3.47Å; L166-L170 PolarHBondContact O-N 2.8Å; L170-M173 PolarHBondContact O-N 2.91Å; L170-A174 WeakPolarHBondContact O-CB 3.07Å; L170-A174 PolarHBondContact O-N 3.5Å; L170-I181 HydrophobicContact CB-CD1 4.07Å; L170-I181 HydrophobicContact CD2-CD1 4.16Å; L170-L198 HydrophobicContact CB-CD1 4.07Å; L170-L198 HydrophobicContact CB-CD2 3.77Å; L170-L198 HydrophobicContact CD1-CD1 3.79Å
171K87.1Confident84.8Confident54 Ų5431.7 Ų31.724%0.23518%0.179CC..Hα-helixtrans-70.3-32.2175.6-158.968.6177.4-176.20112.5L167 G168 A169 A174 C175 S197 L198L167-K171 VanDerWaalsContact O-CB 3.26Å; L167-K171 WeakPolarHBondContact O-CB 3.46Å; L167-K171 PolarHBondContact O-N 3.03Å; G168-K171 PolarHBondContact O-N 3.31Å; A169-K171 PolarHBondContact O-N 3.34Å; K171-A174 PolarHBondContact O-N 2.98Å; K171-C175 VanDerWaalsContact O-CB 3.29Å; K171-C175 WeakPolarHBondContact O-CB 3.45Å; K171-C175 PolarHBondContact O-N 3.07Å; K171-S197 PolarHBondContact NZ-O 3.46Å; K171-L198 HydrophobicContact CB-CD2 4.33Å; K171-L198 HydrophobicContact CD-CD2 4.26Å
172H85.3Confident85.4Confident0 Ų024 Ų240%015%0.145CC..Hα-helixtrans-56.7-54.7170.2178.5-130.4000110.9H132 T135 D136 G168 A169 A174 C175 W176 W346H132-H172 AromaticContact CE1-CG 3.85Å; H132-H172 AromaticContact CE1-ND1 3.73Å; H132-H172 AromaticContact ND1-CE1 3.48Å; H132-H172 PolarHBondContact ND1-CE1 3.11Å; H132-H172 AromaticContact ND1-CG 3.71Å; H132-H172 AromaticContact ND1-ND1 3.12Å; H132-H172 PolarHBondContact ND1-ND1 3.2Å; H132-H172 VanDerWaalsContact ND1-ND1 3.12Å; T135-H172 VanDerWaalsContact CG2-CE1 3.44Å; T135-H172 WeakPolarHBondContact CG2-CE1 3.5Å; T135-H172 WeakPolarHBondContact CG2-ND1 3.33Å; T135-H172 PolarHBondContact OG1-ND1 3.11Å; D136-H172 IonicContact OD1-CE1 3.59Å; G168-H172 WeakPolarHBondContact O-CB 3.48Å; G168-H172 PolarHBondContact O-N 3.06Å; A169-H172 VanDerWaalsContact O-CB 3.29Å; A169-H172 WeakPolarHBondContact O-CB 3.45Å; A169-H172 PolarHBondContact O-N 3.25Å; H172-A174 PolarHBondContact O-N 3.19Å; H172-C175 PolarHBondContact O-N 3.49Å; H172-W176 AromaticContact CD2-CE3 3.83Å; H172-W176 AromaticContact CE1-CE3 3.71Å; H172-W176 AromaticContact CE1-CZ3 3.74Å; H172-W176 AromaticContact NE2-CE3 3.19Å; H172-W176 AromaticContact NE2-CZ3 3.26Å; H172-W176 VanDerWaalsContact NE2-CZ3 3.26Å; H172-W176 WeakPolarHBondContact NE2-CZ3 3.46Å; H172-W176 VanDerWaalsContact O-CB 3.31Å; H172-W176 WeakPolarHBondContact O-CB 3.33Å; H172-W176 PolarHBondContact O-N 3.4Å; H172-W346 HydrophobicContact CB-CE3 4.36Å; H172-W346 HydrophobicContact CB-CH2 3.68Å; H172-W346 HydrophobicContact CB-CZ2 3.94Å; H172-W346 HydrophobicContact CB-CZ3 3.91Å; H172-W346 AromaticContact CD2-CD1 4Å; H172-W346 AromaticContact CD2-CD2 3.25Å; H172-W346 AromaticContact CD2-CE2 3.58Å; H172-W346 AromaticContact CD2-CE3 3.43Å; H172-W346 VanDerWaalsContact CD2-CE3 3.43Å; H172-W346 AromaticContact CD2-CG 3.53Å; H172-W346 AromaticContact CD2-CZ3 3.89Å; H172-W346 AromaticContact NE2-CD2 3.94Å; H172-W346 AromaticContact NE2-CG 3.83Å
173M87.6Confident85.8Confident0 Ų020.9 Ų20.90%013%0.129CC..Hα-helixtrans-59.3-47.4176.1-68.2176.9178.400112.6L6 L131 T135 L146 V148 A169 L170 C175 Q177 A179L6-M173 HydrophobicContact CD2-CE 3.72Å; L6-M173 HydrophobicContact CD2-SD 3.8Å; L131-M173 HydrophobicContact CB-CE 3.86Å; L131-M173 HydrophobicContact CD1-CE 4.47Å; L131-M173 HydrophobicContact CD2-CE 4.24Å; L131-M173 HydrophobicContact CG-CE 4.41Å; L131-M173 VanDerWaalsContact O-CE 3.29Å; L131-M173 WeakPolarHBondContact O-CE 3.46Å; T135-M173 HydrophobicContact CG2-CG 4.25Å; T135-M173 VanDerWaalsContact OG1-CE 3.26Å; T135-M173 WeakPolarHBondContact OG1-CE 3.5Å; T135-M173 WeakPolarHBondContact OG1-CG 3.34Å; L146-M173 HydrophobicContact CD2-CB 3.96Å; L146-M173 HydrophobicContact CD2-CG 4.09Å; L146-M173 HydrophobicContact CD2-SD 4.16Å; V148-M173 HydrophobicContact CG2-SD 4.25Å; A169-M173 PolarHBondContact O-N 3Å; A169-M173 VanDerWaalsContact O-N 3.1Å; L170-M173 PolarHBondContact O-N 2.91Å; M173-C175 PolarHBondContact O-N 2.99Å; M173-Q177 PolarHBondContact O-N 3.14Å; M173-A179 HydrophobicContact CB-CB 4.03Å
174A85.7Confident86Confident21 Ų2121 Ų2117%0.17413%0.13CC..Hα-helixtrans-63.1-40.6-179.300000113.1L170 K171 H172 A178 I181L170-A174 WeakPolarHBondContact O-CB 3.07Å; L170-A174 PolarHBondContact O-N 3.5Å; K171-A174 PolarHBondContact O-N 2.98Å; H172-A174 PolarHBondContact O-N 3.19Å; A174-A178 WeakPolarHBondContact O-CA 3.29Å; A174-A178 PolarHBondContact O-N 3.05Å; A174-I181 HydrophobicContact CB-CD1 3.94Å
175C79.3Confident86Confident37 Ų3716 Ų1625%0.2510%0.104CC..Hα-helixtrans-77.4-41.2179.3-75.30000112.7K171 H172 M173 V359K171-C175 VanDerWaalsContact O-CB 3.29Å; K171-C175 WeakPolarHBondContact O-CB 3.45Å; K171-C175 PolarHBondContact O-N 3.07Å; H172-C175 PolarHBondContact O-N 3.49Å; M173-C175 PolarHBondContact O-N 2.99Å; C175-V359 WeakPolarHBondContact O-CG2 3.39Å
176W78.3Confident85.6Confident7 Ų722.4 Ų22.43%0.02713%0.13CC..Hα-helixtrans-79.3-50.2-175.7-159.9-10.7000112.6T135 P141 H172 L341 V359 P360T135-W176 HydrophobicContact CG2-CE3 4.04Å; P141-W176 WeakPolarHBondContact CB-O 3.15Å; H172-W176 AromaticContact CD2-CE3 3.83Å; H172-W176 AromaticContact CE1-CE3 3.71Å; H172-W176 AromaticContact CE1-CZ3 3.74Å; H172-W176 AromaticContact NE2-CE3 3.19Å; H172-W176 AromaticContact NE2-CZ3 3.26Å; H172-W176 VanDerWaalsContact NE2-CZ3 3.26Å; H172-W176 WeakPolarHBondContact NE2-CZ3 3.46Å; H172-W176 VanDerWaalsContact O-CB 3.31Å; H172-W176 WeakPolarHBondContact O-CB 3.33Å; H172-W176 PolarHBondContact O-N 3.4Å; W176-L341 HydrophobicContact CZ2-CD2 3.82Å; W176-V359 HydrophobicContact CG-CG1 4.24Å; W176-P360 HydrophobicContact CZ2-CG 4.42Å
177Q78.9Confident85.3Confident12 Ų1223.9 Ų23.96%0.05614%0.139CC..SBendtrans-106.712.4-169.2-63.3-72.612.400113.1L138 P139 P141 L146 M173 A179L138-Q177 HydrophobicContact CD1-CG 3.96Å; P139-Q177 PolarHBondContact O-NE2 2.75Å; P141-Q177 VanDerWaalsContact CA-OE1 3.31Å; L146-Q177 HydrophobicContact CD2-CB 4.35Å; M173-Q177 PolarHBondContact O-N 3.14Å; Q177-A179 PolarHBondContact O-N 2.55Å; Q177-A179 VanDerWaalsContact O-N 3.16Å
178A81.8Confident84.9Confident52 Ų5226.8 Ų26.843%0.4315%0.153SC..  trans51.235.2-176.100000113.5A174 K180A174-A178 WeakPolarHBondContact O-CA 3.29Å; A174-A178 PolarHBondContact O-N 3.05Å; A178-K180 PolarHBondContact O-N 2.62Å
179A86.9Confident84.4Confident12 Ų1230 Ų3010%0.09917%0.171CC..  trans-58.4131.5-170.100000113.1L146 V148 M173 Q177 I181L146-A179 HydrophobicContact CB-CB 4.12Å; L146-A179 HydrophobicContact CD2-CB 3.73Å; L146-A179 HydrophobicContact CG-CB 3.84Å; L146-A179 WeakPolarHBondContact O-CA 3.36Å; V148-A179 HydrophobicContact CG2-CB 4.21Å; M173-A179 HydrophobicContact CB-CB 4.03Å; Q177-A179 PolarHBondContact O-N 2.55Å; Q177-A179 VanDerWaalsContact O-N 3.16Å; A179-I181 PolarHBondContact O-N 2.99Å
180K88.8Confident83.8Confident32 Ų3231.2 Ų31.214%0.13918%0.184CC..EExtended strand (participates in β ladder)trans-83.895172.8-172.1-168.6176.3-167.30109.3L146 V148 A178 N182 C211L146-K180 PolarHBondContact O-N 3.34Å; V148-K180 PolarHBondContact N-O 3.12Å; A178-K180 PolarHBondContact O-N 2.62Å; K180-N182 WeakPolarHBondContact CE-OD1 3.28Å; K180-N182 PolarHBondContact O-ND2 3.39Å; K180-C211 PolarHBondContact NZ-O 3.28Å
181I89.8Confident83.3Confident8 Ų831.4 Ų31.44%0.04119%0.185CC..EExtended strand (participates in β ladder)trans-82.2126175.1-53.8172.4000109.4V148 L170 A174 A179 I183 L198 A200 Q201V148-I181 HydrophobicContact CB-CG1 4.19Å; V148-I181 HydrophobicContact CG2-CG1 4.49Å; V148-I181 CarbonylContact O-C 3.47Å; V148-I181 WeakPolarHBondContact O-CA 3.47Å; L170-I181 HydrophobicContact CB-CD1 4.07Å; L170-I181 HydrophobicContact CD2-CD1 4.16Å; A174-I181 HydrophobicContact CB-CD1 3.94Å; A179-I181 PolarHBondContact O-N 2.99Å; I181-I183 HydrophobicContact CG2-CG1 4.47Å; I181-L198 HydrophobicContact CD1-CB 4.22Å; I181-L198 HydrophobicContact CD1-CD1 4.27Å; I181-L198 HydrophobicContact CD1-CD2 4.37Å; I181-L198 HydrophobicContact CG2-CD1 4.47Å; I181-A200 HydrophobicContact CB-CB 3.76Å; I181-A200 HydrophobicContact CG2-CB 3.64Å; I181-A200 CarbonylContact O-C 3.55Å; I181-A200 VanDerWaalsContact O-CA 3.29Å; I181-A200 WeakPolarHBondContact O-CA 3.34Å; I181-A200 WeakPolarHBondContact O-CB 3.4Å; I181-Q201 PolarHBondContact O-N 3.38Å
182N89.1Confident83.2Confident0 Ų034.8 Ų34.80%020%0.201CC..EExtended strand (participates in β ladder)trans-118.1130.7170.4-48.3-93.9000108.1V148 L149 L150 K180 Q201 L203V148-N182 PolarHBondContact O-N 3.41Å; L149-N182 HydrophobicContact CD2-CB 3.92Å; L149-N182 WeakPolarHBondContact CD2-ND2 3.27Å; L150-N182 PolarHBondContact N-O 3.27Å; K180-N182 WeakPolarHBondContact CE-OD1 3.28Å; K180-N182 PolarHBondContact O-ND2 3.39Å; N182-Q201 CarbonylContact C-O 3.56Å; N182-Q201 VanDerWaalsContact CA-O 3.24Å; N182-Q201 WeakPolarHBondContact CA-O 3.4Å; N182-L203 HydrophobicContact CB-CD1 4.11Å
183I87.9Confident83Confident0 Ų043 Ų430%024%0.237CC..EExtended strand (participates in β ladder)trans-105.4121.1175-54.6-178.7000107.3L150 I181 W191 V194 A195 A200 Q201 L202 L203L150-I183 HydrophobicContact CB-CG1 4.34Å; L150-I183 HydrophobicContact CD2-CD1 4.34Å; L150-I183 HydrophobicContact CD2-CG1 4.19Å; L150-I183 HydrophobicContact CD2-CG2 4.26Å; L150-I183 HydrophobicContact CG-CG2 4.47Å; I181-I183 HydrophobicContact CG2-CG1 4.47Å; I183-W191 HydrophobicContact CD1-CE3 4.45Å; I183-W191 HydrophobicContact CG2-CB 4.33Å; I183-W191 HydrophobicContact CG2-CD2 4.32Å; I183-W191 HydrophobicContact CG2-CE3 4.23Å; I183-W191 HydrophobicContact CG2-CG 4.36Å; I183-V194 HydrophobicContact CD1-CG1 3.93Å; I183-A195 HydrophobicContact CD1-CB 4.1Å; I183-A200 HydrophobicContact CD1-CB 4.13Å; I183-A200 HydrophobicContact CG1-CB 4.04Å; I183-Q201 PolarHBondContact N-O 3.1Å; I183-L202 HydrophobicContact CB-CD1 3.89Å; I183-L202 HydrophobicContact CG2-CD1 3.88Å; I183-L202 CarbonylContact O-C 3.54Å; I183-L202 WeakPolarHBondContact O-CA 3.47Å; I183-L203 PolarHBondContact O-N 2.97Å
184V87Confident82.8Confident7 Ų743.5 Ų43.54%0.04224%0.24CC..EExtended strand (participates in β ladder)trans-110.9112.6-176-175.60000107.9L150 L151 A152 L203 P205 L208L150-V184 PolarHBondContact O-N 2.9Å; L151-V184 HydrophobicContact CD2-CB 4.02Å; L151-V184 HydrophobicContact CD2-CG1 4.38Å; L151-V184 HydrophobicContact CD2-CG2 4.31Å; A152-V184 PolarHBondContact N-O 3Å; V184-L203 WeakPolarHBondContact CA-O 3.38Å; V184-L203 HydrophobicContact CG2-CB 4.33Å; V184-P205 HydrophobicContact CG1-CB 4.38Å; V184-P205 HydrophobicContact CG1-CG 4.35Å; V184-L208 HydrophobicContact CG1-CB 4.5Å; V184-L208 HydrophobicContact CG1-CD1 4.39Å; V184-L208 HydrophobicContact CG2-CD1 3.98Å
185T84.2Confident82.8Confident5 Ų542.9 Ų42.93%0.03124%0.235CC..  trans-155.8157.9-175.8-169.10000111.4A152 N187 W191 L202 L203A152-T185 WeakPolarHBondContact O-CB 3.44Å; A152-T185 PolarHBondContact O-OG1 2.74Å; T185-N187 WeakPolarHBondContact CG2-O 3.27Å; T185-N187 PolarHBondContact OG1-N 3.07Å; T185-W191 HydrophobicContact CG2-CB 4.29Å; T185-W191 HydrophobicContact CG2-CG 4.22Å; T185-L202 HydrophobicContact CG2-CD1 3.77Å; T185-L203 PolarHBondContact N-O 3.1Å
186Q80.1Confident83Confident168 Ų16845.1 Ų45.179%0.78525%0.251SS*.SBendtrans-81.1-34.8168.6-55.9-172.832.900110.6I188 P205Q186-I188 PolarHBondContact O-N 3.09Å; Q186-I188 VanDerWaalsContact O-N 3.1Å; Q186-P205 HydrophobicContact CG-CG 3.89Å
187N79.3Confident83.1Confident38 Ų3847.8 Ų47.820%0.20327%0.271CS..  trans-87.379.3-177.4-163.3-48.5000112E155 T185 S189 G190E155-N187 HydrophobicContact CG-CB 4.5Å; E155-N187 WeakPolarHBondContact OE1-CB 3.37Å; E155-N187 PolarHBondContact OE1-ND2 2.97Å; T185-N187 WeakPolarHBondContact CG2-O 3.27Å; T185-N187 PolarHBondContact OG1-N 3.07Å; N187-S189 VanDerWaalsContact C-N 3.29Å; N187-S189 PolarHBondContact O-N 3Å; N187-S189 PolarHBondContact OD1-OG 3.13Å; N187-G190 PolarHBondContact OD1-N 3.32Å
188I78.9Confident83.1Confident82 Ų8247.6 Ų47.642%0.42127%0.27SS..Hα-helixtrans-58.8-37.3-179-78.7171.8000112.8Q186 E192 L202 E204Q186-I188 PolarHBondContact O-N 3.09Å; Q186-I188 VanDerWaalsContact O-N 3.1Å; I188-E192 PolarHBondContact O-N 3.01Å; I188-L202 HydrophobicContact CB-CD2 4.17Å; I188-L202 HydrophobicContact CG1-CD2 4.22Å; I188-L202 HydrophobicContact CG1-CG 4.38Å; I188-L202 HydrophobicContact CG2-CD2 3.81Å; I188-L202 WeakPolarHBondContact O-CD2 3.36Å; I188-E204 HydrophobicContact CD1-CG 4.27Å
189S77.1Confident83Confident95 Ų9550.2 Ų50.266%0.66429%0.285SS*.Hα-helixtrans-76.2-33.8-172.755.60000113.8N187N187-S189 VanDerWaalsContact C-N 3.29Å; N187-S189 PolarHBondContact O-N 3Å; N187-S189 PolarHBondContact OD1-OG 3.13Å
190G76.6Confident82.9Confident26 Ų2650.3 Ų50.327%0.26829%0.286SS..Hα-helixtrans-63.8-42.8174.700000112.5N187N187-G190 PolarHBondContact OD1-N 3.32Å
191W80.8Confident82.7Confident4 Ų451.9 Ų51.92%0.01529%0.294CS..Hα-helixtrans-88.7-8.3-172.1-70.292.3000115.3L150 A152 L163 I183 T185 K193 V194 A195 L202L150-W191 HydrophobicContact CD2-CE3 4.38Å; L150-W191 HydrophobicContact CD2-CH2 4.38Å; L150-W191 HydrophobicContact CD2-CZ3 3.82Å; A152-W191 HydrophobicContact CB-CD2 4.14Å; A152-W191 HydrophobicContact CB-CH2 4.11Å; A152-W191 HydrophobicContact CB-CZ2 3.51Å; L163-W191 HydrophobicContact CD1-CH2 3.86Å; L163-W191 HydrophobicContact CD1-CZ3 3.82Å; I183-W191 HydrophobicContact CD1-CE3 4.45Å; I183-W191 HydrophobicContact CG2-CB 4.33Å; I183-W191 HydrophobicContact CG2-CD2 4.32Å; I183-W191 HydrophobicContact CG2-CE3 4.23Å; I183-W191 HydrophobicContact CG2-CG 4.36Å; T185-W191 HydrophobicContact CG2-CB 4.29Å; T185-W191 HydrophobicContact CG2-CG 4.22Å; W191-K193 VanDerWaalsContact C-N 3.31Å; W191-K193 PolarHBondContact O-N 3.24Å; W191-V194 HydrophobicContact CE3-CB 3.99Å; W191-V194 HydrophobicContact CE3-CG1 3.9Å; W191-V194 HydrophobicContact CE3-CG2 4.22Å; W191-V194 HydrophobicContact CZ3-CG1 4.08Å; W191-V194 HydrophobicContact CZ3-CG2 4.49Å; W191-V194 PolarHBondContact O-N 3.5Å; W191-V194 VanDerWaalsContact O-N 3.08Å; W191-A195 PolarHBondContact O-N 3.34Å; W191-L202 HydrophobicContact CB-CD1 3.97Å
192E83.4Confident82.5Confident124 Ų12452.9 Ų52.958%0.57930%0.299SS*.Hα-helixtrans-56.2-40-177.9-175.6178-141.900113.5I188 V194 A195 S196I188-E192 PolarHBondContact O-N 3.01Å; E192-V194 PolarHBondContact O-N 2.62Å; E192-A195 PolarHBondContact O-N 3.21Å; E192-S196 WeakPolarHBondContact O-CB 3.24Å; E192-S196 PolarHBondContact O-N 3.31Å; E192-S196 PolarHBondContact O-OG 3.19Å
193K82.7Confident82.3Confident174 Ų17453.8 Ų53.876%0.75730%0.304SS*.Hα-helixtrans-66.7-37178.5-68.2172.9-176164.90112.2W191 S197W191-K193 VanDerWaalsContact C-N 3.31Å; W191-K193 PolarHBondContact O-N 3.24Å; K193-S197 PolarHBondContact O-N 2.79Å
194V83.3Confident82.1Confident10 Ų1057.7 Ų57.76%0.06132%0.322CS..Hα-helixtrans-72.6-43.6176.8172.20000110.6L163 L167 I183 W191 E192 S196 S197 L198L163-V194 HydrophobicContact CD1-CG2 4.33Å; L167-V194 HydrophobicContact CD2-CG1 3.54Å; I183-V194 HydrophobicContact CD1-CG1 3.93Å; W191-V194 HydrophobicContact CE3-CB 3.99Å; W191-V194 HydrophobicContact CE3-CG1 3.9Å; W191-V194 HydrophobicContact CE3-CG2 4.22Å; W191-V194 HydrophobicContact CZ3-CG1 4.08Å; W191-V194 HydrophobicContact CZ3-CG2 4.49Å; W191-V194 PolarHBondContact O-N 3.5Å; W191-V194 VanDerWaalsContact O-N 3.08Å; E192-V194 PolarHBondContact O-N 2.62Å; V194-S196 VanDerWaalsContact C-N 3.27Å; V194-S196 PolarHBondContact O-N 3.31Å; V194-S197 PolarHBondContact O-N 2.65Å; V194-S197 PolarHBondContact O-OG 3.37Å; V194-S197 VanDerWaalsContact O-OG 3.07Å; V194-L198 HydrophobicContact CG1-CD1 4.17Å; V194-L198 PolarHBondContact O-N 3.17Å; V194-L198 VanDerWaalsContact O-N 3.16Å
195A84.6Confident81.7Confident7 Ų760 Ų606%0.05834%0.337CS..Hα-helixtrans-57.9-42.9173.200000111.2I183 W191 E192 S199 A200 L202I183-A195 HydrophobicContact CD1-CB 4.1Å; W191-A195 PolarHBondContact O-N 3.34Å; E192-A195 PolarHBondContact O-N 3.21Å; A195-S199 CarbonylContact O-C 3.49Å; A195-S199 WeakPolarHBondContact O-CA 3.49Å; A195-S199 PolarHBondContact O-N 2.78Å; A195-A200 PolarHBondContact O-N 2.88Å; A195-L202 HydrophobicContact CB-CB 4.41Å
196S82.9Confident81.4Confident85 Ų8564 Ų6459%0.59437%0.37SS*.Hα-helixtrans-66.1-37.6-179.9-61.20000113.8E192 V194E192-S196 WeakPolarHBondContact O-CB 3.24Å; E192-S196 PolarHBondContact O-N 3.31Å; E192-S196 PolarHBondContact O-OG 3.19Å; V194-S196 VanDerWaalsContact C-N 3.27Å; V194-S196 PolarHBondContact O-N 3.31Å
197S80.6Confident81.4Confident63 Ų6360.3 Ų60.344%0.44135%0.352SS..Hα-helixtrans-75.3-33.3179.466.60000112.8K171 K193 V194K171-S197 PolarHBondContact NZ-O 3.46Å; K193-S197 PolarHBondContact O-N 2.79Å; V194-S197 PolarHBondContact O-N 2.65Å; V194-S197 PolarHBondContact O-OG 3.37Å; V194-S197 VanDerWaalsContact O-OG 3.07Å
198L79.9Confident81.3Confident7 Ų759.1 Ų59.14%0.03735%0.345CS..Hα-helixtrans-81.5-16.4174.6-67178.7000113.5L167 L170 K171 I181 V194 A200L167-L198 HydrophobicContact CD2-CD1 3.79Å; L167-L198 HydrophobicContact CD2-CD2 4.39Å; L167-L198 HydrophobicContact CD2-CG 4.18Å; L170-L198 HydrophobicContact CB-CD1 4.07Å; L170-L198 HydrophobicContact CB-CD2 3.77Å; L170-L198 HydrophobicContact CD1-CD1 3.79Å; K171-L198 HydrophobicContact CB-CD2 4.33Å; K171-L198 HydrophobicContact CD-CD2 4.26Å; I181-L198 HydrophobicContact CD1-CB 4.22Å; I181-L198 HydrophobicContact CD1-CD1 4.27Å; I181-L198 HydrophobicContact CD1-CD2 4.37Å; I181-L198 HydrophobicContact CG2-CD1 4.47Å; V194-L198 HydrophobicContact CG1-CD1 4.17Å; V194-L198 PolarHBondContact O-N 3.17Å; V194-L198 VanDerWaalsContact O-N 3.16Å; L198-A200 HydrophobicContact CB-CB 4.03Å
199S79.9Confident80.9Confident107 Ų10759.1 Ų59.175%0.74834%0.342SS*.THydrogen-bonded Turntrans63.326.5-164.4-52.20000113.6A195A195-S199 CarbonylContact O-C 3.49Å; A195-S199 WeakPolarHBondContact O-CA 3.49Å; A195-S199 PolarHBondContact O-N 2.78Å
200A85.1Confident80.8Confident14 Ų1461 Ų6112%0.11635%0.345CS..  trans-79.8156.4-174.600000113.2I181 I183 A195 L198I181-A200 HydrophobicContact CB-CB 3.76Å; I181-A200 HydrophobicContact CG2-CB 3.64Å; I181-A200 CarbonylContact O-C 3.55Å; I181-A200 VanDerWaalsContact O-CA 3.29Å; I181-A200 WeakPolarHBondContact O-CA 3.34Å; I181-A200 WeakPolarHBondContact O-CB 3.4Å; I183-A200 HydrophobicContact CD1-CB 4.13Å; I183-A200 HydrophobicContact CG1-CB 4.04Å; A195-A200 PolarHBondContact O-N 2.88Å; L198-A200 HydrophobicContact CB-CB 4.03Å
201Q84.5Confident80.8Confident65 Ų6560 Ų6030%0.30433%0.334SS..EExtended strand (participates in β ladder)trans-90.6114.2173.6-178.9168.8-10.600111.4I181 N182 I183 L203I181-Q201 PolarHBondContact O-N 3.38Å; N182-Q201 CarbonylContact C-O 3.56Å; N182-Q201 VanDerWaalsContact CA-O 3.24Å; N182-Q201 WeakPolarHBondContact CA-O 3.4Å; I183-Q201 PolarHBondContact N-O 3.1Å; Q201-L203 HydrophobicContact CG-CD2 4.13Å; Q201-L203 HydrophobicContact CG-CG 4.19Å
202L84.9Confident80.9Confident30 Ų3060.5 Ų60.516%0.15734%0.337CS..EExtended strand (participates in β ladder)trans-76.1135.5171.6-164.261.6000111.3I183 T185 I188 W191 A195I183-L202 HydrophobicContact CB-CD1 3.89Å; I183-L202 HydrophobicContact CG2-CD1 3.88Å; I183-L202 CarbonylContact O-C 3.54Å; I183-L202 WeakPolarHBondContact O-CA 3.47Å; T185-L202 HydrophobicContact CG2-CD1 3.77Å; I188-L202 HydrophobicContact CB-CD2 4.17Å; I188-L202 HydrophobicContact CG1-CD2 4.22Å; I188-L202 HydrophobicContact CG1-CG 4.38Å; I188-L202 HydrophobicContact CG2-CD2 3.81Å; I188-L202 WeakPolarHBondContact O-CD2 3.36Å; W191-L202 HydrophobicContact CB-CD1 3.97Å; A195-L202 HydrophobicContact CB-CB 4.41Å
203L84.9Confident80.7Confident19 Ų1956.9 Ų56.910%0.09932%0.321CS..EExtended strand (participates in β ladder)trans-142.1149.3-174.1-68177.5000111.8N182 I183 V184 T185 Q201 K207 C211N182-L203 HydrophobicContact CB-CD1 4.11Å; I183-L203 PolarHBondContact O-N 2.97Å; V184-L203 WeakPolarHBondContact CA-O 3.38Å; V184-L203 HydrophobicContact CG2-CB 4.33Å; T185-L203 PolarHBondContact N-O 3.1Å; Q201-L203 HydrophobicContact CG-CD2 4.13Å; Q201-L203 HydrophobicContact CG-CG 4.19Å; L203-K207 HydrophobicContact CD2-CB 4.38Å; L203-C211 HydrophobicContact CD1-CB 3.41Å; L203-C211 VanDerWaalsContact CD1-CB 3.41Å
204E83.1Confident80.6Confident81 Ų8152.5 Ų52.538%0.37930%0.301SS..  trans-78.8152.5166.2-62.6145-150.600110.6I188 A206 K207I188-E204 HydrophobicContact CD1-CG 4.27Å; E204-A206 VanDerWaalsContact C-N 3.27Å; E204-A206 PolarHBondContact O-N 2.94Å; E204-K207 HydrophobicContact CB-CD 4.49Å; E204-K207 PolarHBondContact O-N 3.35Å; E204-K207 IonicContact OE1-NZ 3.48Å; E204-K207 PolarHBondContact OE1-NZ 3.2Å; E204-K207 WeakPolarHBondContact OE2-CE 3.27Å; E204-K207 IonicContact OE2-NZ 2.65Å; E204-K207 PolarHBondContact OE2-NZ 3.08Å
205P78.5Confident80.5Confident57 Ų5755.8 Ų55.837%0.3731%0.312SS..G310 helixtrans-55.1-36.3178.3-27.736.3000114.5V184 Q186 K207 L208V184-P205 HydrophobicContact CG1-CB 4.38Å; V184-P205 HydrophobicContact CG1-CG 4.35Å; Q186-P205 HydrophobicContact CG-CG 3.89Å; P205-K207 PolarHBondContact O-N 3.04Å; P205-L208 WeakPolarHBondContact O-CB 3.43Å; P205-L208 PolarHBondContact O-N 3.43Å
206A78.3Confident80.6Confident87 Ų8755.6 Ų55.672%0.71931%0.31SS*.G310 helixtrans-60.7-15.8176.500000114.2E204E204-A206 VanDerWaalsContact C-N 3.27Å; E204-A206 PolarHBondContact O-N 2.94Å
207K80.8Confident80.7Confident92 Ų9252.8 Ų52.840%0.429%0.288SS..G310 helixtrans-102.11.7178.2-69.5158.8-178.9154.10112.9L203 E204 P205 F209 N210 C211L203-K207 HydrophobicContact CD2-CB 4.38Å; E204-K207 HydrophobicContact CB-CD 4.49Å; E204-K207 PolarHBondContact O-N 3.35Å; E204-K207 IonicContact OE1-NZ 3.48Å; E204-K207 PolarHBondContact OE1-NZ 3.2Å; E204-K207 WeakPolarHBondContact OE2-CE 3.27Å; E204-K207 IonicContact OE2-NZ 2.65Å; E204-K207 PolarHBondContact OE2-NZ 3.08Å; P205-K207 PolarHBondContact O-N 3.04Å; K207-F209 PolarHBondContact O-N 3.18Å; K207-N210 PolarHBondContact O-N 3.21Å; K207-C211 PolarHBondContact O-N 3.11Å
208L77.7Confident81.2Confident12 Ų1249.8 Ų49.86%0.06327%0.267CS..G310 helixtrans-51.1-51.2179.717762.9000112P26 I30 L149 L151 V184 P205 N210 C211P26-L208 HydrophobicContact CB-CD2 3.97Å; I30-L208 HydrophobicContact CD1-CD1 3.98Å; I30-L208 HydrophobicContact CD1-CD2 4.12Å; I30-L208 HydrophobicContact CD1-CG 4.39Å; I30-L208 HydrophobicContact CG1-CD1 4.3Å; I30-L208 HydrophobicContact CG1-CD2 4.13Å; I30-L208 HydrophobicContact CG1-CG 4.29Å; L149-L208 HydrophobicContact CD1-CD1 4.26Å; L151-L208 HydrophobicContact CD2-CD1 3.87Å; V184-L208 HydrophobicContact CG1-CB 4.5Å; V184-L208 HydrophobicContact CG1-CD1 4.39Å; V184-L208 HydrophobicContact CG2-CD1 3.98Å; P205-L208 WeakPolarHBondContact O-CB 3.43Å; P205-L208 PolarHBondContact O-N 3.43Å; L208-N210 PolarHBondContact O-N 2.92Å; L208-C211 PolarHBondContact O-N 3.31Å; L208-C211 VanDerWaalsContact O-N 3.13Å; L208-C211 PolarHBondContact O-SG 2.98Å
209F69.2Low81.6Confident82 Ų8250.3 Ų50.336%0.3627%0.269SS..G310 helixtrans-62.8-18.8-179-57.1-66.6000114.1D29 R33 K207D29-F209 HydrophobicContact CB-CE1 4.01Å; D29-F209 HydrophobicContact CB-CZ 4.18Å; R33-F209 PolarHBondContact NH1-O 3.21Å; R33-F209 PolarHBondContact NH2-O 2.94Å; K207-F209 PolarHBondContact O-N 3.18Å
210N75.6Confident82Confident134 Ų13445.9 Ų45.972%0.71724%0.239SC*.G310 helixtrans-102.47.5-179.5-67.4-28.8000113.7K207 L208K207-N210 PolarHBondContact O-N 3.21Å; L208-N210 PolarHBondContact O-N 2.92Å
211C76.6Confident82.2Confident6 Ų645.2 Ų45.24%0.04123%0.234CC..SBendtrans-79.9-36.7-178.775.30000113.9L149 K180 L203 K207 L208L149-C211 HydrophobicContact CD2-CB 4.49Å; L149-C211 WeakPolarHBondContact CD2-SG 3.49Å; K180-C211 PolarHBondContact NZ-O 3.28Å; L203-C211 HydrophobicContact CD1-CB 3.41Å; L203-C211 VanDerWaalsContact CD1-CB 3.41Å; K207-C211 PolarHBondContact O-N 3.11Å; L208-C211 PolarHBondContact O-N 3.31Å; L208-C211 VanDerWaalsContact O-N 3.13Å; L208-C211 PolarHBondContact O-SG 2.98Å
212I82.3Confident82.5Confident15 Ų1542.1 Ų42.18%0.07722%0.219CC..SBendtrans-89.7125.5173.7-62.5174.2000108.4V5 L34 W63 D147 L149V5-I212 HydrophobicContact CB-CD1 4.48Å; V5-I212 HydrophobicContact CG1-CD1 3.64Å; V5-I212 HydrophobicContact CG2-CD1 3.93Å; L34-I212 HydrophobicContact CD2-CD1 4.07Å; W63-I212 HydrophobicContact CH2-CG2 4.05Å; W63-I212 HydrophobicContact CZ3-CG2 4.16Å; D147-I212 HydrophobicContact CB-CG1 4.37Å; L149-I212 HydrophobicContact CD1-CD1 3.99Å; L149-I212 HydrophobicContact CD1-CG1 4.43Å; L149-I212 HydrophobicContact CD2-CG1 4.49Å
213N80.3Confident82.8Confident47 Ų4740.7 Ų40.725%0.25121%0.212SC..  trans-108.2103.1175.2-175.80.3000109.9R3 R215 E216R3-N213 PolarHBondContact NH2-O 3.09Å; N213-R215 PolarHBondContact O-N 2.95Å; N213-R215 VanDerWaalsContact O-N 3.12Å; N213-R215 WeakPolarHBondContact OD1-CB 3.38Å; N213-R215 PolarHBondContact OD1-N 2.75Å; N213-E216 HydrophobicContact CB-CB 4.46Å; N213-E216 WeakPolarHBondContact O-CB 3.29Å; N213-E216 PolarHBondContact O-N 3.12Å; N213-E216 VanDerWaalsContact O-N 3.09Å
214Y79.4Confident83Confident83 Ų8342.3 Ų42.333%0.32522%0.22SC..THydrogen-bonded Turntrans-57.5-24.8178.267.6-96.1000113.2E216Y214-E216 VanDerWaalsContact C-N 3.31Å; Y214-E216 PolarHBondContact O-N 3.01Å
215R81.4Confident83.1Confident78 Ų7844.3 Ų44.329%0.29422%0.224SC..THydrogen-bonded Turntrans-74.6-17.5179-59.8-169-172.9169.10.2113.8N213 L217 R241 S242 A244N213-R215 PolarHBondContact O-N 2.95Å; N213-R215 VanDerWaalsContact O-N 3.12Å; N213-R215 WeakPolarHBondContact OD1-CB 3.38Å; N213-R215 PolarHBondContact OD1-N 2.75Å; R215-L217 WeakPolarHBondContact O-CG 3.26Å; R215-L217 PolarHBondContact O-N 2.89Å; R215-R241 HydrophobicContact CB-CB 4.43Å; R215-R241 CarbonylContact O-C 3.39Å; R215-R241 WeakPolarHBondContact O-CA 3.44Å; R215-S242 VanDerWaalsContact CB-OG 3.26Å; R215-S242 WeakPolarHBondContact CB-OG 3.29Å; R215-S242 WeakPolarHBondContact CG-OG 3.32Å; R215-S242 PolarHBondContact O-N 2.83Å; R215-A244 VanDerWaalsContact NH1-CB 3.32Å
216E86.4Confident83Confident3 Ų346 Ų461%0.01423%0.227CC..EExtended strand (participates in β ladder)trans-72.9127.9-177173.8177.6-144.700110.1R3 N213 Y214 R219 S239 L240 R241 S300R3-E216 VanDerWaalsContact NH2-CB 3.3Å; R3-E216 PolarHBondContact NH2-O 2.88Å; R3-E216 IonicContact NH2-OE2 2.71Å; N213-E216 HydrophobicContact CB-CB 4.46Å; N213-E216 WeakPolarHBondContact O-CB 3.29Å; N213-E216 PolarHBondContact O-N 3.12Å; N213-E216 VanDerWaalsContact O-N 3.09Å; Y214-E216 VanDerWaalsContact C-N 3.31Å; Y214-E216 PolarHBondContact O-N 3.01Å; E216-R219 HydrophobicContact CG-CG 4.21Å; E216-R219 VanDerWaalsContact OE1-CG 3.28Å; E216-R219 WeakPolarHBondContact OE1-CG 3.48Å; E216-R219 IonicContact OE1-CZ 3.81Å; E216-R219 IonicContact OE1-NE 2.86Å; E216-R219 PolarHBondContact OE1-NE 3.26Å; E216-R219 IonicContact OE1-NH2 2.84Å; E216-R219 IonicContact OE2-CZ 2.75Å; E216-R219 VanDerWaalsContact OE2-CZ 3.31Å; E216-R219 IonicContact OE2-NE 3.21Å; E216-R219 PolarHBondContact OE2-NE 3.5Å; E216-R219 VanDerWaalsContact OE2-NE 3.12Å; E216-R219 IonicContact OE2-NH2 3.8Å; E216-R219 PolarHBondContact OE2-NH2 2.93Å; E216-S239 WeakPolarHBondContact OE1-CB 3.44Å; E216-L240 CarbonylContact C-O 3.54Å; E216-L240 WeakPolarHBondContact CA-O 3.34Å; E216-R241 HydrophobicContact CB-CG 4.24Å; E216-S300 PolarHBondContact OE1-OG 3.38Å
217L86.2Confident82.4Confident27 Ų2751.4 Ų51.414%0.14124%0.235CC..EExtended strand (participates in β ladder)trans-111.9-21.4-170.2-55.6177.8000113.4M1 E48 F49 R215 L240 F295M1-L217 VanDerWaalsContact SD-O 3.34Å; E48-L217 HydrophobicContact CB-CD1 4.2Å; E48-L217 WeakPolarHBondContact OE2-CD1 3.35Å; F49-L217 HydrophobicContact CE2-CB 3.86Å; F49-L217 HydrophobicContact CE2-CD1 4.31Å; R215-L217 WeakPolarHBondContact O-CG 3.26Å; R215-L217 PolarHBondContact O-N 2.89Å; L217-L240 PolarHBondContact N-O 3.27Å; L217-F295 HydrophobicContact CD1-CD1 3.58Å; L217-F295 HydrophobicContact CD1-CE1 3.54Å
218W89.8Confident81.7Confident0 Ų055.3 Ų55.30%025%0.252CS..EExtended strand (participates in β ladder)trans-156.6146.3-179171.297000109.9M1 G220 F238 S239 L240 A271 L274 L326M1-W218 HydrophobicContact CE-CG 4.45Å; M1-W218 HydrophobicContact SD-CB 4.31Å; W218-G220 VanDerWaalsContact CH2-CA 3.48Å; W218-F238 HydrophobicContact CZ3-CB 4.4Å; W218-S239 WeakPolarHBondContact O-CA 3.44Å; W218-L240 HydrophobicContact CB-CB 4.25Å; W218-L240 HydrophobicContact CB-CD1 4.25Å; W218-L240 HydrophobicContact CD2-CD1 4.26Å; W218-L240 HydrophobicContact CE3-CB 4.39Å; W218-L240 HydrophobicContact CE3-CD1 4.03Å; W218-L240 HydrophobicContact CE3-CG 3.86Å; W218-L240 HydrophobicContact CG-CD1 4.39Å; W218-L240 PolarHBondContact O-N 3.14Å; W218-A271 PolarHBondContact NE1-O 3.17Å; W218-L274 HydrophobicContact CE3-CD1 4.45Å; W218-L274 HydrophobicContact CH2-CB 4.45Å; W218-L274 HydrophobicContact CH2-CD1 3.73Å; W218-L274 HydrophobicContact CH2-CG 3.62Å; W218-L274 HydrophobicContact CZ2-CD1 4.4Å; W218-L274 HydrophobicContact CZ2-CG 3.88Å; W218-L274 HydrophobicContact CZ3-CD1 3.76Å; W218-L274 HydrophobicContact CZ3-CG 4.15Å; W218-L326 HydrophobicContact CZ2-CD1 4.35Å
219R88.4Confident80.5Confident18 Ų1863.4 Ų63.47%0.06828%0.283CS..EExtended strand (participates in β ladder)trans-127.3144.9174.9-71.8178.7-178.1144.53.8110.1R3 L145 L146 D147 E216R3-R219 VanDerWaalsContact NH1-NH2 3.12Å; L145-R219 HydrophobicContact CD2-CB 3.87Å; L145-R219 HydrophobicContact CD2-CG 3.82Å; L146-R219 PolarHBondContact O-NH1 2.81Å; D147-R219 VanDerWaalsContact CG-NH1 3.31Å; D147-R219 IonicContact OD1-CZ 3.92Å; D147-R219 IonicContact OD1-NH1 3.03Å; D147-R219 PolarHBondContact OD1-NH1 3.29Å; D147-R219 IonicContact OD1-NH2 2.84Å; D147-R219 PolarHBondContact OD1-NH2 2.99Å; D147-R219 IonicContact OD2-CZ 2.74Å; D147-R219 VanDerWaalsContact OD2-CZ 3.23Å; D147-R219 IonicContact OD2-NH1 3.98Å; D147-R219 PolarHBondContact OD2-NH1 3.41Å; D147-R219 IonicContact OD2-NH2 2.72Å; D147-R219 PolarHBondContact OD2-NH2 3Å; E216-R219 HydrophobicContact CG-CG 4.21Å; E216-R219 VanDerWaalsContact OE1-CG 3.28Å; E216-R219 WeakPolarHBondContact OE1-CG 3.48Å; E216-R219 IonicContact OE1-CZ 3.81Å; E216-R219 IonicContact OE1-NE 2.86Å; E216-R219 PolarHBondContact OE1-NE 3.26Å; E216-R219 IonicContact OE1-NH2 2.84Å; E216-R219 IonicContact OE2-CZ 2.75Å; E216-R219 VanDerWaalsContact OE2-CZ 3.31Å; E216-R219 IonicContact OE2-NE 3.21Å; E216-R219 PolarHBondContact OE2-NE 3.5Å; E216-R219 VanDerWaalsContact OE2-NE 3.12Å; E216-R219 IonicContact OE2-NH2 3.8Å; E216-R219 PolarHBondContact OE2-NH2 2.93Å
220G88.4Confident80Confident13 Ų1364.1 Ų64.113%0.13430%0.304CS..EExtended strand (participates in β ladder)trans170.4-153.6175.600000114.9W218 G237 F238 P272W218-G220 VanDerWaalsContact CH2-CA 3.48Å; G220-G237 PolarHBondContact O-N 3.21Å; G220-F238 PolarHBondContact N-O 3.24Å; G220-F238 PolarHBondContact O-N 3.14Å; G220-P272 CarbonylContact C-O 3.44Å; G220-P272 WeakPolarHBondContact CA-O 3.24Å
221G89.6Confident79.8Confident0 Ų060 Ų600%029%0.286CS..EExtended strand (participates in β ladder)trans-117.6158.7175.600000113.7F235 P272 V273 L274G221-F235 CarbonylContact C-O 3.57Å; G221-F235 WeakPolarHBondContact CA-O 3.36Å; G221-P272 PolarHBondContact N-O 3.13Å; G221-V273 CarbonylContact O-C 3.48Å; G221-V273 VanDerWaalsContact O-CA 3.29Å; G221-V273 WeakPolarHBondContact O-CA 3.38Å; G221-L274 PolarHBondContact O-N 3.44Å
222L91.3Very high80.1Confident0 Ų064.7 Ų64.70%031%0.307CS..EExtended strand (participates in β ladder)trans-91.4138.7163.1-56.4-172.7000109.1F235 F238 L274 L297 L309 L313 F324L222-F235 PolarHBondContact N-O 3.19Å; L222-F235 PolarHBondContact O-N 2.91Å; L222-F238 HydrophobicContact CB-CD2 4.43Å; L222-F238 HydrophobicContact CB-CE2 4.27Å; L222-F238 HydrophobicContact CD1-CD1 3.87Å; L222-F238 HydrophobicContact CD1-CD2 4.33Å; L222-F238 HydrophobicContact CD1-CE1 3.52Å; L222-F238 HydrophobicContact CD1-CE2 4.02Å; L222-F238 HydrophobicContact CD1-CG 4.26Å; L222-F238 HydrophobicContact CD1-CZ 3.61Å; L222-F238 HydrophobicContact CD2-CG 4.34Å; L222-F238 HydrophobicContact CG-CD1 3.96Å; L222-F238 HydrophobicContact CG-CD2 3.74Å; L222-F238 HydrophobicContact CG-CE1 4Å; L222-F238 HydrophobicContact CG-CE2 3.78Å; L222-F238 HydrophobicContact CG-CG 3.82Å; L222-F238 HydrophobicContact CG-CZ 3.92Å; L222-L274 HydrophobicContact CD2-CB 3.71Å; L222-L274 HydrophobicContact CD2-CD1 3.67Å; L222-L274 HydrophobicContact CD2-CG 4.26Å; L222-L297 HydrophobicContact CD1-CD2 4.45Å; L222-L309 HydrophobicContact CB-CD2 4.04Å; L222-L309 HydrophobicContact CD1-CD2 3.82Å; L222-L309 HydrophobicContact CD1-CG 4.31Å; L222-L309 HydrophobicContact CG-CD2 4.49Å; L222-L313 HydrophobicContact CD1-CD1 3.69Å; L222-F324 HydrophobicContact CB-CE1 4.21Å; L222-F324 HydrophobicContact CD1-CE1 4.19Å; L222-F324 HydrophobicContact CD1-CZ 4.02Å; L222-F324 HydrophobicContact CD2-CD1 4.29Å; L222-F324 HydrophobicContact CD2-CE1 3.98Å; L222-F324 HydrophobicContact CD2-CZ 4.43Å; L222-F324 HydrophobicContact CG-CE1 4.34Å
223V90.4Very high80.3Confident1 Ų168.9 Ų68.91%0.00633%0.329CS..EExtended strand (participates in β ladder)trans-126.5132.2-179.6170.20000110.1R225 E232 L233 R234 V273 L274 D275 L276V223-R225 HydrophobicContact CG1-CG 3.86Å; V223-E232 HydrophobicContact CG1-CG 3.95Å; V223-E232 WeakPolarHBondContact CG1-OE1 3.29Å; V223-L233 WeakPolarHBondContact CA-O 3.46Å; V223-R234 HydrophobicContact CG2-CB 4.26Å; V223-R234 HydrophobicContact CG2-CG 4.05Å; V223-V273 HydrophobicContact CG2-CB 3.83Å; V223-V273 HydrophobicContact CG2-CG1 3.74Å; V223-V273 HydrophobicContact CG2-CG2 4.47Å; V223-L274 PolarHBondContact N-O 2.87Å; V223-D275 WeakPolarHBondContact CB-OD1 3.49Å; V223-D275 VanDerWaalsContact CG1-OD1 3.25Å; V223-D275 WeakPolarHBondContact CG1-OD1 3.26Å; V223-L276 PolarHBondContact O-N 3.45Å
224I89.1Confident80.5Confident52 Ų5273.4 Ų73.427%0.26734%0.342SS..EExtended strand (participates in β ladder)trans-121.2119.5176.4-56.5177.8000107.6L233 F235 L276 L309I224-L233 HydrophobicContact CB-CB 4.39Å; I224-L233 PolarHBondContact N-O 3Å; I224-L233 PolarHBondContact O-N 3.28Å; I224-F235 HydrophobicContact CD1-CE2 4.24Å; I224-L276 HydrophobicContact CD1-CD2 4.07Å; I224-L276 HydrophobicContact CG1-CB 4.07Å; I224-L276 HydrophobicContact CG1-CD2 3.89Å; I224-L276 HydrophobicContact CG2-CD2 4.18Å; I224-L309 HydrophobicContact CD1-CD1 4.42Å
225R84.8Confident80.9Confident123 Ų12371.3 Ų71.346%0.46434%0.335SS..EExtended strand (participates in β ladder)trans-118.8121.8-177.9-71.3173.4-177.3135.811.8111.1V223 K227 S231 E232 D275V223-R225 HydrophobicContact CG1-CG 3.86Å; R225-K227 PolarHBondContact O-N 2.99Å; R225-S231 WeakPolarHBondContact CA-O 3.41Å; R225-E232 HydrophobicContact CG-CB 4.28Å; R225-E232 HydrophobicContact CG-CG 3.96Å; R225-E232 IonicContact CZ-OE1 3.77Å; R225-E232 IonicContact NE-OE1 3.04Å; R225-E232 PolarHBondContact NE-OE1 3.11Å; R225-E232 IonicContact NH2-OE1 3.83Å; R225-E232 PolarHBondContact NH2-OE1 3.31Å; R225-D275 IonicContact CZ-OD1 3.98Å; R225-D275 IonicContact CZ-OD2 3.59Å; R225-D275 IonicContact NE-OD1 3.17Å; R225-D275 IonicContact NH1-OD1 2.68Å; R225-D275 PolarHBondContact NH1-OD1 3.03Å; R225-D275 IonicContact NH1-OD2 3.88Å; R225-D275 PolarHBondContact NH1-OD2 2.91Å; R225-D275 IonicContact NH2-OD1 2.64Å
226E77.1Confident81.1Confident92 Ų9271.1 Ų71.143%0.4334%0.34SS..EExtended strand (participates in β ladder)trans-88.2106.5176.1-158.4-174.9165.200111K228 Y229 A230 S231E226-K228 PolarHBondContact O-N 3.03Å; E226-Y229 PolarHBondContact O-N 2.87Å; E226-Y229 WeakPolarHBondContact OE1-CD2 3.44Å; E226-Y229 WeakPolarHBondContact OE1-CE2 3.46Å; E226-A230 PolarHBondContact O-N 3.46Å; E226-S231 VanDerWaalsContact CB-OG 3.28Å; E226-S231 WeakPolarHBondContact CB-OG 3.46Å; E226-S231 PolarHBondContact N-O 3.39Å; E226-S231 PolarHBondContact OE2-OG 2.83Å
227K66.4Low81Confident202 Ų20272.1 Ų72.188%0.87835%0.351SS*.THydrogen-bonded Turntrans-56.5-18.3-178-65.6176.9-177.4168.30114.6R225R225-K227 PolarHBondContact O-N 2.99Å
228K64.8Low81.2Confident173 Ų17370.9 Ų70.975%0.75234%0.344SS*.THydrogen-bonded Turntrans-84.8-32-178.8-69.5-175176.4-178.60114.4E226E226-K228 PolarHBondContact O-N 3.03Å
229Y52.8Low81.2Confident182 Ų18270.9 Ų70.971%0.71434%0.344SS*.THydrogen-bonded Turntrans-124.9-0.4-173.2-57.9-62.7000114.2E226 S231E226-Y229 PolarHBondContact O-N 2.87Å; E226-Y229 WeakPolarHBondContact OE1-CD2 3.44Å; E226-Y229 WeakPolarHBondContact OE1-CE2 3.46Å; Y229-S231 PolarHBondContact O-N 2.82Å; Y229-S231 VanDerWaalsContact O-N 3.15Å
230A58.9Low81.3Confident97 Ų9770 Ų7080%0.80234%0.341SS*.THydrogen-bonded Turntrans56.323.1-174.600000114.1E226E226-A230 PolarHBondContact O-N 3.46Å
231S70.7Confident81.3Confident49 Ų4971.9 Ų71.934%0.34334%0.344SS..EExtended strand (participates in β ladder)trans-72.3133.6169.140.40000110.2R225 E226 Y229R225-S231 WeakPolarHBondContact CA-O 3.41Å; E226-S231 VanDerWaalsContact CB-OG 3.28Å; E226-S231 WeakPolarHBondContact CB-OG 3.46Å; E226-S231 PolarHBondContact N-O 3.39Å; E226-S231 PolarHBondContact OE2-OG 2.83Å; Y229-S231 PolarHBondContact O-N 2.82Å; Y229-S231 VanDerWaalsContact O-N 3.15Å
232E83.4Confident81Confident103 Ų10372.2 Ų72.248%0.48135%0.347SS..EExtended strand (participates in β ladder)trans-123.2124.6177.9-177.4171.6-134.400109.6V223 R225V223-E232 HydrophobicContact CG1-CG 3.95Å; V223-E232 WeakPolarHBondContact CG1-OE1 3.29Å; R225-E232 HydrophobicContact CG-CB 4.28Å; R225-E232 HydrophobicContact CG-CG 3.96Å; R225-E232 IonicContact CZ-OE1 3.77Å; R225-E232 IonicContact NE-OE1 3.04Å; R225-E232 PolarHBondContact NE-OE1 3.11Å; R225-E232 IonicContact NH2-OE1 3.83Å; R225-E232 PolarHBondContact NH2-OE1 3.31Å
233L85.8Confident80.2Confident104 Ų10474.9 Ų74.955%0.54536%0.364SS..EExtended strand (participates in β ladder)trans-109.8117.2171.8-60.8176.6000108.5V223 I224 F235V223-L233 WeakPolarHBondContact CA-O 3.46Å; I224-L233 HydrophobicContact CB-CB 4.39Å; I224-L233 PolarHBondContact N-O 3Å; I224-L233 PolarHBondContact O-N 3.28Å; L233-F235 HydrophobicContact CB-CE2 3.7Å; L233-F235 HydrophobicContact CB-CZ 4.29Å
234R86Confident78.9Confident141 Ų14177.6 Ų77.653%0.53239%0.386SS..EExtended strand (participates in β ladder)trans-111.9134.3-180179175.7170152.34110.7V223 D236V223-R234 HydrophobicContact CG2-CB 4.26Å; V223-R234 HydrophobicContact CG2-CG 4.05Å; R234-D236 IonicContact CZ-OD1 3.97Å; R234-D236 IonicContact CZ-OD2 3.7Å; R234-D236 VanDerWaalsContact NE-CG 3.32Å; R234-D236 IonicContact NE-OD1 2.71Å; R234-D236 PolarHBondContact NE-OD1 3.22Å; R234-D236 IonicContact NE-OD2 2.74Å; R234-D236 PolarHBondContact NE-OD2 3.23Å; R234-D236 IonicContact NH2-OD1 2.64Å; R234-D236 PolarHBondContact NH2-OD1 2.98Å; R234-D236 IonicContact NH2-OD2 3.51Å
235F88.1Confident77.2Confident40 Ų4083.1 Ų83.118%0.17540%0.404CS..EExtended strand (participates in β ladder)trans-130.298.2-178.9-57.6-101.8000109.3G221 L222 I224 L233 F238 R305 L309G221-F235 CarbonylContact C-O 3.57Å; G221-F235 WeakPolarHBondContact CA-O 3.36Å; L222-F235 PolarHBondContact N-O 3.19Å; L222-F235 PolarHBondContact O-N 2.91Å; I224-F235 HydrophobicContact CD1-CE2 4.24Å; L233-F235 HydrophobicContact CB-CE2 3.7Å; L233-F235 HydrophobicContact CB-CZ 4.29Å; F235-F238 HydrophobicContact CB-CE2 3.85Å; F235-F238 VanDerWaalsContact O-CD2 3.25Å; F235-F238 WeakPolarHBondContact O-CD2 3.28Å; F235-F238 VanDerWaalsContact O-CE2 3.27Å; F235-F238 WeakPolarHBondContact O-CE2 3.4Å; F235-R305 HydrophobicContact CD1-CB 4.13Å; F235-R305 HydrophobicContact CE1-CB 4.36Å; F235-L309 HydrophobicContact CB-CD2 3.86Å; F235-L309 HydrophobicContact CD1-CB 4.22Å; F235-L309 HydrophobicContact CD1-CD2 3.94Å; F235-L309 HydrophobicContact CD2-CD2 3.52Å; F235-L309 HydrophobicContact CE1-CB 4.38Å; F235-L309 HydrophobicContact CE1-CD2 4.32Å; F235-L309 HydrophobicContact CE2-CD2 3.93Å; F235-L309 HydrophobicContact CG-CD2 3.52Å; F235-L309 HydrophobicContact CZ-CD2 4.32Å
236D85.3Confident75Confident73 Ų7387.6 Ų87.639%0.3942%0.421SS..EExtended strand (participates in β ladder)trans-83.2154.9-179.6-61.7-78000113.3R234R234-D236 IonicContact CZ-OD1 3.97Å; R234-D236 IonicContact CZ-OD2 3.7Å; R234-D236 VanDerWaalsContact NE-CG 3.32Å; R234-D236 IonicContact NE-OD1 2.71Å; R234-D236 PolarHBondContact NE-OD1 3.22Å; R234-D236 IonicContact NE-OD2 2.74Å; R234-D236 PolarHBondContact NE-OD2 3.23Å; R234-D236 IonicContact NH2-OD1 2.64Å; R234-D236 PolarHBondContact NH2-OD1 2.98Å; R234-D236 IonicContact NH2-OD2 3.51Å
237G84.8Confident73Confident24 Ų2490.8 Ų90.825%0.24744%0.439CS..EExtended strand (participates in β ladder)trans10824172.600000115.2G220 S300 G301G220-G237 PolarHBondContact O-N 3.21Å; G237-S300 PolarHBondContact O-N 3.27Å; G237-G301 PolarHBondContact O-N 2.88Å
238F89.6Confident71.5Confident1 Ų185.9 Ų85.90%0.00443%0.43CS..EExtended strand (participates in β ladder)trans-97.2154.3177.7-69.8-96.9000112W218 G220 L222 F235 L297 L299 A306 L309 L310W218-F238 HydrophobicContact CZ3-CB 4.4Å; G220-F238 PolarHBondContact N-O 3.24Å; G220-F238 PolarHBondContact O-N 3.14Å; L222-F238 HydrophobicContact CB-CD2 4.43Å; L222-F238 HydrophobicContact CB-CE2 4.27Å; L222-F238 HydrophobicContact CD1-CD1 3.87Å; L222-F238 HydrophobicContact CD1-CD2 4.33Å; L222-F238 HydrophobicContact CD1-CE1 3.52Å; L222-F238 HydrophobicContact CD1-CE2 4.02Å; L222-F238 HydrophobicContact CD1-CG 4.26Å; L222-F238 HydrophobicContact CD1-CZ 3.61Å; L222-F238 HydrophobicContact CD2-CG 4.34Å; L222-F238 HydrophobicContact CG-CD1 3.96Å; L222-F238 HydrophobicContact CG-CD2 3.74Å; L222-F238 HydrophobicContact CG-CE1 4Å; L222-F238 HydrophobicContact CG-CE2 3.78Å; L222-F238 HydrophobicContact CG-CG 3.82Å; L222-F238 HydrophobicContact CG-CZ 3.92Å; F235-F238 HydrophobicContact CB-CE2 3.85Å; F235-F238 VanDerWaalsContact O-CD2 3.25Å; F235-F238 WeakPolarHBondContact O-CD2 3.28Å; F235-F238 VanDerWaalsContact O-CE2 3.27Å; F235-F238 WeakPolarHBondContact O-CE2 3.4Å; F238-L297 HydrophobicContact CB-CD1 4.21Å; F238-L297 HydrophobicContact CD1-CD1 4.04Å; F238-L297 HydrophobicContact CD1-CD2 4.48Å; F238-L297 HydrophobicContact CD1-CG 4.27Å; F238-L299 HydrophobicContact CD1-CD2 4.2Å; F238-L299 HydrophobicContact CE1-CD2 3.97Å; F238-L299 HydrophobicContact CE2-CD2 4.47Å; F238-L299 HydrophobicContact CZ-CD2 4.11Å; F238-A306 HydrophobicContact CD2-CB 4.4Å; F238-A306 HydrophobicContact CE2-CB 3.57Å; F238-A306 HydrophobicContact CZ-CB 3.84Å; F238-A306 WeakPolarHBondContact CZ-O 3.47Å; F238-L309 HydrophobicContact CZ-CB 4.39Å; F238-L309 HydrophobicContact CZ-CD2 4.17Å; F238-L309 HydrophobicContact CZ-CG 4.41Å; F238-L310 HydrophobicContact CE1-CB 4.1Å; F238-L310 HydrophobicContact CE1-CD1 4.31Å
239S90Very high70.1Confident0 Ų084.3 Ų84.30%043%0.43CS..EExtended strand (participates in β ladder)trans-137.8136.1178.557.90000110.4E216 W218 R241 G298E216-S239 WeakPolarHBondContact OE1-CB 3.44Å; W218-S239 WeakPolarHBondContact O-CA 3.44Å; S239-R241 PolarHBondContact OG-NE 3.26Å; S239-R241 VanDerWaalsContact OG-NE 3.07Å; S239-R241 PolarHBondContact OG-NH2 3.06Å; S239-G298 PolarHBondContact N-O 2.87Å; S239-G298 PolarHBondContact O-N 2.75Å; S239-G298 PolarHBondContact OG-O 3.28Å
240L89.9Confident69.1Low1 Ų179.6 Ų79.61%0.00542%0.424CS..EExtended strand (participates in β ladder)trans-94.2138.1163.8-67170.6000108.3F49 E216 L217 W218 L274 E296 L297 L373 V388F49-L240 HydrophobicContact CZ-CD1 4.34Å; E216-L240 CarbonylContact C-O 3.54Å; E216-L240 WeakPolarHBondContact CA-O 3.34Å; L217-L240 PolarHBondContact N-O 3.27Å; W218-L240 HydrophobicContact CB-CB 4.25Å; W218-L240 HydrophobicContact CB-CD1 4.25Å; W218-L240 HydrophobicContact CD2-CD1 4.26Å; W218-L240 HydrophobicContact CE3-CB 4.39Å; W218-L240 HydrophobicContact CE3-CD1 4.03Å; W218-L240 HydrophobicContact CE3-CG 3.86Å; W218-L240 HydrophobicContact CG-CD1 4.39Å; W218-L240 PolarHBondContact O-N 3.14Å; L240-L274 HydrophobicContact CD1-CD1 4.44Å; L240-E296 CarbonylContact C-O 3.49Å; L240-E296 WeakPolarHBondContact CA-O 3.24Å; L240-L297 HydrophobicContact CD2-CB 4.21Å; L240-L297 HydrophobicContact CD2-CD1 3.88Å; L240-L373 HydrophobicContact CD1-CD1 3.73Å; L240-V388 HydrophobicContact CD2-CG2 3.97Å
241R88.9Confident67.8Low51 Ų5180.9 Ų80.919%0.19242%0.422CS..EExtended strand (participates in β ladder)trans-131.2150.8-176.3-54.4173.2-174.3174.32.9111.4R215 E216 S239 F295 E296 L299R215-R241 HydrophobicContact CB-CB 4.43Å; R215-R241 CarbonylContact O-C 3.39Å; R215-R241 WeakPolarHBondContact O-CA 3.44Å; E216-R241 HydrophobicContact CB-CG 4.24Å; S239-R241 PolarHBondContact OG-NE 3.26Å; S239-R241 VanDerWaalsContact OG-NE 3.07Å; S239-R241 PolarHBondContact OG-NH2 3.06Å; R241-F295 CarbonylContact O-C 3.57Å; R241-F295 VanDerWaalsContact O-CA 3.29Å; R241-F295 WeakPolarHBondContact O-CA 3.29Å; R241-F295 WeakPolarHBondContact O-CB 3.38Å; R241-E296 HydrophobicContact CB-CB 4.29Å; R241-E296 PolarHBondContact N-O 3.15Å; R241-E296 PolarHBondContact O-N 2.98Å; R241-L299 PolarHBondContact NH2-O 3.41Å
242S82.9Confident66Low8 Ų885.6 Ų85.66%0.05644%0.442CS..  trans-66.9140.1169.877.20000110.4E48 R215E48-S242 WeakPolarHBondContact OE2-CB 3.49Å; R215-S242 VanDerWaalsContact CB-OG 3.26Å; R215-S242 WeakPolarHBondContact CB-OG 3.29Å; R215-S242 WeakPolarHBondContact CG-OG 3.32Å; R215-S242 PolarHBondContact O-N 2.83Å
243P75Confident63.7Low56 Ų5687.4 Ų87.436%0.36445%0.448SS..  trans-68.8145.4-17528.1-33.8000110.5R245 H294 E296P243-R245 PolarHBondContact O-N 2.78Å; P243-H294 VanDerWaalsContact CD-O 3.27Å; P243-H294 WeakPolarHBondContact CD-O 3.26Å; P243-H294 WeakPolarHBondContact CG-O 3.31Å; P243-E296 WeakPolarHBondContact CA-OE1 3.26Å
244A62.8Low61Low57 Ų5791.4 Ų91.447%0.47146%0.464SS..  trans-59.2103.5172.200000111.4R215 R246 E296R215-A244 VanDerWaalsContact NH1-CB 3.32Å; A244-R246 PolarHBondContact O-N 3.24Å; A244-E296 PolarHBondContact N-OE1 3.27Å
245R54Low58.3Low168 Ų16888.2 Ų88.263%0.63447%0.469SS*.  trans-55.8114.9177.5-77.4-167-179.4-162.12.1110.7P243P243-R245 PolarHBondContact O-N 2.78Å
246R37.3Very low55.5Low218 Ų21892.4 Ų92.482%0.82350%0.499SS*.  trans-68.1138.4143.6-60.3-173.8-172.7-169.53.2106.6A244 S248A244-R246 PolarHBondContact O-N 3.24Å; R246-S248 VanDerWaalsContact C-N 3.25Å; R246-S248 PolarHBondContact O-N 3.07Å
247I36.4Very low53Low159 Ų15994.5 Ų94.582%0.81552%0.515SS*.SBendtrans-76.5-10.1-162.9-69.8171.2000113.3
248S34.6Very low50.5Low99 Ų9998.2 Ų98.269%0.69253%0.533SS*.SBendtrans-84.6-31.2-156.3-53.10000118R246R246-S248 VanDerWaalsContact C-N 3.25Å; R246-S248 PolarHBondContact O-N 3.07Å
249D33.9Very low47.6Very low139 Ų139105.8 Ų105.874%0.74357%0.574SS**SBendtrans-107-9.3-153.8-58.5-36.2000116.7
250S32.6Very low44.9Very low83 Ų83112.9 Ų112.958%0.5861%0.606SS**SBendtrans-96.917.3-164.488.80000116.9
251V30.8Very low42.5Very low125 Ų125122.9 Ų122.976%0.75865%0.65SS**SBendtrans-98.7-32.3-175179.20000113.4
252L34.4Very low40.4Very low148 Ų148126.3 Ų126.378%0.77568%0.676SS**SBendtrans-89.3-5-159.8-72.1173.4000116.7
253F34.3Very low38.7Very low140 Ų140130.9 Ų130.961%0.61470%0.7SS**  trans-14183-174.7-70-91.3000112.6A255F253-A255 PolarHBondContact O-N 3.17Å
254Q29.1Very low37.9Very low188 Ų188132.3 Ų132.388%0.87971%0.711SS**  trans-60.1123145.1-73.2173.4-50.200107.4
255A30.1Very low38.1Very low75 Ų75134 Ų13462%0.6271%0.71SS**  trans-62.1141.3158.800000107.5F253 T257F253-A255 PolarHBondContact O-N 3.17Å; A255-T257 PolarHBondContact O-N 3.34Å
256P28.1Very low39.2Very low127 Ų127126.2 Ų126.283%0.82568%0.681SS**  trans-65.298.4179.226.1-33.6000109.2T258P256-T258 PolarHBondContact O-N 3.22Å
257T32.9Very low41.1Very low118 Ų118117.4 Ų117.472%0.72465%0.648SS**  trans-66.399.7167.646.30000106.9A255 D259A255-T257 PolarHBondContact O-N 3.34Å; T257-D259 PolarHBondContact O-N 3.08Å
258T32.7Very low43.3Very low101 Ų101110.5 Ų110.562%0.6261%0.612SS**  trans-50.5125.6167.6490000108.5P256 H260P256-T258 PolarHBondContact O-N 3.22Å; T258-H260 PolarHBondContact O-N 3.03Å
259D28.5Very low45.7Very low160 Ų160106.2 Ų106.286%0.85658%0.581SS**  trans-69.956.7-179.5-84.1-52.2000112.7T257 K261T257-D259 PolarHBondContact O-N 3.08Å; D259-K261 PolarHBondContact O-N 3.06Å
260H34.6Very low48.2Very low149 Ų149100 Ų10069%0.6955%0.548SS*.  trans-89.892.1170.4-64.1-20.1000106.8T258 V262T258-H260 PolarHBondContact O-N 3.03Å; H260-V262 PolarHBondContact O-N 2.82Å
261K39.1Very low50.9Low212 Ų21297.3 Ų97.392%0.92253%0.53SS*.  trans-66.328.6-169-155.4172.2-177.3173.80115D259D259-K261 PolarHBondContact O-N 3.06Å
262V43.4Very low53.5Low123 Ų12394.6 Ų94.675%0.74552%0.515SS*.  trans-144.375.2-173.1-168.20000110H260H260-V262 PolarHBondContact O-N 2.82Å
263N48.1Very low56.1Low104 Ų10488.6 Ų88.656%0.55648%0.484SS*.  trans-123.198.4156-90.2-39.3000106.8
264S58.6Low58.8Low85 Ų8582 Ų8259%0.59446%0.455SS*.  trans-63.1140.3168.9-56.20000109.2V266S264-V266 PolarHBondContact O-N 3.31Å
265E67.4Low61.8Low94 Ų9474.6 Ų74.644%0.43942%0.422SS..  trans-59.9132.1172.2-64.4-165.5145.500110.1A59A59-E265 HydrophobicContact CB-CB 4.35Å
266V75.5Confident64.7Low4 Ų473.3 Ų73.32%0.02441%0.405CS..BIsolated β-bridgetrans-120.8142.4177.7-70.50000111.7S55 S57 S264 I330 P332S55-V266 WeakPolarHBondContact O-CG1 3.36Å; S57-V266 WeakPolarHBondContact O-CG2 3.46Å; S57-V266 PolarHBondContact O-N 3.48Å; S57-V266 VanDerWaalsContact O-N 3.14Å; S264-V266 PolarHBondContact O-N 3.31Å; V266-I330 HydrophobicContact CB-CG2 3.79Å; V266-I330 HydrophobicContact CG1-CG2 4.42Å; V266-I330 HydrophobicContact CG2-CG2 3.74Å; V266-P332 HydrophobicContact CG1-CB 4.45Å
267F77.8Confident67.6Low33 Ų3370.3 Ų70.315%0.14538%0.384CS..EExtended strand (participates in β ladder)trans-89.1122.1-178-57.4-70.7000110.3K143 Y269 I330 T331 T334K143-F267 HydrophobicContact CD-CD1 4.33Å; F267-Y269 HydrophobicContact CB-CD2 4.41Å; F267-Y269 HydrophobicContact CB-CE2 3.73Å; F267-I330 WeakPolarHBondContact O-CA 3.29Å; F267-T331 HydrophobicContact CB-CG2 4.46Å; F267-T331 PolarHBondContact N-O 2.87Å; F267-T331 PolarHBondContact O-N 3.38Å; F267-T334 HydrophobicContact CE1-CG2 4.1Å; F267-T334 VanDerWaalsContact CE2-CA 3.5Å; F267-T334 HydrophobicContact CE2-CG2 3.92Å; F267-T334 VanDerWaalsContact CE2-OG1 3.32Å; F267-T334 WeakPolarHBondContact CE2-OG1 3.33Å; F267-T334 HydrophobicContact CZ-CG2 3.68Å
268H82.1Confident70.2Confident13 Ų1370.2 Ų70.26%0.0638%0.375CS..EExtended strand (participates in β ladder)trans-96.7118.4177-74.7-157.8000110.2Y270 Y371H268-Y270 HydrophobicContact CB-CD2 4.28Å; H268-Y270 HydrophobicContact CB-CE2 3.49Å; H268-Y270 VanDerWaalsContact CB-CE2 3.49Å; H268-Y270 AromaticContact ND1-CZ 3.82Å; H268-Y270 PolarHBondContact ND1-OH 3.27Å; H268-Y270 VanDerWaalsContact ND1-OH 3.11Å; H268-Y371 PolarHBondContact CE1-OH 3.1Å; H268-Y371 VanDerWaalsContact CE1-OH 3.27Å; H268-Y371 PolarHBondContact ND1-OH 3.14Å
269Y85.2Confident73Confident10 Ų1069.2 Ų69.24%0.03937%0.368CS..EExtended strand (participates in β ladder)trans-105.8100.2174.7-67.7-93.6000109.5P140 K143 F267 C328 T329 T331 T334 V364P140-Y269 HydrophobicContact CB-CD1 4.03Å; P140-Y269 HydrophobicContact CB-CE1 3.69Å; P140-Y269 HydrophobicContact CG-CE1 3.74Å; K143-Y269 HydrophobicContact CB-CD1 3.65Å; K143-Y269 HydrophobicContact CB-CE1 3.45Å; K143-Y269 VanDerWaalsContact CB-CE1 3.45Å; K143-Y269 HydrophobicContact CB-CG 4.44Å; K143-Y269 HydrophobicContact CD-CE1 4.05Å; K143-Y269 HydrophobicContact CG-CE1 4.35Å; F267-Y269 HydrophobicContact CB-CD2 4.41Å; F267-Y269 HydrophobicContact CB-CE2 3.73Å; Y269-C328 CarbonylContact O-C 3.6Å; Y269-C328 WeakPolarHBondContact O-CA 3.4Å; Y269-T329 PolarHBondContact N-O 2.91Å; Y269-T329 PolarHBondContact O-N 2.86Å; Y269-T331 HydrophobicContact CD2-CG2 4.03Å; Y269-T331 HydrophobicContact CE2-CG2 3.6Å; Y269-T334 PolarHBondContact OH-O 3.49Å; Y269-V364 HydrophobicContact CD1-CG2 4.15Å; Y269-V364 HydrophobicContact CD2-CG1 3.76Å; Y269-V364 HydrophobicContact CE1-CG2 4.45Å; Y269-V364 HydrophobicContact CE2-CG1 4Å; Y269-V364 HydrophobicContact CG-CG1 4.13Å; Y269-V364 HydrophobicContact CG-CG2 4.23Å
270Y87.5Confident75.9Confident9 Ų962.2 Ų62.24%0.03533%0.332CS..EExtended strand (participates in β ladder)trans-85.1141.7-177.8-52.1-99.1000111.1M1 F49 G142 H268 L326 C328 Y371M1-Y270 HydrophobicContact CE-CD2 3.98Å; M1-Y270 HydrophobicContact CE-CG 4.28Å; M1-Y270 HydrophobicContact CG-CD2 4.09Å; M1-Y270 HydrophobicContact CG-CE2 4.38Å; F49-Y270 HydrophobicContact CD1-CE1 4.33Å; F49-Y270 HydrophobicContact CD2-CE1 4.45Å; F49-Y270 HydrophobicContact CG-CE1 4.26Å; G142-Y270 WeakPolarHBondContact CA-O 3.37Å; G142-Y270 WeakPolarHBondContact O-CD2 3.44Å; G142-Y270 PolarHBondContact O-N 3.5Å; H268-Y270 HydrophobicContact CB-CD2 4.28Å; H268-Y270 HydrophobicContact CB-CE2 3.49Å; H268-Y270 VanDerWaalsContact CB-CE2 3.49Å; H268-Y270 AromaticContact ND1-CZ 3.82Å; H268-Y270 PolarHBondContact ND1-OH 3.27Å; H268-Y270 VanDerWaalsContact ND1-OH 3.11Å; Y270-L326 HydrophobicContact CD1-CD2 3.74Å; Y270-L326 HydrophobicContact CD1-CG 4.27Å; Y270-L326 HydrophobicContact CG-CD2 4.46Å; Y270-C328 HydrophobicContact CD1-CB 4.39Å; Y270-Y371 HydrophobicContact CD1-CD2 4.39Å; Y270-Y371 HydrophobicContact CD1-CE2 4.14Å; Y270-Y371 HydrophobicContact CE1-CD2 4.11Å; Y270-Y371 AromaticContact CE1-CE2 3.5Å; Y270-Y371 HydrophobicContact CE1-CE2 3.5Å; Y270-Y371 VanDerWaalsContact CE1-CE2 3.5Å
271A88Confident78.4Confident25 Ų2555.8 Ų55.821%0.20731%0.306CS..  trans-63.7146.5176.400000111.9W218 V273 L326 S327W218-A271 PolarHBondContact NE1-O 3.17Å; A271-V273 PolarHBondContact O-N 2.9Å; A271-V273 VanDerWaalsContact O-N 3.12Å; A271-L326 WeakPolarHBondContact O-CD1 3.39Å; A271-S327 WeakPolarHBondContact CB-O 3.43Å; A271-S327 PolarHBondContact N-O 3.37Å
272P85.7Confident80.5Confident69 Ų6948 Ų4845%0.44827%0.273SS..SBendtrans-76.49.2177.133.2-37.5000113.5G220 G221G220-P272 CarbonylContact C-O 3.44Å; G220-P272 WeakPolarHBondContact CA-O 3.24Å; G221-P272 PolarHBondContact N-O 3.13Å
273V89.5Confident82.4Confident21 Ų2147.9 Ų47.913%0.12728%0.278CS..EExtended strand (participates in β ladder)trans-138.1145179-66.60000111.9G221 V223 A271G221-V273 CarbonylContact O-C 3.48Å; G221-V273 VanDerWaalsContact O-CA 3.29Å; G221-V273 WeakPolarHBondContact O-CA 3.38Å; V223-V273 HydrophobicContact CG2-CB 3.83Å; V223-V273 HydrophobicContact CG2-CG1 3.74Å; V223-V273 HydrophobicContact CG2-CG2 4.47Å; A271-V273 PolarHBondContact O-N 2.9Å; A271-V273 VanDerWaalsContact O-N 3.12Å
274L91.3Very high84.1Confident2 Ų249.4 Ų49.41%0.0128%0.282CS..EExtended strand (participates in β ladder)trans-101.9111.9167.6-70.9171.2000108.8W218 G221 L222 V223 L240 F324 L326 L373W218-L274 HydrophobicContact CE3-CD1 4.45Å; W218-L274 HydrophobicContact CH2-CB 4.45Å; W218-L274 HydrophobicContact CH2-CD1 3.73Å; W218-L274 HydrophobicContact CH2-CG 3.62Å; W218-L274 HydrophobicContact CZ2-CD1 4.4Å; W218-L274 HydrophobicContact CZ2-CG 3.88Å; W218-L274 HydrophobicContact CZ3-CD1 3.76Å; W218-L274 HydrophobicContact CZ3-CG 4.15Å; G221-L274 PolarHBondContact O-N 3.44Å; L222-L274 HydrophobicContact CD2-CB 3.71Å; L222-L274 HydrophobicContact CD2-CD1 3.67Å; L222-L274 HydrophobicContact CD2-CG 4.26Å; V223-L274 PolarHBondContact N-O 2.87Å; L240-L274 HydrophobicContact CD1-CD1 4.44Å; L274-F324 HydrophobicContact CB-CB 4.3Å; L274-F324 HydrophobicContact CB-CD1 3.93Å; L274-F324 HydrophobicContact CB-CG 4.44Å; L274-L326 HydrophobicContact CD2-CB 3.55Å; L274-L326 HydrophobicContact CD2-CD1 3.84Å; L274-L326 HydrophobicContact CD2-CD2 4.46Å; L274-L326 HydrophobicContact CD2-CG 4.13Å; L274-L373 HydrophobicContact CD2-CD1 3.82Å
275D91.4Very high85.1Confident33 Ų3346.8 Ų46.818%0.17626%0.261CS..EExtended strand (participates in β ladder)trans-80.6125.5175.6-78-40.8000110.1V223 R225 V277 F324 S325V223-D275 WeakPolarHBondContact CB-OD1 3.49Å; V223-D275 VanDerWaalsContact CG1-OD1 3.25Å; V223-D275 WeakPolarHBondContact CG1-OD1 3.26Å; R225-D275 IonicContact CZ-OD1 3.98Å; R225-D275 IonicContact CZ-OD2 3.59Å; R225-D275 IonicContact NE-OD1 3.17Å; R225-D275 IonicContact NH1-OD1 2.68Å; R225-D275 PolarHBondContact NH1-OD1 3.03Å; R225-D275 IonicContact NH1-OD2 3.88Å; R225-D275 PolarHBondContact NH1-OD2 2.91Å; R225-D275 IonicContact NH2-OD1 2.64Å; D275-V277 PolarHBondContact O-N 2.86Å; D275-F324 CarbonylContact O-C 3.59Å; D275-F324 VanDerWaalsContact O-CA 3.3Å; D275-F324 WeakPolarHBondContact O-CA 3.38Å; D275-S325 PolarHBondContact N-O 3.1Å; D275-S325 PolarHBondContact O-N 3.34Å; D275-S325 PolarHBondContact O-OG 2.93Å
276L91.4Very high85.7Confident48 Ų4845.1 Ų45.125%0.25126%0.258SS..EExtended strand (participates in β ladder)trans-69.6120.6171.218065.8000109.5V223 I224 A322 F324V223-L276 PolarHBondContact O-N 3.45Å; I224-L276 HydrophobicContact CD1-CD2 4.07Å; I224-L276 HydrophobicContact CG1-CB 4.07Å; I224-L276 HydrophobicContact CG1-CD2 3.89Å; I224-L276 HydrophobicContact CG2-CD2 4.18Å; L276-A322 HydrophobicContact CD1-CB 4.07Å; L276-F324 HydrophobicContact CB-CD1 4.05Å; L276-F324 HydrophobicContact CB-CE1 3.76Å; L276-F324 HydrophobicContact CB-CZ 4.35Å; L276-F324 HydrophobicContact CD1-CD1 4.33Å; L276-F324 HydrophobicContact CD1-CD2 4.24Å; L276-F324 HydrophobicContact CD1-CE1 4.01Å; L276-F324 HydrophobicContact CD1-CE2 3.92Å; L276-F324 HydrophobicContact CD1-CG 4.45Å; L276-F324 HydrophobicContact CD1-CZ 3.8Å; L276-F324 HydrophobicContact CG-CE1 4.44Å
277V88.3Confident85.6Confident64 Ų6449.2 Ų49.239%0.38828%0.284SS..EExtended strand (participates in β ladder)trans-87.3-55.2179-175.80000110.4D275 L323 S325 F372D275-V277 PolarHBondContact O-N 2.86Å; V277-L323 HydrophobicContact CB-CD2 4.48Å; V277-L323 HydrophobicContact CB-CG 4.3Å; V277-L323 WeakPolarHBondContact CB-O 3.41Å; V277-L323 PolarHBondContact N-O 2.73Å; V277-S325 WeakPolarHBondContact CG2-OG 3.36Å; V277-F372 HydrophobicContact CG2-CE1 4.47Å
278Q88.6Confident85.4Confident116 Ų11653.1 Ų53.154%0.54230%0.301SS..EExtended strand (participates in β ladder)trans-167.6156.7-175-175.3167.9-20.800110.7V280 L323Q278-V280 HydrophobicContact CB-CG1 4.07Å; Q278-V280 HydrophobicContact CG-CG1 3.8Å; Q278-L323 PolarHBondContact N-O 3.16Å; Q278-L323 WeakPolarHBondContact O-CB 3.32Å; Q278-L323 PolarHBondContact O-N 3.33Å
279V90.1Very high85.2Confident79 Ų7954.2 Ų54.248%0.47931%0.307SS..EExtended strand (participates in β ladder)trans-96.1127162.6179.50000108.1V320 A322V279-V320 HydrophobicContact CG1-CG1 3.54Å; V279-A322 HydrophobicContact CG2-CB 4.36Å
280V90.1Very high84.8Confident14 Ų1455 Ų559%0.08531%0.311CS..EExtended strand (participates in β ladder)trans-128.8148.5-164.8-65.40000112.4Q278 L285 V320 G321 L323 L374Q278-V280 HydrophobicContact CB-CG1 4.07Å; Q278-V280 HydrophobicContact CG-CG1 3.8Å; V280-L285 HydrophobicContact CG2-CD1 3.98Å; V280-L285 HydrophobicContact CG2-CG 4.41Å; V280-V320 WeakPolarHBondContact O-CA 3.12Å; V280-G321 PolarHBondContact N-O 2.97Å; V280-G321 PolarHBondContact O-N 2.92Å; V280-L323 HydrophobicContact CG2-CB 4.36Å; V280-L374 HydrophobicContact CG2-CD1 4.01Å
281G87.5Confident84.2Confident14 Ų1454.7 Ų54.714%0.14431%0.31CS..EExtended strand (participates in β ladder)trans-80.1135.2169.800000111.3S283 E284 K319G281-S283 PolarHBondContact O-N 3.03Å; G281-E284 PolarHBondContact N-OE2 3.12Å; G281-E284 WeakPolarHBondContact O-CB 3.39Å; G281-E284 PolarHBondContact O-N 2.9Å; G281-K319 WeakPolarHBondContact CA-O 3.37Å
282L82.9Confident83.6Confident47 Ų4758 Ų5825%0.24633%0.325CS..G310 helixtrans-62.8-26.2178.1-63.4-162.1000112.9E284 L285 M290 G318 K319 L374L282-E284 PolarHBondContact O-N 3.48Å; L282-L285 HydrophobicContact CD2-CD1 4.22Å; L282-L285 PolarHBondContact O-N 3.41Å; L282-M290 HydrophobicContact CD2-CE 4.43Å; L282-G318 WeakPolarHBondContact CD1-O 3.49Å; L282-K319 PolarHBondContact N-O 3.32Å; L282-L374 HydrophobicContact CD2-CD1 4.42Å; L282-L374 HydrophobicContact CD2-CD2 3.74Å
283S82.7Confident83.3Confident121 Ų12156.6 Ų56.685%0.84632%0.315SS*.G310 helixtrans-70.7-13.7173.748.70000114.1G281G281-S283 PolarHBondContact O-N 3.03Å
284E83.6Confident83.1Confident137 Ų13757.9 Ų57.964%0.6432%0.32SS*.G310 helixtrans-94.2-15.4177.8-52.3174.313700111.6G281 L282 P286G281-E284 PolarHBondContact N-OE2 3.12Å; G281-E284 WeakPolarHBondContact O-CB 3.39Å; G281-E284 PolarHBondContact O-N 2.9Å; L282-E284 PolarHBondContact O-N 3.48Å; E284-P286 WeakPolarHBondContact O-CD 3.22Å
285L81.3Confident83Confident30 Ų3058 Ų5816%0.15732%0.32CS..SBendtrans-90.7119.1178.1-72.2173.6000110.7V280 L282 T287 M290 L374 I391V280-L285 HydrophobicContact CG2-CD1 3.98Å; V280-L285 HydrophobicContact CG2-CG 4.41Å; L282-L285 HydrophobicContact CD2-CD1 4.22Å; L282-L285 PolarHBondContact O-N 3.41Å; L285-T287 PolarHBondContact O-N 2.94Å; L285-M290 HydrophobicContact CD1-SD 4.28Å; L285-L374 HydrophobicContact CD1-CD1 4.23Å; L285-L374 HydrophobicContact CD1-CD2 4Å; L285-I391 HydrophobicContact CD1-CD1 4.12Å; L285-I391 HydrophobicContact CD2-CD1 4.22Å
286P79.3Confident83Confident58 Ų5858.9 Ų58.938%0.37732%0.323SS..  trans-59.9130.7172-22.331.8000111.8E284 F288 L289E284-P286 WeakPolarHBondContact O-CD 3.22Å; P286-F288 HydrophobicContact CB-CD1 3.7Å; P286-F288 HydrophobicContact CB-CE1 3.32Å; P286-F288 HydrophobicContact CB-CG 4.47Å; P286-F288 HydrophobicContact CB-CZ 3.82Å; P286-F288 HydrophobicContact CG-CE1 4.2Å; P286-F288 HydrophobicContact CG-CZ 4.36Å; P286-F288 PolarHBondContact O-N 3.44Å; P286-L289 HydrophobicContact CB-CD1 4.44Å; P286-L289 HydrophobicContact CB-CG 4.3Å; P286-L289 HydrophobicContact CG-CD1 4.23Å; P286-L289 WeakPolarHBondContact O-CB 3.36Å; P286-L289 PolarHBondContact O-N 2.94Å
287T74.3Confident82.9Confident90 Ų9056.6 Ų56.655%0.55231%0.311SS*.G310 helixtrans-60-30.5-174.750.20000113.5L285 L289 M290L285-T287 PolarHBondContact O-N 2.94Å; T287-L289 PolarHBondContact O-N 3.4Å; T287-M290 WeakPolarHBondContact O-CB 3.48Å; T287-M290 PolarHBondContact O-N 3.32Å
288F71.6Confident82.9Confident115 Ų11553.5 Ų53.550%0.50429%0.293SS..G310 helixtrans-66.4-12.4176.270.4-100.1000114.5P286 L397P286-F288 HydrophobicContact CB-CD1 3.7Å; P286-F288 HydrophobicContact CB-CE1 3.32Å; P286-F288 HydrophobicContact CB-CG 4.47Å; P286-F288 HydrophobicContact CB-CZ 3.82Å; P286-F288 HydrophobicContact CG-CE1 4.2Å; P286-F288 HydrophobicContact CG-CZ 4.36Å; P286-F288 PolarHBondContact O-N 3.44Å; F288-L397 HydrophobicContact CD2-CD2 4.32Å
289L78.2Confident82.8Confident37 Ų3750.2 Ų50.219%0.19428%0.278CS..G310 helixtrans-85.5-16171.9-57.4-178000112.4P286 T287 S291 I391 H392 L397P286-L289 HydrophobicContact CB-CD1 4.44Å; P286-L289 HydrophobicContact CB-CG 4.3Å; P286-L289 HydrophobicContact CG-CD1 4.23Å; P286-L289 WeakPolarHBondContact O-CB 3.36Å; P286-L289 PolarHBondContact O-N 2.94Å; T287-L289 PolarHBondContact O-N 3.4Å; L289-S291 PolarHBondContact O-N 3.3Å; L289-I391 HydrophobicContact CB-CG2 3.84Å; L289-I391 CarbonylContact O-C 3.53Å; L289-I391 VanDerWaalsContact O-CA 3.31Å; L289-I391 WeakPolarHBondContact O-CA 3.33Å; L289-I391 WeakPolarHBondContact O-CG2 3.49Å; L289-H392 PolarHBondContact O-N 2.96Å; L289-L397 HydrophobicContact CD2-CD1 3.55Å; L289-L397 HydrophobicContact CD2-CD2 3.97Å; L289-L397 HydrophobicContact CD2-CG 4.36Å
290M77.1Confident82.1Confident25 Ų2547.8 Ų47.812%0.12327%0.265CS..EExtended strand (participates in β ladder)trans-86.9107.6-171.7-63.4-78-95.500110.1L282 L285 T287 L374 I391L282-M290 HydrophobicContact CD2-CE 4.43Å; L285-M290 HydrophobicContact CD1-SD 4.28Å; T287-M290 WeakPolarHBondContact O-CB 3.48Å; T287-M290 PolarHBondContact O-N 3.32Å; M290-L374 HydrophobicContact CE-CD2 3.66Å; M290-L374 HydrophobicContact SD-CD2 3.86Å; M290-I391 HydrophobicContact SD-CG1 4.4Å
291S76.1Confident81.2Confident3 Ų348.7 Ų48.72%0.02128%0.277CS..EExtended strand (participates in β ladder)trans-78.7162177.7820000112.6L289 T293 R389 L390 H392L289-S291 PolarHBondContact O-N 3.3Å; S291-T293 VanDerWaalsContact C-N 3.25Å; S291-T293 PolarHBondContact OG-N 3.02Å; S291-R389 WeakPolarHBondContact O-CD 3.44Å; S291-R389 VanDerWaalsContact O-CG 3.31Å; S291-R389 WeakPolarHBondContact O-CG 3.16Å; S291-L390 VanDerWaalsContact CB-O 3.3Å; S291-L390 WeakPolarHBondContact CB-O 3.32Å; S291-L390 PolarHBondContact N-O 2.93Å; S291-L390 VanDerWaalsContact N-O 3.08Å; S291-L390 WeakPolarHBondContact OG-CB 3.29Å; S291-L390 PolarHBondContact OG-O 2.8Å; S291-H392 WeakPolarHBondContact CA-NE2 3.16Å; S291-H392 WeakPolarHBondContact CB-NE2 3.44Å
292N74.3Confident80.4Confident94 Ų9455.8 Ų55.850%0.50330%0.304SS..EExtended strand (participates in β ladder)trans-80-4.4171.4-69.4-0.1000113.1H294 S408N292-H294 PolarHBondContact O-N 3.44Å; N292-S408 WeakPolarHBondContact ND2-CB 3.49Å; N292-S408 PolarHBondContact ND2-OG 2.65Å; N292-S408 PolarHBondContact OD1-OG 3.14Å
293T79.5Confident80.3Confident41 Ų4155.8 Ų55.825%0.25231%0.308SS..EExtended strand (participates in β ladder)trans-74.3125.9176.6-48.80000109.6S291 F295 L390S291-T293 VanDerWaalsContact C-N 3.25Å; S291-T293 PolarHBondContact OG-N 3.02Å; T293-F295 HydrophobicContact CG2-CE1 4.01Å; T293-F295 HydrophobicContact CG2-CE2 3.82Å; T293-F295 HydrophobicContact CG2-CZ 3.44Å; T293-F295 VanDerWaalsContact CG2-CZ 3.44Å; T293-L390 HydrophobicContact CG2-CD2 4.48Å; T293-L390 PolarHBondContact O-N 3.02Å; T293-L390 VanDerWaalsContact O-N 3.11Å
294H85.4Confident80.3Confident48 Ų4855.4 Ų55.422%0.22230%0.3CS..EExtended strand (participates in β ladder)trans-125.9146.5-179.3-64.5-14.2000110.7P243 N292 R387 V388P243-H294 VanDerWaalsContact CD-O 3.27Å; P243-H294 WeakPolarHBondContact CD-O 3.26Å; P243-H294 WeakPolarHBondContact CG-O 3.31Å; N292-H294 PolarHBondContact O-N 3.44Å; H294-R387 PolarHBondContact CD2-NH2 2.85Å; H294-R387 VanDerWaalsContact CD2-NH2 3.34Å; H294-R387 PolarHBondContact NE2-NH2 2.92Å; H294-V388 CarbonylContact C-O 3.57Å; H294-V388 VanDerWaalsContact CA-O 3.25Å; H294-V388 WeakPolarHBondContact CA-O 3.25Å
295F89Confident80.5Confident3 Ų358 Ų581%0.01330%0.304CS..EExtended strand (participates in β ladder)trans-136.2164.4174-50.5-71.3000109.7F49 L217 R241 T293 L373 V388 L390F49-F295 HydrophobicContact CD1-CE2 4.37Å; F49-F295 AromaticContact CD1-CZ 3.98Å; F49-F295 HydrophobicContact CD1-CZ 3.98Å; F49-F295 AromaticContact CE1-CE2 4Å; F49-F295 HydrophobicContact CE1-CE2 4Å; F49-F295 AromaticContact CE1-CZ 3.94Å; F49-F295 HydrophobicContact CE1-CZ 3.94Å; F49-F295 HydrophobicContact CG-CZ 4.41Å; F49-F295 HydrophobicContact CZ-CZ 4.33Å; L217-F295 HydrophobicContact CD1-CD1 3.58Å; L217-F295 HydrophobicContact CD1-CE1 3.54Å; R241-F295 CarbonylContact O-C 3.57Å; R241-F295 VanDerWaalsContact O-CA 3.29Å; R241-F295 WeakPolarHBondContact O-CA 3.29Å; R241-F295 WeakPolarHBondContact O-CB 3.38Å; T293-F295 HydrophobicContact CG2-CE1 4.01Å; T293-F295 HydrophobicContact CG2-CE2 3.82Å; T293-F295 HydrophobicContact CG2-CZ 3.44Å; T293-F295 VanDerWaalsContact CG2-CZ 3.44Å; F295-L373 HydrophobicContact CD2-CD2 4.34Å; F295-L373 HydrophobicContact CE2-CD2 4.36Å; F295-V388 HydrophobicContact CB-CB 4.17Å; F295-V388 PolarHBondContact N-O 2.81Å; F295-V388 WeakPolarHBondContact O-CB 3.27Å; F295-V388 PolarHBondContact O-N 2.85Å; F295-L390 HydrophobicContact CE2-CB 4.38Å
296E90.8Very high80.8Confident52 Ų5256.6 Ų56.624%0.24330%0.296CS..EExtended strand (participates in β ladder)trans-107.2121.5172.1-62.3171.9-155.100109.4L240 R241 P243 A244L240-E296 CarbonylContact C-O 3.49Å; L240-E296 WeakPolarHBondContact CA-O 3.24Å; R241-E296 HydrophobicContact CB-CB 4.29Å; R241-E296 PolarHBondContact N-O 3.15Å; R241-E296 PolarHBondContact O-N 2.98Å; P243-E296 WeakPolarHBondContact CA-OE1 3.26Å; A244-E296 PolarHBondContact N-OE1 3.27Å
297L90.8Very high81.2Confident0 Ų059.4 Ų59.40%030%0.302CS..EExtended strand (participates in β ladder)trans-88.2120.1169.7179.270.7000108.8L222 F238 L240 L310 L313 V375 T385 C386 V388L222-L297 HydrophobicContact CD1-CD2 4.45Å; F238-L297 HydrophobicContact CB-CD1 4.21Å; F238-L297 HydrophobicContact CD1-CD1 4.04Å; F238-L297 HydrophobicContact CD1-CD2 4.48Å; F238-L297 HydrophobicContact CD1-CG 4.27Å; L240-L297 HydrophobicContact CD2-CB 4.21Å; L240-L297 HydrophobicContact CD2-CD1 3.88Å; L297-L310 HydrophobicContact CD2-CD1 4.12Å; L297-L310 HydrophobicContact CG-CD1 4.2Å; L297-L313 HydrophobicContact CD2-CD1 4.25Å; L297-V375 HydrophobicContact CD2-CG1 3.81Å; L297-V375 HydrophobicContact CD2-CG2 4.19Å; L297-T385 WeakPolarHBondContact O-CA 3.43Å; L297-C386 HydrophobicContact CB-CB 4.27Å; L297-C386 PolarHBondContact N-O 3.4Å; L297-C386 PolarHBondContact O-N 2.94Å; L297-V388 HydrophobicContact CB-CG2 3.58Å
298G88.1Confident81.9Confident0 Ų060.2 Ų60.20%030%0.303CS..EExtended strand (participates in β ladder)trans-143.6166.7178.500000112.5S239S239-G298 PolarHBondContact N-O 2.87Å; S239-G298 PolarHBondContact O-N 2.75Å; S239-G298 PolarHBondContact OG-O 3.28Å
299L86.4Confident82.8Confident47 Ų4756 Ų5625%0.24629%0.285CS..EExtended strand (participates in β ladder)trans-79.6136.4177.6-63.3160.4000111.1F238 R241 A306 K307 L310F238-L299 HydrophobicContact CD1-CD2 4.2Å; F238-L299 HydrophobicContact CE1-CD2 3.97Å; F238-L299 HydrophobicContact CE2-CD2 4.47Å; F238-L299 HydrophobicContact CZ-CD2 4.11Å; R241-L299 PolarHBondContact NH2-O 3.41Å; L299-A306 HydrophobicContact CD2-CB 3.6Å; L299-K307 HydrophobicContact CD1-CB 3.85Å; L299-K307 HydrophobicContact CD1-CG 3.97Å; L299-L310 HydrophobicContact CD1-CD2 4.11Å; L299-L310 HydrophobicContact CG-CD2 3.79Å
300S74.7Confident83.3Confident28 Ų2854.4 Ų54.420%0.19628%0.277CS..SBendtrans-103.9-16.2167.5-127.10000111.8E216 G237E216-S300 PolarHBondContact OE1-OG 3.38Å; G237-S300 PolarHBondContact O-N 3.27Å
301G71.3Confident83.9Confident32 Ų3256.2 Ų56.233%0.3329%0.288SS..SBendtrans-121.4159179.400000114.8G237 S303G237-G301 PolarHBondContact O-N 2.88Å; G301-S303 PolarHBondContact O-N 2.76Å; G301-S303 VanDerWaalsContact O-N 3.12Å
302K71.1Confident84.5Confident164 Ų16462.2 Ų62.271%0.71332%0.315SS*.  trans-79.422.3-177-59.2-177.1-178.6178.90114.9V304K302-V304 PolarHBondContact O-N 2.67Å
303S80.1Confident85.2Confident47 Ų4758.3 Ų58.333%0.32929%0.294SS..  trans-74.2115.1-173.6172.70000112.1G301 R305 A306 K307G301-S303 PolarHBondContact O-N 2.76Å; G301-S303 VanDerWaalsContact O-N 3.12Å; S303-R305 VanDerWaalsContact C-N 3.25Å; S303-R305 PolarHBondContact O-N 2.99Å; S303-A306 PolarHBondContact O-N 3.22Å; S303-A306 VanDerWaalsContact O-N 3.13Å; S303-A306 PolarHBondContact OG-N 2.86Å; S303-K307 PolarHBondContact O-N 3.11Å
304V84.4Confident85.6Confident112 Ų11258 Ų5868%0.67929%0.294SS*.Hα-helixtrans-58-37.4178-177.50000111.8K302 K307 L308K302-V304 PolarHBondContact O-N 2.67Å; V304-K307 PolarHBondContact O-N 3.02Å; V304-L308 HydrophobicContact CG1-CD1 4.36Å; V304-L308 WeakPolarHBondContact O-CG 3.38Å; V304-L308 PolarHBondContact O-N 3.37Å
305R87Confident85.6Confident193 Ų19359.9 Ų59.973%0.72831%0.309SS*.Hα-helixtrans-67.4-41.4176.8-65.2-177.9-176.7166.81.1112.1F235 S303 K307 L309F235-R305 HydrophobicContact CD1-CB 4.13Å; F235-R305 HydrophobicContact CE1-CB 4.36Å; S303-R305 VanDerWaalsContact C-N 3.25Å; S303-R305 PolarHBondContact O-N 2.99Å; R305-K307 VanDerWaalsContact C-N 3.33Å; R305-L309 PolarHBondContact O-N 3.4Å; R305-L309 VanDerWaalsContact O-N 3.11Å
306A86.8Confident85.5Confident0 Ų061.5 Ų61.50%032%0.317CS..Hα-helixtrans-67-37.5175.800000111F238 L299 S303 L309 L310F238-A306 HydrophobicContact CD2-CB 4.4Å; F238-A306 HydrophobicContact CE2-CB 3.57Å; F238-A306 HydrophobicContact CZ-CB 3.84Å; F238-A306 WeakPolarHBondContact CZ-O 3.47Å; L299-A306 HydrophobicContact CD2-CB 3.6Å; S303-A306 PolarHBondContact O-N 3.22Å; S303-A306 VanDerWaalsContact O-N 3.13Å; S303-A306 PolarHBondContact OG-N 2.86Å; A306-L309 PolarHBondContact O-N 2.95Å; A306-L310 PolarHBondContact O-N 3.09Å
307K88.6Confident85Confident116 Ų11664.2 Ų64.250%0.50433%0.325SS..Hα-helixtrans-60.2-52.8172.9-168.1-172.2170.1-177.20111.9L299 S303 V304 R305 L309 L310 D311L299-K307 HydrophobicContact CD1-CB 3.85Å; L299-K307 HydrophobicContact CD1-CG 3.97Å; S303-K307 PolarHBondContact O-N 3.11Å; V304-K307 PolarHBondContact O-N 3.02Å; R305-K307 VanDerWaalsContact C-N 3.33Å; K307-L309 PolarHBondContact O-N 2.9Å; K307-L310 PolarHBondContact O-N 2.95Å; K307-D311 WeakPolarHBondContact CE-OD2 3.4Å; K307-D311 WeakPolarHBondContact O-CB 3.27Å; K307-D311 PolarHBondContact O-N 3.17Å
308L89.3Confident84.4Confident107 Ų10766.5 Ų66.556%0.5635%0.348SS*.Hα-helixtrans-56.3-38177.4-70.6170.1000112.2V304 Q312V304-L308 HydrophobicContact CG1-CD1 4.36Å; V304-L308 WeakPolarHBondContact O-CG 3.38Å; V304-L308 PolarHBondContact O-N 3.37Å; L308-Q312 VanDerWaalsContact O-CG 3.27Å; L308-Q312 WeakPolarHBondContact O-CG 3.4Å; L308-Q312 PolarHBondContact O-N 3Å
309L90.1Very high84.1Confident26 Ų2674.8 Ų74.814%0.13639%0.385CS..Hα-helixtrans-67.9-40.7174.6-179.959.9000112.8L222 I224 F235 F238 R305 A306 K307 Q312 L313L222-L309 HydrophobicContact CB-CD2 4.04Å; L222-L309 HydrophobicContact CD1-CD2 3.82Å; L222-L309 HydrophobicContact CD1-CG 4.31Å; L222-L309 HydrophobicContact CG-CD2 4.49Å; I224-L309 HydrophobicContact CD1-CD1 4.42Å; F235-L309 HydrophobicContact CB-CD2 3.86Å; F235-L309 HydrophobicContact CD1-CB 4.22Å; F235-L309 HydrophobicContact CD1-CD2 3.94Å; F235-L309 HydrophobicContact CD2-CD2 3.52Å; F235-L309 HydrophobicContact CE1-CB 4.38Å; F235-L309 HydrophobicContact CE1-CD2 4.32Å; F235-L309 HydrophobicContact CE2-CD2 3.93Å; F235-L309 HydrophobicContact CG-CD2 3.52Å; F235-L309 HydrophobicContact CZ-CD2 4.32Å; F238-L309 HydrophobicContact CZ-CB 4.39Å; F238-L309 HydrophobicContact CZ-CD2 4.17Å; F238-L309 HydrophobicContact CZ-CG 4.41Å; R305-L309 PolarHBondContact O-N 3.4Å; R305-L309 VanDerWaalsContact O-N 3.11Å; A306-L309 PolarHBondContact O-N 2.95Å; K307-L309 PolarHBondContact O-N 2.9Å; L309-Q312 PolarHBondContact O-N 3.03Å; L309-L313 HydrophobicContact CG-CD1 4.35Å; L309-L313 WeakPolarHBondContact O-CG 3.42Å; L309-L313 PolarHBondContact O-N 3.25Å
310L89.1Confident84.2Confident4 Ų475.3 Ų75.32%0.02139%0.389CS..Hα-helixtrans-67.7-39.5175.5-170.163.2000111.7F238 L297 L299 A306 K307 Q312 L313 S314 G384 C386F238-L310 HydrophobicContact CE1-CB 4.1Å; F238-L310 HydrophobicContact CE1-CD1 4.31Å; L297-L310 HydrophobicContact CD2-CD1 4.12Å; L297-L310 HydrophobicContact CG-CD1 4.2Å; L299-L310 HydrophobicContact CD1-CD2 4.11Å; L299-L310 HydrophobicContact CG-CD2 3.79Å; A306-L310 PolarHBondContact O-N 3.09Å; K307-L310 PolarHBondContact O-N 2.95Å; L310-Q312 VanDerWaalsContact C-N 3.31Å; L310-Q312 PolarHBondContact O-N 3.19Å; L310-L313 PolarHBondContact O-N 3.14Å; L310-S314 WeakPolarHBondContact O-CB 3.17Å; L310-S314 PolarHBondContact O-N 3.04Å; L310-G384 WeakPolarHBondContact CD2-O 3.47Å; L310-C386 HydrophobicContact CD1-CB 4.11Å; L310-C386 VanDerWaalsContact CD1-SG 3.55Å
311D88.9Confident84.9Confident64 Ų6474 Ų7434%0.34238%0.38SS..Hα-helixtrans-58.7-44.7174.2-64.4-23.9000109.7K307 S314K307-D311 WeakPolarHBondContact CE-OD2 3.4Å; K307-D311 WeakPolarHBondContact O-CB 3.27Å; K307-D311 PolarHBondContact O-N 3.17Å; D311-S314 WeakPolarHBondContact O-CB 3.37Å; D311-S314 PolarHBondContact O-N 2.91Å; D311-S314 PolarHBondContact O-OG 2.95Å
312Q88.9Confident85.9Confident129 Ų12972.5 Ų72.560%0.60337%0.365SS*.Hα-helixtrans-61.8-47172.9-71.3-64.1-7200112.8L308 L309 L310 S314 T315L308-Q312 VanDerWaalsContact O-CG 3.27Å; L308-Q312 WeakPolarHBondContact O-CG 3.4Å; L308-Q312 PolarHBondContact O-N 3Å; L309-Q312 PolarHBondContact O-N 3.03Å; L310-Q312 VanDerWaalsContact C-N 3.31Å; L310-Q312 PolarHBondContact O-N 3.19Å; Q312-S314 PolarHBondContact O-N 2.76Å; Q312-T315 WeakPolarHBondContact O-CB 3.27Å; Q312-T315 PolarHBondContact O-N 3.09Å; Q312-T315 VanDerWaalsContact O-N 3.09Å; Q312-T315 PolarHBondContact O-OG1 3.28Å
313L89Confident87Confident12 Ų1265.7 Ų65.76%0.06334%0.336CS..Hα-helixtrans-60.2-31.7176-71.1169.5000112L222 L297 L309 L310 T315 L316 A322 F324 V375L222-L313 HydrophobicContact CD1-CD1 3.69Å; L297-L313 HydrophobicContact CD2-CD1 4.25Å; L309-L313 HydrophobicContact CG-CD1 4.35Å; L309-L313 WeakPolarHBondContact O-CG 3.42Å; L309-L313 PolarHBondContact O-N 3.25Å; L310-L313 PolarHBondContact O-N 3.14Å; L313-T315 PolarHBondContact O-N 2.78Å; L313-L316 HydrophobicContact CD2-CD1 3.98Å; L313-L316 WeakPolarHBondContact O-CB 3.46Å; L313-L316 PolarHBondContact O-N 2.93Å; L313-L316 VanDerWaalsContact O-N 3.11Å; L313-A322 HydrophobicContact CD2-CB 3.71Å; L313-F324 HydrophobicContact CD1-CE2 4.43Å; L313-F324 HydrophobicContact CD1-CZ 4.26Å; L313-F324 HydrophobicContact CD2-CE2 4.13Å; L313-F324 HydrophobicContact CD2-CZ 4.3Å; L313-V375 HydrophobicContact CD1-CG1 4.48Å
314S87.1Confident87.6Confident35 Ų3563.6 Ų63.625%0.24532%0.321CS..THydrogen-bonded Turntrans-69.6-14.2177.9850000114.6L310 D311 Q312 R317 C386L310-S314 WeakPolarHBondContact O-CB 3.17Å; L310-S314 PolarHBondContact O-N 3.04Å; D311-S314 WeakPolarHBondContact O-CB 3.37Å; D311-S314 PolarHBondContact O-N 2.91Å; D311-S314 PolarHBondContact O-OG 2.95Å; Q312-S314 PolarHBondContact O-N 2.76Å; S314-R317 PolarHBondContact O-NE 3.45Å; S314-C386 PolarHBondContact N-SG 2.87Å
315T87.1Confident87.9Confident87 Ų8759.1 Ų59.153%0.53430%0.295SS..THydrogen-bonded Turntrans-78.9-18.6172.172.40000112.9Q312 L313 R317Q312-T315 WeakPolarHBondContact O-CB 3.27Å; Q312-T315 PolarHBondContact O-N 3.09Å; Q312-T315 VanDerWaalsContact O-N 3.09Å; Q312-T315 PolarHBondContact O-OG1 3.28Å; L313-T315 PolarHBondContact O-N 2.78Å; T315-R317 VanDerWaalsContact C-N 3.26Å; T315-R317 PolarHBondContact O-N 2.76Å
316L85.2Confident88.1Confident36 Ų3649.9 Ų49.919%0.18826%0.26CS..  trans-76.874.8-179.3-56.4-179.4000110.6L313 V320 A322 Q376 G377L313-L316 HydrophobicContact CD2-CD1 3.98Å; L313-L316 WeakPolarHBondContact O-CB 3.46Å; L313-L316 PolarHBondContact O-N 2.93Å; L313-L316 VanDerWaalsContact O-N 3.11Å; L316-V320 HydrophobicContact CD2-CG1 4.35Å; L316-A322 HydrophobicContact CD1-CB 3.74Å; L316-Q376 CarbonylContact O-C 3.55Å; L316-Q376 WeakPolarHBondContact O-CA 3.45Å; L316-Q376 WeakPolarHBondContact O-CB 3.49Å; L316-G377 PolarHBondContact O-N 3.18Å
317R80.7Confident88.2Confident110 Ų11052.2 Ų52.242%0.41528%0.276SS..  trans-103.8152.1-176.5-64.4-179.4176.6-125.5-6.8111.8S314 T315 K319 A378 D379S314-R317 PolarHBondContact O-NE 3.45Å; T315-R317 VanDerWaalsContact C-N 3.26Å; T315-R317 PolarHBondContact O-N 2.76Å; R317-K319 PolarHBondContact O-N 3.5Å; R317-K319 VanDerWaalsContact O-N 3.16Å; R317-A378 PolarHBondContact NH1-O 2.71Å; R317-A378 PolarHBondContact NH2-O 2.68Å; R317-D379 PolarHBondContact NH1-O 3.28Å
318G78.4Confident88.1Confident47 Ų4746.8 Ų46.849%0.48525%0.253SS..THydrogen-bonded Turntrans66.2-109.4175.500000113.6L282 V320 Q376L282-G318 WeakPolarHBondContact CD1-O 3.49Å; G318-V320 VanDerWaalsContact C-N 3.35Å; G318-V320 PolarHBondContact O-N 2.91Å; G318-Q376 PolarHBondContact O-NE2 3.33Å
319K81.3Confident87.9Confident175 Ų17543.1 Ų43.176%0.76124%0.235SC*.THydrogen-bonded Turntrans-80.3-3-164.9-65.2-174179.7-179.10115.8G281 L282 R317G281-K319 WeakPolarHBondContact CA-O 3.37Å; L282-K319 PolarHBondContact N-O 3.32Å; R317-K319 PolarHBondContact O-N 3.5Å; R317-K319 VanDerWaalsContact O-N 3.16Å
320V88.6Confident87.5Confident57 Ų5742.1 Ų42.135%0.34523%0.229SC..EExtended strand (participates in β ladder)trans-130.2147.5-176.3-177.80000110.2V279 V280 L316 G318 Q376V279-V320 HydrophobicContact CG1-CG1 3.54Å; V280-V320 WeakPolarHBondContact O-CA 3.12Å; L316-V320 HydrophobicContact CD2-CG1 4.35Å; G318-V320 VanDerWaalsContact C-N 3.35Å; G318-V320 PolarHBondContact O-N 2.91Å; V320-Q376 PolarHBondContact O-NE2 3.32Å
321G90.4Very high86.9Confident0 Ų042.3 Ų42.30%023%0.231CC..EExtended strand (participates in β ladder)trans-149.6161.4171.700000112.8V280 V375V280-G321 PolarHBondContact N-O 2.97Å; V280-G321 PolarHBondContact O-N 2.92Å; G321-V375 CarbonylContact C-O 3.59Å; G321-V375 WeakPolarHBondContact CA-O 3.4Å
322A92.6Very high86.1Confident1 Ų143.7 Ų43.71%0.00824%0.244CC..EExtended strand (participates in β ladder)trans-96.3122.7175.400000110.3L276 V279 L313 L316 F324 V375L276-A322 HydrophobicContact CD1-CB 4.07Å; V279-A322 HydrophobicContact CG2-CB 4.36Å; L313-A322 HydrophobicContact CD2-CB 3.71Å; L316-A322 HydrophobicContact CD1-CB 3.74Å; A322-F324 HydrophobicContact CB-CD2 4.3Å; A322-F324 HydrophobicContact CB-CE2 3.72Å; A322-V375 PolarHBondContact N-O 2.94Å; A322-V375 PolarHBondContact O-N 3.13Å
323L92.6Very high85Confident22 Ų2242.7 Ų42.712%0.11524%0.241CC..EExtended strand (participates in β ladder)trans-92.3115.3179.1-177.960.8000110.5V277 Q278 V280 F372 I391V277-L323 HydrophobicContact CB-CD2 4.48Å; V277-L323 HydrophobicContact CB-CG 4.3Å; V277-L323 WeakPolarHBondContact CB-O 3.41Å; V277-L323 PolarHBondContact N-O 2.73Å; Q278-L323 PolarHBondContact N-O 3.16Å; Q278-L323 WeakPolarHBondContact O-CB 3.32Å; Q278-L323 PolarHBondContact O-N 3.33Å; V280-L323 HydrophobicContact CG2-CB 4.36Å; L323-F372 HydrophobicContact CD1-CB 4.15Å; L323-F372 HydrophobicContact CD1-CD1 4.37Å; L323-I391 HydrophobicContact CD1-CD1 3.82Å
324F93.1Very high83.6Confident3 Ų345.3 Ų45.31%0.01326%0.258CS..EExtended strand (participates in β ladder)trans-105.7153.8173.1-69.5-96.1000111.3L222 L274 D275 L276 L313 A322 L373 V375L222-F324 HydrophobicContact CB-CE1 4.21Å; L222-F324 HydrophobicContact CD1-CE1 4.19Å; L222-F324 HydrophobicContact CD1-CZ 4.02Å; L222-F324 HydrophobicContact CD2-CD1 4.29Å; L222-F324 HydrophobicContact CD2-CE1 3.98Å; L222-F324 HydrophobicContact CD2-CZ 4.43Å; L222-F324 HydrophobicContact CG-CE1 4.34Å; L274-F324 HydrophobicContact CB-CB 4.3Å; L274-F324 HydrophobicContact CB-CD1 3.93Å; L274-F324 HydrophobicContact CB-CG 4.44Å; D275-F324 CarbonylContact O-C 3.59Å; D275-F324 VanDerWaalsContact O-CA 3.3Å; D275-F324 WeakPolarHBondContact O-CA 3.38Å; L276-F324 HydrophobicContact CB-CD1 4.05Å; L276-F324 HydrophobicContact CB-CE1 3.76Å; L276-F324 HydrophobicContact CB-CZ 4.35Å; L276-F324 HydrophobicContact CD1-CD1 4.33Å; L276-F324 HydrophobicContact CD1-CD2 4.24Å; L276-F324 HydrophobicContact CD1-CE1 4.01Å; L276-F324 HydrophobicContact CD1-CE2 3.92Å; L276-F324 HydrophobicContact CD1-CG 4.45Å; L276-F324 HydrophobicContact CD1-CZ 3.8Å; L276-F324 HydrophobicContact CG-CE1 4.44Å; L313-F324 HydrophobicContact CD1-CE2 4.43Å; L313-F324 HydrophobicContact CD1-CZ 4.26Å; L313-F324 HydrophobicContact CD2-CE2 4.13Å; L313-F324 HydrophobicContact CD2-CZ 4.3Å; A322-F324 HydrophobicContact CB-CD2 4.3Å; A322-F324 HydrophobicContact CB-CE2 3.72Å; F324-L373 PolarHBondContact N-O 3.15Å; F324-L373 PolarHBondContact O-N 2.94Å; F324-V375 HydrophobicContact CD2-CB 4.19Å; F324-V375 HydrophobicContact CD2-CG2 3.53Å; F324-V375 HydrophobicContact CE2-CB 4.15Å; F324-V375 HydrophobicContact CE2-CG2 3.86Å
325S92.1Very high82.2Confident17 Ų1749.9 Ų49.912%0.11928%0.275CS..EExtended strand (participates in β ladder)trans-116.1125.8171.454.60000111.3D275 V277 Y371D275-S325 PolarHBondContact N-O 3.1Å; D275-S325 PolarHBondContact O-N 3.34Å; D275-S325 PolarHBondContact O-OG 2.93Å; V277-S325 WeakPolarHBondContact CG2-OG 3.36Å; S325-Y371 WeakPolarHBondContact CA-O 3.46Å
326L90.9Very high80.8Confident0 Ų046.6 Ų46.60%026%0.255CS..EExtended strand (participates in β ladder)trans-100.7110.2169.8-176.557.6000108.8W218 Y270 A271 L274 V370 Y371 L373W218-L326 HydrophobicContact CZ2-CD1 4.35Å; Y270-L326 HydrophobicContact CD1-CD2 3.74Å; Y270-L326 HydrophobicContact CD1-CG 4.27Å; Y270-L326 HydrophobicContact CG-CD2 4.46Å; A271-L326 WeakPolarHBondContact O-CD1 3.39Å; L274-L326 HydrophobicContact CD2-CB 3.55Å; L274-L326 HydrophobicContact CD2-CD1 3.84Å; L274-L326 HydrophobicContact CD2-CD2 4.46Å; L274-L326 HydrophobicContact CD2-CG 4.13Å; L326-V370 WeakPolarHBondContact O-CA 3.28Å; L326-Y371 PolarHBondContact N-O 3.16Å; L326-Y371 PolarHBondContact O-N 3.29Å; L326-L373 HydrophobicContact CB-CD1 4.33Å
327S87.9Confident79.4Confident49 Ų4949 Ų4934%0.34327%0.273SS..EExtended strand (participates in β ladder)trans-72.1140.6173.8-66.90000110.5A271A271-S327 WeakPolarHBondContact CB-O 3.43Å; A271-S327 PolarHBondContact N-O 3.37Å
328C86.3Confident78.1Confident1 Ų147.5 Ų47.51%0.00728%0.284CS..EExtended strand (participates in β ladder)trans-131.7141.5176.4-174.80000110.2Y269 Y270 S368 A369 Y371Y269-C328 CarbonylContact O-C 3.6Å; Y269-C328 WeakPolarHBondContact O-CA 3.4Å; Y270-C328 HydrophobicContact CD1-CB 4.39Å; C328-S368 WeakPolarHBondContact O-CA 3.45Å; C328-A369 PolarHBondContact N-O 2.93Å; C328-A369 PolarHBondContact O-N 2.86Å; C328-A369 VanDerWaalsContact O-O 3.04Å; C328-Y371 HydrophobicContact CB-CD2 4.24Å; C328-Y371 HydrophobicContact CB-CE2 4.06Å
329T84.8Confident76.9Confident31 Ų3148.4 Ų48.419%0.1928%0.283CS..EExtended strand (participates in β ladder)trans-109124166-57.80000109.3Y269 V364 E367Y269-T329 PolarHBondContact N-O 2.91Å; Y269-T329 PolarHBondContact O-N 2.86Å; T329-V364 HydrophobicContact CG2-CB 4.14Å; T329-V364 HydrophobicContact CG2-CG1 3.78Å; T329-E367 CarbonylContact C-O 3.5Å; T329-E367 VanDerWaalsContact CA-O 3.25Å; T329-E367 WeakPolarHBondContact CA-O 3.49Å
330I81.9Confident75.7Confident4 Ų442.4 Ų42.42%0.02126%0.258CS..EExtended strand (participates in β ladder)trans-105.2131.2-178.4-51.6168.4000108.5C52 V266 F267 G366 E367 A369C52-I330 VanDerWaalsContact SG-CD1 3.59Å; V266-I330 HydrophobicContact CB-CG2 3.79Å; V266-I330 HydrophobicContact CG1-CG2 4.42Å; V266-I330 HydrophobicContact CG2-CG2 3.74Å; F267-I330 WeakPolarHBondContact O-CA 3.29Å; I330-G366 CarbonylContact O-C 3.56Å; I330-G366 WeakPolarHBondContact O-CA 3.41Å; I330-E367 PolarHBondContact N-O 3.5Å; I330-E367 PolarHBondContact O-N 3.37Å; I330-A369 HydrophobicContact CD1-CB 3.79Å; I330-A369 HydrophobicContact CG1-CB 4.37Å
331T77.9Confident74.4Confident8 Ų840.5 Ų40.55%0.04925%0.245CC..EExtended strand (participates in β ladder)trans-148.7142.8177.5-173.40000112.3F267 Y269 I333 V364 K365F267-T331 HydrophobicContact CB-CG2 4.46Å; F267-T331 PolarHBondContact N-O 2.87Å; F267-T331 PolarHBondContact O-N 3.38Å; Y269-T331 HydrophobicContact CD2-CG2 4.03Å; Y269-T331 HydrophobicContact CE2-CG2 3.6Å; T331-I333 WeakPolarHBondContact CG2-O 3.24Å; T331-I333 PolarHBondContact O-N 3.48Å; T331-I333 PolarHBondContact OG1-N 3.36Å; T331-V364 HydrophobicContact CG2-CG1 3.95Å; T331-K365 WeakPolarHBondContact CB-O 3.45Å; T331-K365 PolarHBondContact OG1-O 3.03Å
332P70.4Confident73.5Confident94 Ų9441.7 Ų41.761%0.6125%0.254SS*.SBendtrans-78.3-1.5171.433.5-36000113V266V266-P332 HydrophobicContact CG1-CB 4.45Å
333I67.3Low72.6Confident107 Ų10742.2 Ų42.255%0.54926%0.258SS..  trans-100.6118.5-177.8-55.9178.5000109.7T331 Q335T331-I333 WeakPolarHBondContact CG2-O 3.24Å; T331-I333 PolarHBondContact O-N 3.48Å; T331-I333 PolarHBondContact OG1-N 3.36Å; I333-Q335 VanDerWaalsContact C-N 3.31Å; I333-Q335 PolarHBondContact O-N 3.09Å
334T58.7Low71.6Confident67 Ų6748.1 Ų48.141%0.41129%0.285SS..SBendtrans-61.7-30.6-169.3-39.80000115.4F267 Y269F267-T334 HydrophobicContact CE1-CG2 4.1Å; F267-T334 VanDerWaalsContact CE2-CA 3.5Å; F267-T334 HydrophobicContact CE2-CG2 3.92Å; F267-T334 VanDerWaalsContact CE2-OG1 3.32Å; F267-T334 WeakPolarHBondContact CE2-OG1 3.33Å; F267-T334 HydrophobicContact CZ-CG2 3.68Å; Y269-T334 PolarHBondContact OH-O 3.49Å
335Q59Low70.6Confident131 Ų13154.1 Ų54.161%0.61231%0.307SS*.  trans-148.4138.5-171.9-67.4173.1-14.900110.7I333I333-Q335 VanDerWaalsContact C-N 3.31Å; I333-Q335 PolarHBondContact O-N 3.09Å
336P56.9Low69.7Low19 Ų1954.1 Ų54.112%0.12330%0.304CS..  trans-71.7160.8160.432.2-32.6000110.2P140 A338 L341 V362P140-P336 HydrophobicContact CG-CG 3.36Å; P336-A338 PolarHBondContact O-N 3.01Å; P336-L341 HydrophobicContact CG-CD1 4.34Å; P336-V362 HydrophobicContact CB-CG1 4.48Å; P336-V362 HydrophobicContact CG-CG1 3.89Å
337P56.4Low68.9Low87 Ų8758.4 Ų58.457%0.56532%0.323SS*.  trans-63.6122.6-17425.4-34.7000111.7S339 Q340P337-S339 PolarHBondContact O-N 3.35Å; P337-S339 PolarHBondContact O-OG 3.07Å; P337-S339 VanDerWaalsContact O-OG 3.09Å; P337-Q340 PolarHBondContact O-N 3.19Å
338A53.2Low68.2Low77 Ų7760.6 Ų60.664%0.63633%0.328SS*.G310 helixtrans-43-28.2-172.600000115.7P336 Q340 L341P336-A338 PolarHBondContact O-N 3.01Å; A338-Q340 PolarHBondContact O-N 3.31Å; A338-L341 CarbonylContact O-C 3.6Å; A338-L341 PolarHBondContact O-N 3.28Å
339S52.4Low67.3Low66 Ų6662.1 Ų62.146%0.46234%0.338SS..G310 helixtrans-44.1-27.2165.769.60000115.8P337 R345P337-S339 PolarHBondContact O-N 3.35Å; P337-S339 PolarHBondContact O-OG 3.07Å; P337-S339 VanDerWaalsContact O-OG 3.09Å; S339-R345 WeakPolarHBondContact O-CD 3.37Å; S339-R345 PolarHBondContact O-NE 2.96Å; S339-R345 PolarHBondContact O-NH1 2.95Å; S339-R345 PolarHBondContact O-NH2 3.45Å
340Q56.9Low66.5Low50 Ų5062.2 Ų62.223%0.23434%0.338CS..G310 helixtrans-86-26.1177.8-68.7-175.5-20.500113.5P337 A338P337-Q340 PolarHBondContact O-N 3.19Å; A338-Q340 PolarHBondContact O-N 3.31Å
341L61.7Low65.9Low16 Ų1666.3 Ų66.38%0.08437%0.366CS..SBendtrans-10571.4-178-61.2172.6000108.7P140 W176 P336 A338 V362P140-L341 HydrophobicContact CG-CD1 4.19Å; W176-L341 HydrophobicContact CZ2-CD2 3.82Å; P336-L341 HydrophobicContact CG-CD1 4.34Å; A338-L341 CarbonylContact O-C 3.6Å; A338-L341 PolarHBondContact O-N 3.28Å; L341-V362 HydrophobicContact CD2-CG1 4.44Å; L341-V362 HydrophobicContact CD2-CG2 3.92Å
342S70.8Confident65.5Low25 Ų2574.5 Ų74.518%0.17540%0.396CS..  trans-132.9127.7172.6-177.50000113.3D136 Q344 R345 W346D136-S342 WeakPolarHBondContact OD2-CA 3.23Å; S342-Q344 PolarHBondContact O-N 3.43Å; S342-Q344 VanDerWaalsContact O-N 3.14Å; S342-Q344 PolarHBondContact OG-N 3.45Å; S342-R345 WeakPolarHBondContact O-CA 3.37Å; S342-R345 WeakPolarHBondContact O-CB 3.25Å; S342-R345 PolarHBondContact O-N 3.49Å; S342-W346 PolarHBondContact O-N 2.89Å
343S72.5Confident65Low13 Ų1372.6 Ų72.69%0.09138%0.383CS..Hα-helixtrans-46.5-32.6166.255.40000113D136 W346 K347D136-S343 WeakPolarHBondContact OD1-CB 3.39Å; D136-S343 PolarHBondContact OD1-N 3.05Å; D136-S343 VanDerWaalsContact OD2-CB 3.28Å; D136-S343 WeakPolarHBondContact OD2-CB 3.38Å; D136-S343 PolarHBondContact OD2-N 3.3Å; D136-S343 PolarHBondContact OD2-OG 3.47Å; S343-W346 PolarHBondContact O-N 2.71Å; S343-K347 WeakPolarHBondContact O-CB 3.45Å; S343-K347 VanDerWaalsContact O-CG 3.27Å; S343-K347 WeakPolarHBondContact O-CG 3.49Å; S343-K347 PolarHBondContact O-N 2.68Å
344Q72.7Confident64.5Low146 Ų14672.1 Ų72.168%0.68239%0.387SS*.Hα-helixtrans-62.6-43.1173.6-61.6-175.53.600111.6S342 W346 K347 E348S342-Q344 PolarHBondContact O-N 3.43Å; S342-Q344 VanDerWaalsContact O-N 3.14Å; S342-Q344 PolarHBondContact OG-N 3.45Å; Q344-W346 VanDerWaalsContact C-N 3.34Å; Q344-K347 PolarHBondContact O-N 2.97Å; Q344-E348 WeakPolarHBondContact O-CB 3.41Å; Q344-E348 PolarHBondContact O-N 3.31Å
345R71.9Confident64Low129 Ų12978.9 Ų78.949%0.48741%0.41SS..Hα-helixtrans-69.8-30.9175.7-69.6-171.8174.6-176.77.4112.4S339 S342 C349S339-R345 WeakPolarHBondContact O-CD 3.37Å; S339-R345 PolarHBondContact O-NE 2.96Å; S339-R345 PolarHBondContact O-NH1 2.95Å; S339-R345 PolarHBondContact O-NH2 3.45Å; S342-R345 WeakPolarHBondContact O-CA 3.37Å; S342-R345 WeakPolarHBondContact O-CB 3.25Å; S342-R345 PolarHBondContact O-N 3.49Å; R345-C349 WeakPolarHBondContact O-CB 3.28Å; R345-C349 PolarHBondContact O-N 3.07Å
346W72.3Confident63.5Low17 Ų1774.7 Ų74.76%0.06440%0.396CS..Hα-helixtrans-70-47.5172.5-179.387.5000111.9H172 S342 S343 Q344 E348 C349 L350H172-W346 HydrophobicContact CB-CE3 4.36Å; H172-W346 HydrophobicContact CB-CH2 3.68Å; H172-W346 HydrophobicContact CB-CZ2 3.94Å; H172-W346 HydrophobicContact CB-CZ3 3.91Å; H172-W346 AromaticContact CD2-CD1 4Å; H172-W346 AromaticContact CD2-CD2 3.25Å; H172-W346 AromaticContact CD2-CE2 3.58Å; H172-W346 AromaticContact CD2-CE3 3.43Å; H172-W346 VanDerWaalsContact CD2-CE3 3.43Å; H172-W346 AromaticContact CD2-CG 3.53Å; H172-W346 AromaticContact CD2-CZ3 3.89Å; H172-W346 AromaticContact NE2-CD2 3.94Å; H172-W346 AromaticContact NE2-CG 3.83Å; S342-W346 PolarHBondContact O-N 2.89Å; S343-W346 PolarHBondContact O-N 2.71Å; Q344-W346 VanDerWaalsContact C-N 3.34Å; W346-E348 VanDerWaalsContact C-N 3.26Å; W346-E348 PolarHBondContact O-N 3.17Å; W346-C349 WeakPolarHBondContact O-CB 3.41Å; W346-C349 PolarHBondContact O-N 2.83Å; W346-L350 HydrophobicContact CD2-CD1 4Å; W346-L350 HydrophobicContact CD2-CG 4.27Å; W346-L350 HydrophobicContact CE3-CD1 4Å; W346-L350 HydrophobicContact CH2-CD1 3.54Å; W346-L350 HydrophobicContact CZ2-CD1 3.51Å; W346-L350 HydrophobicContact CZ2-CG 4.34Å; W346-L350 HydrophobicContact CZ3-CD1 3.78Å; W346-L350 PolarHBondContact O-N 2.98Å
347K75Confident63.3Low89 Ų8979.2 Ų79.239%0.38741%0.413SS..Hα-helixtrans-55.2-41.6172.1-70.6173.7-178.2179.30110.1D129 H132 S343 Q344 S351D129-K347 IonicContact OD1-NZ 2.67Å; D129-K347 PolarHBondContact OD1-NZ 3.15Å; H132-K347 PolarHBondContact CD2-NZ 2.99Å; H132-K347 WeakPolarHBondContact NE2-CE 3.42Å; S343-K347 WeakPolarHBondContact O-CB 3.45Å; S343-K347 VanDerWaalsContact O-CG 3.27Å; S343-K347 WeakPolarHBondContact O-CG 3.49Å; S343-K347 PolarHBondContact O-N 2.68Å; Q344-K347 PolarHBondContact O-N 2.97Å; K347-S351 PolarHBondContact O-N 2.7Å
348E73.9Confident63.2Low95 Ų9580.1 Ų80.144%0.44441%0.413SS..Hα-helixtrans-63.1-45.3170.1-85-161.5-126.700114Q344 W346 L350 S351 R352Q344-E348 WeakPolarHBondContact O-CB 3.41Å; Q344-E348 PolarHBondContact O-N 3.31Å; W346-E348 VanDerWaalsContact C-N 3.26Å; W346-E348 PolarHBondContact O-N 3.17Å; E348-L350 PolarHBondContact O-N 3.22Å; E348-S351 WeakPolarHBondContact O-CB 3.47Å; E348-S351 PolarHBondContact O-N 2.96Å; E348-S351 PolarHBondContact O-OG 2.84Å; E348-R352 WeakPolarHBondContact O-CG 3.47Å; E348-R352 PolarHBondContact O-N 2.98Å; E348-R352 IonicContact OE2-CZ 3.46Å; E348-R352 IonicContact OE2-NE 3.82Å; E348-R352 IonicContact OE2-NH2 3.98Å; E348-R352 PolarHBondContact OE2-NH2 3.36Å
349C66.1Low63.4Low34 Ų3479 Ų7923%0.2340%0.399CS..Hα-helixtrans-59.1-49-179.5-169.90000111.1R345 W346 S351 R352 T353R345-C349 WeakPolarHBondContact O-CB 3.28Å; R345-C349 PolarHBondContact O-N 3.07Å; W346-C349 WeakPolarHBondContact O-CB 3.41Å; W346-C349 PolarHBondContact O-N 2.83Å; C349-S351 VanDerWaalsContact C-N 3.28Å; C349-S351 PolarHBondContact O-N 2.9Å; C349-R352 PolarHBondContact O-N 2.95Å; C349-T353 PolarHBondContact O-N 3.41Å; C349-T353 PolarHBondContact O-OG1 3Å
350L69.4Low63.5Low33 Ų3377.3 Ų77.317%0.17339%0.386CS..Hα-helixtrans-59.6-36.6176.3-66.2-171.9000113W346 E348 R352 T353 P354 F357W346-L350 HydrophobicContact CD2-CD1 4Å; W346-L350 HydrophobicContact CD2-CG 4.27Å; W346-L350 HydrophobicContact CE3-CD1 4Å; W346-L350 HydrophobicContact CH2-CD1 3.54Å; W346-L350 HydrophobicContact CZ2-CD1 3.51Å; W346-L350 HydrophobicContact CZ2-CG 4.34Å; W346-L350 HydrophobicContact CZ3-CD1 3.78Å; W346-L350 PolarHBondContact O-N 2.98Å; E348-L350 PolarHBondContact O-N 3.22Å; L350-R352 PolarHBondContact O-N 2.92Å; L350-T353 CarbonylContact O-C 3.6Å; L350-T353 PolarHBondContact O-N 2.93Å; L350-P354 WeakPolarHBondContact O-CA 3.49Å; L350-P354 WeakPolarHBondContact O-CD 3.49Å; L350-P354 VanDerWaalsContact O-N 3.15Å; L350-F357 HydrophobicContact CD1-CD1 4.25Å; L350-F357 HydrophobicContact CD1-CE1 4.1Å; L350-F357 HydrophobicContact CD2-CD1 3.54Å; L350-F357 HydrophobicContact CD2-CE1 3.98Å; L350-F357 HydrophobicContact CD2-CG 4.24Å
351S69.3Low63.4Low89 Ų8982.7 Ų82.762%0.62242%0.416SS*.Hα-helixtrans-62.4-27.3176.281.40000113.2K347 E348 C349K347-S351 PolarHBondContact O-N 2.7Å; E348-S351 WeakPolarHBondContact O-CB 3.47Å; E348-S351 PolarHBondContact O-N 2.96Å; E348-S351 PolarHBondContact O-OG 2.84Å; C349-S351 VanDerWaalsContact C-N 3.28Å; C349-S351 PolarHBondContact O-N 2.9Å
352R69.1Low63.5Low181 Ų18183.3 Ų83.368%0.68342%0.42SS*.Hα-helixtrans-91.1-34.1-179.9-60.9173.7-168-157.96.5112.2E348 C349 L350E348-R352 WeakPolarHBondContact O-CG 3.47Å; E348-R352 PolarHBondContact O-N 2.98Å; E348-R352 IonicContact OE2-CZ 3.46Å; E348-R352 IonicContact OE2-NE 3.82Å; E348-R352 IonicContact OE2-NH2 3.98Å; E348-R352 PolarHBondContact OE2-NH2 3.36Å; C349-R352 PolarHBondContact O-N 2.95Å; L350-R352 PolarHBondContact O-N 2.92Å
353T59Low63.1Low53 Ų5386 Ų8633%0.32543%0.431SS..  trans-13261.1-17756.30000113.8C349 L350 K355 S356C349-T353 PolarHBondContact O-N 3.41Å; C349-T353 PolarHBondContact O-OG1 3Å; L350-T353 CarbonylContact O-C 3.6Å; L350-T353 PolarHBondContact O-N 2.93Å; T353-K355 PolarHBondContact O-N 3.44Å; T353-S356 PolarHBondContact O-N 3.17Å; T353-S356 PolarHBondContact O-OG 3.35Å
354P57.5Low62.9Low97 Ų9786.7 Ų86.763%0.6343%0.434SS*.THydrogen-bonded Turntrans-67.81.4-171.828-37.3000115.7L350L350-P354 WeakPolarHBondContact O-CA 3.49Å; L350-P354 WeakPolarHBondContact O-CD 3.49Å; L350-P354 VanDerWaalsContact O-N 3.15Å
355K47.6Very low62.8Low209 Ų20988.3 Ų88.391%0.90944%0.439SS*.THydrogen-bonded Turntrans-101-5.5174.1-65.9-173.6178.2-177.80113.6T353T353-K355 PolarHBondContact O-N 3.44Å
356S48.8Very low62.9Low43 Ų4383.1 Ų83.130%0.30143%0.425SS..  trans-144.3104.8-175.956.40000109.7T353 L358T353-S356 PolarHBondContact O-N 3.17Å; T353-S356 PolarHBondContact O-OG 3.35Å; S356-L358 PolarHBondContact O-N 3.15Å
357F53.8Low63.3Low114 Ų11486.5 Ų86.550%0.544%0.442SS..  trans-7265.9172.5-64.9-93.1000109.9L350L350-F357 HydrophobicContact CD1-CD1 4.25Å; L350-F357 HydrophobicContact CD1-CE1 4.1Å; L350-F357 HydrophobicContact CD2-CD1 3.54Å; L350-F357 HydrophobicContact CD2-CE1 3.98Å; L350-F357 HydrophobicContact CD2-CG 4.24Å
358L53.2Low63.5Low106 Ų10684.5 Ų84.556%0.55544%0.439SS*.PPolyproline II helixtrans-76129175.8-63.8176.5000108.9S356S356-L358 PolarHBondContact O-N 3.15Å
359V56.9Low63.9Low55 Ų5580.2 Ų80.233%0.33342%0.42SS..PPolyproline II helixtrans-62.9135.5169.5-176.20000108.2C175 W176 D361C175-V359 WeakPolarHBondContact O-CG2 3.39Å; W176-V359 HydrophobicContact CG-CG1 4.24Å; V359-D361 PolarHBondContact O-N 3.34Å
360P54.2Low64.8Low30 Ų3080.3 Ų80.320%0.19542%0.419CS..PPolyproline II helixtrans-59.5127.4171.2-21.933.4000110.2W176 V362W176-P360 HydrophobicContact CZ2-CG 4.42Å; P360-V362 PolarHBondContact O-N 3.21Å
361D56.8Low65.6Low162 Ų16278.8 Ų78.887%0.86641%0.411SS*.  trans-64.8104.5178.7-74.3-51.7000110.8V359 E363V359-D361 PolarHBondContact O-N 3.34Å; D361-E363 PolarHBondContact O-N 3Å
362V62.5Low66.6Low29 Ų2977.8 Ų77.818%0.17640%0.396CS..  trans-87.2104177.3-175.80000109.4P140 P336 L341 P360 V364P140-V362 HydrophobicContact CB-CG1 4.04Å; P140-V362 HydrophobicContact CG-CG1 4.07Å; P336-V362 HydrophobicContact CB-CG1 4.48Å; P336-V362 HydrophobicContact CG-CG1 3.89Å; L341-V362 HydrophobicContact CD2-CG1 4.44Å; L341-V362 HydrophobicContact CD2-CG2 3.92Å; P360-V362 PolarHBondContact O-N 3.21Å; V362-V364 PolarHBondContact O-N 2.85Å
363E62.6Low67.7Low83 Ų8369.2 Ų69.239%0.38836%0.363SS..  trans-73.485.3179.8-69.8-159.7128.500113.1D361 K365 L543D361-E363 PolarHBondContact O-N 3Å; E363-K365 PolarHBondContact O-N 3.38Å; E363-L543 WeakPolarHBondContact OE1-CD1 3.42Å
364V67.6Low69.2Low26 Ų2666.7 Ų66.716%0.15835%0.348CS..  trans-67.1113.7170.6-1760000110P140 Y269 T329 T331 V362 G366P140-V364 HydrophobicContact CB-CG2 4.3Å; Y269-V364 HydrophobicContact CD1-CG2 4.15Å; Y269-V364 HydrophobicContact CD2-CG1 3.76Å; Y269-V364 HydrophobicContact CE1-CG2 4.45Å; Y269-V364 HydrophobicContact CE2-CG1 4Å; Y269-V364 HydrophobicContact CG-CG1 4.13Å; Y269-V364 HydrophobicContact CG-CG2 4.23Å; T329-V364 HydrophobicContact CG2-CB 4.14Å; T329-V364 HydrophobicContact CG2-CG1 3.78Å; T331-V364 HydrophobicContact CG2-CG1 3.95Å; V362-V364 PolarHBondContact O-N 2.85Å; V364-G366 PolarHBondContact O-N 3.32Å
365K71.1Confident70.8Confident181 Ų18162.2 Ų62.279%0.78732%0.319SS*.  trans-74.5112.8171.2-70.3-177.2-179.2177.20109.6T331 E363T331-K365 WeakPolarHBondContact CB-O 3.45Å; T331-K365 PolarHBondContact OG1-O 3.03Å; E363-K365 PolarHBondContact O-N 3.38Å
366G75.1Confident72.9Confident20 Ų2053.3 Ų53.321%0.20628%0.281CS..SBendtrans-173.8174.5179.500000113.6I330 V364 R539I330-G366 CarbonylContact O-C 3.56Å; I330-G366 WeakPolarHBondContact O-CA 3.41Å; V364-G366 PolarHBondContact O-N 3.32Å; G366-R539 PolarHBondContact O-NH1 3.46Å; G366-R539 PolarHBondContact O-NH2 3.45Å
367E79.9Confident74.6Confident87 Ų8751.4 Ų51.441%0.40727%0.268SS..EExtended strand (participates in β ladder)trans-65.3149166.3177.9169.8-151.200110S53 T329 I330S53-E367 VanDerWaalsContact CB-OE2 3.24Å; S53-E367 WeakPolarHBondContact CB-OE2 3.48Å; S53-E367 PolarHBondContact OG-OE2 3.02Å; T329-E367 CarbonylContact C-O 3.5Å; T329-E367 VanDerWaalsContact CA-O 3.25Å; T329-E367 WeakPolarHBondContact CA-O 3.49Å; I330-E367 PolarHBondContact N-O 3.5Å; I330-E367 PolarHBondContact O-N 3.37Å
368S79.8Confident75.7Confident48 Ų4846.5 Ų46.534%0.33625%0.248SC..EExtended strand (participates in β ladder)trans-112.2110.6177.2175.50000110.4C328 R535C328-S368 WeakPolarHBondContact O-CA 3.45Å; S368-R535 PolarHBondContact O-NH1 2.81Å
369A81.6Confident76.4Confident5 Ų546.4 Ų46.44%0.04125%0.248CC..EExtended strand (participates in β ladder)trans-109.3167.5176.800000110.9C52 C328 I330C52-A369 HydrophobicContact CB-CB 4.15Å; C328-A369 PolarHBondContact N-O 2.93Å; C328-A369 PolarHBondContact O-N 2.86Å; C328-A369 VanDerWaalsContact O-O 3.04Å; I330-A369 HydrophobicContact CD1-CB 3.79Å; I330-A369 HydrophobicContact CG1-CB 4.37Å
370V85.1Confident76.9Confident36 Ų3649.4 Ų49.422%0.21826%0.262CS..EExtended strand (participates in β ladder)trans-141.8126.4179.2-178.80000109.2L326 F372L326-V370 WeakPolarHBondContact O-CA 3.28Å; V370-F372 HydrophobicContact CB-CE2 4.4Å; V370-F372 HydrophobicContact CG1-CD2 4.5Å; V370-F372 HydrophobicContact CG1-CE1 4.2Å; V370-F372 HydrophobicContact CG1-CE2 4.08Å; V370-F372 HydrophobicContact CG1-CZ 3.92Å
371Y87.1Confident76.8Confident0 Ų054.7 Ų54.70%029%0.294CS..EExtended strand (participates in β ladder)trans-89.7138.3166.9-65.6-94.6000109.5F49 P50 C52 H268 Y270 S325 L326 C328 L390F49-Y371 HydrophobicContact CD1-CD1 4.34Å; F49-Y371 HydrophobicContact CD1-CE1 4.09Å; P50-Y371 VanDerWaalsContact O-CE1 3.26Å; P50-Y371 WeakPolarHBondContact O-CE1 3.3Å; P50-Y371 PolarHBondContact O-OH 3.1Å; C52-Y371 HydrophobicContact CB-CD1 4.32Å; C52-Y371 HydrophobicContact CB-CD2 4.4Å; C52-Y371 HydrophobicContact CB-CE1 3.78Å; C52-Y371 HydrophobicContact CB-CE2 3.84Å; C52-Y371 WeakPolarHBondContact SG-CE2 3.3Å; C52-Y371 PolarHBondContact SG-OH 3.36Å; H268-Y371 PolarHBondContact CE1-OH 3.1Å; H268-Y371 VanDerWaalsContact CE1-OH 3.27Å; H268-Y371 PolarHBondContact ND1-OH 3.14Å; Y270-Y371 HydrophobicContact CD1-CD2 4.39Å; Y270-Y371 HydrophobicContact CD1-CE2 4.14Å; Y270-Y371 HydrophobicContact CE1-CD2 4.11Å; Y270-Y371 AromaticContact CE1-CE2 3.5Å; Y270-Y371 HydrophobicContact CE1-CE2 3.5Å; Y270-Y371 VanDerWaalsContact CE1-CE2 3.5Å; S325-Y371 WeakPolarHBondContact CA-O 3.46Å; L326-Y371 PolarHBondContact N-O 3.16Å; L326-Y371 PolarHBondContact O-N 3.29Å; C328-Y371 HydrophobicContact CB-CD2 4.24Å; C328-Y371 HydrophobicContact CB-CE2 4.06Å; Y371-L390 HydrophobicContact CD1-CD1 3.78Å; Y371-L390 HydrophobicContact CD1-CD2 4.48Å; Y371-L390 HydrophobicContact CG-CD1 4.45Å
372F90.2Very high76.8Confident68 Ų6850.5 Ų50.530%0.29829%0.289SS..EExtended strand (participates in β ladder)trans-107121.6177.1-74.1-74.3000110.1V277 L323 V370 L390 I391V277-F372 HydrophobicContact CG2-CE1 4.47Å; L323-F372 HydrophobicContact CD1-CB 4.15Å; L323-F372 HydrophobicContact CD1-CD1 4.37Å; V370-F372 HydrophobicContact CB-CE2 4.4Å; V370-F372 HydrophobicContact CG1-CD2 4.5Å; V370-F372 HydrophobicContact CG1-CE1 4.2Å; V370-F372 HydrophobicContact CG1-CE2 4.08Å; V370-F372 HydrophobicContact CG1-CZ 3.92Å; F372-L390 WeakPolarHBondContact O-CD1 3.27Å; F372-I391 HydrophobicContact CB-CB 3.92Å; F372-I391 HydrophobicContact CB-CG2 4.43Å; F372-I391 PolarHBondContact O-N 2.64Å
373L91.2Very high76.6Confident1 Ų151.8 Ų51.81%0.00530%0.299CS..EExtended strand (participates in β ladder)trans-119111.8-170.6-65.6178.1000109.8L240 L274 F295 F324 L326 V388 L390L240-L373 HydrophobicContact CD1-CD1 3.73Å; L274-L373 HydrophobicContact CD2-CD1 3.82Å; F295-L373 HydrophobicContact CD2-CD2 4.34Å; F295-L373 HydrophobicContact CE2-CD2 4.36Å; F324-L373 PolarHBondContact N-O 3.15Å; F324-L373 PolarHBondContact O-N 2.94Å; L326-L373 HydrophobicContact CB-CD1 4.33Å; L373-V388 HydrophobicContact CB-CG1 3.75Å; L373-V388 HydrophobicContact CD2-CG1 3.98Å; L373-V388 HydrophobicContact CG-CG1 4.31Å; L373-L390 HydrophobicContact CD2-CB 4.36Å; L373-L390 HydrophobicContact CD2-CD1 3.92Å
374L91.6Very high77Confident0 Ų050.4 Ų50.40%031%0.308CS..EExtended strand (participates in β ladder)trans-88.3110176.6178.867.9000109.4V280 L282 L285 M290 Q376 V388 R389 I391V280-L374 HydrophobicContact CG2-CD1 4.01Å; L282-L374 HydrophobicContact CD2-CD1 4.42Å; L282-L374 HydrophobicContact CD2-CD2 3.74Å; L285-L374 HydrophobicContact CD1-CD1 4.23Å; L285-L374 HydrophobicContact CD1-CD2 4Å; M290-L374 HydrophobicContact CE-CD2 3.66Å; M290-L374 HydrophobicContact SD-CD2 3.86Å; L374-Q376 HydrophobicContact CG-CG 4.43Å; L374-V388 CarbonylContact O-C 3.6Å; L374-V388 VanDerWaalsContact O-CA 3.31Å; L374-V388 WeakPolarHBondContact O-CA 3.45Å; L374-R389 PolarHBondContact N-O 3.25Å; L374-R389 PolarHBondContact O-N 3.04Å; L374-I391 HydrophobicContact CB-CD1 4.04Å; L374-I391 HydrophobicContact CB-CG1 4.16Å
375V91.3Very high77.8Confident3 Ų350.2 Ų50.22%0.01831%0.306CS..EExtended strand (participates in β ladder)trans-96.4129.8-179.8-176.50000109.8L297 L313 G321 A322 F324 C386 V388L297-V375 HydrophobicContact CD2-CG1 3.81Å; L297-V375 HydrophobicContact CD2-CG2 4.19Å; L313-V375 HydrophobicContact CD1-CG1 4.48Å; G321-V375 CarbonylContact C-O 3.59Å; G321-V375 WeakPolarHBondContact CA-O 3.4Å; A322-V375 PolarHBondContact N-O 2.94Å; A322-V375 PolarHBondContact O-N 3.13Å; F324-V375 HydrophobicContact CD2-CB 4.19Å; F324-V375 HydrophobicContact CD2-CG2 3.53Å; F324-V375 HydrophobicContact CE2-CB 4.15Å; F324-V375 HydrophobicContact CE2-CG2 3.86Å; V375-C386 HydrophobicContact CG1-CB 3.64Å; V375-V388 HydrophobicContact CG2-CG1 4.27Å; V375-V388 HydrophobicContact CG2-CG2 4.15Å
376Q90.1Very high78.7Confident22 Ų2241.6 Ų41.610%0.10327%0.269CS..EExtended strand (participates in β ladder)trans-135.2157.7175.3-58.2-164.2-92.600109.9L316 G318 V320 L374 C386 R387L316-Q376 CarbonylContact O-C 3.55Å; L316-Q376 WeakPolarHBondContact O-CA 3.45Å; L316-Q376 WeakPolarHBondContact O-CB 3.49Å; G318-Q376 PolarHBondContact O-NE2 3.33Å; V320-Q376 PolarHBondContact O-NE2 3.32Å; L374-Q376 HydrophobicContact CG-CG 4.43Å; Q376-C386 CarbonylContact O-C 3.52Å; Q376-C386 VanDerWaalsContact O-CA 3.3Å; Q376-C386 WeakPolarHBondContact O-CA 3.39Å; Q376-C386 WeakPolarHBondContact O-CB 3.42Å; Q376-R387 PolarHBondContact N-O 3.03Å; Q376-R387 PolarHBondContact O-N 2.87Å; Q376-R387 VanDerWaalsContact O-O 3.11Å
377G84.9Confident79.4Confident3 Ų345 Ų453%0.03128%0.276CS..EExtended strand (participates in β ladder)trans-60.5140.2169.300000111.3L316L316-G377 PolarHBondContact O-N 3.18Å
378A77.7Confident79.9Confident11 Ų1140.9 Ų40.99%0.09126%0.256CS..  trans-65.2140.6169.200000109.9R317 D380 T385R317-A378 PolarHBondContact NH1-O 2.71Å; R317-A378 PolarHBondContact NH2-O 2.68Å; A378-D380 VanDerWaalsContact C-N 3.27Å; A378-D380 PolarHBondContact O-N 3.22Å; A378-T385 WeakPolarHBondContact CB-O 3.2Å
379D67.8Low80.3Confident105 Ų10541.2 Ų41.256%0.56125%0.25SS*.SBendtrans-65.3-36.4177.6-59.1-66.6000110.9R317 V381R317-D379 PolarHBondContact NH1-O 3.28Å; D379-V381 PolarHBondContact O-N 3.31Å
380D66.8Low80.5Confident117 Ų11741 Ų4163%0.62625%0.248SC*.SBendtrans-54.9120.2175.1-62.5-39.8000112.1A378 G382A378-D380 VanDerWaalsContact C-N 3.27Å; A378-D380 PolarHBondContact O-N 3.22Å; D380-G382 PolarHBondContact O-N 3.32Å; D380-G382 VanDerWaalsContact O-N 3.15Å
381V52.2Low80.6Confident141 Ų14139.7 Ų39.786%0.85524%0.24SC*.THydrogen-bonded Turntrans-75.9106.2-176.9-179.50000109.9D379D379-V381 PolarHBondContact O-N 3.31Å
382G55.9Low80.3Confident74 Ų7441.3 Ų41.376%0.76325%0.247SC*.THydrogen-bonded Turntrans105.67.3172.800000116.3D380 G384D380-G382 PolarHBondContact O-N 3.32Å; D380-G382 VanDerWaalsContact O-N 3.15Å; G382-G384 PolarHBondContact O-N 2.85Å; G382-G384 VanDerWaalsContact O-N 3.12Å
383S59.7Low79.4Confident56 Ų5638.2 Ų38.239%0.39224%0.235SC..  trans-59.1-24.3-178.3690000115.2T385S383-T385 PolarHBondContact O-N 3.1Å; S383-T385 PolarHBondContact OG-N 3.28Å; S383-T385 PolarHBondContact OG-O 3.2Å; S383-T385 PolarHBondContact OG-OG1 3.49Å; S383-T385 VanDerWaalsContact OG-OG1 3.1Å
384G71.4Confident78.6Confident55 Ų5545.1 Ų45.157%0.56727%0.267SS*.SBendtrans67.515.7-172.900000114L310 G382L310-G384 WeakPolarHBondContact CD2-O 3.47Å; G382-G384 PolarHBondContact O-N 2.85Å; G382-G384 VanDerWaalsContact O-N 3.12Å
385T84.5Confident77.3Confident21 Ų2146.7 Ų46.713%0.12928%0.277CS..  trans-132.1157-178.358.20000111.6L297 A378 S383L297-T385 WeakPolarHBondContact O-CA 3.43Å; A378-T385 WeakPolarHBondContact CB-O 3.2Å; S383-T385 PolarHBondContact O-N 3.1Å; S383-T385 PolarHBondContact OG-N 3.28Å; S383-T385 PolarHBondContact OG-O 3.2Å; S383-T385 PolarHBondContact OG-OG1 3.49Å; S383-T385 VanDerWaalsContact OG-OG1 3.1Å
386C88.2Confident76.1Confident0 Ų047.3 Ų47.30%028%0.28CS..EExtended strand (participates in β ladder)trans-107.8139.3171.1-71.70000110.1L297 L310 S314 V375 Q376L297-C386 HydrophobicContact CB-CB 4.27Å; L297-C386 PolarHBondContact N-O 3.4Å; L297-C386 PolarHBondContact O-N 2.94Å; L310-C386 HydrophobicContact CD1-CB 4.11Å; L310-C386 VanDerWaalsContact CD1-SG 3.55Å; S314-C386 PolarHBondContact N-SG 2.87Å; V375-C386 HydrophobicContact CG1-CB 3.64Å; Q376-C386 CarbonylContact O-C 3.52Å; Q376-C386 VanDerWaalsContact O-CA 3.3Å; Q376-C386 WeakPolarHBondContact O-CA 3.39Å; Q376-C386 WeakPolarHBondContact O-CB 3.42Å
387R89.7Confident75.1Confident93 Ų9349.7 Ų49.735%0.35129%0.293SS..EExtended strand (participates in β ladder)trans-74.2132.5172.1-177.3178179.8175.71.4108.9H294 Q376H294-R387 PolarHBondContact CD2-NH2 2.85Å; H294-R387 VanDerWaalsContact CD2-NH2 3.34Å; H294-R387 PolarHBondContact NE2-NH2 2.92Å; Q376-R387 PolarHBondContact N-O 3.03Å; Q376-R387 PolarHBondContact O-N 2.87Å; Q376-R387 VanDerWaalsContact O-O 3.11Å
388V90.3Very high74Confident0 Ų053.3 Ų53.30%031%0.312CS..EExtended strand (participates in β ladder)trans-114.3131.7174.6-1680000108.8L240 H294 F295 L297 L373 L374 V375L240-V388 HydrophobicContact CD2-CG2 3.97Å; H294-V388 CarbonylContact C-O 3.57Å; H294-V388 VanDerWaalsContact CA-O 3.25Å; H294-V388 WeakPolarHBondContact CA-O 3.25Å; F295-V388 HydrophobicContact CB-CB 4.17Å; F295-V388 PolarHBondContact N-O 2.81Å; F295-V388 WeakPolarHBondContact O-CB 3.27Å; F295-V388 PolarHBondContact O-N 2.85Å; L297-V388 HydrophobicContact CB-CG2 3.58Å; L373-V388 HydrophobicContact CB-CG1 3.75Å; L373-V388 HydrophobicContact CD2-CG1 3.98Å; L373-V388 HydrophobicContact CG-CG1 4.31Å; L374-V388 CarbonylContact O-C 3.6Å; L374-V388 VanDerWaalsContact O-CA 3.31Å; L374-V388 WeakPolarHBondContact O-CA 3.45Å; V375-V388 HydrophobicContact CG2-CG1 4.27Å; V375-V388 HydrophobicContact CG2-CG2 4.15Å
389R88.5Confident72.8Confident54 Ų5455.4 Ų55.420%0.20434%0.335CS..EExtended strand (participates in β ladder)trans-111.3131.1169-171.1-178-53.4-135.78108.9S291 L374S291-R389 WeakPolarHBondContact O-CD 3.44Å; S291-R389 VanDerWaalsContact O-CG 3.31Å; S291-R389 WeakPolarHBondContact O-CG 3.16Å; L374-R389 PolarHBondContact N-O 3.25Å; L374-R389 PolarHBondContact O-N 3.04Å
390L87.4Confident72.2Confident0 Ų053.6 Ų53.60%033%0.334CS..EExtended strand (participates in β ladder)trans-74134.8171.7173.569.9000109.6P50 S291 T293 F295 Y371 F372 L373P50-L390 HydrophobicContact CG-CD2 3.4Å; S291-L390 VanDerWaalsContact CB-O 3.3Å; S291-L390 WeakPolarHBondContact CB-O 3.32Å; S291-L390 PolarHBondContact N-O 2.93Å; S291-L390 VanDerWaalsContact N-O 3.08Å; S291-L390 WeakPolarHBondContact OG-CB 3.29Å; S291-L390 PolarHBondContact OG-O 2.8Å; T293-L390 HydrophobicContact CG2-CD2 4.48Å; T293-L390 PolarHBondContact O-N 3.02Å; T293-L390 VanDerWaalsContact O-N 3.11Å; F295-L390 HydrophobicContact CE2-CB 4.38Å; Y371-L390 HydrophobicContact CD1-CD1 3.78Å; Y371-L390 HydrophobicContact CD1-CD2 4.48Å; Y371-L390 HydrophobicContact CG-CD1 4.45Å; F372-L390 WeakPolarHBondContact O-CD1 3.27Å; L373-L390 HydrophobicContact CD2-CB 4.36Å; L373-L390 HydrophobicContact CD2-CD1 3.92Å
391I86.7Confident71.6Confident10 Ų1048.5 Ų48.55%0.05131%0.308CS..EExtended strand (participates in β ladder)trans-98.7132.6170-61.7-170.1000108.5L285 L289 M290 L323 F372 L374 S393L285-I391 HydrophobicContact CD1-CD1 4.12Å; L285-I391 HydrophobicContact CD2-CD1 4.22Å; L289-I391 HydrophobicContact CB-CG2 3.84Å; L289-I391 CarbonylContact O-C 3.53Å; L289-I391 VanDerWaalsContact O-CA 3.31Å; L289-I391 WeakPolarHBondContact O-CA 3.33Å; L289-I391 WeakPolarHBondContact O-CG2 3.49Å; M290-I391 HydrophobicContact SD-CG1 4.4Å; L323-I391 HydrophobicContact CD1-CD1 3.82Å; F372-I391 HydrophobicContact CB-CB 3.92Å; F372-I391 HydrophobicContact CB-CG2 4.43Å; F372-I391 PolarHBondContact O-N 2.64Å; L374-I391 HydrophobicContact CB-CD1 4.04Å; L374-I391 HydrophobicContact CB-CG1 4.16Å; I391-S393 PolarHBondContact O-N 2.81Å
392H79.4Confident71.8Confident33 Ų3344.2 Ų44.215%0.15329%0.288CS..PPolyproline II helixtrans-62119.2176.4-72-69000110.9L289 S291 Q396 L397L289-H392 PolarHBondContact O-N 2.96Å; S291-H392 WeakPolarHBondContact CA-NE2 3.16Å; S291-H392 WeakPolarHBondContact CB-NE2 3.44Å; H392-Q396 HydrophobicContact CB-CB 4.44Å; H392-L397 HydrophobicContact CB-CD2 3.64Å; H392-L397 HydrophobicContact CB-CG 4.06Å
393S73.2Confident71.8Confident4 Ų446.7 Ų46.73%0.02828%0.281CS..PPolyproline II helixtrans-74.4164.8173.464.90000112I391 S395 Q396 L397I391-S393 PolarHBondContact O-N 2.81Å; S393-S395 PolarHBondContact O-N 2.74Å; S393-S395 PolarHBondContact OG-OG 3.4Å; S393-Q396 PolarHBondContact O-N 2.72Å; S393-Q396 VanDerWaalsContact OG-CD 3.29Å; S393-Q396 WeakPolarHBondContact OG-CG 3.23Å; S393-Q396 PolarHBondContact OG-OE1 2.75Å; S393-L397 PolarHBondContact O-N 2.88Å
394H72.6Confident71.7Confident146 Ų14646.3 Ų46.368%0.67628%0.281SS*.THydrogen-bonded Turntrans-54.4-20.9-179.259.613.5000115.7
395S65.4Low70.9Confident32 Ų3244.2 Ų44.222%0.22426%0.257CS..THydrogen-bonded Turntrans-98.3-9.6-178.534.30000112.5C52 S393C52-S395 WeakPolarHBondContact O-CB 3.13Å; C52-S395 PolarHBondContact O-OG 3.03Å; S393-S395 PolarHBondContact O-N 2.74Å; S393-S395 PolarHBondContact OG-OG 3.4Å
396Q66.3Low69.5Low16 Ų1647.7 Ų47.78%0.07528%0.275CS..THydrogen-bonded Turntrans-99.7-18.8174.4-68.4167.1-45.600112.1A51 H392 S393 N398 A401A51-Q396 VanDerWaalsContact O-CG 3.31Å; A51-Q396 WeakPolarHBondContact O-CG 3.34Å; A51-Q396 PolarHBondContact O-NE2 3.22Å; H392-Q396 HydrophobicContact CB-CB 4.44Å; S393-Q396 PolarHBondContact O-N 2.72Å; S393-Q396 VanDerWaalsContact OG-CD 3.29Å; S393-Q396 WeakPolarHBondContact OG-CG 3.23Å; S393-Q396 PolarHBondContact OG-OE1 2.75Å; Q396-N398 PolarHBondContact O-N 2.84Å; Q396-A401 WeakPolarHBondContact O-CB 3.41Å
397L67.9Low67.9Low72 Ų7249.9 Ų49.938%0.37729%0.29SS..  trans-74.971.9176.2-67.4171000111.5F288 L289 H392 S393F288-L397 HydrophobicContact CD2-CD2 4.32Å; L289-L397 HydrophobicContact CD2-CD1 3.55Å; L289-L397 HydrophobicContact CD2-CD2 3.97Å; L289-L397 HydrophobicContact CD2-CG 4.36Å; H392-L397 HydrophobicContact CB-CD2 3.64Å; H392-L397 HydrophobicContact CB-CG 4.06Å; S393-L397 PolarHBondContact O-N 2.88Å
398N62.2Low66.1Low79 Ų7946.3 Ų46.342%0.42228%0.279SS..SBendtrans-105.2179.1167.967.419.2000110.7Q396 A400 A401 A402Q396-N398 PolarHBondContact O-N 2.84Å; N398-A400 PolarHBondContact O-N 2.83Å; N398-A400 WeakPolarHBondContact OD1-CA 3.5Å; N398-A400 WeakPolarHBondContact OD1-CB 3.4Å; N398-A400 PolarHBondContact OD1-N 2.75Å; N398-A401 PolarHBondContact O-N 3.47Å; N398-A401 PolarHBondContact OD1-N 3.32Å; N398-A402 PolarHBondContact O-N 3.37Å; N398-A402 VanDerWaalsContact O-N 3.15Å
399G52.5Low64.4Low56 Ų5650.4 Ų50.458%0.57730%0.301SS*.Hα-helixtrans-57.3-32.8178.200000113.8A402 M403G399-A402 PolarHBondContact O-N 2.77Å; G399-M403 WeakPolarHBondContact O-CB 3.08Å; G399-M403 VanDerWaalsContact O-CG 3.29Å; G399-M403 WeakPolarHBondContact O-CG 3.25Å; G399-M403 PolarHBondContact O-N 2.95Å
400A54.7Low62.8Low67 Ų6754.8 Ų54.855%0.55433%0.327SS*.Hα-helixtrans-69.6-38.3177.800000112.5N398 M403 A404N398-A400 PolarHBondContact O-N 2.83Å; N398-A400 WeakPolarHBondContact OD1-CA 3.5Å; N398-A400 WeakPolarHBondContact OD1-CB 3.4Å; N398-A400 PolarHBondContact OD1-N 2.75Å; A400-M403 PolarHBondContact O-N 2.79Å; A400-A404 VanDerWaalsContact O-CB 3.29Å; A400-A404 WeakPolarHBondContact O-CB 3.43Å; A400-A404 PolarHBondContact O-N 2.83Å
401A55.3Low61.1Low9 Ų960.6 Ų60.67%0.07435%0.349CS..Hα-helixtrans-68.6-37.2174.400000112.6Q396 N398 A404 T405Q396-A401 WeakPolarHBondContact O-CB 3.41Å; N398-A401 PolarHBondContact O-N 3.47Å; N398-A401 PolarHBondContact OD1-N 3.32Å; A401-A404 PolarHBondContact O-N 2.98Å; A401-T405 PolarHBondContact O-N 3.39Å; A401-T405 PolarHBondContact O-OG1 2.91Å
402A56.7Low59.1Low51 Ų5167.2 Ų67.242%0.42138%0.38SS..Hα-helixtrans-61.9-48.5171.900000111.3N398 G399 A404 T405 L406N398-A402 PolarHBondContact O-N 3.37Å; N398-A402 VanDerWaalsContact O-N 3.15Å; G399-A402 PolarHBondContact O-N 2.77Å; A402-A404 PolarHBondContact O-N 2.93Å; A402-T405 PolarHBondContact O-N 3.04Å; A402-L406 WeakPolarHBondContact O-CG 3.49Å; A402-L406 PolarHBondContact O-N 2.87Å
403M56.2Low56.9Low126 Ų12674 Ų7462%0.62141%0.409SS*.Hα-helixtrans-63.8-37.8176.1-71-60.8-71.200112.8G399 A400 L406 S407G399-M403 WeakPolarHBondContact O-CB 3.08Å; G399-M403 VanDerWaalsContact O-CG 3.29Å; G399-M403 WeakPolarHBondContact O-CG 3.25Å; G399-M403 PolarHBondContact O-N 2.95Å; A400-M403 PolarHBondContact O-N 2.79Å; M403-L406 PolarHBondContact O-N 2.81Å; M403-L406 HydrophobicContact SD-CD1 4.07Å; M403-S407 WeakPolarHBondContact O-CB 3.37Å; M403-S407 PolarHBondContact O-N 2.9Å
404A56.5Low55.5Low48 Ų4879.6 Ų79.640%0.39745%0.445SS..Hα-helixtrans-61.9-44.2174.600000111.4A400 A401 A402 S407 S408A400-A404 VanDerWaalsContact O-CB 3.29Å; A400-A404 WeakPolarHBondContact O-CB 3.43Å; A400-A404 PolarHBondContact O-N 2.83Å; A401-A404 PolarHBondContact O-N 2.98Å; A402-A404 PolarHBondContact O-N 2.93Å; A404-S407 PolarHBondContact O-N 3.16Å; A404-S407 PolarHBondContact O-OG 3.45Å; A404-S408 PolarHBondContact O-N 2.94Å; A404-S408 VanDerWaalsContact O-N 3.1Å
405T54.8Low53.6Low11 Ų1179.9 Ų79.97%0.06745%0.45CS..Hα-helixtrans-67.2-42.3178.3-47.50000111.8A401 A402 S407 S408 L409A401-T405 PolarHBondContact O-N 3.39Å; A401-T405 PolarHBondContact O-OG1 2.91Å; A402-T405 PolarHBondContact O-N 3.04Å; T405-S407 VanDerWaalsContact C-N 3.33Å; T405-S407 PolarHBondContact O-N 2.96Å; T405-S408 WeakPolarHBondContact O-CB 3.5Å; T405-S408 PolarHBondContact O-N 2.9Å; T405-L409 HydrophobicContact CG2-CD1 4.23Å; T405-L409 HydrophobicContact CG2-CG 4.49Å; T405-L409 WeakPolarHBondContact O-CG 3.14Å; T405-L409 PolarHBondContact O-N 2.83Å
406L54.6Low52Low95 Ų9583.7 Ų83.750%0.49748%0.477SS..Hα-helixtrans-57.5-45.2171.3-71168.3000111.4A402 M403 S408 L409 L410A402-L406 WeakPolarHBondContact O-CG 3.49Å; A402-L406 PolarHBondContact O-N 2.87Å; M403-L406 PolarHBondContact O-N 2.81Å; M403-L406 HydrophobicContact SD-CD1 4.07Å; L406-S408 PolarHBondContact O-N 3.03Å; L406-S408 VanDerWaalsContact O-N 3.14Å; L406-L409 PolarHBondContact O-N 2.92Å; L406-L410 WeakPolarHBondContact O-CB 3.35Å; L406-L410 VanDerWaalsContact O-CG 3.26Å; L406-L410 WeakPolarHBondContact O-CG 3.5Å; L406-L410 PolarHBondContact O-N 3.01Å
407S56.1Low51Low46 Ų4688.5 Ų88.532%0.32251%0.512SS..Hα-helixtrans-64.7-15.6176.786.30000114.3M403 A404 T405 R411M403-S407 WeakPolarHBondContact O-CB 3.37Å; M403-S407 PolarHBondContact O-N 2.9Å; A404-S407 PolarHBondContact O-N 3.16Å; A404-S407 PolarHBondContact O-OG 3.45Å; T405-S407 VanDerWaalsContact C-N 3.33Å; T405-S407 PolarHBondContact O-N 2.96Å; S407-R411 WeakPolarHBondContact O-CG 3.41Å; S407-R411 PolarHBondContact O-NE 3.17Å
408S51.7Low49.4Very low18 Ų1888.5 Ų88.513%0.12653%0.53CS..Hα-helixtrans-93-43.7175.2-158.60000111.5N292 A404 T405 L406 L410 R411N292-S408 WeakPolarHBondContact ND2-CB 3.49Å; N292-S408 PolarHBondContact ND2-OG 2.65Å; N292-S408 PolarHBondContact OD1-OG 3.14Å; A404-S408 PolarHBondContact O-N 2.94Å; A404-S408 VanDerWaalsContact O-N 3.1Å; T405-S408 WeakPolarHBondContact O-CB 3.5Å; T405-S408 PolarHBondContact O-N 2.9Å; L406-S408 PolarHBondContact O-N 3.03Å; L406-S408 VanDerWaalsContact O-N 3.14Å; S408-L410 PolarHBondContact O-N 3.48Å; S408-R411 WeakPolarHBondContact O-CB 3.35Å; S408-R411 PolarHBondContact O-N 3Å
409L54.9Low48.2Very low85 Ų8594 Ų9445%0.44555%0.553SS.*Hα-helixtrans-60.6-31174.1-68.4168.3000111.8T405 L406 R411T405-L409 HydrophobicContact CG2-CD1 4.23Å; T405-L409 HydrophobicContact CG2-CG 4.49Å; T405-L409 WeakPolarHBondContact O-CG 3.14Å; T405-L409 PolarHBondContact O-N 2.83Å; L406-L409 PolarHBondContact O-N 2.92Å; L409-R411 VanDerWaalsContact C-N 3.27Å; L409-R411 PolarHBondContact O-N 2.95Å
410L54Low47.5Very low146 Ų14695.6 Ų95.676%0.76456%0.56SS**THydrogen-bonded Turntrans-70.5-14172.3-71.7168.6000114.3L406 S408L406-L410 WeakPolarHBondContact O-CB 3.35Å; L406-L410 VanDerWaalsContact O-CG 3.26Å; L406-L410 WeakPolarHBondContact O-CG 3.5Å; L406-L410 PolarHBondContact O-N 3.01Å; S408-L410 PolarHBondContact O-N 3.48Å
411R51Low46.8Very low123 Ų12399.1 Ų99.146%0.46457%0.57SS.*THydrogen-bonded Turntrans-92.3-24.3177.4-66.8173.6-154.7-120.6-4.7113.9S407 S408 L409 K413S407-R411 WeakPolarHBondContact O-CG 3.41Å; S407-R411 PolarHBondContact O-NE 3.17Å; S408-R411 WeakPolarHBondContact O-CB 3.35Å; S408-R411 PolarHBondContact O-N 3Å; L409-R411 VanDerWaalsContact C-N 3.27Å; L409-R411 PolarHBondContact O-N 2.95Å; R411-K413 PolarHBondContact O-N 3.38Å
412E44.5Very low46.2Very low148 Ų148103.2 Ų103.269%0.69260%0.598SS**SBendtrans-74.25.6-171.3-67.7-169.2146.300114.5
413K34.7Very low46Very low176 Ų176105 Ų10577%0.76560%0.601SS**  trans-147.1103.1171.8-70.1-171.8-179.6178.40114.6R411R411-K413 PolarHBondContact O-N 3.38Å
414P42.5Very low45.9Very low121 Ų121106.3 Ų106.379%0.78660%0.603SS**  trans-96113.8154.232.9-25.7000110.1
415I32.5Very low45.7Very low152 Ų152109.7 Ų109.778%0.77961%0.614SS**  trans-138136.3169.7-58.8-178.5000109
416S33.1Very low45.5Very low112 Ų112111.8 Ų111.878%0.78362%0.623SS**SBendtrans71.7124.8-171.9-157.80000114.9
417S44.4Very low45.5Very low118 Ų118112.3 Ų112.383%0.82563%0.632SS**  trans-69.3133.4163.749.20000110.4
418G34.8Very low45.4Very low72 Ų72114.9 Ų114.974%0.74264%0.641SS**  trans-167153.6171.300000107.3
419E36.4Very low45.7Very low194 Ų194117.2 Ų117.291%0.90765%0.652SS**  trans-65.5145.6-178.5-69.9171.7115.300110.9D421E419-D421 VanDerWaalsContact C-N 3.26Å; E419-D421 PolarHBondContact O-N 2.97Å
420A38.7Very low46Very low89 Ų89115.8 Ų115.874%0.73665%0.649SS**  trans-81.369.6-171.400000111.7S422A420-S422 PolarHBondContact O-N 3.49Å
421D39.4Very low46.5Very low141 Ų141112.8 Ų112.875%0.75463%0.63SS**  trans-53.6120.5169.6-99.2-25.7000109.9E419 N423 F424E419-D421 VanDerWaalsContact C-N 3.26Å; E419-D421 PolarHBondContact O-N 2.97Å; D421-N423 PolarHBondContact O-N 3.46Å; D421-F424 WeakPolarHBondContact O-CE1 3.43Å; D421-F424 WeakPolarHBondContact O-CZ 3.19Å
422S42.2Very low47.2Very low95 Ų95112.8 Ų112.866%0.66464%0.635SS**SBendtrans-70.4-1.6-165.747.90000115.3A420A420-S422 PolarHBondContact O-N 3.49Å
423N52.6Low48.1Very low89 Ų89108 Ų10848%0.47663%0.626SS.*  trans-107.344.4-166.4-68.4-23.3000114.2D421 L425 H426D421-N423 PolarHBondContact O-N 3.46Å; N423-L425 PolarHBondContact O-N 2.7Å; N423-H426 PolarHBondContact O-N 3.09Å
424F54.9Low49.8Very low153 Ų153104 Ų10467%0.67161%0.612SS**THydrogen-bonded Turntrans-55.2-12177.4-46.2-76.8000115.4D421D421-F424 WeakPolarHBondContact O-CE1 3.43Å; D421-F424 WeakPolarHBondContact O-CZ 3.19Å
425L51.6Low51.1Low120 Ų12099.2 Ų99.263%0.62858%0.582SS**THydrogen-bonded Turntrans-86.5-16.6177.5-61.2177.7000113.9N423 L428N423-L425 PolarHBondContact O-N 2.7Å; L425-L428 HydrophobicContact CB-CD1 4.43Å; L425-L428 HydrophobicContact CD2-CD1 3.75Å; L425-L428 WeakPolarHBondContact O-CB 3.27Å; L425-L428 WeakPolarHBondContact O-CG 3.2Å; L425-L428 PolarHBondContact O-N 2.77Å
426H50.8Low53.1Low54 Ų5495.7 Ų95.725%0.2556%0.564CS.*THydrogen-bonded Turntrans-57.8-40.6-179.6-71.8-14.7000114N423 L428 T493 E495N423-H426 PolarHBondContact O-N 3.09Å; H426-L428 PolarHBondContact O-N 2.83Å; H426-T493 WeakPolarHBondContact O-CG2 3.39Å; H426-E495 IonicContact CD2-OE1 3.99Å
427P54.4Low55.2Low106 Ų10695.3 Ų95.369%0.68855%0.553SS**THydrogen-bonded Turntrans-64.2-4.8178.5-23.635.5000115.9
428L54.6Low56.8Low100 Ų10096.5 Ų96.552%0.52454%0.539SS..  trans-80.5131.4-178.6-59.3177.4000111.6L425 H426 A494L425-L428 HydrophobicContact CB-CD1 4.43Å; L425-L428 HydrophobicContact CD2-CD1 3.75Å; L425-L428 WeakPolarHBondContact O-CB 3.27Å; L425-L428 WeakPolarHBondContact O-CG 3.2Å; L425-L428 PolarHBondContact O-N 2.77Å; H426-L428 PolarHBondContact O-N 2.83Å; L428-A494 WeakPolarHBondContact O-CB 3.21Å; L428-A494 PolarHBondContact O-N 3.43Å
429L58.5Low59.1Low68 Ų6894.2 Ų94.236%0.35651%0.508SS..BIsolated β-bridgetrans-77.8127.3175.2-63.6174.2000110.2F431 D488 L491L429-F431 HydrophobicContact CB-CD2 4.3Å; L429-F431 HydrophobicContact CB-CE2 3.68Å; L429-F431 HydrophobicContact CB-CZ 4.18Å; L429-F431 HydrophobicContact CD1-CE2 4.34Å; L429-F431 HydrophobicContact CD1-CZ 4.27Å; L429-F431 WeakPolarHBondContact O-CD2 3.27Å; L429-F431 PolarHBondContact O-N 3.01Å; L429-D488 HydrophobicContact CD1-CB 3.92Å; L429-L491 HydrophobicContact CB-CD2 3.94Å; L429-L491 HydrophobicContact CD2-CB 4.15Å
430C60.3Low61.5Low55 Ų5589 Ų8937%0.37248%0.484SS..  trans-82.5106.3-177.7-169.10000112.2L491 P492C430-L491 WeakPolarHBondContact O-CD2 3.36Å; C430-P492 PolarHBondContact N-O 3.27Å
431F63.7Low63.8Low82 Ų8293.3 Ų93.336%0.3648%0.481SS..  trans-100.2110.2177.8-70.1-78000112.6L429 L436 R439 F487 D488 L491L429-F431 HydrophobicContact CB-CD2 4.3Å; L429-F431 HydrophobicContact CB-CE2 3.68Å; L429-F431 HydrophobicContact CB-CZ 4.18Å; L429-F431 HydrophobicContact CD1-CE2 4.34Å; L429-F431 HydrophobicContact CD1-CZ 4.27Å; L429-F431 WeakPolarHBondContact O-CD2 3.27Å; L429-F431 PolarHBondContact O-N 3.01Å; F431-L436 HydrophobicContact CB-CD1 4.35Å; F431-L436 HydrophobicContact CB-CD2 4.37Å; F431-L436 HydrophobicContact CB-CG 4.29Å; F431-L436 HydrophobicContact CD1-CD2 3.49Å; F431-L436 VanDerWaalsContact CD1-CD2 3.49Å; F431-L436 HydrophobicContact CD1-CG 4.14Å; F431-L436 HydrophobicContact CE1-CD2 4.04Å; F431-L436 HydrophobicContact CG-CD2 4.09Å; F431-R439 VanDerWaalsContact CE1-NH1 3.31Å; F431-F487 HydrophobicContact CE1-CE1 4.29Å; F431-D488 WeakPolarHBondContact CZ-OD1 3.4Å; F431-L491 HydrophobicContact CD1-CD2 3.55Å; F431-L491 HydrophobicContact CD2-CD2 4.2Å; F431-L491 HydrophobicContact CE1-CD2 3.34Å; F431-L491 HydrophobicContact CE2-CD2 4.04Å; F431-L491 HydrophobicContact CG-CD2 3.98Å; F431-L491 HydrophobicContact CZ-CD2 3.61Å
432Q65.9Low66.1Low123 Ų12391.3 Ų91.358%0.57547%0.466SS*.  trans-80.5143.3165-165.8179.824.300110D434 S435 L436Q432-D434 VanDerWaalsContact C-N 3.28Å; Q432-D434 PolarHBondContact O-N 3.49Å; Q432-S435 WeakPolarHBondContact O-CA 3.4Å; Q432-S435 WeakPolarHBondContact O-CB 3.45Å; Q432-S435 PolarHBondContact O-N 2.78Å; Q432-S435 PolarHBondContact O-OG 2.84Å; Q432-L436 PolarHBondContact O-N 2.98Å
433G64.9Low68.4Low48 Ų4886.9 Ų86.950%0.49543%0.434SS..Hα-helixtrans-53.6-42.1-177.800000113.9S435 L436 L437G433-S435 VanDerWaalsContact C-N 3.28Å; G433-S435 PolarHBondContact O-N 3.14Å; G433-L436 PolarHBondContact O-N 3.2Å; G433-L437 PolarHBondContact O-N 3.33Å
434D70.3Confident70.1Confident92 Ų9285 Ų8549%0.49243%0.431SS..Hα-helixtrans-69.8-20.8176.7-60.3-56.8000114.1Q432 R438Q432-D434 VanDerWaalsContact C-N 3.28Å; Q432-D434 PolarHBondContact O-N 3.49Å; D434-R438 WeakPolarHBondContact O-CB 3.49Å; D434-R438 VanDerWaalsContact O-CG 3.3Å; D434-R438 WeakPolarHBondContact O-CG 3.34Å; D434-R438 PolarHBondContact O-N 2.91Å; D434-R438 VanDerWaalsContact O-N 3.13Å; D434-R438 PolarHBondContact O-NE 2.81Å
435S69.2Low71.7Confident20 Ų2082.4 Ų82.414%0.1442%0.421CS..Hα-helixtrans-77.1-35.4174.886.30000110.7Q432 G433 R438 R439Q432-S435 WeakPolarHBondContact O-CA 3.4Å; Q432-S435 WeakPolarHBondContact O-CB 3.45Å; Q432-S435 PolarHBondContact O-N 2.78Å; Q432-S435 PolarHBondContact O-OG 2.84Å; G433-S435 VanDerWaalsContact C-N 3.28Å; G433-S435 PolarHBondContact O-N 3.14Å; S435-R438 PolarHBondContact O-N 3.16Å; S435-R439 VanDerWaalsContact O-CB 3.27Å; S435-R439 WeakPolarHBondContact O-CB 3.42Å; S435-R439 PolarHBondContact O-N 3.25Å
436L74.8Confident73.6Confident79 Ų7978.8 Ų78.841%0.41440%0.404SS..Hα-helixtrans-64.2-45.4171.8-67.4171.9000112.1F431 Q432 G433 R438 R439 E440F431-L436 HydrophobicContact CB-CD1 4.35Å; F431-L436 HydrophobicContact CB-CD2 4.37Å; F431-L436 HydrophobicContact CB-CG 4.29Å; F431-L436 HydrophobicContact CD1-CD2 3.49Å; F431-L436 VanDerWaalsContact CD1-CD2 3.49Å; F431-L436 HydrophobicContact CD1-CG 4.14Å; F431-L436 HydrophobicContact CE1-CD2 4.04Å; F431-L436 HydrophobicContact CG-CD2 4.09Å; Q432-L436 PolarHBondContact O-N 2.98Å; G433-L436 PolarHBondContact O-N 3.2Å; L436-R438 VanDerWaalsContact C-N 3.32Å; L436-R438 PolarHBondContact O-N 3.07Å; L436-R439 WeakPolarHBondContact O-CB 3.25Å; L436-R439 PolarHBondContact O-N 3.34Å; L436-E440 PolarHBondContact O-N 2.93Å
437L75.9Confident75.5Confident104 Ų10478.4 Ų78.455%0.54540%0.402SS..Hα-helixtrans-64.6-35.7175.7-68176.4000112.4G433 R441G433-L437 PolarHBondContact O-N 3.33Å; L437-R441 WeakPolarHBondContact O-CB 3.1Å; L437-R441 VanDerWaalsContact O-CG 3.26Å; L437-R441 WeakPolarHBondContact O-CG 2.84Å; L437-R441 PolarHBondContact O-N 3.38Å
438R78.3Confident77.2Confident143 Ų14376.9 Ų76.954%0.5439%0.391SS..Hα-helixtrans-68.2-39.3171.5-79.8176.8-85.4-177.7-7.4112.2D434 S435 L436 R441 K442D434-R438 WeakPolarHBondContact O-CB 3.49Å; D434-R438 VanDerWaalsContact O-CG 3.3Å; D434-R438 WeakPolarHBondContact O-CG 3.34Å; D434-R438 PolarHBondContact O-N 2.91Å; D434-R438 VanDerWaalsContact O-N 3.13Å; D434-R438 PolarHBondContact O-NE 2.81Å; S435-R438 PolarHBondContact O-N 3.16Å; L436-R438 VanDerWaalsContact C-N 3.32Å; L436-R438 PolarHBondContact O-N 3.07Å; R438-R441 PolarHBondContact O-N 2.87Å; R438-K442 WeakPolarHBondContact O-CB 3.24Å; R438-K442 WeakPolarHBondContact O-CG 3.33Å; R438-K442 PolarHBondContact O-N 3.12Å
439R84.3Confident78.8Confident24 Ų2477.5 Ų77.59%0.09139%0.394CS..Hα-helixtrans-58.9-52.6176.8-171-176.5-170.2173.12.4111.2F431 S435 L436 K442 V443 Y483 L484 F487 D488F431-R439 VanDerWaalsContact CE1-NH1 3.31Å; S435-R439 VanDerWaalsContact O-CB 3.27Å; S435-R439 WeakPolarHBondContact O-CB 3.42Å; S435-R439 PolarHBondContact O-N 3.25Å; L436-R439 WeakPolarHBondContact O-CB 3.25Å; L436-R439 PolarHBondContact O-N 3.34Å; R439-K442 PolarHBondContact O-N 3.01Å; R439-K442 VanDerWaalsContact O-N 3.14Å; R439-V443 WeakPolarHBondContact O-CG2 3.21Å; R439-V443 PolarHBondContact O-N 2.83Å; R439-Y483 HydrophobicContact CG-CE1 4.23Å; R439-L484 HydrophobicContact CG-CD2 4.29Å; R439-L484 PolarHBondContact NH2-O 2.98Å; R439-F487 HydrophobicContact CB-CD1 4.43Å; R439-F487 HydrophobicContact CB-CE1 3.98Å; R439-F487 HydrophobicContact CB-CE2 4.1Å; R439-F487 HydrophobicContact CB-CZ 3.8Å; R439-F487 VanDerWaalsContact CD-CD1 3.49Å; R439-F487 HydrophobicContact CG-CD1 3.77Å; R439-F487 HydrophobicContact CG-CD2 4.18Å; R439-F487 HydrophobicContact CG-CE1 3.81Å; R439-F487 HydrophobicContact CG-CE2 4.22Å; R439-F487 HydrophobicContact CG-CG 3.95Å; R439-F487 HydrophobicContact CG-CZ 4.04Å; R439-D488 IonicContact CZ-OD1 3.12Å; R439-D488 IonicContact CZ-OD2 3.46Å; R439-D488 IonicContact NH1-OD1 2.78Å; R439-D488 PolarHBondContact NH1-OD1 3.11Å; R439-D488 IonicContact NH1-OD2 2.83Å; R439-D488 IonicContact NH2-OD1 2.71Å; R439-D488 PolarHBondContact NH2-OD1 3.22Å; R439-D488 IonicContact NH2-OD2 3.99Å; R439-D488 PolarHBondContact NH2-OD2 2.96Å
440E86.6Confident80.4Confident85 Ų8576.4 Ų76.440%0.39739%0.39SS..Hα-helixtrans-64.5-42.5179.1-72.1-61.215600112.6L436 K442 V443 A444 R480L436-E440 PolarHBondContact O-N 2.93Å; E440-K442 PolarHBondContact O-N 2.87Å; E440-V443 PolarHBondContact O-N 3.23Å; E440-A444 PolarHBondContact O-N 3.19Å; E440-R480 IonicContact OE1-CZ 3.52Å; E440-R480 IonicContact OE1-NH1 3.23Å; E440-R480 PolarHBondContact OE1-NH1 2.69Å; E440-R480 IonicContact OE1-NH2 2.74Å; E440-R480 PolarHBondContact OE1-NH2 3.38Å; E440-R480 IonicContact OE2-CZ 3.51Å; E440-R480 IonicContact OE2-NH1 3.31Å; E440-R480 PolarHBondContact OE2-NH1 3.19Å; E440-R480 IonicContact OE2-NH2 3.53Å; E440-R480 PolarHBondContact OE2-NH2 3.13Å
441R87.1Confident81.7Confident179 Ų17976.5 Ų76.568%0.67539%0.387SS*.Hα-helixtrans-59.2-34.2173-72.9175.6-174.9-174.54.4112.3L437 R438 Q445L437-R441 WeakPolarHBondContact O-CB 3.1Å; L437-R441 VanDerWaalsContact O-CG 3.26Å; L437-R441 WeakPolarHBondContact O-CG 2.84Å; L437-R441 PolarHBondContact O-N 3.38Å; R438-R441 PolarHBondContact O-N 2.87Å; R441-Q445 WeakPolarHBondContact O-CG 3.26Å; R441-Q445 PolarHBondContact O-N 2.88Å; R441-Q445 VanDerWaalsContact O-N 3.15Å
442K86.6Confident82.7Confident99 Ų9979.1 Ų79.143%0.4340%0.398SS..Hα-helixtrans-77.9-37.9176.5-76.6-76170.8-165.10113.3R438 R439 E440 A444 Q445 V446 Y483R438-K442 WeakPolarHBondContact O-CB 3.24Å; R438-K442 WeakPolarHBondContact O-CG 3.33Å; R438-K442 PolarHBondContact O-N 3.12Å; R439-K442 PolarHBondContact O-N 3.01Å; R439-K442 VanDerWaalsContact O-N 3.14Å; E440-K442 PolarHBondContact O-N 2.87Å; K442-A444 VanDerWaalsContact C-N 3.3Å; K442-A444 PolarHBondContact O-N 2.85Å; K442-Q445 PolarHBondContact O-N 2.88Å; K442-V446 WeakPolarHBondContact O-CG2 3.41Å; K442-V446 PolarHBondContact O-N 3.03Å; K442-Y483 HydrophobicContact CB-CE1 3.84Å; K442-Y483 HydrophobicContact CB-CE2 4.07Å; K442-Y483 VanDerWaalsContact CB-CZ 3.43Å; K442-Y483 WeakPolarHBondContact CB-OH 3.44Å
443V90.6Very high83.7Confident1 Ų176.8 Ų76.81%0.00639%0.387CS..Hα-helixtrans-55.3-48.3169.2171.70000110R439 E440 Q445 V446 Q447 R480 Y483 L484R439-V443 WeakPolarHBondContact O-CG2 3.21Å; R439-V443 PolarHBondContact O-N 2.83Å; E440-V443 PolarHBondContact O-N 3.23Å; V443-Q445 VanDerWaalsContact C-N 3.34Å; V443-Q445 PolarHBondContact O-N 2.94Å; V443-V446 PolarHBondContact O-N 3.03Å; V443-Q447 HydrophobicContact CG1-CG 4.25Å; V443-Q447 WeakPolarHBondContact O-CB 3.4Å; V443-Q447 WeakPolarHBondContact O-CG 3.34Å; V443-Q447 PolarHBondContact O-N 2.91Å; V443-R480 HydrophobicContact CG1-CB 3.97Å; V443-R480 HydrophobicContact CG1-CG 3.8Å; V443-Y483 HydrophobicContact CB-CD1 4.46Å; V443-Y483 HydrophobicContact CG2-CD1 3.44Å; V443-Y483 VanDerWaalsContact CG2-CD1 3.44Å; V443-Y483 HydrophobicContact CG2-CE1 4.04Å; V443-Y483 HydrophobicContact CG2-CG 4.32Å; V443-L484 HydrophobicContact CG2-CD2 3.94Å
444A88.3Confident84.4Confident49 Ų4977 Ų7741%0.40537%0.374SS..Hα-helixtrans-60.6-41177.600000112.4E440 K442 Q447 V448E440-A444 PolarHBondContact O-N 3.19Å; K442-A444 VanDerWaalsContact C-N 3.3Å; K442-A444 PolarHBondContact O-N 2.85Å; A444-Q447 PolarHBondContact O-N 3.17Å; A444-V448 WeakPolarHBondContact O-CB 3.38Å; A444-V448 VanDerWaalsContact O-CG2 3.28Å; A444-V448 WeakPolarHBondContact O-CG2 3.41Å; A444-V448 PolarHBondContact O-N 3.05Å
445Q89.5Confident84.9Confident100 Ų10077.3 Ų77.347%0.46737%0.374SS..Hα-helixtrans-62.4-44.3174.4-75173.85.800112.4R441 K442 V443 V448 L449R441-Q445 WeakPolarHBondContact O-CG 3.26Å; R441-Q445 PolarHBondContact O-N 2.88Å; R441-Q445 VanDerWaalsContact O-N 3.15Å; K442-Q445 PolarHBondContact O-N 2.88Å; V443-Q445 VanDerWaalsContact C-N 3.34Å; V443-Q445 PolarHBondContact O-N 2.94Å; Q445-V448 PolarHBondContact O-N 3.26Å; Q445-L449 WeakPolarHBondContact O-CG 3.42Å; Q445-L449 PolarHBondContact O-N 3.19Å
446V90.4Very high85.5Confident44 Ų4481.7 Ų81.727%0.26739%0.388SS..Hα-helixtrans-65.7-44.4177.5172.20000111.2K442 V443 V448 L449 V450 A479 Y483K442-V446 WeakPolarHBondContact O-CG2 3.41Å; K442-V446 PolarHBondContact O-N 3.03Å; V443-V446 PolarHBondContact O-N 3.03Å; V446-V448 VanDerWaalsContact C-N 3.33Å; V446-V448 PolarHBondContact O-N 3.41Å; V446-L449 PolarHBondContact O-N 3.12Å; V446-V450 HydrophobicContact CG1-CG2 4.39Å; V446-V450 WeakPolarHBondContact O-CG2 3.32Å; V446-V450 PolarHBondContact O-N 2.84Å; V446-A479 HydrophobicContact CG1-CB 4.47Å; V446-Y483 HydrophobicContact CG2-CD2 3.8Å; V446-Y483 HydrophobicContact CG2-CE2 4.37Å; V446-Y483 HydrophobicContact CG2-CG 4.38Å
447Q91.1Very high85.5Confident45 Ų4582.6 Ų82.621%0.2139%0.39CS..Hα-helixtrans-59.7-40.7175.2-79.4-179.2-34.200112.4V443 A444 L451 L476 A479V443-Q447 HydrophobicContact CG1-CG 4.25Å; V443-Q447 WeakPolarHBondContact O-CB 3.4Å; V443-Q447 WeakPolarHBondContact O-CG 3.34Å; V443-Q447 PolarHBondContact O-N 2.91Å; A444-Q447 PolarHBondContact O-N 3.17Å; Q447-L451 VanDerWaalsContact O-CB 3.29Å; Q447-L451 WeakPolarHBondContact O-CB 3.27Å; Q447-L451 PolarHBondContact O-N 2.74Å; Q447-L476 HydrophobicContact CB-CD2 3.77Å; Q447-L476 HydrophobicContact CG-CD2 3.95Å; Q447-L476 PolarHBondContact NE2-O 2.79Å; Q447-A479 HydrophobicContact CG-CB 4.28Å
448V89.8Confident85.3Confident75 Ų7581.5 Ų81.546%0.45538%0.381SS..Hα-helixtrans-66.7-38174.3166.80000112.2A444 Q445 V446 K452A444-V448 WeakPolarHBondContact O-CB 3.38Å; A444-V448 VanDerWaalsContact O-CG2 3.28Å; A444-V448 WeakPolarHBondContact O-CG2 3.41Å; A444-V448 PolarHBondContact O-N 3.05Å; Q445-V448 PolarHBondContact O-N 3.26Å; V446-V448 VanDerWaalsContact C-N 3.33Å; V446-V448 PolarHBondContact O-N 3.41Å; V448-K452 HydrophobicContact CG1-CD 4.25Å; V448-K452 WeakPolarHBondContact O-CB 3.48Å; V448-K452 VanDerWaalsContact O-CG 3.3Å; V448-K452 WeakPolarHBondContact O-CG 3.46Å; V448-K452 PolarHBondContact O-N 3.12Å
449L89.6Confident84.7Confident112 Ų11277.6 Ų77.659%0.58639%0.385SS*.Hα-helixtrans-67.5-46.1176.4-72.7169.4000111.9Q445 V446 L451 K452 E453Q445-L449 WeakPolarHBondContact O-CG 3.42Å; Q445-L449 PolarHBondContact O-N 3.19Å; V446-L449 PolarHBondContact O-N 3.12Å; L449-L451 VanDerWaalsContact C-N 3.31Å; L449-L451 PolarHBondContact O-N 3.46Å; L449-K452 PolarHBondContact O-N 2.83Å; L449-E453 PolarHBondContact O-N 2.78Å
450V90.2Very high84Confident45 Ų4582.4 Ų82.427%0.27341%0.408SS..Hα-helixtrans-61-40.7175.7171.10000111.2V446 E453 Y454 L475 A479V446-V450 HydrophobicContact CG1-CG2 4.39Å; V446-V450 WeakPolarHBondContact O-CG2 3.32Å; V446-V450 PolarHBondContact O-N 2.84Å; V450-E453 PolarHBondContact O-N 2.68Å; V450-Y454 WeakPolarHBondContact O-CB 3.36Å; V450-Y454 PolarHBondContact O-N 2.71Å; V450-L475 HydrophobicContact CG1-CD1 3.65Å; V450-L475 HydrophobicContact CG1-CD2 3.9Å; V450-L475 HydrophobicContact CG1-CG 3.62Å; V450-A479 HydrophobicContact CB-CB 4.35Å; V450-A479 HydrophobicContact CG1-CB 4.38Å; V450-A479 HydrophobicContact CG2-CB 4.02Å
451L87.8Confident82.9Confident57 Ų5782.7 Ų82.730%0.29842%0.416SS..Hα-helixtrans-66.3-41.6175.6-178.455.6000112.5Q447 L449 Y454 L455 L472Q447-L451 VanDerWaalsContact O-CB 3.29Å; Q447-L451 WeakPolarHBondContact O-CB 3.27Å; Q447-L451 PolarHBondContact O-N 2.74Å; L449-L451 VanDerWaalsContact C-N 3.31Å; L449-L451 PolarHBondContact O-N 3.46Å; L451-Y454 PolarHBondContact O-N 3.01Å; L451-L455 HydrophobicContact CD1-CD1 4.09Å; L451-L455 HydrophobicContact CD1-CG 4.19Å; L451-L455 HydrophobicContact CG-CD1 4.04Å; L451-L455 WeakPolarHBondContact O-CB 3.32Å; L451-L455 VanDerWaalsContact O-CG 3.24Å; L451-L455 WeakPolarHBondContact O-CG 3.13Å; L451-L455 PolarHBondContact O-N 2.87Å; L451-L472 HydrophobicContact CD1-CD1 3.66Å
452K86.4Confident81.5Confident138 Ų13880.5 Ų80.560%0.643%0.429SS*.Hα-helixtrans-61.5-43.3175.1-79.1177.5177.4-171.40112.1V448 L449 L455 R456V448-K452 HydrophobicContact CG1-CD 4.25Å; V448-K452 WeakPolarHBondContact O-CB 3.48Å; V448-K452 VanDerWaalsContact O-CG 3.3Å; V448-K452 WeakPolarHBondContact O-CG 3.46Å; V448-K452 PolarHBondContact O-N 3.12Å; L449-K452 PolarHBondContact O-N 2.83Å; K452-L455 PolarHBondContact O-N 2.94Å; K452-R456 WeakPolarHBondContact O-CB 3.38Å; K452-R456 PolarHBondContact O-N 3.15Å
453E85.3Confident79.9Confident74 Ų7479.2 Ų79.235%0.34644%0.436SS..Hα-helixtrans-68.9-41.2179.5179.355.7-162.500112L449 V450 L455 R456 Q457L449-E453 PolarHBondContact O-N 2.78Å; V450-E453 PolarHBondContact O-N 2.68Å; E453-L455 VanDerWaalsContact C-N 3.33Å; E453-L455 PolarHBondContact O-N 3.26Å; E453-R456 WeakPolarHBondContact O-CB 3.09Å; E453-R456 PolarHBondContact O-N 3.24Å; E453-R456 IonicContact OE1-CZ 3.9Å; E453-R456 IonicContact OE1-NE 2.69Å; E453-R456 IonicContact OE1-NH2 2.78Å; E453-R456 PolarHBondContact OE1-NH2 3.32Å; E453-R456 IonicContact OE2-CZ 3.97Å; E453-R456 IonicContact OE2-NE 2.98Å; E453-R456 PolarHBondContact OE2-NE 2.85Å; E453-R456 IonicContact OE2-NH2 3.12Å; E453-Q457 WeakPolarHBondContact O-CG 3.28Å; E453-Q457 PolarHBondContact O-N 2.78Å; E453-Q457 PolarHBondContact OE1-NE2 2.94Å
454Y80.8Confident78.3Confident53 Ų5383.8 Ų83.821%0.20847%0.468CS..Hα-helixtrans-59.9-42172.2-178.2-93.8000112.2V450 L451 K458 V467 L475V450-Y454 WeakPolarHBondContact O-CB 3.36Å; V450-Y454 PolarHBondContact O-N 2.71Å; L451-Y454 PolarHBondContact O-N 3.01Å; Y454-K458 HydrophobicContact CE1-CD 4.28Å; Y454-K458 HydrophobicContact CE1-CG 4.29Å; Y454-K458 WeakPolarHBondContact O-CB 3.48Å; Y454-K458 PolarHBondContact O-N 3.04Å; Y454-K458 WeakPolarHBondContact OH-CE 3.3Å; Y454-V467 HydrophobicContact CE1-CG1 4.06Å; Y454-V467 HydrophobicContact CE1-CG2 4.1Å; Y454-L475 HydrophobicContact CD2-CD2 3.66Å; Y454-L475 HydrophobicContact CE2-CD2 4.29Å; Y454-L475 HydrophobicContact CG-CD2 3.8Å
455L80.3Confident76.8Confident97 Ų9788.2 Ų88.251%0.50850%0.495SS..Hα-helixtrans-68.3-34.7175.3-71.3169.7000112.5L451 K452 E453 K458 G459L451-L455 HydrophobicContact CD1-CD1 4.09Å; L451-L455 HydrophobicContact CD1-CG 4.19Å; L451-L455 HydrophobicContact CG-CD1 4.04Å; L451-L455 WeakPolarHBondContact O-CB 3.32Å; L451-L455 VanDerWaalsContact O-CG 3.24Å; L451-L455 WeakPolarHBondContact O-CG 3.13Å; L451-L455 PolarHBondContact O-N 2.87Å; K452-L455 PolarHBondContact O-N 2.94Å; E453-L455 VanDerWaalsContact C-N 3.33Å; E453-L455 PolarHBondContact O-N 3.26Å; L455-K458 PolarHBondContact O-N 3.04Å; L455-G459 PolarHBondContact O-N 3.06Å
456R82.1Confident75.4Confident113 Ų11387.4 Ų87.443%0.42650%0.5SS..Hα-helixtrans-63.1-51.2173.7-171.4-171.47078.26.4111.1K452 E453 K458 G459 E460K452-R456 WeakPolarHBondContact O-CB 3.38Å; K452-R456 PolarHBondContact O-N 3.15Å; E453-R456 WeakPolarHBondContact O-CB 3.09Å; E453-R456 PolarHBondContact O-N 3.24Å; E453-R456 IonicContact OE1-CZ 3.9Å; E453-R456 IonicContact OE1-NE 2.69Å; E453-R456 IonicContact OE1-NH2 2.78Å; E453-R456 PolarHBondContact OE1-NH2 3.32Å; E453-R456 IonicContact OE2-CZ 3.97Å; E453-R456 IonicContact OE2-NE 2.98Å; E453-R456 PolarHBondContact OE2-NE 2.85Å; E453-R456 IonicContact OE2-NH2 3.12Å; R456-K458 VanDerWaalsContact C-N 3.29Å; R456-K458 PolarHBondContact O-N 2.87Å; R456-G459 WeakPolarHBondContact O-CA 3.45Å; R456-G459 PolarHBondContact O-N 2.98Å; R456-E460 WeakPolarHBondContact CG-OE1 3.35Å; R456-E460 IonicContact CZ-OE1 3.5Å; R456-E460 IonicContact CZ-OE2 2.7Å; R456-E460 IonicContact NH1-OE1 3.76Å; R456-E460 PolarHBondContact NH1-OE1 2.95Å; R456-E460 IonicContact NH1-OE2 2.8Å; R456-E460 PolarHBondContact NH1-OE2 2.85Å; R456-E460 PolarHBondContact O-N 2.84Å
457Q75.1Confident74.2Confident98 Ų9888 Ų8846%0.45850%0.503SS..Hα-helixtrans-61.6-35.6178.5-66.9176.711.900112.3E453 E460 T461E453-Q457 WeakPolarHBondContact O-CG 3.28Å; E453-Q457 PolarHBondContact O-N 2.78Å; E453-Q457 PolarHBondContact OE1-NE2 2.94Å; Q457-E460 PolarHBondContact O-N 2.9Å; Q457-T461 PolarHBondContact O-N 2.93Å; Q457-T461 PolarHBondContact O-OG1 2.71Å
458K71Confident73.4Confident80 Ų8088.9 Ų88.935%0.34851%0.513SS..Hα-helixtrans-74.9-15.7171-78.4-129.8173.9-173.80115Y454 L455 R456 T461Y454-K458 HydrophobicContact CE1-CD 4.28Å; Y454-K458 HydrophobicContact CE1-CG 4.29Å; Y454-K458 WeakPolarHBondContact O-CB 3.48Å; Y454-K458 PolarHBondContact O-N 3.04Å; Y454-K458 WeakPolarHBondContact OH-CE 3.3Å; L455-K458 PolarHBondContact O-N 3.04Å; R456-K458 VanDerWaalsContact C-N 3.29Å; R456-K458 PolarHBondContact O-N 2.87Å; K458-T461 VanDerWaalsContact O-O 3.07Å
459G66.8Low72.7Confident61 Ų6190.8 Ų90.863%0.62953%0.525SS*.Hα-helixtrans-80.8-31.9168.300000112.4L455 R456L455-G459 PolarHBondContact O-N 3.06Å; R456-G459 WeakPolarHBondContact O-CA 3.45Å; R456-G459 PolarHBondContact O-N 2.98Å
460E68.7Low72.3Confident125 Ų12591.5 Ų91.558%0.58453%0.529SS*.Hα-helixtrans-83.4-26.1179.6-73.1162.3-164.600113R456 Q457R456-E460 WeakPolarHBondContact CG-OE1 3.35Å; R456-E460 IonicContact CZ-OE1 3.5Å; R456-E460 IonicContact CZ-OE2 2.7Å; R456-E460 IonicContact NH1-OE1 3.76Å; R456-E460 PolarHBondContact NH1-OE1 2.95Å; R456-E460 IonicContact NH1-OE2 2.8Å; R456-E460 PolarHBondContact NH1-OE2 2.85Å; R456-E460 PolarHBondContact O-N 2.84Å; Q457-E460 PolarHBondContact O-N 2.9Å
461T64.2Low71.7Confident92 Ų9293.4 Ų93.456%0.56454%0.538SS*.SBendtrans-98.7105.7168.246.50000110.1Q457 K458 A463Q457-T461 PolarHBondContact O-N 2.93Å; Q457-T461 PolarHBondContact O-OG1 2.71Å; K458-T461 VanDerWaalsContact O-O 3.07Å; T461-A463 PolarHBondContact O-N 2.91Å
462S57.1Low71.5Confident133 Ų13393.2 Ų93.293%0.9354%0.537SS*.  trans-71.263.4-170.746.30000114.7
463A52.6Low71.4Confident72 Ų7292.7 Ų92.760%0.59554%0.535SS*.  trans-118.5151.9177.200000111.6T461T461-A463 PolarHBondContact O-N 2.91Å
464S56.5Low71.5Confident97 Ų9792 Ų9268%0.67854%0.542SS*.  trans-59.2143.2-167.348.10000115.3S466S464-S466 PolarHBondContact O-N 2.91Å
465C56.9Low71.8Confident142 Ų14291.7 Ų91.796%0.95954%0.543SS*.SBendtrans-72.959.8-177.4-67.10000114.6
466S61.8Low72.3Confident83 Ų8389 Ų8958%0.5853%0.529SS*.  trans-119.9110.6162.658.40000109.7S464S464-S466 PolarHBondContact O-N 2.91Å
467V64.6Low72.6Confident55 Ų5587.4 Ų87.433%0.33353%0.529SS..  trans-100120172.9178.90000108.1Y454 V469 L472Y454-V467 HydrophobicContact CE1-CG1 4.06Å; Y454-V467 HydrophobicContact CE1-CG2 4.1Å; V467-V469 PolarHBondContact O-N 2.57Å; V467-L472 HydrophobicContact CG1-CB 4.11Å
468P75Confident73.3Confident65 Ų6587 Ų8742%0.42253%0.53SS..  trans-60.9128.5173-22.935000110.4N470 D471 L472P468-N470 PolarHBondContact O-N 2.64Å; P468-N470 VanDerWaalsContact O-N 3.13Å; P468-D471 HydrophobicContact CB-CB 4.45Å; P468-D471 WeakPolarHBondContact CD-OD2 3.44Å; P468-D471 VanDerWaalsContact CG-OD2 3.3Å; P468-D471 WeakPolarHBondContact CG-OD2 3.49Å; P468-D471 PolarHBondContact O-N 2.86Å; P468-L472 PolarHBondContact O-N 3.45Å
469V74.4Confident74.1Confident115 Ų11583.8 Ų83.870%0.69752%0.518SS*.Hα-helixtrans-58.8-30-177.4-179.70000111.6V467 K473V467-V469 PolarHBondContact O-N 2.57Å; V469-K473 VanDerWaalsContact O-CB 3.25Å; V469-K473 WeakPolarHBondContact O-CB 3.33Å; V469-K473 PolarHBondContact O-N 3.1Å
470N80.3Confident75.3Confident126 Ų12684.7 Ų84.767%0.67450%0.502SS*.Hα-helixtrans-66-42.3176.7-65.9-21.9000112.6P468 K473 A474P468-N470 PolarHBondContact O-N 2.64Å; P468-N470 VanDerWaalsContact O-N 3.13Å; N470-K473 PolarHBondContact O-N 2.83Å; N470-A474 WeakPolarHBondContact O-CB 3.44Å; N470-A474 PolarHBondContact O-N 2.9Å
471D79.2Confident76.3Confident86 Ų8683.2 Ų83.246%0.4650%0.496SS..Hα-helixtrans-68.8-43.3-178.4-55.2-5.7000110.4P468 K473 A474 L475P468-D471 HydrophobicContact CB-CB 4.45Å; P468-D471 WeakPolarHBondContact CD-OD2 3.44Å; P468-D471 VanDerWaalsContact CG-OD2 3.3Å; P468-D471 WeakPolarHBondContact CG-OD2 3.49Å; P468-D471 PolarHBondContact O-N 2.86Å; D471-K473 VanDerWaalsContact C-N 3.33Å; D471-K473 PolarHBondContact O-N 3.48Å; D471-A474 PolarHBondContact O-N 3.05Å; D471-L475 WeakPolarHBondContact O-CB 3.48Å; D471-L475 PolarHBondContact O-N 3.19Å
472L82.2Confident77.3Confident52 Ų5284 Ų8427%0.27249%0.493SS..Hα-helixtrans-60.2-43.4173.2177.459.3000111.3L451 V467 P468 L475 L476L451-L472 HydrophobicContact CD1-CD1 3.66Å; V467-L472 HydrophobicContact CG1-CB 4.11Å; P468-L472 PolarHBondContact O-N 3.45Å; L472-L475 PolarHBondContact O-N 2.79Å; L472-L476 HydrophobicContact CD1-CD1 3.77Å; L472-L476 HydrophobicContact CD1-CG 4.03Å; L472-L476 HydrophobicContact CG-CD1 3.92Å; L472-L476 WeakPolarHBondContact O-CB 3.21Å; L472-L476 VanDerWaalsContact O-CG 3.23Å; L472-L476 WeakPolarHBondContact O-CG 3.34Å; L472-L476 PolarHBondContact O-N 3.31Å
473K85.6Confident78.8Confident128 Ų12879.2 Ų79.256%0.55745%0.454SS*.Hα-helixtrans-64-41.7176.1-175178.9-179.5-178.20111.9V469 N470 D471 N477V469-K473 VanDerWaalsContact O-CB 3.25Å; V469-K473 WeakPolarHBondContact O-CB 3.33Å; V469-K473 PolarHBondContact O-N 3.1Å; N470-K473 PolarHBondContact O-N 2.83Å; D471-K473 VanDerWaalsContact C-N 3.33Å; D471-K473 PolarHBondContact O-N 3.48Å; K473-N477 VanDerWaalsContact O-CB 3.27Å; K473-N477 WeakPolarHBondContact O-CB 3.29Å; K473-N477 PolarHBondContact O-N 2.88Å
474A86.6Confident80.3Confident60 Ų6077.6 Ų77.650%0.49644%0.436SS..Hα-helixtrans-63.7-45.9176.200000111.7N470 D471 N477 L478N470-A474 WeakPolarHBondContact O-CB 3.44Å; N470-A474 PolarHBondContact O-N 2.9Å; D471-A474 PolarHBondContact O-N 3.05Å; A474-N477 PolarHBondContact O-N 2.78Å; A474-L478 WeakPolarHBondContact O-CB 3.49Å; A474-L478 PolarHBondContact O-N 3Å
475L87.1Confident81.7Confident46 Ų4678.2 Ų78.224%0.24143%0.426CS..Hα-helixtrans-61.1-46.5177.4-178.364.6000112.2V450 Y454 D471 L472 L478 A479V450-L475 HydrophobicContact CG1-CD1 3.65Å; V450-L475 HydrophobicContact CG1-CD2 3.9Å; V450-L475 HydrophobicContact CG1-CG 3.62Å; Y454-L475 HydrophobicContact CD2-CD2 3.66Å; Y454-L475 HydrophobicContact CE2-CD2 4.29Å; Y454-L475 HydrophobicContact CG-CD2 3.8Å; D471-L475 WeakPolarHBondContact O-CB 3.48Å; D471-L475 PolarHBondContact O-N 3.19Å; L472-L475 PolarHBondContact O-N 2.79Å; L475-L478 PolarHBondContact O-N 2.62Å; L475-A479 WeakPolarHBondContact O-CB 3.48Å; L475-A479 PolarHBondContact O-N 2.98Å
476L89.9Confident83.1Confident39 Ų3975.8 Ų75.820%0.20440%0.402CS..Hα-helixtrans-68.5-34.8178.7-69.1172.2000112.5Q447 L472 R480Q447-L476 HydrophobicContact CB-CD2 3.77Å; Q447-L476 HydrophobicContact CG-CD2 3.95Å; Q447-L476 PolarHBondContact NE2-O 2.79Å; L472-L476 HydrophobicContact CD1-CD1 3.77Å; L472-L476 HydrophobicContact CD1-CG 4.03Å; L472-L476 HydrophobicContact CG-CD1 3.92Å; L472-L476 WeakPolarHBondContact O-CB 3.21Å; L472-L476 VanDerWaalsContact O-CG 3.23Å; L472-L476 WeakPolarHBondContact O-CG 3.34Å; L472-L476 PolarHBondContact O-N 3.31Å; L476-R480 WeakPolarHBondContact O-CB 3.34Å; L476-R480 PolarHBondContact O-N 2.88Å
477N88.3Confident84Confident80 Ų8073.2 Ų73.243%0.42838%0.38SS..Hα-helixtrans-67-46.1172.9-77.5-4.5000111.4K473 A474 A479 R480 E481K473-N477 VanDerWaalsContact O-CB 3.27Å; K473-N477 WeakPolarHBondContact O-CB 3.29Å; K473-N477 PolarHBondContact O-N 2.88Å; A474-N477 PolarHBondContact O-N 2.78Å; N477-A479 PolarHBondContact O-N 2.87Å; N477-R480 WeakPolarHBondContact O-CB 3.45Å; N477-R480 PolarHBondContact O-N 2.8Å; N477-R480 VanDerWaalsContact O-N 3.16Å; N477-E481 PolarHBondContact O-N 3.34Å
478L89.9Confident84.7Confident90 Ų9073 Ų7347%0.47138%0.377SS..Hα-helixtrans-61-44.7177.1-178.162.3000111.4A474 L475 R480 E481 Q482A474-L478 WeakPolarHBondContact O-CB 3.49Å; A474-L478 PolarHBondContact O-N 3Å; L475-L478 PolarHBondContact O-N 2.62Å; L478-R480 VanDerWaalsContact C-N 3.29Å; L478-R480 PolarHBondContact O-N 3.44Å; L478-E481 PolarHBondContact O-N 3.27Å; L478-Q482 HydrophobicContact CD1-CG 4.12Å; L478-Q482 HydrophobicContact CG-CG 4.45Å; L478-Q482 VanDerWaalsContact O-CG 3.31Å; L478-Q482 WeakPolarHBondContact O-CG 3.43Å; L478-Q482 PolarHBondContact O-N 2.81Å
479A89.3Confident84.7Confident12 Ų1274.5 Ų74.510%0.09939%0.389CS..Hα-helixtrans-59.6-38.917500000112.4V446 Q447 V450 L475 N477 Y483V446-A479 HydrophobicContact CG1-CB 4.47Å; Q447-A479 HydrophobicContact CG-CB 4.28Å; V450-A479 HydrophobicContact CB-CB 4.35Å; V450-A479 HydrophobicContact CG1-CB 4.38Å; V450-A479 HydrophobicContact CG2-CB 4.02Å; L475-A479 WeakPolarHBondContact O-CB 3.48Å; L475-A479 PolarHBondContact O-N 2.98Å; N477-A479 PolarHBondContact O-N 2.87Å; A479-Y483 PolarHBondContact O-N 3.02Å
480R91.9Very high84.8Confident80 Ų8074.6 Ų74.630%0.30239%0.385SS..Hα-helixtrans-65-54.9172.7177.8168.6-178.695.97.1110.8E440 V443 L476 N477 L478 Q482 Y483 L484E440-R480 IonicContact OE1-CZ 3.52Å; E440-R480 IonicContact OE1-NH1 3.23Å; E440-R480 PolarHBondContact OE1-NH1 2.69Å; E440-R480 IonicContact OE1-NH2 2.74Å; E440-R480 PolarHBondContact OE1-NH2 3.38Å; E440-R480 IonicContact OE2-CZ 3.51Å; E440-R480 IonicContact OE2-NH1 3.31Å; E440-R480 PolarHBondContact OE2-NH1 3.19Å; E440-R480 IonicContact OE2-NH2 3.53Å; E440-R480 PolarHBondContact OE2-NH2 3.13Å; V443-R480 HydrophobicContact CG1-CB 3.97Å; V443-R480 HydrophobicContact CG1-CG 3.8Å; L476-R480 WeakPolarHBondContact O-CB 3.34Å; L476-R480 PolarHBondContact O-N 2.88Å; N477-R480 WeakPolarHBondContact O-CB 3.45Å; N477-R480 PolarHBondContact O-N 2.8Å; N477-R480 VanDerWaalsContact O-N 3.16Å; L478-R480 VanDerWaalsContact C-N 3.29Å; L478-R480 PolarHBondContact O-N 3.44Å; R480-Q482 VanDerWaalsContact C-N 3.35Å; R480-Q482 PolarHBondContact O-N 3.45Å; R480-Y483 PolarHBondContact O-N 2.94Å; R480-L484 HydrophobicContact CG-CD1 3.68Å; R480-L484 HydrophobicContact CG-CG 4.03Å; R480-L484 WeakPolarHBondContact O-CB 3.38Å; R480-L484 VanDerWaalsContact O-CG 3.23Å; R480-L484 WeakPolarHBondContact O-CG 3.3Å; R480-L484 PolarHBondContact O-N 2.98Å
481E88.5Confident84.3Confident95 Ų9569.8 Ų69.844%0.44436%0.359SS..Hα-helixtrans-54.8-45.3-179.4-80.1-172.5-137.700113.7N477 L478 L484 K485N477-E481 PolarHBondContact O-N 3.34Å; L478-E481 PolarHBondContact O-N 3.27Å; E481-L484 PolarHBondContact O-N 2.99Å; E481-K485 WeakPolarHBondContact O-CB 3.48Å; E481-K485 WeakPolarHBondContact O-CD 3.44Å; E481-K485 VanDerWaalsContact O-CG 3.26Å; E481-K485 WeakPolarHBondContact O-CG 3.4Å; E481-K485 PolarHBondContact O-N 3.01Å; E481-K485 IonicContact OE2-NZ 2.68Å; E481-K485 PolarHBondContact OE2-NZ 3.44Å
482Q86.3Confident83.6Confident109 Ų10968.3 Ų68.351%0.50935%0.354SS..Hα-helixtrans-66-42.4-179.9-64.3-63.2-700111.4L478 R480 M486L478-Q482 HydrophobicContact CD1-CG 4.12Å; L478-Q482 HydrophobicContact CG-CG 4.45Å; L478-Q482 VanDerWaalsContact O-CG 3.31Å; L478-Q482 WeakPolarHBondContact O-CG 3.43Å; L478-Q482 PolarHBondContact O-N 2.81Å; R480-Q482 VanDerWaalsContact C-N 3.35Å; R480-Q482 PolarHBondContact O-N 3.45Å; Q482-M486 WeakPolarHBondContact O-CB 3.36Å; Q482-M486 PolarHBondContact O-N 2.8Å
483Y88Confident82.6Confident31 Ų3168.3 Ų68.312%0.12236%0.356CS..Hα-helixtrans-65.1-40.5173.7-176.2-91.7000112.3R439 K442 V443 V446 A479 R480 M486 F487R439-Y483 HydrophobicContact CG-CE1 4.23Å; K442-Y483 HydrophobicContact CB-CE1 3.84Å; K442-Y483 HydrophobicContact CB-CE2 4.07Å; K442-Y483 VanDerWaalsContact CB-CZ 3.43Å; K442-Y483 WeakPolarHBondContact CB-OH 3.44Å; V443-Y483 HydrophobicContact CB-CD1 4.46Å; V443-Y483 HydrophobicContact CG2-CD1 3.44Å; V443-Y483 VanDerWaalsContact CG2-CD1 3.44Å; V443-Y483 HydrophobicContact CG2-CE1 4.04Å; V443-Y483 HydrophobicContact CG2-CG 4.32Å; V446-Y483 HydrophobicContact CG2-CD2 3.8Å; V446-Y483 HydrophobicContact CG2-CE2 4.37Å; V446-Y483 HydrophobicContact CG2-CG 4.38Å; A479-Y483 PolarHBondContact O-N 3.02Å; R480-Y483 PolarHBondContact O-N 2.94Å; Y483-M486 HydrophobicContact CD2-CE 3.62Å; Y483-M486 HydrophobicContact CE2-CE 3.42Å; Y483-M486 VanDerWaalsContact CE2-CE 3.42Å; Y483-M486 PolarHBondContact O-N 2.67Å; Y483-F487 HydrophobicContact CE1-CB 4.13Å; Y483-F487 HydrophobicContact CE1-CD2 4.06Å; Y483-F487 HydrophobicContact CE1-CG 4.36Å; Y483-F487 VanDerWaalsContact O-CB 3.28Å; Y483-F487 WeakPolarHBondContact O-CB 3.45Å; Y483-F487 PolarHBondContact O-N 2.79Å; Y483-F487 WeakPolarHBondContact OH-CD2 3.35Å
484L85Confident81.1Confident38 Ų3863.1 Ų63.120%0.19934%0.337CS..Hα-helixtrans-62.7-47.3178.7-68.3179.2000111R439 V443 R480 E481 F487 D488R439-L484 HydrophobicContact CG-CD2 4.29Å; R439-L484 PolarHBondContact NH2-O 2.98Å; V443-L484 HydrophobicContact CG2-CD2 3.94Å; R480-L484 HydrophobicContact CG-CD1 3.68Å; R480-L484 HydrophobicContact CG-CG 4.03Å; R480-L484 WeakPolarHBondContact O-CB 3.38Å; R480-L484 VanDerWaalsContact O-CG 3.23Å; R480-L484 WeakPolarHBondContact O-CG 3.3Å; R480-L484 PolarHBondContact O-N 2.98Å; E481-L484 PolarHBondContact O-N 2.99Å; L484-F487 PolarHBondContact O-N 3.35Å; L484-D488 PolarHBondContact O-N 3.43Å
485K85.3Confident79.3Confident111 Ų11164.8 Ų64.848%0.48334%0.335SS..Hα-helixtrans-59.2-46.1176.2-71.8163.6-170.4162.40111.9E481 D488 S489E481-K485 WeakPolarHBondContact O-CB 3.48Å; E481-K485 WeakPolarHBondContact O-CD 3.44Å; E481-K485 VanDerWaalsContact O-CG 3.26Å; E481-K485 WeakPolarHBondContact O-CG 3.4Å; E481-K485 PolarHBondContact O-N 3.01Å; E481-K485 IonicContact OE2-NZ 2.68Å; E481-K485 PolarHBondContact OE2-NZ 3.44Å; K485-D488 PolarHBondContact O-N 2.8Å; K485-S489 PolarHBondContact O-N 3.02Å; K485-S489 VanDerWaalsContact O-N 3.14Å
486M86.5Confident77.8Confident91 Ų9169.1 Ų69.145%0.44835%0.352SS..Hα-helixtrans-60.2-46.3174.9-175.4-162.774.600111.5Q482 Y483 S489 I490Q482-M486 WeakPolarHBondContact O-CB 3.36Å; Q482-M486 PolarHBondContact O-N 2.8Å; Y483-M486 HydrophobicContact CD2-CE 3.62Å; Y483-M486 HydrophobicContact CE2-CE 3.42Å; Y483-M486 VanDerWaalsContact CE2-CE 3.42Å; Y483-M486 PolarHBondContact O-N 2.67Å; M486-S489 PolarHBondContact O-N 2.82Å; M486-S489 PolarHBondContact O-OG 2.76Å; M486-I490 HydrophobicContact CE-CD1 4.41Å; M486-I490 HydrophobicContact CG-CD1 4.02Å; M486-I490 WeakPolarHBondContact O-CD1 3.49Å; M486-I490 WeakPolarHBondContact O-CG1 3.37Å; M486-I490 PolarHBondContact O-N 3.38Å
487F80.9Confident75.9Confident29 Ų2970.3 Ų70.313%0.12736%0.362CS..Hα-helixtrans-64.8-42-179.1-172.3-89.1000112.5F431 R439 Y483 L484 S489 I490 L491F431-F487 HydrophobicContact CE1-CE1 4.29Å; R439-F487 HydrophobicContact CB-CD1 4.43Å; R439-F487 HydrophobicContact CB-CE1 3.98Å; R439-F487 HydrophobicContact CB-CE2 4.1Å; R439-F487 HydrophobicContact CB-CZ 3.8Å; R439-F487 VanDerWaalsContact CD-CD1 3.49Å; R439-F487 HydrophobicContact CG-CD1 3.77Å; R439-F487 HydrophobicContact CG-CD2 4.18Å; R439-F487 HydrophobicContact CG-CE1 3.81Å; R439-F487 HydrophobicContact CG-CE2 4.22Å; R439-F487 HydrophobicContact CG-CG 3.95Å; R439-F487 HydrophobicContact CG-CZ 4.04Å; Y483-F487 HydrophobicContact CE1-CB 4.13Å; Y483-F487 HydrophobicContact CE1-CD2 4.06Å; Y483-F487 HydrophobicContact CE1-CG 4.36Å; Y483-F487 VanDerWaalsContact O-CB 3.28Å; Y483-F487 WeakPolarHBondContact O-CB 3.45Å; Y483-F487 PolarHBondContact O-N 2.79Å; Y483-F487 WeakPolarHBondContact OH-CD2 3.35Å; L484-F487 PolarHBondContact O-N 3.35Å; F487-S489 VanDerWaalsContact C-N 3.27Å; F487-S489 PolarHBondContact O-N 2.96Å; F487-I490 PolarHBondContact O-N 2.96Å; F487-I490 VanDerWaalsContact O-N 3.09Å; F487-L491 HydrophobicContact CD1-CD1 3.85Å; F487-L491 HydrophobicContact CE1-CD1 3.33Å; F487-L491 HydrophobicContact CZ-CD1 3.85Å; F487-L491 PolarHBondContact O-N 3.07Å
488D77.8Confident74Confident50 Ų5072.7 Ų72.727%0.26737%0.374SS..Hα-helixtrans-66.3-30.3177.4-67.8-33.4000111.9L429 F431 R439 L484 K485 I490L429-D488 HydrophobicContact CD1-CB 3.92Å; F431-D488 WeakPolarHBondContact CZ-OD1 3.4Å; R439-D488 IonicContact CZ-OD1 3.12Å; R439-D488 IonicContact CZ-OD2 3.46Å; R439-D488 IonicContact NH1-OD1 2.78Å; R439-D488 PolarHBondContact NH1-OD1 3.11Å; R439-D488 IonicContact NH1-OD2 2.83Å; R439-D488 IonicContact NH2-OD1 2.71Å; R439-D488 PolarHBondContact NH2-OD1 3.22Å; R439-D488 IonicContact NH2-OD2 3.99Å; R439-D488 PolarHBondContact NH2-OD2 2.96Å; L484-D488 PolarHBondContact O-N 3.43Å; K485-D488 PolarHBondContact O-N 2.8Å; D488-I490 PolarHBondContact O-N 2.78Å
489S76.3Confident71.8Confident97 Ų9773.6 Ų73.668%0.67838%0.384SS*.THydrogen-bonded Turntrans-73.2-10.1172.975.80000114.9K485 M486 F487K485-S489 PolarHBondContact O-N 3.02Å; K485-S489 VanDerWaalsContact O-N 3.14Å; M486-S489 PolarHBondContact O-N 2.82Å; M486-S489 PolarHBondContact O-OG 2.76Å; F487-S489 VanDerWaalsContact C-N 3.27Å; F487-S489 PolarHBondContact O-N 2.96Å
490I75.3Confident69.4Low116 Ų11679 Ų7960%0.59541%0.411SS*.THydrogen-bonded Turntrans-102-15.2-179.9-67.3164.6000111.3M486 F487 D488M486-I490 HydrophobicContact CE-CD1 4.41Å; M486-I490 HydrophobicContact CG-CD1 4.02Å; M486-I490 WeakPolarHBondContact O-CD1 3.49Å; M486-I490 WeakPolarHBondContact O-CG1 3.37Å; M486-I490 PolarHBondContact O-N 3.38Å; F487-I490 PolarHBondContact O-N 2.96Å; F487-I490 VanDerWaalsContact O-N 3.09Å; D488-I490 PolarHBondContact O-N 2.78Å
491L70.4Confident66.9Low25 Ų2583.9 Ų83.913%0.13144%0.438CS..SBendtrans-73.1142.3-176.2-123.670.8000112.4L429 C430 F431 F487 T493L429-L491 HydrophobicContact CB-CD2 3.94Å; L429-L491 HydrophobicContact CD2-CB 4.15Å; C430-L491 WeakPolarHBondContact O-CD2 3.36Å; F431-L491 HydrophobicContact CD1-CD2 3.55Å; F431-L491 HydrophobicContact CD2-CD2 4.2Å; F431-L491 HydrophobicContact CE1-CD2 3.34Å; F431-L491 HydrophobicContact CE2-CD2 4.04Å; F431-L491 HydrophobicContact CG-CD2 3.98Å; F431-L491 HydrophobicContact CZ-CD2 3.61Å; F487-L491 HydrophobicContact CD1-CD1 3.85Å; F487-L491 HydrophobicContact CE1-CD1 3.33Å; F487-L491 HydrophobicContact CZ-CD1 3.85Å; F487-L491 PolarHBondContact O-N 3.07Å; L491-T493 PolarHBondContact O-N 3.02Å
492P64.1Low64.4Low55 Ų5586.7 Ų86.736%0.35745%0.45SS..PPolyproline II helixtrans-65.7125.4168.925.6-33.9000112.1C430 K496C430-P492 PolarHBondContact N-O 3.27Å; P492-K496 HydrophobicContact CB-CB 4.19Å
493T60.6Low62.2Low52 Ų5287 Ų8732%0.31946%0.462SS..BIsolated β-bridgetrans-46.1137.7155.4-43.30000110.7H426 L491 E495 K496H426-T493 WeakPolarHBondContact O-CG2 3.39Å; L491-T493 PolarHBondContact O-N 3.02Å; T493-E495 HydrophobicContact CG2-CB 4.34Å; T493-E495 PolarHBondContact O-N 3.13Å; T493-K496 PolarHBondContact O-N 3.38Å
494A54.9Low59.5Low20 Ų2090.1 Ų90.117%0.16549%0.494CS..THydrogen-bonded Turntrans-51.4-33.7-174.600000114.6L428 K496 C497 L498L428-A494 WeakPolarHBondContact O-CB 3.21Å; L428-A494 PolarHBondContact O-N 3.43Å; A494-K496 PolarHBondContact O-N 2.84Å; A494-C497 PolarHBondContact O-N 2.88Å; A494-L498 PolarHBondContact O-N 2.76Å
495E49.4Very low56.9Low95 Ų9596.8 Ų96.844%0.44453%0.525SS..Hα-helixtrans-50.2-37.1174-168.9176.4-149.300113.9H426 T493 C497 T499H426-E495 IonicContact CD2-OE1 3.99Å; T493-E495 HydrophobicContact CG2-CB 4.34Å; T493-E495 PolarHBondContact O-N 3.13Å; E495-C497 VanDerWaalsContact C-N 3.35Å; E495-T499 PolarHBondContact O-OG1 3.06Å
496K54.5Low54.4Low137 Ų137103.4 Ų103.460%0.59655%0.546SS*.Hα-helixtrans-78.3-16.1178.3-66.9-177.7178.7176.50113.9P492 T493 A494P492-K496 HydrophobicContact CB-CB 4.19Å; T493-K496 PolarHBondContact O-N 3.38Å; A494-K496 PolarHBondContact O-N 2.84Å
497C50.1Low51.6Low63 Ų63105.1 Ų105.143%0.42656%0.562SS.*Hα-helixtrans-89.3-25.7175.9-66.20000112.2A494 E495A494-C497 PolarHBondContact O-N 2.88Å; E495-C497 VanDerWaalsContact C-N 3.35Å
498L49.6Very low49.4Very low130 Ų130112 Ų11268%0.68160%0.595SS**Hα-helixtrans-83.5-18178.6-65.3171.6000113.7A494A494-L498 PolarHBondContact O-N 2.76Å
499T43Very low47.2Very low109 Ų109117.5 Ų117.567%0.66962%0.623SS**SBendtrans-98-8.3-17539.70000114.4E495 E501E495-T499 PolarHBondContact O-OG1 3.06Å; T499-E501 PolarHBondContact O-N 3.01Å
500N40.3Very low45.2Very low126 Ų126121.2 Ų121.267%0.67463%0.63SS**  trans-10052.4-169.2-158.332.3000113.3Q502N500-Q502 PolarHBondContact O-N 2.69Å
501E39.2Very low43.2Very low183 Ų183122.1 Ų122.186%0.85564%0.641SS**  trans-73.792.8165.9-72.6-147.8143.800110.4T499T499-E501 PolarHBondContact O-N 3.01Å
502Q34.8Very low41.6Very low153 Ų153126.8 Ų126.872%0.71567%0.67SS**  trans-126.4139.7158.4-79-64.9-57.200108.7N500 A504N500-Q502 PolarHBondContact O-N 2.69Å; Q502-A504 PolarHBondContact O-N 3.38Å
503P40.1Very low40.5Very low116 Ų116129.5 Ų129.575%0.75369%0.691SS**  trans-73.893.8-172.229.9-34.7000110.8E505P503-E505 PolarHBondContact O-N 3.33Å
504A30.7Very low39.6Very low97 Ų97132.7 Ų132.780%0.80270%0.702SS**  trans-59.2123.4172.800000110.1Q502Q502-A504 PolarHBondContact O-N 3.38Å
505E30.9Very low39.3Very low178 Ų178137.7 Ų137.783%0.83272%0.722SS**  trans-58.4151.2177.2-64.1-176.6118.900111.1P503 T507P503-E505 PolarHBondContact O-N 3.33Å; E505-T507 PolarHBondContact O-N 3.35Å
506R33Very low39.6Very low249 Ų249137.4 Ų137.494%0.9473%0.728SS**  trans-68.474.4-177-67.7179.7177.7169.8-1.2112.1E508R506-E508 PolarHBondContact O-N 3.45Å
507T29.1Very low39.6Very low128 Ų128134.4 Ų134.479%0.78573%0.725SS**  trans-66.7117.8160.9-57.70000107.5E505 L509E505-T507 PolarHBondContact O-N 3.35Å; T507-L509 PolarHBondContact O-N 3.09Å; T507-L509 VanDerWaalsContact O-N 3.09Å
508E33.4Very low39.8Very low174 Ų174136.6 Ų136.681%0.81373%0.732SS**  trans-60.7114.3-177.8-62.5-177.9142.600110.2R506 Q510R506-E508 PolarHBondContact O-N 3.45Å; E508-Q510 VanDerWaalsContact C-N 3.32Å; E508-Q510 PolarHBondContact O-N 3.28Å
509L31.1Very low40.2Very low165 Ų165136.7 Ų136.786%0.86472%0.724SS**  trans-65.195.7168.4-88.6164.8000108.1T507 T511T507-L509 PolarHBondContact O-N 3.09Å; T507-L509 VanDerWaalsContact O-N 3.09Å; L509-T511 VanDerWaalsContact C-N 3.34Å; L509-T511 PolarHBondContact O-N 2.9Å
510Q35.2Very low40.7Very low175 Ų175135.4 Ų135.482%0.81872%0.717SS**  trans-59.399.4168.3-72.7-171.4-5.300108.6E508 V512E508-Q510 VanDerWaalsContact C-N 3.32Å; E508-Q510 PolarHBondContact O-N 3.28Å; Q510-V512 PolarHBondContact O-N 3.05Å
511T33.1Very low41.9Very low134 Ų134134.3 Ų134.382%0.82271%0.708SS**  trans-62100.6171.813.60000108.1L509 S513L509-T511 VanDerWaalsContact C-N 3.34Å; L509-T511 PolarHBondContact O-N 2.9Å; T511-S513 PolarHBondContact O-N 3.06Å
512V36.6Very low42.8Very low123 Ų123130.8 Ų130.875%0.74569%0.687SS**  trans-59.8103.7170.7178.20000107Q510 Q514Q510-V512 PolarHBondContact O-N 3.05Å; V512-Q514 HydrophobicContact CG1-CG 4.31Å; V512-Q514 PolarHBondContact O-N 3.26Å
513S40.5Very low44.2Very low113 Ų113127.3 Ų127.379%0.7968%0.676SS**  trans-72.677.2-176.1-168.10000110.2T511 Q515T511-S513 PolarHBondContact O-N 3.06Å; S513-Q515 PolarHBondContact O-N 2.93Å
514Q43.2Very low45.1Very low118 Ų118125.8 Ų125.855%0.55167%0.665SS**  trans-66.6127.3166.3-64.8-172.8-2.600107.8V512V512-Q514 HydrophobicContact CG1-CG 4.31Å; V512-Q514 PolarHBondContact O-N 3.26Å
515Q48.5Very low46.5Very low126 Ų126126.5 Ų126.559%0.58965%0.654SS**  trans-62.8148-179.3-76-162.5-11.500109.8S513 S517 D518S513-Q515 PolarHBondContact O-N 2.93Å; Q515-S517 PolarHBondContact O-N 3.23Å; Q515-D518 PolarHBondContact O-N 2.99Å
516P54.3Low47.7Very low89 Ų89121.8 Ų121.858%0.57863%0.632SS**THydrogen-bonded Turntrans-59.73.4174.5-25.435.3000115.4R522P516-R522 WeakPolarHBondContact O-CD 3.48Å; P516-R522 PolarHBondContact O-NH1 3.17Å
517S54.8Low49.1Very low74 Ų74114.3 Ų114.352%0.51761%0.611SS.*THydrogen-bonded Turntrans-85.6-32.7173.2-540000112.7Q515Q515-S517 PolarHBondContact O-N 3.23Å
518D54.4Low50.8Low109 Ų109112 Ų11258%0.58359%0.592SS**SBendtrans-89.2-6.3-168.2-55.8-45000113.5Q515 P520Q515-D518 PolarHBondContact O-N 2.99Å; D518-P520 WeakPolarHBondContact O-CD 3.3Å
519W58.5Low52Low132 Ų132107 Ų10750%0.557%0.57SS.*  trans-67.5119.6-176.7-7655.4000111.1E521 R522 T523W519-E521 PolarHBondContact O-N 3.04Å; W519-R522 HydrophobicContact CB-CB 4.18Å; W519-R522 WeakPolarHBondContact O-CB 3.5Å; W519-R522 PolarHBondContact O-N 2.87Å; W519-T523 PolarHBondContact O-N 2.8Å
520P52.8Low53.2Low82 Ų82102.5 Ų102.553%0.53255%0.546SS..Hα-helixtrans-60.8-30176.923.7-31.9000112D518 R522 T523 V524D518-P520 WeakPolarHBondContact O-CD 3.3Å; P520-R522 VanDerWaalsContact C-N 3.3Å; P520-R522 PolarHBondContact O-N 3.39Å; P520-T523 WeakPolarHBondContact O-CB 3.37Å; P520-T523 PolarHBondContact O-N 2.65Å; P520-T523 VanDerWaalsContact O-N 3.12Å; P520-V524 WeakPolarHBondContact O-CG2 3.48Å; P520-V524 PolarHBondContact O-N 3.43Å
521E65.4Low54.1Low102 Ų10298.7 Ų98.748%0.47753%0.531SS..Hα-helixtrans-58.8-40.2173.4-59.670.1-153.500111.2W519 T523 V524 L525W519-E521 PolarHBondContact O-N 3.04Å; E521-T523 VanDerWaalsContact C-N 3.34Å; E521-V524 PolarHBondContact O-N 2.87Å; E521-L525 WeakPolarHBondContact O-CB 3.36Å; E521-L525 VanDerWaalsContact O-CG 3.31Å; E521-L525 WeakPolarHBondContact O-CG 3.42Å; E521-L525 PolarHBondContact O-N 3.04Å
522R59Low54.9Low109 Ų10996.8 Ų96.841%0.41151%0.513SS..Hα-helixtrans-68.1-36.3176.3-175.8175.3-176.2162.33.3111.7P516 W519 P520 L525 H526P516-R522 WeakPolarHBondContact O-CD 3.48Å; P516-R522 PolarHBondContact O-NH1 3.17Å; W519-R522 HydrophobicContact CB-CB 4.18Å; W519-R522 WeakPolarHBondContact O-CB 3.5Å; W519-R522 PolarHBondContact O-N 2.87Å; P520-R522 VanDerWaalsContact C-N 3.3Å; P520-R522 PolarHBondContact O-N 3.39Å; R522-L525 PolarHBondContact O-N 2.79Å; R522-H526 PolarHBondContact NE-NE2 3.44Å; R522-H526 PolarHBondContact O-CD2 3.29Å; R522-H526 PolarHBondContact O-N 2.74Å
523T64.4Low55.6Low81 Ų8195.5 Ų95.550%0.49749%0.494SS..Hα-helixtrans-66.1-39.4173.5-61.50000111.1W519 P520 E521 N527W519-T523 PolarHBondContact O-N 2.8Å; P520-T523 WeakPolarHBondContact O-CB 3.37Å; P520-T523 PolarHBondContact O-N 2.65Å; P520-T523 VanDerWaalsContact O-N 3.12Å; E521-T523 VanDerWaalsContact C-N 3.34Å; T523-N527 WeakPolarHBondContact O-CB 3.47Å; T523-N527 PolarHBondContact O-N 2.81Å; T523-N527 PolarHBondContact O-ND2 3.12Å; T523-N527 VanDerWaalsContact O-ND2 3.16Å
524V58.6Low56Low84 Ų8495.2 Ų95.251%0.50948%0.479SS..Hα-helixtrans-63.8-46.5172.1171.20000111.2P520 E521 N527 I528P520-V524 WeakPolarHBondContact O-CG2 3.48Å; P520-V524 PolarHBondContact O-N 3.43Å; E521-V524 PolarHBondContact O-N 2.87Å; V524-N527 CarbonylContact O-C 3.59Å; V524-N527 WeakPolarHBondContact O-CB 3.19Å; V524-N527 PolarHBondContact O-N 3.25Å; V524-N527 VanDerWaalsContact O-N 3.12Å; V524-I528 HydrophobicContact CG1-CD1 3.79Å; V524-I528 HydrophobicContact CG1-CG1 4.41Å; V524-I528 WeakPolarHBondContact O-CG1 3.48Å; V524-I528 PolarHBondContact O-N 2.99Å
525L59.4Low56.4Low112 Ų11295 Ų9559%0.58647%0.473SS*.Hα-helixtrans-61.4-46.3177.9-73.9170.1000112E521 R522 N527 I528 E529E521-L525 WeakPolarHBondContact O-CB 3.36Å; E521-L525 VanDerWaalsContact O-CG 3.31Å; E521-L525 WeakPolarHBondContact O-CG 3.42Å; E521-L525 PolarHBondContact O-N 3.04Å; R522-L525 PolarHBondContact O-N 2.79Å; L525-N527 VanDerWaalsContact C-N 3.28Å; L525-N527 PolarHBondContact O-N 2.84Å; L525-I528 PolarHBondContact O-N 2.89Å; L525-E529 VanDerWaalsContact O-CB 3.3Å; L525-E529 WeakPolarHBondContact O-CB 3.26Å; L525-E529 PolarHBondContact O-N 3.37Å
526H56.8Low56.2Low79 Ų7994.7 Ų94.737%0.36647%0.472SS..Hα-helixtrans-65.8-28.3174.1-76.3-48000112.8R522 E529 N530R522-H526 PolarHBondContact NE-NE2 3.44Å; R522-H526 PolarHBondContact O-CD2 3.29Å; R522-H526 PolarHBondContact O-N 2.74Å; H526-E529 IonicContact CE1-OE2 3.69Å; H526-E529 IonicContact ND1-OE2 3.1Å; H526-E529 PolarHBondContact ND1-OE2 3.31Å; H526-N530 VanDerWaalsContact O-CB 3.24Å; H526-N530 WeakPolarHBondContact O-CB 3.4Å; H526-N530 VanDerWaalsContact O-CG 3.27Å; H526-N530 PolarHBondContact O-N 2.75Å; H526-N530 PolarHBondContact O-ND2 3.26Å
527N62.7Low55.8Low91 Ų9199.1 Ų99.149%0.48748%0.477SS..Hα-helixtrans-72.2-40171.6-83-37.5000112.5T523 V524 L525 N530 L531T523-N527 WeakPolarHBondContact O-CB 3.47Å; T523-N527 PolarHBondContact O-N 2.81Å; T523-N527 PolarHBondContact O-ND2 3.12Å; T523-N527 VanDerWaalsContact O-ND2 3.16Å; V524-N527 CarbonylContact O-C 3.59Å; V524-N527 WeakPolarHBondContact O-CB 3.19Å; V524-N527 PolarHBondContact O-N 3.25Å; V524-N527 VanDerWaalsContact O-N 3.12Å; L525-N527 VanDerWaalsContact C-N 3.28Å; L525-N527 PolarHBondContact O-N 2.84Å; N527-N530 PolarHBondContact O-N 3.38Å; N527-L531 WeakPolarHBondContact O-CB 3.48Å; N527-L531 PolarHBondContact O-N 3.09Å
528I63.4Low55.3Low79 Ų79102.9 Ų102.941%0.40548%0.484SS..Hα-helixtrans-61.9-46.1171.7-68.4165.7000109.8V524 L525 L531 Q532V524-I528 HydrophobicContact CG1-CD1 3.79Å; V524-I528 HydrophobicContact CG1-CG1 4.41Å; V524-I528 WeakPolarHBondContact O-CG1 3.48Å; V524-I528 PolarHBondContact O-N 2.99Å; L525-I528 PolarHBondContact O-N 2.89Å; I528-L531 CarbonylContact O-C 3.59Å; I528-L531 WeakPolarHBondContact O-CB 3.22Å; I528-L531 PolarHBondContact O-N 3.11Å; I528-Q532 HydrophobicContact CG2-CG 4.5Å; I528-Q532 WeakPolarHBondContact O-CG 3.48Å; I528-Q532 PolarHBondContact O-N 3.27Å
529E60.4Low54.7Low71 Ų71103.2 Ų103.233%0.33248%0.477SS..Hα-helixtrans-62-44.3177.2-160.1-143.9149.200111.5L525 H526 L531 Q532 R533L525-E529 VanDerWaalsContact O-CB 3.3Å; L525-E529 WeakPolarHBondContact O-CB 3.26Å; L525-E529 PolarHBondContact O-N 3.37Å; H526-E529 IonicContact CE1-OE2 3.69Å; H526-E529 IonicContact ND1-OE2 3.1Å; H526-E529 PolarHBondContact ND1-OE2 3.31Å; E529-L531 PolarHBondContact O-N 3.22Å; E529-Q532 PolarHBondContact O-N 2.67Å; E529-R533 WeakPolarHBondContact O-CB 3.33Å; E529-R533 WeakPolarHBondContact O-CG 3.26Å; E529-R533 PolarHBondContact O-N 3.14Å; E529-R533 IonicContact OE1-CZ 2.79Å; E529-R533 IonicContact OE1-NE 2.83Å; E529-R533 PolarHBondContact OE1-NE 2.86Å; E529-R533 IonicContact OE1-NH2 3.64Å; E529-R533 PolarHBondContact OE1-NH2 3.12Å; E529-R533 IonicContact OE2-CZ 3.53Å; E529-R533 IonicContact OE2-NH2 3.84Å; E529-R533 PolarHBondContact OE2-NH2 3.31Å
530N55Low53.7Low70 Ų70103.4 Ų103.437%0.37449%0.487SS..Hα-helixtrans-64.1-37.5173.4-82-50.5000112.4H526 N527 R533 K534H526-N530 VanDerWaalsContact O-CB 3.24Å; H526-N530 WeakPolarHBondContact O-CB 3.4Å; H526-N530 VanDerWaalsContact O-CG 3.27Å; H526-N530 PolarHBondContact O-N 2.75Å; H526-N530 PolarHBondContact O-ND2 3.26Å; N527-N530 PolarHBondContact O-N 3.38Å; N530-R533 PolarHBondContact O-N 2.66Å; N530-R533 PolarHBondContact OD1-NH1 3.47Å; N530-K534 WeakPolarHBondContact O-CB 3.5Å; N530-K534 WeakPolarHBondContact O-CG 3.33Å; N530-K534 PolarHBondContact O-N 2.89Å
531L54.5Low52.8Low94 Ų94101.6 Ų101.649%0.49248%0.484SS..Hα-helixtrans-65.1-43.6172.8-90.2163.3000111.7N527 I528 E529 K534 R535N527-L531 WeakPolarHBondContact O-CB 3.48Å; N527-L531 PolarHBondContact O-N 3.09Å; I528-L531 CarbonylContact O-C 3.59Å; I528-L531 WeakPolarHBondContact O-CB 3.22Å; I528-L531 PolarHBondContact O-N 3.11Å; E529-L531 PolarHBondContact O-N 3.22Å; L531-K534 PolarHBondContact O-N 2.87Å; L531-R535 WeakPolarHBondContact O-CG 3.28Å; L531-R535 PolarHBondContact O-N 2.86Å
532Q48.8Very low51.6Low95 Ų95103.7 Ų103.744%0.44450%0.497SS..Hα-helixtrans-62.2-45173.6-72.9179.80.300110.9I528 E529 K534 R535 Q536I528-Q532 HydrophobicContact CG2-CG 4.5Å; I528-Q532 WeakPolarHBondContact O-CG 3.48Å; I528-Q532 PolarHBondContact O-N 3.27Å; E529-Q532 PolarHBondContact O-N 2.67Å; Q532-K534 PolarHBondContact O-N 2.88Å; Q532-R535 PolarHBondContact O-N 2.82Å; Q532-R535 VanDerWaalsContact O-N 3.16Å; Q532-Q536 WeakPolarHBondContact O-CB 3.43Å; Q532-Q536 WeakPolarHBondContact O-CG 3.43Å; Q532-Q536 PolarHBondContact O-N 2.82Å
533R51.3Low50.6Low95 Ų95104 Ų10436%0.35851%0.506SS..Hα-helixtrans-61.3-38.5173.4-71.5-165.3-113.2125.5-14.7112.2E529 N530 R537E529-R533 WeakPolarHBondContact O-CB 3.33Å; E529-R533 WeakPolarHBondContact O-CG 3.26Å; E529-R533 PolarHBondContact O-N 3.14Å; E529-R533 IonicContact OE1-CZ 2.79Å; E529-R533 IonicContact OE1-NE 2.83Å; E529-R533 PolarHBondContact OE1-NE 2.86Å; E529-R533 IonicContact OE1-NH2 3.64Å; E529-R533 PolarHBondContact OE1-NH2 3.12Å; E529-R533 IonicContact OE2-CZ 3.53Å; E529-R533 IonicContact OE2-NH2 3.84Å; E529-R533 PolarHBondContact OE2-NH2 3.31Å; N530-R533 PolarHBondContact O-N 2.66Å; N530-R533 PolarHBondContact OD1-NH1 3.47Å; R533-R537 WeakPolarHBondContact O-CB 3.36Å; R533-R537 VanDerWaalsContact O-CG 3.27Å; R533-R537 WeakPolarHBondContact O-CG 3.35Å; R533-R537 PolarHBondContact O-N 3.25Å
534K50.8Low48.9Very low108 Ų108102.4 Ų102.447%0.4751%0.506SS..Hα-helixtrans-65.6-41171.7-77.3-161.7-178.4-157.40112.2N530 L531 Q532 R537 K538 D556N530-K534 WeakPolarHBondContact O-CB 3.5Å; N530-K534 WeakPolarHBondContact O-CG 3.33Å; N530-K534 PolarHBondContact O-N 2.89Å; L531-K534 PolarHBondContact O-N 2.87Å; Q532-K534 PolarHBondContact O-N 2.88Å; K534-R537 PolarHBondContact O-N 3.06Å; K534-K538 PolarHBondContact O-N 2.78Å; K534-D556 WeakPolarHBondContact CE-OD1 3.31Å; K534-D556 IonicContact NZ-OD1 3.55Å; K534-D556 PolarHBondContact NZ-OD1 2.95Å; K534-D556 IonicContact NZ-OD2 3.42Å
535R50.6Low47.6Very low112 Ų112105.7 Ų105.742%0.42353%0.529SS..Hα-helixtrans-67.7-40.9176.3-70.6178.1-170.9-1727.2112.1S368 L531 Q532 K538 R539S368-R535 PolarHBondContact O-NH1 2.81Å; L531-R535 WeakPolarHBondContact O-CG 3.28Å; L531-R535 PolarHBondContact O-N 2.86Å; Q532-R535 PolarHBondContact O-N 2.82Å; Q532-R535 VanDerWaalsContact O-N 3.16Å; R535-K538 WeakPolarHBondContact O-CB 3.24Å; R535-K538 PolarHBondContact O-N 2.81Å; R535-K538 VanDerWaalsContact O-N 3.14Å; R535-R539 PolarHBondContact O-N 2.82Å
536Q44.7Very low46.2Very low120 Ų120102.9 Ų102.956%0.56153%0.527SS*.Hα-helixtrans-63.9-40.8174.3-74.2174.2-5.700112Q532 K538 R539 L540Q532-Q536 WeakPolarHBondContact O-CB 3.43Å; Q532-Q536 WeakPolarHBondContact O-CG 3.43Å; Q532-Q536 PolarHBondContact O-N 2.82Å; Q536-K538 PolarHBondContact O-N 2.83Å; Q536-R539 PolarHBondContact O-N 2.81Å; Q536-R539 VanDerWaalsContact O-N 3.13Å; Q536-L540 PolarHBondContact O-N 3.09Å
537R45.2Very low45.1Very low182 Ų182104 Ų10469%0.68754%0.544SS*.Hα-helixtrans-60.5-31.2171.9-75173.1-176.6-177.32.7112.8R533 K534R533-R537 WeakPolarHBondContact O-CB 3.36Å; R533-R537 VanDerWaalsContact O-CG 3.27Å; R533-R537 WeakPolarHBondContact O-CG 3.35Å; R533-R537 PolarHBondContact O-N 3.25Å; K534-R537 PolarHBondContact O-N 3.06Å
538K44.7Very low43.7Very low154 Ų154104.2 Ų104.267%0.6755%0.549SS*.Hα-helixtrans-72.1-40.7170.3-72.5-170.2174.6-171.70113.1K534 R535 Q536 L540 G541K534-K538 PolarHBondContact O-N 2.78Å; R535-K538 WeakPolarHBondContact O-CB 3.24Å; R535-K538 PolarHBondContact O-N 2.81Å; R535-K538 VanDerWaalsContact O-N 3.14Å; Q536-K538 PolarHBondContact O-N 2.83Å; K538-L540 VanDerWaalsContact C-N 3.31Å; K538-L540 PolarHBondContact O-N 2.87Å; K538-G541 PolarHBondContact O-N 2.83Å
539R40.9Very low42.3Very low115 Ų115106.4 Ų106.443%0.43456%0.558SS.*Hα-helixtrans-57.3-42.5173.6-89.1-176.4171.2154.2-1.6111.7G366 R535 Q536 G541 L542G366-R539 PolarHBondContact O-NH1 3.46Å; G366-R539 PolarHBondContact O-NH2 3.45Å; R535-R539 PolarHBondContact O-N 2.82Å; Q536-R539 PolarHBondContact O-N 2.81Å; Q536-R539 VanDerWaalsContact O-N 3.13Å; R539-G541 VanDerWaalsContact C-N 3.27Å; R539-G541 PolarHBondContact O-N 2.74Å; R539-L542 PolarHBondContact O-N 3.12Å
540L38.8Very low41.1Very low136 Ų136107.5 Ų107.571%0.71257%0.573SS**Hα-helixtrans-69.2-19-175.5-153.771.6000114.5Q536 K538 L542Q536-L540 PolarHBondContact O-N 3.09Å; K538-L540 VanDerWaalsContact C-N 3.31Å; K538-L540 PolarHBondContact O-N 2.87Å; L540-L542 VanDerWaalsContact C-N 3.27Å; L540-L542 PolarHBondContact O-N 2.85Å
541G34.3Very low40.3Very low45 Ų45107.7 Ų107.746%0.46457%0.573SS.*THydrogen-bonded Turntrans-75.7-6.8179.100000115.3K538 R539K538-G541 PolarHBondContact O-N 2.83Å; R539-G541 VanDerWaalsContact C-N 3.27Å; R539-G541 PolarHBondContact O-N 2.74Å
542L40.2Very low39.6Very low146 Ų146106.9 Ų106.976%0.76457%0.569SS**SBendtrans-97.6-21.1-179.7-70.3166.6000113.4R539 L540 G544R539-L542 PolarHBondContact O-N 3.12Å; L540-L542 VanDerWaalsContact C-N 3.27Å; L540-L542 PolarHBondContact O-N 2.85Å; L542-G544 PolarHBondContact O-N 2.99Å
543L36.3Very low39Very low115 Ų115104.4 Ų104.460%0.60257%0.57SS**  trans-95.772.2-173.6-70.9178000113E363E363-L543 WeakPolarHBondContact OE1-CD1 3.42Å
544G28.8Very low38Very low48 Ų48104.4 Ų104.450%0.49558%0.582SS.*  trans-158.1127.5172.500000113.6L542 G546L542-G544 PolarHBondContact O-N 2.99Å; G544-G546 PolarHBondContact O-N 3.27Å
545P32.7Very low37.2Very low152 Ų152106.7 Ų106.799%0.98759%0.592SS**SBendtrans-74.271.7173.931.9-35000110.7
546G29.6Very low36.3Very low53 Ų53107.2 Ų107.255%0.54660%0.603SS.*SBendtrans167.352.9-17300000113.3G544 T548G544-G546 PolarHBondContact O-N 3.27Å; G546-T548 PolarHBondContact O-N 3.29Å; G546-T548 PolarHBondContact O-OG1 3.42Å
547S33.2Very low35.6Very low103 Ų103105.3 Ų105.372%0.7260%0.603SS**  trans-57.6104.6-178.3-174.10000111.7
548T34.1Very low35.1Very low96 Ų96105.1 Ų105.159%0.58961%0.61SS**  trans-131.3-11.1176.345.80000112.7G546G546-T548 PolarHBondContact O-N 3.29Å; G546-T548 PolarHBondContact O-OG1 3.42Å
549E33.8Very low34.8Very low125 Ų125109.8 Ų109.858%0.58462%0.623SS**SBendtrans-85.7-18174.2-69.4-164.3122.300113.5L551 L552E549-L551 PolarHBondContact O-N 3.09Å; E549-L552 PolarHBondContact O-N 2.85Å
550S34.3Very low34.3Very low94 Ų94106.5 Ų106.566%0.65763%0.625SS**THydrogen-bonded Turntrans-675.6178.2-168.50000115.2
551L39.4Very low34.2Very low73 Ų73105.4 Ų105.438%0.38263%0.629SS.*THydrogen-bonded Turntrans-107.11.7174.3-56.8-175.8000112.8E549 S590E549-L551 PolarHBondContact O-N 3.09Å; L551-S590 VanDerWaalsContact CD2-CB 3.47Å; L551-S590 WeakPolarHBondContact CD2-OG 3.36Å
552L38.3Very low34.5Very low77 Ų77108.6 Ų108.640%0.40364%0.644SS.*SBendtrans-118.2135.6176.3-62.1177.3000109.3E549 L587E549-L552 PolarHBondContact O-N 2.85Å; L552-L587 HydrophobicContact CD2-CD2 3.73Å
553G36.2Very low34.6Very low44 Ų44104.2 Ų104.245%0.45463%0.629SS.*  trans-64.8177.7171.600000112.4K555G553-K555 PolarHBondContact O-N 3.02Å
554P31.9Very low35Very low94 Ų94105.7 Ų105.761%0.6164%0.637SS**  trans-51.5112.8-179.3-26.335.2000112D556P554-D556 PolarHBondContact O-N 3.27Å
555K33.1Very low36Very low157 Ų157108.4 Ų108.468%0.68364%0.639SS**  trans-78.168.3-176.6-165.6172.9-176.7170.30111.4G553 S557G553-K555 PolarHBondContact O-N 3.02Å; K555-S557 PolarHBondContact O-N 3.38Å
556D32.5Very low37.2Very low122 Ų122105.7 Ų105.765%0.65262%0.616SS**  trans-77.162.8170.4-95.8-51.6000111K534 P554K534-D556 WeakPolarHBondContact CE-OD1 3.31Å; K534-D556 IonicContact NZ-OD1 3.55Å; K534-D556 PolarHBondContact NZ-OD1 2.95Å; K534-D556 IonicContact NZ-OD2 3.42Å; P554-D556 PolarHBondContact O-N 3.27Å
557S29.4Very low38.8Very low80 Ų80106 Ų10656%0.55961%0.614SS**SBendtrans-132.4139.5159.175.50000108.3K555K555-S557 PolarHBondContact O-N 3.38Å
558Q35Very low40.2Very low179 Ų179108.9 Ų108.984%0.83661%0.613SS**  trans-59.7151.7175.6-67.1-171.6-5.500110.7G560Q558-G560 PolarHBondContact O-N 2.75Å
559R38.6Very low41.8Very low252 Ų252107.4 Ų107.495%0.95160%0.6SS**  trans-76.767.3156.9-169.4-172.7-68.1-168.2-0.9108.2
560G29.3Very low43.2Very low46 Ų46105 Ų10547%0.47459%0.591SS.*  trans-63.1172.7157.400000109.9Q558Q558-G560 PolarHBondContact O-N 2.75Å
561S37.1Very low44.9Very low113 Ų113106.3 Ų106.379%0.7959%0.589SS**  trans-52.6156.9165.637.70000111.1A563S561-A563 PolarHBondContact O-N 3.27Å
562S40.9Very low46.5Very low112 Ų112108.8 Ų108.878%0.78360%0.597SS**  trans-58.2104.4164.747.50000108.7L564S562-L564 PolarHBondContact O-N 3.23Å; S562-L564 VanDerWaalsContact O-N 3.14Å
563A41.1Very low48Very low54 Ų54110.8 Ų110.845%0.44660%0.604SS.*  trans-60.2118177.500000108.8S561 L565S561-A563 PolarHBondContact O-N 3.27Å; A563-L565 PolarHBondContact O-N 2.72Å; A563-L565 VanDerWaalsContact O-N 3.14Å
564L45.7Very low49.6Very low146 Ų146112.7 Ų112.776%0.76460%0.6SS**  trans-69.8105.5164.3-67.3170.5000105.4S562 D566S562-L564 PolarHBondContact O-N 3.23Å; S562-L564 VanDerWaalsContact O-N 3.14Å; L564-D566 PolarHBondContact O-N 3.27Å
565L49.5Very low51.7Low104 Ų104111 Ų11155%0.54559%0.588SS.*  trans-71.772.6-173.8-73169.7000111.4A563A563-L565 PolarHBondContact O-N 2.72Å; A563-L565 VanDerWaalsContact O-N 3.14Å
566D57.8Low53.5Low96 Ų96109.2 Ų109.251%0.51360%0.595SS.*  trans-55.1138.5158.5177.315.1000108.7L564 K568 E569 L570L564-D566 PolarHBondContact O-N 3.27Å; D566-K568 PolarHBondContact O-N 3.02Å; D566-K568 VanDerWaalsContact O-N 3.15Å; D566-K568 PolarHBondContact OD1-N 3.37Å; D566-K568 WeakPolarHBondContact OD2-CB 3.45Å; D566-E569 WeakPolarHBondContact O-CA 3.45Å; D566-E569 PolarHBondContact O-N 3.11Å; D566-L570 PolarHBondContact O-N 3.16Å
567A63.3Low55.3Low59 Ų59109.7 Ų109.749%0.48860%0.598SS.*Hα-helixtrans-55.5-33.6177.600000111.4E569 L570 L571A567-E569 VanDerWaalsContact C-N 3.28Å; A567-E569 PolarHBondContact O-N 3.44Å; A567-L570 PolarHBondContact O-N 3.25Å; A567-L571 WeakPolarHBondContact O-CB 2.95Å; A567-L571 WeakPolarHBondContact O-CD1 3.49Å; A567-L571 VanDerWaalsContact O-CG 3.22Å; A567-L571 WeakPolarHBondContact O-CG 3.42Å; A567-L571 PolarHBondContact O-N 2.86Å
568K63.8Low56.9Low164 Ų164108.3 Ų108.371%0.71360%0.596SS**Hα-helixtrans-70.8-18.3176.2-161.4176.6-178.6177.80114D566D566-K568 PolarHBondContact O-N 3.02Å; D566-K568 VanDerWaalsContact O-N 3.15Å; D566-K568 PolarHBondContact OD1-N 3.37Å; D566-K568 WeakPolarHBondContact OD2-CB 3.45Å
569E66.2Low58.3Low65 Ų65105.3 Ų105.330%0.30459%0.585SS.*Hα-helixtrans-89.4-43.6170.4-178.2135-84.500111.4D566 A567 L571 K572D566-E569 WeakPolarHBondContact O-CA 3.45Å; D566-E569 PolarHBondContact O-N 3.11Å; A567-E569 VanDerWaalsContact C-N 3.28Å; A567-E569 PolarHBondContact O-N 3.44Å; E569-L571 VanDerWaalsContact C-N 3.27Å; E569-L571 PolarHBondContact O-N 3.42Å; E569-K572 HydrophobicContact CG-CD 4.36Å; E569-K572 VanDerWaalsContact O-CB 3.27Å; E569-K572 WeakPolarHBondContact O-CB 3.48Å; E569-K572 WeakPolarHBondContact O-CG 3.48Å; E569-K572 PolarHBondContact O-N 2.96Å; E569-K572 IonicContact OE1-NZ 2.71Å; E569-K572 PolarHBondContact OE1-NZ 2.71Å
570L63.8Low59.8Low75 Ų7595.9 Ų95.939%0.39356%0.557SS.*Hα-helixtrans-56.8-42.2175.9-169.6151.4000111.5D566 A567 K572 H573 F574D566-L570 PolarHBondContact O-N 3.16Å; A567-L570 PolarHBondContact O-N 3.25Å; L570-K572 PolarHBondContact O-N 3.16Å; L570-K572 VanDerWaalsContact O-N 3.15Å; L570-H573 PolarHBondContact O-N 3.34Å; L570-H573 VanDerWaalsContact O-N 3.07Å; L570-F574 HydrophobicContact CD2-CD2 4.07Å; L570-F574 HydrophobicContact CD2-CE2 3.79Å; L570-F574 HydrophobicContact CG-CE2 4.47Å; L570-F574 WeakPolarHBondContact O-CD2 3.36Å
571L69.1Low61.6Low120 Ų12098 Ų9863%0.62856%0.561SS**G310 helixtrans-64.7-10.8176-73.1169.3000114.9A567 E569 H573 F574A567-L571 WeakPolarHBondContact O-CB 2.95Å; A567-L571 WeakPolarHBondContact O-CD1 3.49Å; A567-L571 VanDerWaalsContact O-CG 3.22Å; A567-L571 WeakPolarHBondContact O-CG 3.42Å; A567-L571 PolarHBondContact O-N 2.86Å; E569-L571 VanDerWaalsContact C-N 3.27Å; E569-L571 PolarHBondContact O-N 3.42Å; L571-H573 VanDerWaalsContact C-N 3.27Å; L571-F574 VanDerWaalsContact O-O 3.13Å
572K74.4Confident62.9Low126 Ų12694.9 Ų94.955%0.54855%0.546SS..G310 helixtrans-73.3-22.7171.3-57.3171-172168.20112.3E569 L570 T581E569-K572 HydrophobicContact CG-CD 4.36Å; E569-K572 VanDerWaalsContact O-CB 3.27Å; E569-K572 WeakPolarHBondContact O-CB 3.48Å; E569-K572 WeakPolarHBondContact O-CG 3.48Å; E569-K572 PolarHBondContact O-N 2.96Å; E569-K572 IonicContact OE1-NZ 2.71Å; E569-K572 PolarHBondContact OE1-NZ 2.71Å; L570-K572 PolarHBondContact O-N 3.16Å; L570-K572 VanDerWaalsContact O-N 3.15Å; K572-T581 PolarHBondContact O-OG1 2.72Å
573H68.4Low63.4Low118 Ų11898.5 Ų98.555%0.54655%0.551SS.*G310 helixtrans-91.61.3-176.2-62.4-68.8000113.6L570 L571 P580 T581L570-H573 PolarHBondContact O-N 3.34Å; L570-H573 VanDerWaalsContact O-N 3.07Å; L571-H573 VanDerWaalsContact C-N 3.27Å; H573-P580 WeakPolarHBondContact O-CA 3.31Å; H573-T581 PolarHBondContact O-N 3.25Å; H573-T581 PolarHBondContact O-OG1 2.57Å
574F71.6Confident63.9Low84 Ų84102.4 Ų102.437%0.36856%0.563SS.*BIsolated β-bridgetrans-129.6154.9175-59.8-90.1000110.8L570 L571 L579 P580 T581L570-F574 HydrophobicContact CD2-CD2 4.07Å; L570-F574 HydrophobicContact CD2-CE2 3.79Å; L570-F574 HydrophobicContact CG-CE2 4.47Å; L570-F574 WeakPolarHBondContact O-CD2 3.36Å; L571-F574 VanDerWaalsContact O-O 3.13Å; F574-L579 CarbonylContact C-O 3.52Å; F574-L579 VanDerWaalsContact CA-O 3.24Å; F574-L579 WeakPolarHBondContact CA-O 3.4Å; F574-P580 HydrophobicContact CD1-CB 4.32Å; F574-P580 HydrophobicContact CE1-CB 4.3Å; F574-T581 VanDerWaalsContact C-OG1 3.28Å; F574-T581 WeakPolarHBondContact CA-OG1 3.46Å; F574-T581 PolarHBondContact N-OG1 3.45Å; F574-T581 VanDerWaalsContact N-OG1 3.17Å
575T74.4Confident63.8Low59 Ų59102.6 Ų102.636%0.36256%0.56SS.*  trans-75.8170.2167.565.90000110.6D577 G578 L579T575-D577 PolarHBondContact O-N 2.88Å; T575-D577 PolarHBondContact OG1-N 3.12Å; T575-G578 PolarHBondContact O-N 3.32Å; T575-G578 VanDerWaalsContact O-N 3.09Å; T575-L579 PolarHBondContact N-O 3.19Å; T575-L579 PolarHBondContact OG1-N 3.43Å; T575-L579 PolarHBondContact OG1-O 3.28Å
576S71.4Confident63.6Low120 Ų120103.5 Ų103.584%0.83957%0.572SS**THydrogen-bonded Turntrans-50.8-28.3170.446.50000113.6G578S576-G578 VanDerWaalsContact C-N 3.34Å
577D71Confident62.8Low132 Ų132104.2 Ų104.271%0.70658%0.576SS**THydrogen-bonded Turntrans-96.37.6-171.2-38.7-28.6000111.5T575 L579T575-D577 PolarHBondContact O-N 2.88Å; T575-D577 PolarHBondContact OG1-N 3.12Å; D577-L579 PolarHBondContact O-N 3.39Å
578G62.7Low61.7Low51 Ų51104.4 Ų104.453%0.52658%0.577SS.*SBendtrans80.85.6176.800000115.5T575 S576T575-G578 PolarHBondContact O-N 3.32Å; T575-G578 VanDerWaalsContact O-N 3.09Å; S576-G578 VanDerWaalsContact C-N 3.34Å
579L64.6Low60.7Low116 Ų116100.6 Ų100.661%0.60756%0.564SS**  trans-85.5142.9176.5-63.9177000110.9F574 T575 D577F574-L579 CarbonylContact C-O 3.52Å; F574-L579 VanDerWaalsContact CA-O 3.24Å; F574-L579 WeakPolarHBondContact CA-O 3.4Å; T575-L579 PolarHBondContact N-O 3.19Å; T575-L579 PolarHBondContact OG1-N 3.43Å; T575-L579 PolarHBondContact OG1-O 3.28Å; D577-L579 PolarHBondContact O-N 3.39Å
580P70.5Confident59.3Low53 Ų53101.6 Ų101.634%0.34458%0.578SS.*BIsolated β-bridgetrans-68.4138.5-178.428.8-35.8000112.1H573 F574 G582 L584H573-P580 WeakPolarHBondContact O-CA 3.31Å; F574-P580 HydrophobicContact CD1-CB 4.32Å; F574-P580 HydrophobicContact CE1-CB 4.3Å; P580-G582 PolarHBondContact O-N 2.81Å; P580-L584 HydrophobicContact CB-CD1 3.71Å; P580-L584 HydrophobicContact CB-CD2 4.37Å; P580-L584 HydrophobicContact CB-CG 3.86Å; P580-L584 HydrophobicContact CG-CD1 3.66Å; P580-L584 HydrophobicContact CG-CG 3.86Å
581T66.6Low58.3Low91 Ų91105 Ų10556%0.55859%0.586SS**SBendtrans-76.513.5-175.4-32.20000114K572 H573 F574K572-T581 PolarHBondContact O-OG1 2.72Å; H573-T581 PolarHBondContact O-N 3.25Å; H573-T581 PolarHBondContact O-OG1 2.57Å; F574-T581 VanDerWaalsContact C-OG1 3.28Å; F574-T581 WeakPolarHBondContact CA-OG1 3.46Å; F574-T581 PolarHBondContact N-OG1 3.45Å; F574-T581 VanDerWaalsContact N-OG1 3.17Å
582G64.6Low56.9Low47 Ų47101.9 Ų101.949%0.48558%0.582SS.*SBendtrans-160.4163.3-178.100000113.3P580 L584P580-G582 PolarHBondContact O-N 2.81Å; G582-L584 PolarHBondContact O-N 2.9Å
583E51.5Low55.1Low189 Ų189104 Ų10488%0.88360%0.599SS**  trans-65.496.9-177.3-66.7-169.7163.600112.3Q585E583-Q585 PolarHBondContact O-N 2.98Å
584L50.6Low53.8Low135 Ų135105.2 Ų105.271%0.70761%0.61SS**  trans-76.6109.7172.6-60-168.4000110.7P580 G582P580-L584 HydrophobicContact CB-CD1 3.71Å; P580-L584 HydrophobicContact CB-CD2 4.37Å; P580-L584 HydrophobicContact CB-CG 3.86Å; P580-L584 HydrophobicContact CG-CD1 3.66Å; P580-L584 HydrophobicContact CG-CG 3.86Å; G582-L584 PolarHBondContact O-N 2.9Å
585Q44.7Very low52.2Low150 Ų150109 Ų10970%0.70163%0.63SS**PPolyproline II helixtrans-78134.3167.1-66.4-171.6-2.900110.5E583 L587E583-Q585 PolarHBondContact O-N 2.98Å; Q585-L587 PolarHBondContact O-N 2.79Å
586P45.4Very low51.2Low123 Ų123109.5 Ų109.580%0.79963%0.628SS**PPolyproline II helixtrans-58.4136.7172-2434.1000111.7A588P586-A588 PolarHBondContact O-N 2.77Å
587L41.2Very low50.1Low112 Ų112111.5 Ų111.559%0.58662%0.624SS**PPolyproline II helixtrans-62.7121.3174.5-75.5170.3000110.3L552 Q585 I589 L646L552-L587 HydrophobicContact CD2-CD2 3.73Å; Q585-L587 PolarHBondContact O-N 2.79Å; L587-I589 VanDerWaalsContact C-N 3.25Å; L587-I589 PolarHBondContact O-N 3.15Å; L587-L646 HydrophobicContact CD1-CD1 4.24Å
588A40.1Very low49.5Very low63 Ų63110.1 Ų110.152%0.52162%0.616SS.*  trans-73.174.7179.700000111.6P586 S590P586-A588 PolarHBondContact O-N 2.77Å; A588-S590 PolarHBondContact O-N 2.86Å
589I42Very low49.5Very low84 Ų84109.7 Ų109.743%0.43161%0.605SS.*  trans-64.2101.8169.9-55174.8000107.7L587 R591 L642L587-I589 VanDerWaalsContact C-N 3.25Å; L587-I589 PolarHBondContact O-N 3.15Å; I589-R591 HydrophobicContact CG2-CG 4.43Å; I589-R591 PolarHBondContact O-N 2.89Å; I589-L642 HydrophobicContact CD1-CD2 3.84Å; I589-L642 HydrophobicContact CG1-CD2 4.07Å; I589-L642 HydrophobicContact CG2-CD2 4.26Å
590S36.5Very low49Very low85 Ų85109 Ų10959%0.59461%0.608SS**  trans-65.984.9173.2-59.40000110.8L551 A588 G592L551-S590 VanDerWaalsContact CD2-CB 3.47Å; L551-S590 WeakPolarHBondContact CD2-OG 3.36Å; A588-S590 PolarHBondContact O-N 2.86Å; S590-G592 PolarHBondContact O-N 3.19Å; S590-G592 VanDerWaalsContact O-N 3.12Å
591R42.8Very low48.4Very low148 Ų148114.2 Ų114.256%0.55863%0.633SS**  trans-62.8106.7161.9-64.6171.3177.7-164.3-2.5106.4I589I589-R591 HydrophobicContact CG2-CG 4.43Å; I589-R591 PolarHBondContact O-N 2.89Å
592G39Very low48.6Very low53 Ų53111.5 Ų111.555%0.54661%0.614SS.*  trans-59.9173.4172.900000111.7S590 N594S590-G592 PolarHBondContact O-N 3.19Å; S590-G592 VanDerWaalsContact O-N 3.12Å; G592-N594 CarbonylContact O-C 3.57Å; G592-N594 WeakPolarHBondContact O-CA 3.3Å; G592-N594 PolarHBondContact O-N 3.46Å
593N37.3Very low49.1Very low171 Ų171111.2 Ų111.291%0.91461%0.605SS**SBendtrans-36.8-13.2-161.4-59.415.6000120.6M595N593-M595 PolarHBondContact O-N 3.23Å
594N40.8Very low50.2Low144 Ų144105.2 Ų105.277%0.7758%0.583SS**  trans-71.969.6162.5-60.1-26.5000110.5G592 F596G592-N594 CarbonylContact O-C 3.57Å; G592-N594 WeakPolarHBondContact O-CA 3.3Å; G592-N594 PolarHBondContact O-N 3.46Å; N594-F596 PolarHBondContact O-N 3.1Å
595M39.4Very low51.4Low162 Ų162108.6 Ų108.680%0.79859%0.586SS**  trans-60.2119.4170-176175.371.300109.1N593 Q597N593-M595 PolarHBondContact O-N 3.23Å; M595-Q597 PolarHBondContact O-N 3.27Å; M595-Q597 VanDerWaalsContact O-N 3.08Å
596F51.6Low53Low70 Ų70104.1 Ų104.131%0.30757%0.569SS.*  trans-68.7107.1177.3-75.3-101.9000109.6N594 L598N594-F596 PolarHBondContact O-N 3.1Å; F596-L598 PolarHBondContact O-N 3.19Å; F596-L598 VanDerWaalsContact O-N 3.11Å
597Q49.6Very low54.6Low163 Ų16398.7 Ų98.776%0.76253%0.533SS*.  trans-67.5103.8152.1-76.9-178.4-40.300107.1M595M595-Q597 PolarHBondContact O-N 3.27Å; M595-Q597 VanDerWaalsContact O-N 3.08Å
598L58.1Low56.3Low102 Ų10298 Ų9853%0.53454%0.538SS..PPolyproline II helixtrans-57.6135159.3-70.1170.4000107.3F596 P600F596-L598 PolarHBondContact O-N 3.19Å; F596-L598 VanDerWaalsContact O-N 3.11Å; L598-P600 WeakPolarHBondContact O-CD 3.25Å
599S61.7Low58.3Low42 Ų42105.5 Ų105.529%0.29455%0.552SS.*PPolyproline II helixtrans-68.9119.8173.7-49.30000107.6H619S599-H619 PolarHBondContact N-O 3.02Å; S599-H619 PolarHBondContact OG-N 2.91Å
600P54.5Low60.2Low103 Ų103104.6 Ų104.667%0.66955%0.547SS*.THydrogen-bonded Turntrans-61.2156.7179.225.4-33.4000111.1L598 L602L598-P600 WeakPolarHBondContact O-CD 3.25Å; P600-L602 PolarHBondContact O-N 3.05Å
601D59.5Low62.5Low162 Ų162104.5 Ų104.587%0.86655%0.545SS*.THydrogen-bonded Turntrans61.712.5169.9-45.6-40.6000117
602L69.3Low64.2Low33 Ų33103.8 Ų103.817%0.17355%0.546CS..  trans-83.8134.6172.3-65.2-172000113P600 T606 I607 M610 A618 Y620P600-L602 PolarHBondContact O-N 3.05Å; L602-T606 HydrophobicContact CD2-CG2 4.27Å; L602-I607 HydrophobicContact CB-CD1 4.18Å; L602-I607 HydrophobicContact CB-CG1 4.26Å; L602-I607 HydrophobicContact CD1-CD1 4.42Å; L602-I607 HydrophobicContact CD1-CG1 4.16Å; L602-M610 HydrophobicContact CD2-CE 3.86Å; L602-M610 HydrophobicContact CD2-SD 4.3Å; L602-A618 HydrophobicContact CD1-CB 3.64Å; L602-Y620 HydrophobicContact CB-CD2 4.43Å; L602-Y620 WeakPolarHBondContact O-CD2 3.39Å; L602-Y620 VanDerWaalsContact O-CE2 3.27Å; L602-Y620 WeakPolarHBondContact O-CE2 3.29Å
603S76.3Confident66Low42 Ų42105.6 Ų105.629%0.29455%0.55SS.*  trans-112.3160.1167.385.20000111.2R605 T606 I607S603-R605 PolarHBondContact O-N 2.9Å; S603-R605 PolarHBondContact OG-N 3.36Å; S603-T606 PolarHBondContact N-OG1 2.81Å; S603-T606 WeakPolarHBondContact O-CA 3.49Å; S603-T606 WeakPolarHBondContact O-CB 3.4Å; S603-T606 PolarHBondContact O-N 2.88Å; S603-T606 PolarHBondContact OG-N 2.99Å; S603-T606 VanDerWaalsContact OG-N 3.1Å; S603-T606 PolarHBondContact OG-OG1 2.96Å; S603-I607 WeakPolarHBondContact O-CG1 2.83Å; S603-I607 PolarHBondContact O-N 3.2Å
604P73.4Confident67.9Low63 Ų63100.7 Ų100.741%0.40953%0.526SS..Hα-helixtrans-56.1-35.1174.2-25.334.9000113.1T606 I607 S608 Y620 I623P604-T606 VanDerWaalsContact C-N 3.33Å; P604-I607 PolarHBondContact O-N 2.86Å; P604-S608 PolarHBondContact O-N 2.79Å; P604-S608 PolarHBondContact O-OG 2.83Å; P604-Y620 WeakPolarHBondContact CD-OH 3.27Å; P604-Y620 HydrophobicContact CG-CE1 3.71Å; P604-I623 HydrophobicContact CB-CD1 4.23Å
605R76.9Confident69.7Low206 Ų20694 Ų9478%0.77749%0.491SS*.Hα-helixtrans-73.8-22.1176.7-65.7-178.4177.2-179-0.6113.3S603 R609S603-R605 PolarHBondContact O-N 2.9Å; S603-R605 PolarHBondContact OG-N 3.36Å; R605-R609 WeakPolarHBondContact O-CD 3.31Å; R605-R609 WeakPolarHBondContact O-CG 3.45Å
606T78.8Confident71.2Confident55 Ų5587.3 Ų87.334%0.33746%0.46SS..Hα-helixtrans-77.4-47.4172-42.60000109.4L602 S603 P604 S608 R609 M610L602-T606 HydrophobicContact CD2-CG2 4.27Å; S603-T606 PolarHBondContact N-OG1 2.81Å; S603-T606 WeakPolarHBondContact O-CA 3.49Å; S603-T606 WeakPolarHBondContact O-CB 3.4Å; S603-T606 PolarHBondContact O-N 2.88Å; S603-T606 PolarHBondContact OG-N 2.99Å; S603-T606 VanDerWaalsContact OG-N 3.1Å; S603-T606 PolarHBondContact OG-OG1 2.96Å; P604-T606 VanDerWaalsContact C-N 3.33Å; T606-S608 PolarHBondContact O-N 2.85Å; T606-R609 PolarHBondContact O-N 3.04Å; T606-R609 VanDerWaalsContact O-N 3.11Å; T606-M610 HydrophobicContact CG2-CE 4.23Å; T606-M610 PolarHBondContact O-N 3.08Å
607I78.5Confident72.1Confident10 Ų1087.8 Ų87.85%0.05147%0.472CS..Hα-helixtrans-64.4-42.8-176.9-63.1158.6000111.4L602 S603 P604 R609 M610 Y620 I623 F625L602-I607 HydrophobicContact CB-CD1 4.18Å; L602-I607 HydrophobicContact CB-CG1 4.26Å; L602-I607 HydrophobicContact CD1-CD1 4.42Å; L602-I607 HydrophobicContact CD1-CG1 4.16Å; S603-I607 WeakPolarHBondContact O-CG1 2.83Å; S603-I607 PolarHBondContact O-N 3.2Å; P604-I607 PolarHBondContact O-N 2.86Å; I607-R609 PolarHBondContact O-N 2.66Å; I607-R609 VanDerWaalsContact O-N 3.14Å; I607-M610 PolarHBondContact O-N 3.11Å; I607-M610 VanDerWaalsContact O-N 3.11Å; I607-Y620 HydrophobicContact CD1-CD1 4.1Å; I607-Y620 HydrophobicContact CD1-CD2 3.98Å; I607-Y620 HydrophobicContact CD1-CG 3.54Å; I607-I623 HydrophobicContact CD1-CD1 4.14Å; I607-F625 HydrophobicContact CG2-CZ 4.03Å
608S77.1Confident73.2Confident98 Ų9880.8 Ų80.869%0.68544%0.442SS*.THydrogen-bonded Turntrans-68.1-9176.7650000114.5P604 T606P604-S608 PolarHBondContact O-N 2.79Å; P604-S608 PolarHBondContact O-OG 2.83Å; T606-S608 PolarHBondContact O-N 2.85Å
609R81.2Confident73.7Confident220 Ų22079.7 Ų79.783%0.8343%0.434SS*.THydrogen-bonded Turntrans-106-4.8174.3-67.1179.1175.1-163.2-3.8113.3R605 T606 I607R605-R609 WeakPolarHBondContact O-CD 3.31Å; R605-R609 WeakPolarHBondContact O-CG 3.45Å; T606-R609 PolarHBondContact O-N 3.04Å; T606-R609 VanDerWaalsContact O-N 3.11Å; I607-R609 PolarHBondContact O-N 2.66Å; I607-R609 VanDerWaalsContact O-N 3.14Å
610M82.5Confident74.1Confident64 Ų6480.4 Ų80.432%0.31543%0.431SS..SBendtrans-83.5144177.1-80-179.9161.900111.4L602 T606 I607 V614 A615L602-M610 HydrophobicContact CD2-CE 3.86Å; L602-M610 HydrophobicContact CD2-SD 4.3Å; T606-M610 HydrophobicContact CG2-CE 4.23Å; T606-M610 PolarHBondContact O-N 3.08Å; I607-M610 PolarHBondContact O-N 3.11Å; I607-M610 VanDerWaalsContact O-N 3.11Å; M610-V614 HydrophobicContact SD-CG1 4.26Å; M610-A615 HydrophobicContact CB-CB 4.08Å
611P84.3Confident74.6Confident84 Ų8481.7 Ų81.755%0.54543%0.427SS..  trans-63141.6172.727.1-33.9000110.6S613 V614 A615P611-S613 PolarHBondContact O-N 2.92Å; P611-S613 VanDerWaalsContact O-N 3.09Å; P611-V614 HydrophobicContact CG-CB 4.29Å; P611-V614 HydrophobicContact CG-CG2 4.03Å; P611-V614 PolarHBondContact O-N 2.82Å; P611-A615 PolarHBondContact O-N 3.26Å
612F79.3Confident74.7Confident132 Ų13277.8 Ų77.858%0.57943%0.426SS*.Hα-helixtrans-54.7-33.6-170.9179.5-103.2000114.6V614 A615 S616 F625 L627F612-V614 VanDerWaalsContact C-N 3.29Å; F612-V614 PolarHBondContact O-N 3.18Å; F612-A615 PolarHBondContact O-N 2.64Å; F612-S616 WeakPolarHBondContact O-CB 3.4Å; F612-S616 PolarHBondContact O-N 3.47Å; F612-S616 PolarHBondContact O-OG 3.09Å; F612-F625 HydrophobicContact CD2-CD1 4.43Å; F612-F625 HydrophobicContact CE2-CD1 4.02Å; F612-L627 HydrophobicContact CE1-CD2 4.25Å; F612-L627 HydrophobicContact CE2-CD2 4.28Å; F612-L627 HydrophobicContact CZ-CD2 3.51Å
613S76.3Confident74.8Confident92 Ų9279 Ų7964%0.64343%0.432SS*.Hα-helixtrans-60.1-36.8175.149.50000113.2P611 S616P611-S613 PolarHBondContact O-N 2.92Å; P611-S613 VanDerWaalsContact O-N 3.09Å; S613-S616 PolarHBondContact O-OG 3.48Å
614V77.2Confident74.2Confident68 Ų6881.9 Ų81.941%0.41244%0.441SS..Hα-helixtrans-84.6-47.2175.9-179.20000110.1M610 P611 F612 S616 S617 A618M610-V614 HydrophobicContact SD-CG1 4.26Å; P611-V614 HydrophobicContact CG-CB 4.29Å; P611-V614 HydrophobicContact CG-CG2 4.03Å; P611-V614 PolarHBondContact O-N 2.82Å; F612-V614 VanDerWaalsContact C-N 3.29Å; F612-V614 PolarHBondContact O-N 3.18Å; V614-S616 VanDerWaalsContact C-N 3.31Å; V614-S616 PolarHBondContact O-N 3.31Å; V614-S617 WeakPolarHBondContact O-CA 3.47Å; V614-S617 PolarHBondContact O-N 2.86Å; V614-S617 PolarHBondContact O-OG 3.34Å; V614-A618 PolarHBondContact O-N 2.9Å; V614-A618 VanDerWaalsContact O-N 3.13Å
615A78.6Confident74.2Confident3 Ų382 Ų823%0.02544%0.435CS..Hα-helixtrans-57.8-41.5-178.700000112.4M610 P611 F612 S617 A618 F625M610-A615 HydrophobicContact CB-CB 4.08Å; P611-A615 PolarHBondContact O-N 3.26Å; F612-A615 PolarHBondContact O-N 2.64Å; A615-S617 PolarHBondContact O-N 3.39Å; A615-S617 VanDerWaalsContact O-N 3.13Å; A615-A618 WeakPolarHBondContact O-CB 3.41Å; A615-A618 PolarHBondContact O-N 2.82Å; A615-F625 HydrophobicContact CB-CE1 4.42Å; A615-F625 HydrophobicContact CB-CE2 4.33Å; A615-F625 HydrophobicContact CB-CZ 3.8Å; A615-F625 WeakPolarHBondContact O-CE2 3.25Å
616S71.8Confident73.7Confident22 Ų2278.6 Ų78.615%0.15444%0.441CS..THydrogen-bonded Turntrans-69.2-4.6176.266.10000115.1F612 S613 V614F612-S616 WeakPolarHBondContact O-CB 3.4Å; F612-S616 PolarHBondContact O-N 3.47Å; F612-S616 PolarHBondContact O-OG 3.09Å; S613-S616 PolarHBondContact O-OG 3.48Å; V614-S616 VanDerWaalsContact C-N 3.31Å; V614-S616 PolarHBondContact O-N 3.31Å
617S70.1Confident73.2Confident80 Ų8077.3 Ų77.356%0.55943%0.432SS*.THydrogen-bonded Turntrans-106.5-16.717073.10000113.6V614 A615V614-S617 WeakPolarHBondContact O-CA 3.47Å; V614-S617 PolarHBondContact O-N 2.86Å; V614-S617 PolarHBondContact O-OG 3.34Å; A615-S617 PolarHBondContact O-N 3.39Å; A615-S617 VanDerWaalsContact O-N 3.13Å
618A72.4Confident72.8Confident16 Ų1684.6 Ų84.613%0.13247%0.471CS..  trans-77.5150.9176.300000111.5L602 V614 A615L602-A618 HydrophobicContact CD1-CB 3.64Å; V614-A618 PolarHBondContact O-N 2.9Å; V614-A618 VanDerWaalsContact O-N 3.13Å; A615-A618 WeakPolarHBondContact O-CB 3.41Å; A615-A618 PolarHBondContact O-N 2.82Å
619H68.1Low72.5Confident78 Ų7885.6 Ų85.636%0.36146%0.463SS..  trans-129.1115.3-175.9-68.9-5.3000111.7S599S599-H619 PolarHBondContact N-O 3.02Å; S599-H619 PolarHBondContact OG-N 2.91Å
620Y71.1Confident71.7Confident58 Ų5881.1 Ų81.123%0.22745%0.451CS..BIsolated β-bridgetrans-134.1153.6-179.9-175.8-94.2000110.7L602 P604 I607 G622 I623L602-Y620 HydrophobicContact CB-CD2 4.43Å; L602-Y620 WeakPolarHBondContact O-CD2 3.39Å; L602-Y620 VanDerWaalsContact O-CE2 3.27Å; L602-Y620 WeakPolarHBondContact O-CE2 3.29Å; P604-Y620 WeakPolarHBondContact CD-OH 3.27Å; P604-Y620 HydrophobicContact CG-CE1 3.71Å; I607-Y620 HydrophobicContact CD1-CD1 4.1Å; I607-Y620 HydrophobicContact CD1-CD2 3.98Å; I607-Y620 HydrophobicContact CD1-CG 3.54Å; Y620-G622 PolarHBondContact O-N 3.43Å; Y620-I623 HydrophobicContact CD1-CB 4.39Å; Y620-I623 HydrophobicContact CD1-CD1 3.69Å; Y620-I623 HydrophobicContact CD1-CG1 3.93Å; Y620-I623 HydrophobicContact CE1-CD1 4.19Å
621H64.6Low70.9Confident129 Ų12988.1 Ų88.160%0.59747%0.474SS*.THydrogen-bonded Turntrans-72.3125.9-174.857.562.3000112.3I623H621-I623 VanDerWaalsContact C-N 3.28Å; H621-I623 PolarHBondContact O-N 3.25Å
622G62.1Low70Confident81 Ų8185.2 Ų85.284%0.83546%0.456SS*.THydrogen-bonded Turntrans75.49.3178.600000115.5Y620Y620-G622 PolarHBondContact O-N 3.43Å
623I69.7Low69.2Low59 Ų5983.1 Ų83.130%0.30345%0.45SS..BIsolated β-bridgetrans-119.1105.7168.9-59.3177.6000107.7P604 I607 Y620 H621 F625P604-I623 HydrophobicContact CB-CD1 4.23Å; I607-I623 HydrophobicContact CD1-CD1 4.14Å; Y620-I623 HydrophobicContact CD1-CB 4.39Å; Y620-I623 HydrophobicContact CD1-CD1 3.69Å; Y620-I623 HydrophobicContact CD1-CG1 3.93Å; Y620-I623 HydrophobicContact CE1-CD1 4.19Å; H621-I623 VanDerWaalsContact C-N 3.28Å; H621-I623 PolarHBondContact O-N 3.25Å; I623-F625 HydrophobicContact CG2-CE2 4.25Å; I623-F625 HydrophobicContact CG2-CZ 4.25Å
624E65.4Low68.7Low101 Ų10182.4 Ų82.447%0.47244%0.439SS..  trans-120.2133.1174.8-54.2-155.6169.400109.5R635E624-R635 IonicContact OE1-CZ 2.82Å; E624-R635 IonicContact OE1-NH2 2.7Å; E624-R635 PolarHBondContact OE1-NH2 3.01Å; E624-R635 IonicContact OE2-CZ 3.81Å; E624-R635 IonicContact OE2-NE 2.72Å; E624-R635 IonicContact OE2-NH2 3.99Å; E624-R635 PolarHBondContact OE2-NH2 3.09Å
625F71.5Confident68.1Low67 Ų6782.8 Ų82.829%0.29443%0.433SS..  trans-89.1123.9177.8-63.9-84.6000109.3I607 F612 A615 I623 L627I607-F625 HydrophobicContact CG2-CZ 4.03Å; F612-F625 HydrophobicContact CD2-CD1 4.43Å; F612-F625 HydrophobicContact CE2-CD1 4.02Å; A615-F625 HydrophobicContact CB-CE1 4.42Å; A615-F625 HydrophobicContact CB-CE2 4.33Å; A615-F625 HydrophobicContact CB-CZ 3.8Å; A615-F625 WeakPolarHBondContact O-CE2 3.25Å; I623-F625 HydrophobicContact CG2-CE2 4.25Å; I623-F625 HydrophobicContact CG2-CZ 4.25Å; F625-L627 HydrophobicContact CB-CD1 4.42Å; F625-L627 HydrophobicContact CB-CD2 4.07Å; F625-L627 HydrophobicContact CB-CG 3.98Å; F625-L627 PolarHBondContact O-N 3.23Å
626C66.9Low67.5Low133 Ų13386.6 Ų86.690%0.89945%0.453SS*.  trans-66.898.2169.2-58.20000108.9
627L69.1Low67.2Low29 Ų2990.4 Ų90.415%0.15247%0.469CS..  trans-116.4129.8177.9-54.3173.8000108.5F612 F625 K629 S632F612-L627 HydrophobicContact CE1-CD2 4.25Å; F612-L627 HydrophobicContact CE2-CD2 4.28Å; F612-L627 HydrophobicContact CZ-CD2 3.51Å; F625-L627 HydrophobicContact CB-CD1 4.42Å; F625-L627 HydrophobicContact CB-CD2 4.07Å; F625-L627 HydrophobicContact CB-CG 3.98Å; F625-L627 PolarHBondContact O-N 3.23Å; L627-K629 HydrophobicContact CB-CD 4.14Å; L627-K629 HydrophobicContact CB-CG 4.14Å; L627-K629 HydrophobicContact CD1-CD 4.01Å; L627-K629 PolarHBondContact O-N 3.4Å; L627-S632 WeakPolarHBondContact O-CB 3.31Å; L627-S632 PolarHBondContact O-OG 3.38Å
628D69.1Low66.8Low163 Ų16389.1 Ų89.187%0.87246%0.463SS*.  trans-72.439176.7-55.5-53.5000113.7
629K70.4Confident66.2Low119 Ų11992 Ų9252%0.51747%0.473SS..SBendtrans-91.3137.9172.8-62.9174.1-175.3174.40107.4L627 R631 S632 L633L627-K629 HydrophobicContact CB-CD 4.14Å; L627-K629 HydrophobicContact CB-CG 4.14Å; L627-K629 HydrophobicContact CD1-CD 4.01Å; L627-K629 PolarHBondContact O-N 3.4Å; K629-R631 PolarHBondContact O-N 3.01Å; K629-S632 WeakPolarHBondContact O-CB 3.48Å; K629-S632 PolarHBondContact O-N 3.01Å; K629-S632 PolarHBondContact O-OG 3.38Å; K629-L633 PolarHBondContact O-N 2.76Å
630Q65.4Low65.9Low125 Ų12592.6 Ų92.658%0.58448%0.481SS*.Hα-helixtrans-46.5-41.1179.4-174.861.547.600113.3S632 L633 D634Q630-S632 VanDerWaalsContact C-N 3.25Å; Q630-S632 PolarHBondContact O-N 3.16Å; Q630-L633 PolarHBondContact O-N 2.9Å; Q630-D634 PolarHBondContact NE2-OD1 3.5Å; Q630-D634 PolarHBondContact O-N 3.07Å
631R64.7Low65.4Low212 Ų21295.9 Ų95.980%0.849%0.493SS*.Hα-helixtrans-62-24.3178.3-67.5-175.5178.6-177.3-0.9114.8K629 R635K629-R631 PolarHBondContact O-N 3.01Å; R631-R635 WeakPolarHBondContact O-CD 3.16Å; R631-R635 VanDerWaalsContact O-CG 3.23Å; R631-R635 WeakPolarHBondContact O-CG 3.46Å; R631-R635 PolarHBondContact O-N 3.37Å
632S65.7Low65Low22 Ų2291.9 Ų91.915%0.15448%0.476CS..Hα-helixtrans-76-50.6173.1-41.60000109.5L627 K629 Q630 D634 R635 D636L627-S632 WeakPolarHBondContact O-CB 3.31Å; L627-S632 PolarHBondContact O-OG 3.38Å; K629-S632 WeakPolarHBondContact O-CB 3.48Å; K629-S632 PolarHBondContact O-N 3.01Å; K629-S632 PolarHBondContact O-OG 3.38Å; Q630-S632 VanDerWaalsContact C-N 3.25Å; Q630-S632 PolarHBondContact O-N 3.16Å; S632-D634 PolarHBondContact O-N 2.99Å; S632-R635 CarbonylContact O-C 3.39Å; S632-R635 WeakPolarHBondContact O-CA 3.31Å; S632-R635 VanDerWaalsContact O-CB 3.28Å; S632-R635 WeakPolarHBondContact O-CB 3.43Å; S632-R635 PolarHBondContact O-N 3.29Å; S632-D636 VanDerWaalsContact O-CG 3.25Å; S632-D636 PolarHBondContact O-N 2.85Å
633L63.5Low64.7Low89 Ų8992.6 Ų92.647%0.46646%0.457SS..Hα-helixtrans-57.2-38.5176.7-58.2175.6000112K629 Q630 R635 D636 Q637K629-L633 PolarHBondContact O-N 2.76Å; Q630-L633 PolarHBondContact O-N 2.9Å; L633-R635 VanDerWaalsContact C-N 3.32Å; L633-R635 PolarHBondContact O-N 3.18Å; L633-D636 PolarHBondContact O-N 3.34Å; L633-Q637 WeakPolarHBondContact O-CB 3.41Å; L633-Q637 PolarHBondContact O-N 3.41Å
634D64.9Low64.1Low77 Ų7793.4 Ų93.441%0.41247%0.468SS..Hα-helixtrans-63.6-34.8173.7-61-25.9000112.3Q630 S632 A638Q630-D634 PolarHBondContact NE2-OD1 3.5Å; Q630-D634 PolarHBondContact O-N 3.07Å; S632-D634 PolarHBondContact O-N 2.99Å; D634-A638 WeakPolarHBondContact O-CB 3.2Å; D634-A638 PolarHBondContact O-N 2.89Å
635R64.9Low63.5Low76 Ų7695.4 Ų95.429%0.28747%0.472SS..Hα-helixtrans-74.4-45.9175.1-73.9165.961.1138.812.8111.6E624 R631 S632 L633 Q637 A638 F639E624-R635 IonicContact OE1-CZ 2.82Å; E624-R635 IonicContact OE1-NH2 2.7Å; E624-R635 PolarHBondContact OE1-NH2 3.01Å; E624-R635 IonicContact OE2-CZ 3.81Å; E624-R635 IonicContact OE2-NE 2.72Å; E624-R635 IonicContact OE2-NH2 3.99Å; E624-R635 PolarHBondContact OE2-NH2 3.09Å; R631-R635 WeakPolarHBondContact O-CD 3.16Å; R631-R635 VanDerWaalsContact O-CG 3.23Å; R631-R635 WeakPolarHBondContact O-CG 3.46Å; R631-R635 PolarHBondContact O-N 3.37Å; S632-R635 CarbonylContact O-C 3.39Å; S632-R635 WeakPolarHBondContact O-CA 3.31Å; S632-R635 VanDerWaalsContact O-CB 3.28Å; S632-R635 WeakPolarHBondContact O-CB 3.43Å; S632-R635 PolarHBondContact O-N 3.29Å; L633-R635 VanDerWaalsContact C-N 3.32Å; L633-R635 PolarHBondContact O-N 3.18Å; R635-Q637 VanDerWaalsContact C-N 3.29Å; R635-Q637 PolarHBondContact O-N 3.23Å; R635-A638 CarbonylContact O-C 3.54Å; R635-A638 WeakPolarHBondContact O-CA 3.35Å; R635-A638 WeakPolarHBondContact O-CB 3.45Å; R635-A638 PolarHBondContact O-N 2.99Å; R635-F639 WeakPolarHBondContact O-CD2 3.44Å; R635-F639 PolarHBondContact O-N 3.03Å
636D66.9Low62.5Low82 Ų8296.4 Ų96.444%0.43948%0.479SS..Hα-helixtrans-62-43179.6-57.9-30.4000109.6S632 L633 A638 F639 V640S632-D636 VanDerWaalsContact O-CG 3.25Å; S632-D636 PolarHBondContact O-N 2.85Å; L633-D636 PolarHBondContact O-N 3.34Å; D636-A638 VanDerWaalsContact C-N 3.27Å; D636-A638 PolarHBondContact O-N 3.45Å; D636-F639 PolarHBondContact O-N 2.99Å; D636-V640 WeakPolarHBondContact O-CG2 3.47Å; D636-V640 PolarHBondContact O-N 2.92Å
637Q63.9Low62Low103 Ų10394.1 Ų94.148%0.48146%0.457SS..Hα-helixtrans-64.1-28.9172.3-163.9-177.981.700112.7L633 R635 R641L633-Q637 WeakPolarHBondContact O-CB 3.41Å; L633-Q637 PolarHBondContact O-N 3.41Å; R635-Q637 VanDerWaalsContact C-N 3.29Å; R635-Q637 PolarHBondContact O-N 3.23Å; Q637-R641 VanDerWaalsContact CD-NH2 3.3Å; Q637-R641 WeakPolarHBondContact O-CB 3.37Å; Q637-R641 WeakPolarHBondContact O-CD 3.31Å; Q637-R641 WeakPolarHBondContact O-CG 3.46Å; Q637-R641 PolarHBondContact O-N 2.88Å
638A62.3Low61.1Low52 Ų52101.3 Ų101.343%0.4348%0.483SS..Hα-helixtrans-74.8-37.8171.900000112.7D634 R635 D636 R641 L642D634-A638 WeakPolarHBondContact O-CB 3.2Å; D634-A638 PolarHBondContact O-N 2.89Å; R635-A638 CarbonylContact O-C 3.54Å; R635-A638 WeakPolarHBondContact O-CA 3.35Å; R635-A638 WeakPolarHBondContact O-CB 3.45Å; R635-A638 PolarHBondContact O-N 2.99Å; D636-A638 VanDerWaalsContact C-N 3.27Å; D636-A638 PolarHBondContact O-N 3.45Å; A638-R641 PolarHBondContact O-N 3.18Å; A638-L642 PolarHBondContact O-N 3.11Å
639F60.2Low60.3Low78 Ų78101.2 Ų101.234%0.34247%0.471SS..Hα-helixtrans-68-43.8174.4-81.5-64.3000112R635 D636 R641 L642 Q643R635-F639 WeakPolarHBondContact O-CD2 3.44Å; R635-F639 PolarHBondContact O-N 3.03Å; D636-F639 PolarHBondContact O-N 2.99Å; F639-R641 VanDerWaalsContact C-N 3.29Å; F639-R641 PolarHBondContact O-N 3.25Å; F639-L642 CarbonylContact O-C 3.53Å; F639-L642 WeakPolarHBondContact O-CA 3.49Å; F639-L642 WeakPolarHBondContact O-CB 3.13Å; F639-L642 PolarHBondContact O-N 3.23Å; F639-Q643 PolarHBondContact O-N 3.17Å
640V61.5Low59.3Low89 Ų89102.8 Ų102.854%0.53948%0.481SS..Hα-helixtrans-60.6-38.7173171.20000111.2D636 L642 S644D636-V640 WeakPolarHBondContact O-CG2 3.47Å; D636-V640 PolarHBondContact O-N 2.92Å; V640-L642 VanDerWaalsContact C-N 3.26Å; V640-L642 PolarHBondContact O-N 2.71Å; V640-S644 WeakPolarHBondContact O-CB 3.39Å; V640-S644 PolarHBondContact O-N 2.79Å; V640-S644 PolarHBondContact O-OG 3.33Å
641R60.2Low58.4Low127 Ų127100.9 Ų100.948%0.47948%0.477SS..Hα-helixtrans-66.7-21.5170.9-77.5170.4-179.1137.63.6114Q637 A638 F639 S644 R645Q637-R641 VanDerWaalsContact CD-NH2 3.3Å; Q637-R641 WeakPolarHBondContact O-CB 3.37Å; Q637-R641 WeakPolarHBondContact O-CD 3.31Å; Q637-R641 WeakPolarHBondContact O-CG 3.46Å; Q637-R641 PolarHBondContact O-N 2.88Å; A638-R641 PolarHBondContact O-N 3.18Å; F639-R641 VanDerWaalsContact C-N 3.29Å; F639-R641 PolarHBondContact O-N 3.25Å; R641-S644 WeakPolarHBondContact CA-OG 3.48Å; R641-R645 WeakPolarHBondContact O-CD 3.36Å; R641-R645 WeakPolarHBondContact O-CG 3.42Å; R641-R645 PolarHBondContact O-NE 2.87Å
642L56.5Low57.6Low46 Ų4696.6 Ų96.624%0.24147%0.467CS..Hα-helixtrans-87.4-46.3176.6-176.162.8000111I589 A638 F639 V640 R645 L646I589-L642 HydrophobicContact CD1-CD2 3.84Å; I589-L642 HydrophobicContact CG1-CD2 4.07Å; I589-L642 HydrophobicContact CG2-CD2 4.26Å; A638-L642 PolarHBondContact O-N 3.11Å; F639-L642 CarbonylContact O-C 3.53Å; F639-L642 WeakPolarHBondContact O-CA 3.49Å; F639-L642 WeakPolarHBondContact O-CB 3.13Å; F639-L642 PolarHBondContact O-N 3.23Å; V640-L642 VanDerWaalsContact C-N 3.26Å; V640-L642 PolarHBondContact O-N 2.71Å; L642-R645 PolarHBondContact O-N 3.1Å; L642-R645 VanDerWaalsContact O-N 3.13Å; L642-L646 HydrophobicContact CD1-CD1 3.82Å; L642-L646 HydrophobicContact CD1-CG 4.26Å; L642-L646 HydrophobicContact CG-CD1 3.93Å; L642-L646 WeakPolarHBondContact O-CG 3.29Å; L642-L646 PolarHBondContact O-N 2.72Å; L642-L646 VanDerWaalsContact O-N 3.09Å
643Q56.7Low56.8Low95 Ų9599.6 Ų99.644%0.44448%0.484SS..Hα-helixtrans-55.6-54.6173.4-73.4171.8-59.600110.5F639 R645 L646 I647F639-Q643 PolarHBondContact O-N 3.17Å; Q643-R645 PolarHBondContact O-N 3.25Å; Q643-L646 PolarHBondContact O-N 2.88Å; Q643-L646 VanDerWaalsContact O-N 3.07Å; Q643-I647 CarbonylContact O-C 3.49Å; Q643-I647 WeakPolarHBondContact O-CA 3.29Å; Q643-I647 PolarHBondContact O-N 2.94Å
644S56.2Low56Low76 Ų76101.3 Ų101.353%0.53150%0.498SS..Hα-helixtrans-60-14.8178.154.10000115.4V640 R641V640-S644 WeakPolarHBondContact O-CB 3.39Å; V640-S644 PolarHBondContact O-N 2.79Å; V640-S644 PolarHBondContact O-OG 3.33Å; R641-S644 WeakPolarHBondContact CA-OG 3.48Å
645R52.6Low54.9Low143 Ų143103.2 Ų103.254%0.5452%0.516SS..Hα-helixtrans-90.3-38.5174-72.2172.6-174-168.6-2.2113R641 L642 Q643 R648R641-R645 WeakPolarHBondContact O-CD 3.36Å; R641-R645 WeakPolarHBondContact O-CG 3.42Å; R641-R645 PolarHBondContact O-NE 2.87Å; L642-R645 PolarHBondContact O-N 3.1Å; L642-R645 VanDerWaalsContact O-N 3.13Å; Q643-R645 PolarHBondContact O-N 3.25Å; R645-R648 PolarHBondContact O-NE 3.26Å
646L51.4Low54Low88 Ų88103.2 Ų103.246%0.46153%0.528SS..Hα-helixtrans-92-48.3-175.1-63.2176.9000112.4L587 L642 Q643L587-L646 HydrophobicContact CD1-CD1 4.24Å; L642-L646 HydrophobicContact CD1-CD1 3.82Å; L642-L646 HydrophobicContact CD1-CG 4.26Å; L642-L646 HydrophobicContact CG-CD1 3.93Å; L642-L646 WeakPolarHBondContact O-CG 3.29Å; L642-L646 PolarHBondContact O-N 2.72Å; L642-L646 VanDerWaalsContact O-N 3.09Å; Q643-L646 PolarHBondContact O-N 2.88Å; Q643-L646 VanDerWaalsContact O-N 3.07Å
647I55.1Low52.8Low85 Ų85109.8 Ų109.844%0.43655%0.553SS.*  trans-100.186.5-179.8-49.7175.9000107.6Q643 E650Q643-I647 CarbonylContact O-C 3.49Å; Q643-I647 WeakPolarHBondContact O-CA 3.29Å; Q643-I647 PolarHBondContact O-N 2.94Å; I647-E650 HydrophobicContact CG2-CB 3.83Å; I647-E650 HydrophobicContact CG2-CG 4.16Å
648R50.9Low51.8Low180 Ų180112.1 Ų112.168%0.67956%0.564SS**SBendtrans-90.3-12.2-177.3-60.6-173-173.4-166.70.7114.3R645R645-R648 PolarHBondContact O-NE 3.26Å
649Y51.9Low50.8Low161 Ų161115.3 Ų115.363%0.63158%0.58SS**  trans-139.948.3-170.1-56.3-57.3000111T651 Q652Y649-T651 PolarHBondContact O-N 3.44Å; Y649-Q652 PolarHBondContact O-N 3.48Å
650E49.3Very low49.7Very low153 Ų153116.9 Ų116.972%0.71560%0.599SS**THydrogen-bonded Turntrans-54.2-28.8-174.2-168.2164.5-144.300113.7I647I647-E650 HydrophobicContact CG2-CB 3.83Å; I647-E650 HydrophobicContact CG2-CG 4.16Å
651T47.3Very low48.6Very low84 Ų84117.2 Ų117.252%0.51561%0.612SS.*THydrogen-bonded Turntrans-112.534.1-178.366.10000113.9Y649 T653 F664Y649-T651 PolarHBondContact O-N 3.44Å; T651-T653 VanDerWaalsContact C-N 3.32Å; T651-T653 PolarHBondContact O-N 3.28Å; T651-F664 HydrophobicContact CG2-CZ 4.36Å
652Q47.9Very low47.5Very low123 Ų123117.1 Ų117.158%0.57562%0.62SS**  trans-7189.2164.7-91.4-179.411.500110.1Y649Y649-Q652 PolarHBondContact O-N 3.48Å
653T48.2Very low46.6Very low84 Ų84120.8 Ų120.852%0.51565%0.647SS.*  trans-77.3149.9173.382.30000110.8T651 C655T651-T653 VanDerWaalsContact C-N 3.32Å; T651-T653 PolarHBondContact O-N 3.28Å; T653-C655 PolarHBondContact O-N 3.15Å; T653-C655 PolarHBondContact OG1-N 3.46Å
654T46.6Very low45.7Very low126 Ų126123.1 Ų123.177%0.77366%0.655SS**THydrogen-bonded Turntrans-72.92.5173.348.70000113.9
655C43.5Very low44.5Very low117 Ų117123.8 Ų123.879%0.79167%0.666SS**THydrogen-bonded Turntrans-94.5-8.9-170.1-61.90000114.5T653T653-C655 PolarHBondContact O-N 3.15Å; T653-C655 PolarHBondContact OG1-N 3.46Å
656S46Very low43.5Very low76 Ų76124.7 Ų124.753%0.53168%0.68SS.*  trans-118.4123.7-178.353.50000111.5E658S656-E658 VanDerWaalsContact C-N 3.3Å; S656-E658 PolarHBondContact O-N 3Å
657K41Very low42.4Very low219 Ų219125.5 Ų125.595%0.95269%0.693SS**SBendtrans-72.1-16-177.2-76.5-174.3175.6179.40115.2
658E43.3Very low41.2Very low153 Ų153127.6 Ų127.672%0.71571%0.712SS**SBendtrans-123.9138.7-176.2-64.2-173.7151.400111.5S656 C660S656-E658 VanDerWaalsContact C-N 3.3Å; S656-E658 PolarHBondContact O-N 3Å; E658-C660 PolarHBondContact O-N 3.44Å
659P39.8Very low40.1Very low119 Ų119123.2 Ų123.277%0.77372%0.715SS**  trans-82.981.8-174.433.2-35.7000112.4A661P659-A661 PolarHBondContact O-N 2.82Å
660C38.4Very low39Very low110 Ų110121.5 Ų121.574%0.74372%0.723SS**  trans-66.8115.2169.9-73.80000111.8E658 L662E658-C660 PolarHBondContact O-N 3.44Å; C660-L662 PolarHBondContact O-N 3.37Å; C660-L662 VanDerWaalsContact O-N 3.13Å
661A37Very low38Very low97 Ų97119.2 Ų119.280%0.80272%0.724SS**  trans-7989.1171.700000111P659P659-A661 PolarHBondContact O-N 2.82Å
662L38.1Very low38.2Very low124 Ų124120.9 Ų120.965%0.64974%0.737SS**  trans-72.8133.1176.3-75.3172.5000112.1C660 F664C660-L662 PolarHBondContact O-N 3.37Å; C660-L662 VanDerWaalsContact O-N 3.13Å; L662-F664 HydrophobicContact CB-CE2 4.22Å; L662-F664 PolarHBondContact O-N 2.81Å
663P36.6Very low37.2Very low124 Ų124119.7 Ų119.781%0.80575%0.748SS**  trans-81.799.2177.532-33.1000111.1A665P663-A665 PolarHBondContact O-N 3Å; P663-A665 VanDerWaalsContact O-N 3.16Å
664F39.6Very low36.2Very low143 Ų143121.6 Ų121.663%0.62776%0.759SS**  trans-76.1103.3177.8-80.6-82.1000113T651 L662 L666T651-F664 HydrophobicContact CG2-CZ 4.36Å; L662-F664 HydrophobicContact CB-CE2 4.22Å; L662-F664 PolarHBondContact O-N 2.81Å; F664-L666 HydrophobicContact CD1-CD2 4.48Å
665A29.1Very low35.2Very low91 Ų91123.7 Ų123.775%0.75276%0.762SS**  trans-120.3105.1153.500000108.3P663 S667P663-A665 PolarHBondContact O-N 3Å; P663-A665 VanDerWaalsContact O-N 3.16Å; A665-S667 PolarHBondContact O-N 3.22Å
666L32.2Very low34.6Very low162 Ų162123.4 Ų123.485%0.84876%0.761SS**  trans-78.2102.5176.7-69.6176.2000110.2F664F664-L666 HydrophobicContact CD1-CD2 4.48Å
667S28Very low33.9Very low105 Ų105128.4 Ų128.473%0.73478%0.776SS**  trans-140146.9163.2-76.60000107.8A665 A669A665-S667 PolarHBondContact O-N 3.22Å; S667-A669 PolarHBondContact O-N 2.92Å
668P30.4Very low34Very low128 Ų128123.7 Ų123.783%0.83177%0.768SS**PPolyproline II helixtrans-67.4131.7-169.226.3-34.7000112.3
669A27.8Very low33.2Very low88 Ų88120 Ų12073%0.72777%0.77SS**PPolyproline II helixtrans-81.2133.8174.300000111.1S667S667-A669 PolarHBondContact O-N 2.92Å
670P29.8Very low32.6Very low125 Ų125119.9 Ų119.981%0.81277%0.773SS**PPolyproline II helixtrans-78145.3159.432.8-31.6000110.2
671S26.6Very low32.2Very low105 Ų105120.4 Ų120.473%0.73477%0.772SS**  trans-122.4177.5175.1-52.30000109.7
672P52Low32.3Very low120 Ų120121 Ų12178%0.77977%0.768SS**  -130.2154.7-71.237.4-23.5000113.7
673A26.4Very low31.9Very low98 Ų98122.3 Ų122.381%0.8178%0.776SS**  trans-153.5133.7160.700000108.4
674V28.5Very low31.4Very low123 Ų123120.2 Ų120.275%0.74578%0.776SS**  cis106.411819.1175.40000112.6
675M24.1Very low30.9Very low171 Ų171122.7 Ų122.784%0.84279%0.79SS**  trans71144.9-177.6-34.1-143.677.600115.5
676S31.6Very low30.8Very low110 Ų110124.3 Ų124.377%0.76979%0.79SS**  cis-14116110.7-53.50000113.4
677E31.5Very low30.5Very low181 Ų181123.4 Ų123.485%0.84679%0.786SS**  trans-84.9-157.6167.6-48.8-177.4120.100110.4
678P43.8Very low30.4Very low121 Ų121125.9 Ų125.979%0.78679%0.786SS**  cis-142178.9-6.740.6-20.9000117.7
679G25.1Very low30.2Very low74 Ų74126.2 Ų126.276%0.76378%0.78SS**  trans99.1141.9153.100000116.6
680S28.4Very low30Very low117 Ų117129.1 Ų129.182%0.81878%0.784SS**  cis-156.3145.4-2.353.50000112.1
681V30Very low29.8Very low122 Ų122131.4 Ų131.474%0.73978%0.784SS**  trans-76.2159.8166.3-131.40000110.2
682P38.5Very low29.9Very low110 Ų110131.5 Ų131.571%0.71478%0.78SS**  -125.2139.881.23.220.3000112.6
683D29.2Very low28.7Very low151 Ų151133.1 Ų133.181%0.80778%0.781SS**  75.213383.9-58.4-34.8000113.5
684G27.9Very low28.7Very low79 Ų79136.2 Ų136.281%0.81478%0.779SS**  trans148.493.6-178.700000113.4
685E28.5Very low28.8Very low195 Ų195136.6 Ų136.691%0.91178%0.776SS**  trans-55.7165.1-173.3-59.1174.5134.100116.7
686T26.9Very low28.8Very low125 Ų125138 Ų13877%0.76778%0.777SS**  trans-54.9134.417051.30000113.5
687L26.3Very low28.8Very low143 Ų143142.5 Ų142.575%0.74978%0.777SS**  172.9142.6111.8-89.6167.3000114
688Q26.1Very low28.6Very low158 Ų158144.9 Ų144.974%0.73878%0.779SS**  trans28.7113.6146.2-63.81764.700122
689N24.7Very low28Very low134 Ų134142.6 Ų142.672%0.71777%0.766SS**  60.4124.1126.7-62.8-22.5000122.4
690N24.6Very low28.2Very low149 Ų149149.8 Ų149.880%0.79777%0.77SS**  trans73.4148152.5-49.2-23.8000115.5
691E25.4Very low28.1Very low173 Ų173150.7 Ų150.781%0.80877%0.765SS**  cis-139.9150.320.6-85.1-165.9146.700116.1
692V28.6Very low28.3Very low107 Ų107150.4 Ų150.465%0.64876%0.764SS**  trans44.2121.8132.6-174.20000122.4
693L26.1Very low27.7Very low155 Ų155152.5 Ų152.581%0.81277%0.769SS**  trans-158.5142.8142.9-75.5-171.9000108.1
694Q26.8Very low27.5Very low163 Ų163152 Ų15276%0.76277%0.771SS**  cis-139.2153.7-30.4-70.5178.120.600105.2
695L30.4Very low27.2Very low131 Ų131153 Ų15369%0.68677%0.772SS**  cis81.291.128.9-145.6179.7000116.3R697L695-R697 HydrophobicContact CD2-CG 4.11Å
696K23.7Very low26.8Very low201 Ų201147.7 Ų147.787%0.87477%0.77SS**  trans-150.488.3159-159.7170.3-174.3175.30109.2
697R32Very low26.5Very low204 Ų204145.6 Ų145.677%0.7777%0.772SS**  60.9142.9104.8-68.8-166.5-179.1-152.12.9115.1L695L695-R697 HydrophobicContact CD2-CG 4.11Å
698R28Very low26.2Very low231 Ų231149.3 Ų149.387%0.87278%0.778SS**  cis-122.3177.619.7-50.7179.2177.9-169.8-1110.6
699S30.4Very low26.8Very low73 Ų73147 Ų14751%0.5178%0.777SS.*  cis71.5137.217.980.50000116.5
700W29.2Very low26.9Very low225 Ų225150.9 Ų150.985%0.85278%0.782SS**  cis-137.9-163.24-104.6-64.6000108.4
701D25.7Very low27.1Very low136 Ų136153.5 Ų153.573%0.72779%0.786SS**  cis-154.5-15211.8-142.6-48.4000113.2
702T35Very low27.1Very low116 Ų116156 Ų15671%0.71279%0.788SS**  trans-129.2158.3-161.1-32.90000115.9
703D25.7Very low27Very low154 Ų154157.7 Ų157.782%0.82479%0.792SS**  trans101154.6146.7-121.4-21.2000123.2
704V25Very low27Very low140 Ų140155.9 Ų155.985%0.84879%0.788SS**  trans84.3130.6172.6-166.40000120.7
705A21.6Very low27.1Very low101 Ų101157 Ų15784%0.83579%0.79SS**  trans-68.8158.8-168.200000120.6
706G21.1Very low26.8Very low83 Ų83156.6 Ų156.686%0.85680%0.798SS**  trans125.7138.3133.500000119
707G20.9Very low26.8Very low80 Ų80155.7 Ų155.783%0.82580%0.797SS**  trans115.6106.8152.600000119.4
708Y19.4Very low26.5Very low221 Ų221151.8 Ų151.887%0.86780%0.801SS**  trans-73.5168.3151.8-96.1-100.6000109.8
709P39Very low26.6Very low110 Ų110145.1 Ų145.171%0.71479%0.79SS**  cis-151.7158.633.242.1-20.6000121.4
710R26.8Very low26.3Very low216 Ų216148.4 Ų148.482%0.81580%0.802SS**  trans44.7115.3138.7-69.1177.3158.2-176.4-6.2121.6
711K27.9Very low26.1Very low204 Ų204142 Ų14289%0.88779%0.791SS**  167.2152.1112.5-87.4149-167.9167.90110.5
712R25.8Very low26Very low225 Ų225143.2 Ų143.285%0.84980%0.797SS**  cis-154.5173.2-15.1-147.3-140.4-67.8-142.45.3110.8
713L26.2Very low25.6Very low142 Ų142143.2 Ų143.274%0.74380%0.8SS**  trans-38.1161.2160.8-94.373.1000117.9
714V25.6Very low25.7Very low118 Ų118141.2 Ų141.272%0.71580%0.798SS**  cis-164.5-179-8.986.50000112.3
715K29.4Very low25.7Very low186 Ų186143.3 Ų143.381%0.80980%0.799SS**  trans-31.1155.9167.3-55.3167.3179.7-175.60117.2
716S24.7Very low25.8Very low123 Ų123144.4 Ų144.486%0.8680%0.8SS**  -165.5171117.4-1130000113.8
717E24Very low26.1Very low182 Ų182146.4 Ų146.485%0.8580%0.801SS**  trans-96.9-168.9-177.1-59.6163.8104.500112.5
718S25.9Very low26.2Very low122 Ų122146.2 Ų146.285%0.85380%0.799SS**  trans99.8166.5151.879.20000119.2
719S28.2Very low26.3Very low90 Ų90140.9 Ų140.963%0.62979%0.794SS**  trans-93.2-175.3-156.748.70000113.4
720D24.9Very low25.7Very low143 Ų143141.3 Ų141.377%0.76580%0.799SS**  trans71.9152.6158.3-59.4-51.6000116
721S25.4Very low25.6Very low89 Ų89134.3 Ų134.362%0.62280%0.795SS**  cis-165.4-165.1-19.450.10000108.2
722L23.5Very low25.5Very low163 Ų163131.4 Ų131.485%0.85379%0.794SS**  trans70.4127.7162.4-62.1171.3000118.5
723C26.9Very low25.5Very low116 Ų116129.2 Ų129.278%0.78479%0.793SS**  trans-67.4152.5153.9-53.80000109.5
724S26.8Very low25.6Very low111 Ų111128.8 Ų128.878%0.77680%0.799SS**  176.2168.3122.9-82.10000113.7
725Q25.5Very low25.5Very low185 Ų185127.5 Ų127.586%0.86480%0.8SS**  trans79.499.6159.5-48.2-157.617.700119.3
726S24.7Very low25.4Very low124 Ų124126.6 Ų126.687%0.86780%0.803SS**  -146.2112.9124.163.80000109.3
727S26.8Very low25.4Very low125 Ų125131.5 Ų131.587%0.87480%0.802SS**  trans-113.5143.8178.2-56.10000109.9
728G22.8Very low25.4Very low76 Ų76128.2 Ų128.278%0.78480%0.8SS**  trans158.3120.7163.800000118.8
729S22.5Very low25.4Very low108 Ų108130.2 Ų130.276%0.75580%0.8SS**  trans63.9101.3138-167.40000121.7
730S26.4Very low25.2Very low119 Ų119136 Ų13683%0.83281%0.808SS**  38.7129.3112.3-44.40000121.5
731G23.7Very low25.2Very low69 Ų69136.4 Ų136.471%0.71181%0.805SS**  trans170.396.6158.400000118.9
732T25.7Very low25.2Very low143 Ų143141.2 Ų141.288%0.87782%0.818SS**  trans40.1125.3146.544.60000122.9
733H25.8Very low25.1Very low180 Ų180138.4 Ų138.483%0.83382%0.818SS**  trans-66.9164.6150.6-66.5-85.9000111.9
734P29.3Very low25Very low132 Ų132138.2 Ų138.286%0.85782%0.818SS**  -131.1168.6108.937.8-31.6000113.9
735A23.6Very low24.9Very low91 Ų91144.7 Ų144.775%0.75283%0.826SS**  trans-128.4162.4-174.100000112.6
736I26.3Very low24.9Very low167 Ų167140.9 Ų140.986%0.85682%0.819SS**  trans-158.1154.7159.2-94145000107.2
737R24.2Very low24.8Very low226 Ų226144.6 Ų144.685%0.85382%0.823SS**  cis-176169.2-47.3-136.2179.9-179.2174.70.7105.6
738S25.2Very low24.6Very low114 Ų114144.3 Ų144.380%0.79782%0.821SS**  trans66.7120.5-177.572.30000114.5
739L24.4Very low24.5Very low163 Ų163144.9 Ų144.985%0.85382%0.818SS**  cis76.9100.418.3-164.3128.9000115.8
740R25.3Very low24.5Very low213 Ų213145.1 Ų145.180%0.80482%0.82SS**  trans-160.2115.5133.4-132.5179.2165.6139.82.9115.8
741Q25.2Very low24.3Very low151 Ų151144.1 Ų144.171%0.70681%0.813SS**  trans55138.1139.1-68176.5-54.500122.9
742Q24.6Very low24.2Very low190 Ų190146.2 Ų146.289%0.88882%0.816SS**  trans-68.8166.3170.5-49.9139.2-72.300112.1
743A22.1Very low24.1Very low103 Ų103144.4 Ų144.485%0.85180%0.804SS**  -163.7146.4115.900000111
744S24.3Very low24Very low113 Ų113142.3 Ų142.379%0.7980%0.799SS**  trans-100.9146.8171.652.10000111
745R24Very low23.8Very low247 Ų247142.8 Ų142.893%0.93279%0.794SS**  -169.2151.8126.9-111.2175.7174.8169.5-0.7112.9
746S25.1Very low23.8Very low104 Ų104143.1 Ų143.173%0.72779%0.791SS**  trans-91.2162.8176.546.50000111.7
747Q22.9Very low23.7Very low202 Ų202140.7 Ų140.794%0.94479%0.789SS**  trans-160.9149.4141-113.1171.527.100111
748S22.4Very low23.6Very low120 Ų120134.9 Ų134.984%0.83979%0.789SS**  trans-128.4137.9-170.2-57.50000111.4
749A21.7Very low23.5Very low88 Ų88135.5 Ų135.573%0.72779%0.788SS**  trans-158.7110.7167.200000106.5
750S21.6Very low23.5Very low113 Ų113138.7 Ų138.779%0.7979%0.789SS**  64.8135.681.372.90000113.7
751S23.6Very low23.5Very low98 Ų98140 Ų14069%0.68579%0.793SS**  cis-169.2155-10.543.70000110.7
752C21Very low23.5Very low113 Ų113138.8 Ų138.876%0.76480%0.799SS**  trans56.6166.7152.869.70000118.7
753T24.1Very low23.4Very low105 Ų105135.6 Ų135.664%0.64480%0.797SS**  cis-149.9162.92.3-22.80000111.4
754N22.1Very low23.4Very low135 Ų135134 Ų13472%0.72279%0.791SS**  trans85.2123.8141.2-77.4-17.5000124.5
755L25.3Very low23.3Very low143 Ų143136.8 Ų136.875%0.74980%0.796SS**  trans83.384.7131.4-64.5170.9000122.1
756S23.9Very low23.2Very low98 Ų98128.9 Ų128.969%0.68578%0.784SS**  63.9136.5104.5-61.20000123.6
757S24.8Very low23Very low116 Ų116130.6 Ų130.681%0.81179%0.79SS**  trans71.8119.2148.667.40000119.5
758A21.7Very low23.1Very low104 Ų104128.6 Ų128.686%0.8679%0.785SS**  trans-104.7136.1165.600000110.5
759T23.9Very low23.3Very low126 Ų126128.6 Ų128.677%0.77378%0.782SS**  trans-131.6114.1171.6-61.90000112.2
760R24.2Very low23.4Very low230 Ų230129.7 Ų129.787%0.86878%0.783SS**  trans21123.8148.7-55.7176.8-177.5-1800.9120.3
761R24.1Very low23.7Very low240 Ų240129.4 Ų129.491%0.90678%0.779SS**  trans43.8124.1136.4-66.1-175178.4176.5-1120.3
762P25.9Very low23.6Very low127 Ų127131.7 Ų131.783%0.82578%0.779SS**  trans-85.2159.3158.836.1-33.5000113.1
763S22.7Very low23.8Very low122 Ų122136.8 Ų136.885%0.85378%0.782SS**  trans-127.5166.3161.5-64.90000108.4
764G21.6Very low23.9Very low70 Ų70137.5 Ų137.572%0.72279%0.788SS**  trans-63.2174176.700000114.3
765L22.9Very low24.2Very low172 Ų172140.1 Ų140.190%0.90179%0.793SS**  cis-157.7157.826.2-156.576.9000112.9
766A21.5Very low24.3Very low81 Ų81139.2 Ų139.267%0.66980%0.796SS**  trans45.7124.7152.800000121.9
767T22.2Very low24.4Very low139 Ų139142.5 Ų142.585%0.85380%0.8SS**  161.7144.7112.4-65.70000111.7
768L23.1Very low24.5Very low160 Ų160146.1 Ų146.184%0.83880%0.804SS**  trans-102.7172.7176.3-69.9168000110
769P27.2Very low24.7Very low120 Ų120148.9 Ų148.978%0.77980%0.8SS**  cis-131.9-170.74.834.2-12.1000114.9
770C24.3Very low24.7Very low111 Ų111151.9 Ų151.975%0.7580%0.802SS**  trans-79.6164.2169.6-174.20000111.8
771P28.3Very low24.6Very low108 Ų108147 Ų14770%0.70180%0.797SS**  -141.7148.8114.333.5-18.2000116.9
772E21Very low24.6Very low146 Ų146141.3 Ų141.368%0.68279%0.789SS**  trans67.3121.4142.6-65.2-162.713500120.6
773R24.2Very low24.6Very low219 Ų219144.1 Ų144.183%0.82679%0.791SS**  84.3154.661.6-81.3-177174.6-178-3.9112.8
774P27.3Very low24.7Very low120 Ų120141.8 Ų141.878%0.77979%0.786SS**  cis-127.3-170.2-6.337.9-20000114.5
775K29.1Very low25.3Very low191 Ų191148.4 Ų148.483%0.8380%0.798SS**  trans-88.6162.8164.3-59.3175.1-179.1176.70110.6
776P26.9Very low25.5Very low123 Ų123144.6 Ų144.680%0.79979%0.792SS**  -134.1157.9101.837-27.9000112.2
777Q25.4Very low26.1Very low168 Ų168150.2 Ų150.279%0.78580%0.804SS**  cis91.890.619.5-165.3-1777.400116.2
778Q26.2Very low26.7Very low191 Ų191151.2 Ų151.289%0.89380%0.804SS**  trans179.4171.9147.5-100.4165.328.700107.9
779Q26.1Very low27.4Very low163 Ų163152.5 Ų152.576%0.76280%0.803SS**  -176.3151.7-71.2-118.4-165.2-2.700106.3
780K24.2Very low28.3Very low188 Ų188152.8 Ų152.882%0.81781%0.805SS**  trans68.5151.4169.5-72-174.4177.8-178.40117.7
781V22.6Very low29.4Very low128 Ų128152.7 Ų152.778%0.77681%0.805SS**  cis-164.7-178.9-28.891.40000109.9
782V24.8Very low30.6Very low121 Ų121157.8 Ų157.873%0.73382%0.817SS**  trans93.4145.5175-167.50000116.3
783Q26.1Very low33Very low186 Ų186154.3 Ų154.387%0.86980%0.8SS**  trans-78.4155.9-165.6-58.6122.6-71.700115.8
784G24Very low35.5Very low72 Ų72146.2 Ų146.274%0.74278%0.777SS**  trans-154.7132.9151.500000109.3
785Q33.3Very low37.7Very low209 Ų209148.5 Ų148.598%0.97777%0.771SS**  trans-77.3134.4172.1-76.9-178.6-43.300109.8
786A28.4Very low39.9Very low93 Ų93143 Ų14377%0.76976%0.756SS**  trans-141.8122.2166.500000109.1D788A786-D788 PolarHBondContact O-N 2.86Å
787E33.6Very low42.5Very low198 Ų198142.4 Ų142.493%0.92574%0.742SS**  trans-77.897.2171.1-67-174.4119.700109.3K789E787-K789 PolarHBondContact O-N 2.81Å
788D35.2Very low45.2Very low160 Ų160139.7 Ų139.786%0.85673%0.728SS**PPolyproline II helixtrans-73.5126.4-179.7-127.5-24.3000111.2A786A786-D788 PolarHBondContact O-N 2.86Å
789K38Very low48Very low187 Ų187133.4 Ų133.481%0.81370%0.698SS**PPolyproline II helixtrans-69.4135.8-169.4-70.4170.4-178.9168.50110.6E787 S791E787-K789 PolarHBondContact O-N 2.81Å; K789-S791 PolarHBondContact O-N 3.33Å; K789-S791 VanDerWaalsContact O-N 3.13Å
790P45.9Very low50.9Low127 Ų127127.9 Ų127.983%0.82567%0.674SS**PPolyproline II helixtrans-65.1118.1-174.425.4-34.2000111.8
791S47.3Very low53.9Low108 Ų108125.1 Ų125.176%0.75566%0.659SS**PPolyproline II helixtrans-53.8142.6166.161.70000110.4K789 E793K789-S791 PolarHBondContact O-N 3.33Å; K789-S791 VanDerWaalsContact O-N 3.13Å; S791-E793 PolarHBondContact O-N 3.28Å
792K53.1Low56.9Low215 Ų215122 Ų12294%0.93564%0.636SS**  trans-61.192.9-175.3-73.1-178.3177.4176.20112.3S794K792-S794 PolarHBondContact O-N 3.13Å
793E71.1Confident60Low73 Ų73116.4 Ų116.434%0.34160%0.602SS.*  trans-60.6128.2176.7-178.4179.8-139.600111.3S791 Q797 K798 R801S791-E793 PolarHBondContact O-N 3.28Å; E793-Q797 HydrophobicContact CG-CB 3.69Å; E793-K798 HydrophobicContact CG-CB 4.17Å; E793-K798 WeakPolarHBondContact OE1-CA 3.44Å; E793-K798 PolarHBondContact OE1-N 3.06Å; E793-R801 IonicContact OE1-CZ 3.19Å; E793-R801 IonicContact OE1-NH1 2.73Å; E793-R801 PolarHBondContact OE1-NH1 2.85Å; E793-R801 IonicContact OE2-CZ 2.67Å; E793-R801 IonicContact OE2-NH1 2.71Å; E793-R801 PolarHBondContact OE2-NH1 2.71Å; E793-R801 IonicContact OE2-NH2 3.96Å
794S77.4Confident62.9Low49 Ų49112.5 Ų112.534%0.34358%0.584SS.*  trans-71.3151.8175.8690000111.8K792 S796 Q797 K798K792-S794 PolarHBondContact O-N 3.13Å; S794-S796 PolarHBondContact O-N 2.98Å; S794-S796 VanDerWaalsContact O-N 3.12Å; S794-S796 PolarHBondContact OG-OG 2.85Å; S794-Q797 WeakPolarHBondContact O-CB 3.3Å; S794-Q797 PolarHBondContact O-N 3.3Å; S794-Q797 WeakPolarHBondContact OG-CG 3.25Å; S794-Q797 PolarHBondContact OG-N 2.95Å; S794-Q797 PolarHBondContact OG-OE1 2.96Å; S794-K798 PolarHBondContact O-N 3.45Å
795R72.6Confident65.9Low169 Ų169113.8 Ų113.864%0.63857%0.571SS**Hα-helixtrans-53.7-36.7-179.1-174.2177.7178.8-171.80.3113.1H799 S844R795-H799 PolarHBondContact O-CD2 3.29Å; R795-H799 VanDerWaalsContact O-CG 3.27Å; R795-H799 PolarHBondContact O-N 2.92Å; R795-H799 VanDerWaalsContact O-N 3.1Å; R795-S844 PolarHBondContact NH2-OG 3.29Å
796S76.5Confident68.6Low74 Ų74104.4 Ų104.452%0.51753%0.527SS..Hα-helixtrans-71.9-39.4176.753.50000112.5S794 H799 N800S794-S796 PolarHBondContact O-N 2.98Å; S794-S796 VanDerWaalsContact O-N 3.12Å; S794-S796 PolarHBondContact OG-OG 2.85Å; S796-H799 PolarHBondContact O-N 3.28Å; S796-N800 PolarHBondContact O-N 3.43Å; S796-N800 PolarHBondContact O-ND2 3.07Å
797Q80.1Confident71.4Confident111 Ų111100 Ų10052%0.51949%0.49SS..Hα-helixtrans-60.3-47.7171.9-74.7160.4-3900110.8E793 S794 H799 N800 R801E793-Q797 HydrophobicContact CG-CB 3.69Å; S794-Q797 WeakPolarHBondContact O-CB 3.3Å; S794-Q797 PolarHBondContact O-N 3.3Å; S794-Q797 WeakPolarHBondContact OG-CG 3.25Å; S794-Q797 PolarHBondContact OG-N 2.95Å; S794-Q797 PolarHBondContact OG-OE1 2.96Å; Q797-H799 VanDerWaalsContact C-N 3.31Å; Q797-H799 PolarHBondContact O-N 2.96Å; Q797-N800 PolarHBondContact O-N 3Å; Q797-R801 PolarHBondContact O-N 2.97Å
798K83.3Confident73.9Confident112 Ų11292.1 Ų92.149%0.48746%0.46SS..Hα-helixtrans-56.3-42.3176.7-170.4175-177.6175.30112.8E793 S794 M802E793-K798 HydrophobicContact CG-CB 4.17Å; E793-K798 WeakPolarHBondContact OE1-CA 3.44Å; E793-K798 PolarHBondContact OE1-N 3.06Å; S794-K798 PolarHBondContact O-N 3.45Å; K798-M802 WeakPolarHBondContact O-CB 3.38Å; K798-M802 PolarHBondContact O-N 3.42Å
799H84.7Confident76.4Confident58 Ų5890.6 Ų90.627%0.26945%0.445SS..Hα-helixtrans-67.5-38.3175.6-70-167.8000112.6R795 S796 Q797 L803 L847 M851R795-H799 PolarHBondContact O-CD2 3.29Å; R795-H799 VanDerWaalsContact O-CG 3.27Å; R795-H799 PolarHBondContact O-N 2.92Å; R795-H799 VanDerWaalsContact O-N 3.1Å; S796-H799 PolarHBondContact O-N 3.28Å; Q797-H799 VanDerWaalsContact C-N 3.31Å; Q797-H799 PolarHBondContact O-N 2.96Å; H799-L803 PolarHBondContact O-N 2.69Å; H799-L803 VanDerWaalsContact O-N 3.07Å; H799-L847 VanDerWaalsContact CE1-CD2 3.5Å; H799-L847 WeakPolarHBondContact CE1-CD2 3.27Å; H799-L847 WeakPolarHBondContact ND1-CD2 3.43Å; H799-M851 HydrophobicContact CB-CE 4.1Å; H799-M851 WeakPolarHBondContact O-CE 3.5Å
800N85.9Confident78.7Confident48 Ų4882.5 Ų82.526%0.25741%0.412SS..Hα-helixtrans-65.7-44.4175-75.6-78.3000111.2S796 Q797 M802 L803 Q804 F831 K835S796-N800 PolarHBondContact O-N 3.43Å; S796-N800 PolarHBondContact O-ND2 3.07Å; Q797-N800 PolarHBondContact O-N 3Å; N800-M802 PolarHBondContact O-N 3.3Å; N800-L803 PolarHBondContact O-N 2.93Å; N800-Q804 WeakPolarHBondContact O-CG 3.45Å; N800-Q804 PolarHBondContact O-N 3.14Å; N800-F831 HydrophobicContact CB-CZ 4.32Å; N800-K835 WeakPolarHBondContact OD1-CE 3.34Å; N800-K835 PolarHBondContact OD1-NZ 3.3Å
801R88.1Confident80.5Confident130 Ų13076.4 Ų76.449%0.49137%0.372SS..Hα-helixtrans-61.8-44.2177.7-166.2179.879.9-138.97.1111.7E793 Q797 L803 Q804 E805E793-R801 IonicContact OE1-CZ 3.19Å; E793-R801 IonicContact OE1-NH1 2.73Å; E793-R801 PolarHBondContact OE1-NH1 2.85Å; E793-R801 IonicContact OE2-CZ 2.67Å; E793-R801 IonicContact OE2-NH1 2.71Å; E793-R801 PolarHBondContact OE2-NH1 2.71Å; E793-R801 IonicContact OE2-NH2 3.96Å; Q797-R801 PolarHBondContact O-N 2.97Å; R801-L803 VanDerWaalsContact C-N 3.34Å; R801-L803 PolarHBondContact O-N 3.44Å; R801-Q804 PolarHBondContact O-N 3.35Å; R801-E805 PolarHBondContact O-N 2.76Å
802M86.1Confident82.3Confident61 Ų6178.7 Ų78.730%0.337%0.368SS..Hα-helixtrans-58.7-43.2174.8-177.9174.6-78.400112K798 N800 E805 I806 H848 M851K798-M802 WeakPolarHBondContact O-CB 3.38Å; K798-M802 PolarHBondContact O-N 3.42Å; N800-M802 PolarHBondContact O-N 3.3Å; M802-E805 PolarHBondContact O-N 2.89Å; M802-I806 HydrophobicContact CG-CD1 4.04Å; M802-I806 WeakPolarHBondContact O-CB 3.23Å; M802-I806 VanDerWaalsContact O-CG1 3.26Å; M802-I806 WeakPolarHBondContact O-CG1 3.44Å; M802-I806 PolarHBondContact O-N 3.48Å; M802-H848 HydrophobicContact SD-CB 4.48Å; M802-M851 HydrophobicContact CB-SD 4.43Å; M802-M851 HydrophobicContact CG-SD 3.98Å; M802-M851 HydrophobicContact SD-SD 4.14Å
803L88.7Confident83.6Confident4 Ų476.2 Ų76.22%0.02136%0.36CS..Hα-helixtrans-67.5-37.9175.9-17961.5000112.6H799 N800 R801 I806 V807 F831 K835 L838 M851H799-L803 PolarHBondContact O-N 2.69Å; H799-L803 VanDerWaalsContact O-N 3.07Å; N800-L803 PolarHBondContact O-N 2.93Å; R801-L803 VanDerWaalsContact C-N 3.34Å; R801-L803 PolarHBondContact O-N 3.44Å; L803-I806 PolarHBondContact O-N 3.2Å; L803-V807 HydrophobicContact CD1-CG2 4.24Å; L803-V807 HydrophobicContact CG-CG2 4.45Å; L803-V807 WeakPolarHBondContact O-CB 3.42Å; L803-V807 VanDerWaalsContact O-CG2 3.28Å; L803-V807 WeakPolarHBondContact O-CG2 3.26Å; L803-V807 PolarHBondContact O-N 3.29Å; L803-F831 HydrophobicContact CB-CD2 4.3Å; L803-F831 HydrophobicContact CB-CE2 4Å; L803-F831 HydrophobicContact CD2-CD2 3.84Å; L803-F831 HydrophobicContact CD2-CE2 3.75Å; L803-F831 HydrophobicContact CG-CD2 3.76Å; L803-F831 HydrophobicContact CG-CE2 3.87Å; L803-K835 HydrophobicContact CD2-CB 3.82Å; L803-L838 HydrophobicContact CD1-CD1 3.9Å; L803-L838 HydrophobicContact CD2-CD1 3.79Å; L803-L838 HydrophobicContact CG-CD1 4.43Å; L803-M851 HydrophobicContact CB-CE 4.18Å; L803-M851 HydrophobicContact CB-SD 4.25Å; L803-M851 HydrophobicContact CD1-CB 4.09Å; L803-M851 HydrophobicContact CD1-CG 4.09Å
804Q87.8Confident83.9Confident104 Ų10476.1 Ų76.149%0.48636%0.36SS..Hα-helixtrans-62.2-43.2174-72.5172.5-37.700111.8N800 R801 V807 A808 F831N800-Q804 WeakPolarHBondContact O-CG 3.45Å; N800-Q804 PolarHBondContact O-N 3.14Å; R801-Q804 PolarHBondContact O-N 3.35Å; Q804-V807 PolarHBondContact O-N 2.88Å; Q804-A808 WeakPolarHBondContact O-CB 3.45Å; Q804-A808 PolarHBondContact O-N 3.09Å; Q804-F831 HydrophobicContact CG-CD2 3.68Å; Q804-F831 HydrophobicContact CG-CE2 3.5Å; Q804-F831 VanDerWaalsContact CG-CE2 3.5Å; Q804-F831 HydrophobicContact CG-CZ 4.19Å
805E87.9Confident83.7Confident100 Ų10076.9 Ų76.947%0.46738%0.375SS..Hα-helixtrans-63.5-41.9176.9-165.8-169.9147.400111.9R801 M802 K809R801-E805 PolarHBondContact O-N 2.76Å; M802-E805 PolarHBondContact O-N 2.89Å; E805-K809 HydrophobicContact CG-CD 4.38Å; E805-K809 WeakPolarHBondContact O-CB 3.34Å; E805-K809 VanDerWaalsContact O-CG 3.3Å; E805-K809 WeakPolarHBondContact O-CG 3.26Å; E805-K809 PolarHBondContact O-N 2.95Å; E805-K809 WeakPolarHBondContact OE1-CE 3.49Å; E805-K809 IonicContact OE1-NZ 3.65Å; E805-K809 PolarHBondContact OE1-NZ 3.37Å
806I88.5Confident83.9Confident11 Ų1169.2 Ų69.26%0.05635%0.346CS..Hα-helixtrans-63.4-47174.2-72.1167.2000111M802 L803 A808 K809 T810 M851 K852 A855M802-I806 HydrophobicContact CG-CD1 4.04Å; M802-I806 WeakPolarHBondContact O-CB 3.23Å; M802-I806 VanDerWaalsContact O-CG1 3.26Å; M802-I806 WeakPolarHBondContact O-CG1 3.44Å; M802-I806 PolarHBondContact O-N 3.48Å; L803-I806 PolarHBondContact O-N 3.2Å; I806-A808 PolarHBondContact O-N 3.47Å; I806-K809 PolarHBondContact O-N 3.49Å; I806-T810 WeakPolarHBondContact O-CB 3.37Å; I806-T810 PolarHBondContact O-N 2.94Å; I806-T810 PolarHBondContact O-OG1 2.89Å; I806-M851 HydrophobicContact CD1-CB 3.56Å; I806-M851 HydrophobicContact CD1-CG 4.42Å; I806-M851 HydrophobicContact CD1-SD 4.1Å; I806-K852 HydrophobicContact CG2-CB 4.25Å; I806-A855 HydrophobicContact CG2-CB 4.05Å
807V88.5Confident83.7Confident0 Ų067.7 Ų67.70%034%0.338CS..Hα-helixtrans-59.8-44.7178163.40000111.5L803 Q804 T810 L811 L830 F831 A855L803-V807 HydrophobicContact CD1-CG2 4.24Å; L803-V807 HydrophobicContact CG-CG2 4.45Å; L803-V807 WeakPolarHBondContact O-CB 3.42Å; L803-V807 VanDerWaalsContact O-CG2 3.28Å; L803-V807 WeakPolarHBondContact O-CG2 3.26Å; L803-V807 PolarHBondContact O-N 3.29Å; Q804-V807 PolarHBondContact O-N 2.88Å; V807-T810 PolarHBondContact O-N 3.42Å; V807-L811 HydrophobicContact CG1-CD1 3.93Å; V807-L811 WeakPolarHBondContact O-CB 3.36Å; V807-L811 WeakPolarHBondContact O-CG 3.34Å; V807-L811 PolarHBondContact O-N 2.83Å; V807-L830 HydrophobicContact CG1-CB 4.24Å; V807-L830 HydrophobicContact CG1-CD2 4.25Å; V807-L830 HydrophobicContact CG1-CG 4.38Å; V807-L830 HydrophobicContact CG2-CG 4.3Å; V807-F831 HydrophobicContact CG2-CB 4.37Å; V807-A855 HydrophobicContact CG2-CB 4.42Å
808A85.8Confident83.2Confident34 Ų3467.7 Ų67.728%0.28135%0.346SS..Hα-helixtrans-63.3-42176.600000112.4Q804 I806 K812 F823Q804-A808 WeakPolarHBondContact O-CB 3.45Å; Q804-A808 PolarHBondContact O-N 3.09Å; I806-A808 PolarHBondContact O-N 3.47Å; A808-K812 WeakPolarHBondContact O-CB 3.45Å; A808-K812 PolarHBondContact O-N 3.05Å; A808-F823 HydrophobicContact CB-CZ 4.31Å
809K86.9Confident82.5Confident127 Ų12771.4 Ų71.455%0.55237%0.365SS*.Hα-helixtrans-63.7-43.8174.7-75.6169.3174.8174.90112E805 I806 K812 H813E805-K809 HydrophobicContact CG-CD 4.38Å; E805-K809 WeakPolarHBondContact O-CB 3.34Å; E805-K809 VanDerWaalsContact O-CG 3.3Å; E805-K809 WeakPolarHBondContact O-CG 3.26Å; E805-K809 PolarHBondContact O-N 2.95Å; E805-K809 WeakPolarHBondContact OE1-CE 3.49Å; E805-K809 IonicContact OE1-NZ 3.65Å; E805-K809 PolarHBondContact OE1-NZ 3.37Å; I806-K809 PolarHBondContact O-N 3.49Å; K809-K812 PolarHBondContact O-N 3.42Å; K809-H813 PolarHBondContact O-N 3.44Å
810T86.4Confident82Confident17 Ų1772.5 Ų72.510%0.10437%0.37CS..Hα-helixtrans-66.4-39.6179.1-66.80000112.2I806 V807 H813 H814 A855 V859I806-T810 WeakPolarHBondContact O-CB 3.37Å; I806-T810 PolarHBondContact O-N 2.94Å; I806-T810 PolarHBondContact O-OG1 2.89Å; V807-T810 PolarHBondContact O-N 3.42Å; T810-H813 PolarHBondContact O-N 3.38Å; T810-H814 PolarHBondContact O-N 3.25Å; T810-H814 PolarHBondContact O-ND1 2.95Å; T810-A855 HydrophobicContact CG2-CB 4.21Å; T810-V859 HydrophobicContact CG2-CB 3.91Å; T810-V859 HydrophobicContact CG2-CG1 3.91Å; T810-V859 HydrophobicContact CG2-CG2 4.13Å
811L84.8Confident81.4Confident0 Ų079.5 Ų79.50%040%0.401CS..Hα-helixtrans-66.8-44.3175-77.7166.3000112.3V807 H813 H814 G815 I816 F823 C826 S827 L830 V859 V863V807-L811 HydrophobicContact CG1-CD1 3.93Å; V807-L811 WeakPolarHBondContact O-CB 3.36Å; V807-L811 WeakPolarHBondContact O-CG 3.34Å; V807-L811 PolarHBondContact O-N 2.83Å; L811-H813 VanDerWaalsContact C-N 3.25Å; L811-H813 PolarHBondContact O-N 3.16Å; L811-H814 CarbonylContact O-C 3.45Å; L811-H814 WeakPolarHBondContact O-CA 3.44Å; L811-H814 PolarHBondContact O-N 3.47Å; L811-G815 PolarHBondContact O-N 3.49Å; L811-I816 CarbonylContact C-O 3.33Å; L811-I816 HydrophobicContact CD2-CD1 4.5Å; L811-I816 PolarHBondContact O-N 3.43Å; L811-I816 VanDerWaalsContact O-N 3.13Å; L811-F823 HydrophobicContact CB-CD2 4.41Å; L811-F823 HydrophobicContact CB-CE2 4.04Å; L811-F823 HydrophobicContact CD1-CD2 4.41Å; L811-F823 HydrophobicContact CD1-CE2 4.17Å; L811-C826 HydrophobicContact CD1-CB 4.21Å; L811-C826 HydrophobicContact CD2-CB 3.83Å; L811-S827 VanDerWaalsContact CD1-CA 3.48Å; L811-L830 HydrophobicContact CD2-CD2 4.36Å; L811-L830 HydrophobicContact CG-CD2 4.17Å; L811-V859 HydrophobicContact CD2-CG2 3.81Å; L811-V859 HydrophobicContact CG-CG2 4.46Å; L811-V863 HydrophobicContact CD2-CG2 4.04Å
812K83.9Confident80.8Confident155 Ų15574 Ų7467%0.67438%0.382SS*.Hα-helixtrans-59.9-35.9175.1-174.2172.8-178.91740112.2A808 K809 H814 G815 I816A808-K812 WeakPolarHBondContact O-CB 3.45Å; A808-K812 PolarHBondContact O-N 3.05Å; K809-K812 PolarHBondContact O-N 3.42Å; K812-H814 VanDerWaalsContact C-N 3.27Å; K812-H814 PolarHBondContact O-N 2.96Å; K812-G815 PolarHBondContact O-N 2.96Å; K812-I816 PolarHBondContact N-O 3.07Å
813H81.6Confident80.6Confident164 Ų16472.3 Ų72.376%0.75937%0.373SS*.Hα-helixtrans-69.6-22.1174.7-169.960.8000113.5K809 T810 L811K809-H813 PolarHBondContact O-N 3.44Å; T810-H813 PolarHBondContact O-N 3.38Å; L811-H813 VanDerWaalsContact C-N 3.25Å; L811-H813 PolarHBondContact O-N 3.16Å
814H76.2Confident80.2Confident71 Ų7179.4 Ų79.433%0.32941%0.406SS..THydrogen-bonded Turntrans-99.826.1175.3-7077.3000112.7T810 L811 K812 I816 V859T810-H814 PolarHBondContact O-N 3.25Å; T810-H814 PolarHBondContact O-ND1 2.95Å; L811-H814 CarbonylContact O-C 3.45Å; L811-H814 WeakPolarHBondContact O-CA 3.44Å; L811-H814 PolarHBondContact O-N 3.47Å; K812-H814 VanDerWaalsContact C-N 3.27Å; K812-H814 PolarHBondContact O-N 2.96Å; H814-I816 VanDerWaalsContact C-N 3.28Å; H814-I816 PolarHBondContact O-N 2.86Å; H814-V859 HydrophobicContact CB-CG2 4.19Å
815G73.8Confident79.9Confident64 Ų6476.9 Ų76.966%0.6640%0.403SS*.THydrogen-bonded Turntrans81.8-11.2173.200000116L811 K812 A817L811-G815 PolarHBondContact O-N 3.49Å; K812-G815 PolarHBondContact O-N 2.96Å; G815-A817 PolarHBondContact O-N 2.99Å
816I76.6Confident79.7Confident8 Ų872.1 Ų72.14%0.04138%0.381CS..  trans-89.591.6177.3-49-166.5000109.6L811 K812 H814 H820 F823 V863L811-I816 CarbonylContact C-O 3.33Å; L811-I816 HydrophobicContact CD2-CD1 4.5Å; L811-I816 PolarHBondContact O-N 3.43Å; L811-I816 VanDerWaalsContact O-N 3.13Å; K812-I816 PolarHBondContact N-O 3.07Å; H814-I816 VanDerWaalsContact C-N 3.28Å; H814-I816 PolarHBondContact O-N 2.86Å; I816-H820 HydrophobicContact CG2-CB 3.81Å; I816-F823 HydrophobicContact CG2-CB 3.86Å; I816-F823 HydrophobicContact CG2-CD2 3.89Å; I816-F823 HydrophobicContact CG2-CG 4.38Å; I816-F823 WeakPolarHBondContact O-CD2 3.29Å; I816-V863 HydrophobicContact CD1-CB 4.26Å; I816-V863 HydrophobicContact CD1-CG1 3.84Å; I816-V863 HydrophobicContact CD1-CG2 3.5Å; I816-V863 HydrophobicContact CG1-CG2 4.41Å
817A72.6Confident79.6Confident43 Ų4373 Ų7336%0.35539%0.388SS..  trans-71166.9167.800000111.8G815 E819 H820 F823G815-A817 PolarHBondContact O-N 2.99Å; A817-E819 PolarHBondContact O-N 3.17Å; A817-E819 VanDerWaalsContact O-N 3.16Å; A817-H820 WeakPolarHBondContact O-CB 3.37Å; A817-H820 PolarHBondContact O-N 3.4Å; A817-H820 VanDerWaalsContact O-N 3.11Å; A817-F823 WeakPolarHBondContact O-CB 3.24Å; A817-F823 WeakPolarHBondContact O-CD2 3.44Å
818V69.4Low79.5Confident110 Ų11079.6 Ų79.667%0.66742%0.417SS*.THydrogen-bonded Turntrans-59.6-28-177.8-175.80000112.7H820 F823V818-H820 VanDerWaalsContact C-N 3.35Å; V818-F823 HydrophobicContact CB-CD1 4.39Å; V818-F823 HydrophobicContact CB-CE1 4.27Å; V818-F823 HydrophobicContact CG1-CD1 4.22Å; V818-F823 HydrophobicContact CG1-CE1 4.09Å; V818-F823 HydrophobicContact CG2-CE1 4.03Å; V818-F823 HydrophobicContact CG2-CE2 4.37Å; V818-F823 HydrophobicContact CG2-CZ 3.91Å
819E68.6Low79.5Confident190 Ų19083.7 Ų83.789%0.88843%0.425SS*.THydrogen-bonded Turntrans-82.9-6-178.2-67163.7-145.400113.9A817A817-E819 PolarHBondContact O-N 3.17Å; A817-E819 VanDerWaalsContact O-N 3.16Å
820H74.8Confident79.6Confident82 Ų8277.6 Ų77.638%0.3840%0.399SS..SBendtrans-81.3130.6178.2-176-81.6000110.7I816 A817 V818 C822 F823I816-H820 HydrophobicContact CG2-CB 3.81Å; A817-H820 WeakPolarHBondContact O-CB 3.37Å; A817-H820 PolarHBondContact O-N 3.4Å; A817-H820 VanDerWaalsContact O-N 3.11Å; V818-H820 VanDerWaalsContact C-N 3.35Å; H820-C822 PolarHBondContact ND1-N 2.85Å; H820-C822 PolarHBondContact O-N 3.49Å; H820-F823 WeakPolarHBondContact O-CB 3.38Å; H820-F823 PolarHBondContact O-N 3.42Å
821E73.4Confident79.7Confident194 Ų19477.9 Ų77.991%0.90740%0.398SS*.THydrogen-bonded Turntrans-51.6-37.5-172.3-59.3-174.9154.900114.3F823E821-F823 VanDerWaalsContact C-N 3.3Å; E821-F823 PolarHBondContact O-N 2.94Å
822C74.6Confident79.9Confident14 Ų1481.8 Ų81.810%0.09542%0.419CS..THydrogen-bonded Turntrans-77.5-4.7178.5-63.10000114.8H820 E824 A825 C826 V866H820-C822 PolarHBondContact ND1-N 2.85Å; H820-C822 PolarHBondContact O-N 3.49Å; C822-E824 PolarHBondContact O-N 3.22Å; C822-A825 PolarHBondContact O-N 2.85Å; C822-C826 WeakPolarHBondContact O-CB 3.43Å; C822-C826 PolarHBondContact O-N 2.93Å; C822-C826 PolarHBondContact O-SG 3.15Å; C822-C826 VanDerWaalsContact O-SG 3.34Å; C822-V866 HydrophobicContact CB-CG1 3.82Å
823F81.2Confident80Confident27 Ų2776.5 Ų76.512%0.11840%0.398CS..Hα-helixtrans-60.6-46.4-172178.9-98.4000113.1A808 L811 I816 A817 V818 H820 E821 A825 C826 S827A808-F823 HydrophobicContact CB-CZ 4.31Å; L811-F823 HydrophobicContact CB-CD2 4.41Å; L811-F823 HydrophobicContact CB-CE2 4.04Å; L811-F823 HydrophobicContact CD1-CD2 4.41Å; L811-F823 HydrophobicContact CD1-CE2 4.17Å; I816-F823 HydrophobicContact CG2-CB 3.86Å; I816-F823 HydrophobicContact CG2-CD2 3.89Å; I816-F823 HydrophobicContact CG2-CG 4.38Å; I816-F823 WeakPolarHBondContact O-CD2 3.29Å; A817-F823 WeakPolarHBondContact O-CB 3.24Å; A817-F823 WeakPolarHBondContact O-CD2 3.44Å; V818-F823 HydrophobicContact CB-CD1 4.39Å; V818-F823 HydrophobicContact CB-CE1 4.27Å; V818-F823 HydrophobicContact CG1-CD1 4.22Å; V818-F823 HydrophobicContact CG1-CE1 4.09Å; V818-F823 HydrophobicContact CG2-CE1 4.03Å; V818-F823 HydrophobicContact CG2-CE2 4.37Å; V818-F823 HydrophobicContact CG2-CZ 3.91Å; H820-F823 WeakPolarHBondContact O-CB 3.38Å; H820-F823 PolarHBondContact O-N 3.42Å; E821-F823 VanDerWaalsContact C-N 3.3Å; E821-F823 PolarHBondContact O-N 2.94Å; F823-A825 VanDerWaalsContact C-N 3.35Å; F823-A825 PolarHBondContact O-N 2.86Å; F823-C826 PolarHBondContact O-N 3.44Å; F823-S827 WeakPolarHBondContact O-CB 3.4Å; F823-S827 PolarHBondContact O-N 2.97Å
824E80.5Confident80.3Confident152 Ų15268.7 Ų68.771%0.7136%0.362SS*.Hα-helixtrans-63.9-42-179.6-164.3-170.1160.700111.3C822 S827 K828C822-E824 PolarHBondContact O-N 3.22Å; E824-S827 PolarHBondContact O-N 3.41Å; E824-K828 VanDerWaalsContact O-CB 3.29Å; E824-K828 WeakPolarHBondContact O-CB 3.41Å; E824-K828 PolarHBondContact O-N 3.27Å
825A82.3Confident80.8Confident51 Ų5168.8 Ų68.842%0.42136%0.361SS..Hα-helixtrans-64.4-47.7177.600000112.1C822 F823 R829 V866C822-A825 PolarHBondContact O-N 2.85Å; F823-A825 VanDerWaalsContact C-N 3.35Å; F823-A825 PolarHBondContact O-N 2.86Å; A825-R829 VanDerWaalsContact O-CB 3.24Å; A825-R829 WeakPolarHBondContact O-CB 3.23Å; A825-R829 PolarHBondContact O-N 3.48Å; A825-V866 HydrophobicContact CB-CG1 4Å
826C82.7Confident81.4Confident0 Ų072.1 Ų72.10%036%0.358CS..Hα-helixtrans-62.7-45.4175.6-71.20000111.8L811 C822 F823 R829 L830L811-C826 HydrophobicContact CD1-CB 4.21Å; L811-C826 HydrophobicContact CD2-CB 3.83Å; C822-C826 WeakPolarHBondContact O-CB 3.43Å; C822-C826 PolarHBondContact O-N 2.93Å; C822-C826 PolarHBondContact O-SG 3.15Å; C822-C826 VanDerWaalsContact O-SG 3.34Å; F823-C826 PolarHBondContact O-N 3.44Å; C826-R829 PolarHBondContact O-N 3.22Å; C826-L830 WeakPolarHBondContact O-CB 3.38Å; C826-L830 PolarHBondContact O-N 3.19Å
827S86.3Confident81.6Confident30 Ų3078.1 Ų78.121%0.2138%0.381CS..Hα-helixtrans-60.8-51.3-179.8-178.50000111.6L811 F823 E824 R829 F831L811-S827 VanDerWaalsContact CD1-CA 3.48Å; F823-S827 WeakPolarHBondContact O-CB 3.4Å; F823-S827 PolarHBondContact O-N 2.97Å; E824-S827 PolarHBondContact O-N 3.41Å; S827-R829 PolarHBondContact O-N 3Å; S827-F831 WeakPolarHBondContact O-CB 3.43Å; S827-F831 PolarHBondContact O-N 3.28Å
828K87.1Confident82Confident139 Ų13977.3 Ų77.360%0.60437%0.37SS*.Hα-helixtrans-60.7-46.1177.5-170.8171.8-174.61710111.9E824 F831 D832E824-K828 VanDerWaalsContact O-CB 3.29Å; E824-K828 WeakPolarHBondContact O-CB 3.41Å; E824-K828 PolarHBondContact O-N 3.27Å; K828-F831 PolarHBondContact O-N 3.14Å; K828-D832 PolarHBondContact O-N 2.96Å
829R85.6Confident82.5Confident119 Ų11979.1 Ų79.145%0.44937%0.369SS..Hα-helixtrans-68.6-41.9-178-172.256.8168.9177.91.1112.8A825 C826 S827 I833 V862A825-R829 VanDerWaalsContact O-CB 3.24Å; A825-R829 WeakPolarHBondContact O-CB 3.23Å; A825-R829 PolarHBondContact O-N 3.48Å; C826-R829 PolarHBondContact O-N 3.22Å; S827-R829 PolarHBondContact O-N 3Å; R829-I833 HydrophobicContact CG-CD1 4Å; R829-I833 WeakPolarHBondContact O-CD1 3.44Å; R829-I833 VanDerWaalsContact O-CG1 3.3Å; R829-I833 WeakPolarHBondContact O-CG1 3.3Å; R829-I833 PolarHBondContact O-N 3.18Å; R829-I833 VanDerWaalsContact O-N 3.12Å; R829-V862 HydrophobicContact CB-CG1 3.91Å; R829-V862 HydrophobicContact CG-CG1 3.93Å; R829-V862 HydrophobicContact CG-CG2 4.47Å
830L88.9Confident82.6Confident0 Ų076 Ų760%036%0.359CS..Hα-helixtrans-69.3-38177.5-174.658.8000111.6V807 L811 C826 S834 N858 V859 V862V807-L830 HydrophobicContact CG1-CB 4.24Å; V807-L830 HydrophobicContact CG1-CD2 4.25Å; V807-L830 HydrophobicContact CG1-CG 4.38Å; V807-L830 HydrophobicContact CG2-CG 4.3Å; L811-L830 HydrophobicContact CD2-CD2 4.36Å; L811-L830 HydrophobicContact CG-CD2 4.17Å; C826-L830 WeakPolarHBondContact O-CB 3.38Å; C826-L830 PolarHBondContact O-N 3.19Å; L830-S834 VanDerWaalsContact O-CB 3.3Å; L830-S834 WeakPolarHBondContact O-CB 3.28Å; L830-S834 PolarHBondContact O-N 2.79Å; L830-S834 PolarHBondContact O-OG 3.43Å; L830-N858 HydrophobicContact CD1-CB 3.71Å; L830-V859 HydrophobicContact CD1-CB 4.49Å; L830-V859 HydrophobicContact CD2-CB 3.8Å; L830-V859 HydrophobicContact CD2-CG2 3.92Å; L830-V862 HydrophobicContact CB-CG1 4.2Å; L830-V862 HydrophobicContact CD1-CG2 4.11Å
831F89.8Confident82.7Confident23 Ų2375.6 Ų75.610%0.10136%0.359CS..Hα-helixtrans-59.8-50.6172.8175.8-97.1000111.7N800 L803 Q804 V807 S827 K828 I833 S834 K835N800-F831 HydrophobicContact CB-CZ 4.32Å; L803-F831 HydrophobicContact CB-CD2 4.3Å; L803-F831 HydrophobicContact CB-CE2 4Å; L803-F831 HydrophobicContact CD2-CD2 3.84Å; L803-F831 HydrophobicContact CD2-CE2 3.75Å; L803-F831 HydrophobicContact CG-CD2 3.76Å; L803-F831 HydrophobicContact CG-CE2 3.87Å; Q804-F831 HydrophobicContact CG-CD2 3.68Å; Q804-F831 HydrophobicContact CG-CE2 3.5Å; Q804-F831 VanDerWaalsContact CG-CE2 3.5Å; Q804-F831 HydrophobicContact CG-CZ 4.19Å; V807-F831 HydrophobicContact CG2-CB 4.37Å; S827-F831 WeakPolarHBondContact O-CB 3.43Å; S827-F831 PolarHBondContact O-N 3.28Å; K828-F831 PolarHBondContact O-N 3.14Å; F831-I833 PolarHBondContact O-N 3.32Å; F831-S834 PolarHBondContact O-N 3.37Å; F831-K835 HydrophobicContact CD1-CD 4.36Å; F831-K835 HydrophobicContact CE1-CD 3.62Å; F831-K835 HydrophobicContact CZ-CD 3.75Å; F831-K835 WeakPolarHBondContact O-CB 3.47Å; F831-K835 PolarHBondContact O-N 2.98Å
832D87.8Confident82.2Confident82 Ų8276.2 Ų76.244%0.43936%0.358SS..Hα-helixtrans-63.2-39.9-179.5-76.1-27.6000112.5K828 F836K828-D832 PolarHBondContact O-N 2.96Å; D832-F836 PolarHBondContact O-N 3.02Å
833I86.4Confident81.9Confident43 Ų4380.2 Ų80.222%0.22138%0.383CS..Hα-helixtrans-67-51.3177-70.6167000111R829 F831 K835 F836 Y837 N858 V862R829-I833 HydrophobicContact CG-CD1 4Å; R829-I833 WeakPolarHBondContact O-CD1 3.44Å; R829-I833 VanDerWaalsContact O-CG1 3.3Å; R829-I833 WeakPolarHBondContact O-CG1 3.3Å; R829-I833 PolarHBondContact O-N 3.18Å; R829-I833 VanDerWaalsContact O-N 3.12Å; F831-I833 PolarHBondContact O-N 3.32Å; I833-K835 VanDerWaalsContact C-N 3.28Å; I833-K835 PolarHBondContact O-N 3.2Å; I833-F836 WeakPolarHBondContact O-CB 3.48Å; I833-F836 PolarHBondContact O-N 2.77Å; I833-Y837 HydrophobicContact CG2-CD2 4.05Å; I833-Y837 HydrophobicContact CG2-CE2 3.71Å; I833-Y837 WeakPolarHBondContact O-CD2 3.35Å; I833-Y837 PolarHBondContact O-N 2.88Å; I833-N858 HydrophobicContact CG2-CB 4.23Å; I833-V862 HydrophobicContact CD1-CG2 3.67Å
834S87.2Confident81.2Confident0 Ų081.7 Ų81.70%040%0.396CS..Hα-helixtrans-60.9-40.7178.7-53.20000110.9L830 F831 F836 Y837 L838 A854L830-S834 VanDerWaalsContact O-CB 3.3Å; L830-S834 WeakPolarHBondContact O-CB 3.28Å; L830-S834 PolarHBondContact O-N 2.79Å; L830-S834 PolarHBondContact O-OG 3.43Å; F831-S834 PolarHBondContact O-N 3.37Å; S834-F836 PolarHBondContact O-N 3.41Å; S834-Y837 PolarHBondContact O-N 3.13Å; S834-L838 VanDerWaalsContact O-CD1 3.3Å; S834-L838 WeakPolarHBondContact O-CD1 3.36Å; S834-L838 WeakPolarHBondContact O-CG 3.44Å; S834-L838 PolarHBondContact O-N 3.28Å; S834-L838 VanDerWaalsContact O-N 3.09Å; S834-A854 PolarHBondContact OG-O 2.88Å
835K87.6Confident80.7Confident74 Ų7485.5 Ų85.532%0.32240%0.404SS..Hα-helixtrans-64.1-25.2175.1-178.4168.6174.4171.40113.3N800 L803 F831 I833 K839N800-K835 WeakPolarHBondContact OD1-CE 3.34Å; N800-K835 PolarHBondContact OD1-NZ 3.3Å; L803-K835 HydrophobicContact CD2-CB 3.82Å; F831-K835 HydrophobicContact CD1-CD 4.36Å; F831-K835 HydrophobicContact CE1-CD 3.62Å; F831-K835 HydrophobicContact CZ-CD 3.75Å; F831-K835 WeakPolarHBondContact O-CB 3.47Å; F831-K835 PolarHBondContact O-N 2.98Å; I833-K835 VanDerWaalsContact C-N 3.28Å; I833-K835 PolarHBondContact O-N 3.2Å; K835-K839 WeakPolarHBondContact O-CG 3.27Å
836F85.3Confident80.6Confident133 Ų13385.6 Ų85.658%0.58341%0.411SS*.Hα-helixtrans-70.7-54.6171.9-166-86.7000110.6D832 I833 S834 L838 K839D832-F836 PolarHBondContact O-N 3.02Å; I833-F836 WeakPolarHBondContact O-CB 3.48Å; I833-F836 PolarHBondContact O-N 2.77Å; S834-F836 PolarHBondContact O-N 3.41Å; F836-L838 PolarHBondContact O-N 3.04Å; F836-L838 VanDerWaalsContact O-N 3.13Å; F836-K839 WeakPolarHBondContact O-CB 3.36Å; F836-K839 PolarHBondContact O-N 2.94Å
837Y81Confident80.6Confident135 Ų13586.8 Ų86.853%0.52942%0.417SS..Hα-helixtrans-54.6-33.3177.3-74.1-69.9000113.6I833 S834 K839 N858I833-Y837 HydrophobicContact CG2-CD2 4.05Å; I833-Y837 HydrophobicContact CG2-CE2 3.71Å; I833-Y837 WeakPolarHBondContact O-CD2 3.35Å; I833-Y837 PolarHBondContact O-N 2.88Å; S834-Y837 PolarHBondContact O-N 3.13Å; Y837-K839 VanDerWaalsContact C-N 3.34Å; Y837-K839 PolarHBondContact O-N 3.34Å; Y837-N858 WeakPolarHBondContact CE2-ND2 3.41Å
838L81.8Confident80.4Confident26 Ų2689.5 Ų89.514%0.13643%0.426CS..G310 helixtrans-78.6-9.4-179.1-65.3163.1000114.5L803 S834 F836 L841 L847 E850 M851L803-L838 HydrophobicContact CD1-CD1 3.9Å; L803-L838 HydrophobicContact CD2-CD1 3.79Å; L803-L838 HydrophobicContact CG-CD1 4.43Å; S834-L838 VanDerWaalsContact O-CD1 3.3Å; S834-L838 WeakPolarHBondContact O-CD1 3.36Å; S834-L838 WeakPolarHBondContact O-CG 3.44Å; S834-L838 PolarHBondContact O-N 3.28Å; S834-L838 VanDerWaalsContact O-N 3.09Å; F836-L838 PolarHBondContact O-N 3.04Å; F836-L838 VanDerWaalsContact O-N 3.13Å; L838-L841 HydrophobicContact CD2-CD1 3.66Å; L838-L847 HydrophobicContact CD2-CD1 4.05Å; L838-E850 HydrophobicContact CD2-CB 4.26Å; L838-M851 HydrophobicContact CD1-CB 4.31Å; L838-M851 HydrophobicContact CD1-CE 4.45Å; L838-M851 HydrophobicContact CD1-CG 3.55Å; L838-M851 HydrophobicContact CD2-CG 3.97Å; L838-M851 HydrophobicContact CG-CG 4.42Å
839K80.2Confident80.3Confident147 Ų14787.3 Ų87.364%0.63942%0.418SS*.G310 helixtrans-72.4-29.4177-78.4174.6-179.4179.50113.2K835 F836 Y837 L841K835-K839 WeakPolarHBondContact O-CG 3.27Å; F836-K839 WeakPolarHBondContact O-CB 3.36Å; F836-K839 PolarHBondContact O-N 2.94Å; Y837-K839 VanDerWaalsContact C-N 3.34Å; Y837-K839 PolarHBondContact O-N 3.34Å; K839-L841 VanDerWaalsContact C-N 3.27Å; K839-L841 PolarHBondContact O-N 3.04Å
840D70.6Confident80.4Confident125 Ų12585.1 Ų85.167%0.66841%0.413SS*.G310 helixtrans-83.8-4-174.8-61.5-32.5000113K842D840-K842 PolarHBondContact O-N 2.95Å; D840-K842 VanDerWaalsContact O-N 3.17Å
841L76.4Confident80.4Confident73 Ų7385.5 Ų85.538%0.38241%0.414SS..  trans-72.9104.5177.5-67-178.1000111.8L838 K839 T843 L847 E850L838-L841 HydrophobicContact CD2-CD1 3.66Å; K839-L841 VanDerWaalsContact C-N 3.27Å; K839-L841 PolarHBondContact O-N 3.04Å; L841-T843 PolarHBondContact O-N 2.96Å; L841-T843 VanDerWaalsContact O-N 3.16Å; L841-L847 HydrophobicContact CD1-CD1 3.87Å; L841-E850 HydrophobicContact CD1-CB 4.02Å; L841-E850 HydrophobicContact CD1-CG 4.46Å
842K64Low80.3Confident207 Ų20789 Ų8990%0.943%0.43SS*.SBendtrans-66-12.1-179.2-62.4-178.2-178.31770115.3D840D840-K842 PolarHBondContact O-N 2.95Å; D840-K842 VanDerWaalsContact O-N 3.17Å
843T67.2Low80.3Confident98 Ų9890.5 Ų90.560%0.60143%0.432SS*.  trans-141.8158.3176.387.50000111.1L841L841-T843 PolarHBondContact O-N 2.96Å; L841-T843 VanDerWaalsContact O-N 3.16Å
844S67.4Low80.3Confident58 Ų5889 Ų8941%0.40643%0.426SS..  trans-9816.3177.673.20000114.6R795R795-S844 PolarHBondContact NH2-OG 3.29Å
845R70.1Confident80.4Confident232 Ų23289 Ų8988%0.87543%0.426SS*.THydrogen-bonded Turntrans-75.3132.9171.4-71.8-175.2174.9-175.2-1.2108.6L847R845-L847 VanDerWaalsContact C-N 3.27Å; R845-L847 PolarHBondContact O-N 3.39Å
846G78.4Confident80.4Confident54 Ų5488.3 Ų88.356%0.55743%0.431SS*.THydrogen-bonded Turntrans73.36.7-179.100000116.2H848 E849 E850G846-H848 VanDerWaalsContact C-N 3.26Å; G846-H848 PolarHBondContact O-N 2.84Å; G846-H848 VanDerWaalsContact O-N 3.07Å; G846-E849 PolarHBondContact O-N 2.88Å; G846-E850 PolarHBondContact O-N 2.95Å
847L82.9Confident80.4Confident24 Ų2485.5 Ų85.513%0.12643%0.428CS..Hα-helixtrans-53.8-35.2-169.8-177.861.9000114.7H799 L838 L841 R845 E850 M851H799-L847 VanDerWaalsContact CE1-CD2 3.5Å; H799-L847 WeakPolarHBondContact CE1-CD2 3.27Å; H799-L847 WeakPolarHBondContact ND1-CD2 3.43Å; L838-L847 HydrophobicContact CD2-CD1 4.05Å; L841-L847 HydrophobicContact CD1-CD1 3.87Å; R845-L847 VanDerWaalsContact C-N 3.27Å; R845-L847 PolarHBondContact O-N 3.39Å; L847-E850 PolarHBondContact O-N 3.46Å; L847-M851 HydrophobicContact CD1-CE 4.23Å; L847-M851 HydrophobicContact CD1-CG 4.41Å; L847-M851 HydrophobicContact CD2-CE 3.99Å; L847-M851 HydrophobicContact CG-CE 3.91Å; L847-M851 HydrophobicContact CG-CG 4.41Å; L847-M851 HydrophobicContact CG-SD 4.27Å; L847-M851 WeakPolarHBondContact O-CB 3.3Å; L847-M851 VanDerWaalsContact O-CG 3.23Å; L847-M851 WeakPolarHBondContact O-CG 3.5Å; L847-M851 PolarHBondContact O-N 2.9Å
848H83.1Confident80.7Confident88 Ų8879.9 Ų79.941%0.40741%0.407SS..Hα-helixtrans-63.6-40.9178.1-179.3-91000112.8M802 G846 M851 K852M802-H848 HydrophobicContact SD-CB 4.48Å; G846-H848 VanDerWaalsContact C-N 3.26Å; G846-H848 PolarHBondContact O-N 2.84Å; G846-H848 VanDerWaalsContact O-N 3.07Å; H848-M851 WeakPolarHBondContact O-CB 3.36Å; H848-M851 PolarHBondContact O-N 3.2Å; H848-K852 WeakPolarHBondContact O-CB 3.39Å; H848-K852 PolarHBondContact O-N 3.21Å
849E85.6Confident81Confident93 Ų9378.6 Ų78.644%0.43540%0.4SS..Hα-helixtrans-75.9-34.9179.3-63.6-48.3112.100111.8G846 K852 K853G846-E849 PolarHBondContact O-N 2.88Å; E849-K852 PolarHBondContact O-N 3.26Å; E849-K852 WeakPolarHBondContact OE2-CD 3.39Å; E849-K852 IonicContact OE2-NZ 2.6Å; E849-K852 PolarHBondContact OE2-NZ 2.83Å; E849-K853 WeakPolarHBondContact O-CB 3.31Å; E849-K853 PolarHBondContact O-N 2.92Å
850E86.8Confident81.2Confident73 Ų7378.1 Ų78.134%0.34140%0.398SS..Hα-helixtrans-67.6-35171.1-69.2-60.8141.800112.1L838 L841 G846 L847 K853 A854L838-E850 HydrophobicContact CD2-CB 4.26Å; L841-E850 HydrophobicContact CD1-CB 4.02Å; L841-E850 HydrophobicContact CD1-CG 4.46Å; G846-E850 PolarHBondContact O-N 2.95Å; L847-E850 PolarHBondContact O-N 3.46Å; E850-K853 IonicContact OE1-NZ 3.56Å; E850-K853 PolarHBondContact OE1-NZ 2.88Å; E850-K853 IonicContact OE2-NZ 3.02Å; E850-K853 PolarHBondContact OE2-NZ 2.96Å; E850-A854 WeakPolarHBondContact O-CB 3.48Å; E850-A854 PolarHBondContact O-N 3.45Å
851M88.3Confident81.9Confident7 Ų778.8 Ų78.83%0.03440%0.397CS..Hα-helixtrans-59.4-48.3169.8-78.9175.4168.600111.8H799 M802 L803 I806 L838 L847 H848 A855H799-M851 HydrophobicContact CB-CE 4.1Å; H799-M851 WeakPolarHBondContact O-CE 3.5Å; M802-M851 HydrophobicContact CB-SD 4.43Å; M802-M851 HydrophobicContact CG-SD 3.98Å; M802-M851 HydrophobicContact SD-SD 4.14Å; L803-M851 HydrophobicContact CB-CE 4.18Å; L803-M851 HydrophobicContact CB-SD 4.25Å; L803-M851 HydrophobicContact CD1-CB 4.09Å; L803-M851 HydrophobicContact CD1-CG 4.09Å; I806-M851 HydrophobicContact CD1-CB 3.56Å; I806-M851 HydrophobicContact CD1-CG 4.42Å; I806-M851 HydrophobicContact CD1-SD 4.1Å; L838-M851 HydrophobicContact CD1-CB 4.31Å; L838-M851 HydrophobicContact CD1-CE 4.45Å; L838-M851 HydrophobicContact CD1-CG 3.55Å; L838-M851 HydrophobicContact CD2-CG 3.97Å; L838-M851 HydrophobicContact CG-CG 4.42Å; L847-M851 HydrophobicContact CD1-CE 4.23Å; L847-M851 HydrophobicContact CD1-CG 4.41Å; L847-M851 HydrophobicContact CD2-CE 3.99Å; L847-M851 HydrophobicContact CG-CE 3.91Å; L847-M851 HydrophobicContact CG-CG 4.41Å; L847-M851 HydrophobicContact CG-SD 4.27Å; L847-M851 WeakPolarHBondContact O-CB 3.3Å; L847-M851 VanDerWaalsContact O-CG 3.23Å; L847-M851 WeakPolarHBondContact O-CG 3.5Å; L847-M851 PolarHBondContact O-N 2.9Å; H848-M851 WeakPolarHBondContact O-CB 3.36Å; H848-M851 PolarHBondContact O-N 3.2Å; M851-A855 PolarHBondContact O-N 2.71Å
852K87.4Confident82.3Confident98 Ų9875.6 Ų75.643%0.42638%0.381SS..Hα-helixtrans-63.5-44.3179.2178.4176.5157.2-155.30112.1I806 H848 E849 A855 S856I806-K852 HydrophobicContact CG2-CB 4.25Å; H848-K852 WeakPolarHBondContact O-CB 3.39Å; H848-K852 PolarHBondContact O-N 3.21Å; E849-K852 PolarHBondContact O-N 3.26Å; E849-K852 WeakPolarHBondContact OE2-CD 3.39Å; E849-K852 IonicContact OE2-NZ 2.6Å; E849-K852 PolarHBondContact OE2-NZ 2.83Å; K852-A855 PolarHBondContact O-N 2.81Å; K852-S856 WeakPolarHBondContact O-CB 3.43Å; K852-S856 PolarHBondContact O-N 3.19Å; K852-S856 PolarHBondContact O-OG 3.33Å; K852-S856 VanDerWaalsContact O-OG 3.11Å
853K88.4Confident83.2Confident113 Ų11366.5 Ų66.549%0.49134%0.342SS..Hα-helixtrans-62.8-46.4176.2177.9177.1160.5-141.60112.3E849 E850 A855 S856 S857E849-K853 WeakPolarHBondContact O-CB 3.31Å; E849-K853 PolarHBondContact O-N 2.92Å; E850-K853 IonicContact OE1-NZ 3.56Å; E850-K853 PolarHBondContact OE1-NZ 2.88Å; E850-K853 IonicContact OE2-NZ 3.02Å; E850-K853 PolarHBondContact OE2-NZ 2.96Å; K853-A855 VanDerWaalsContact C-N 3.3Å; K853-A855 PolarHBondContact O-N 3.33Å; K853-S856 WeakPolarHBondContact CA-OG 3.41Å; K853-S856 PolarHBondContact O-N 3.05Å; K853-S856 PolarHBondContact O-OG 3.24Å; K853-S856 VanDerWaalsContact O-OG 3.11Å; K853-S857 WeakPolarHBondContact O-CB 3.46Å; K853-S857 PolarHBondContact O-N 2.92Å; K853-S857 PolarHBondContact O-OG 2.88Å
854A87.6Confident84Confident10 Ų1066.4 Ų66.48%0.08334%0.338CS..Hα-helixtrans-67.1-27.6176.500000113.2S834 E850 N858S834-A854 PolarHBondContact OG-O 2.88Å; E850-A854 WeakPolarHBondContact O-CB 3.48Å; E850-A854 PolarHBondContact O-N 3.45Å; A854-N858 PolarHBondContact O-ND2 3.18Å
855A88.9Confident84.8Confident0 Ų069.1 Ų69.10%034%0.339CS..Hα-helixtrans-74.7-47.3168.900000111.6I806 V807 T810 M851 K852 K853 S857 N858 V859I806-A855 HydrophobicContact CG2-CB 4.05Å; V807-A855 HydrophobicContact CG2-CB 4.42Å; T810-A855 HydrophobicContact CG2-CB 4.21Å; M851-A855 PolarHBondContact O-N 2.71Å; K852-A855 PolarHBondContact O-N 2.81Å; K853-A855 VanDerWaalsContact C-N 3.3Å; K853-A855 PolarHBondContact O-N 3.33Å; A855-S857 PolarHBondContact O-N 3.49Å; A855-N858 PolarHBondContact O-N 2.98Å; A855-V859 WeakPolarHBondContact O-CB 3.49Å; A855-V859 PolarHBondContact O-N 3.02Å
856S86.3Confident85.3Confident61 Ų6158.6 Ų58.643%0.42730%0.301SS..Hα-helixtrans-71-27.9-175600000114.6K852 K853K852-S856 WeakPolarHBondContact O-CB 3.43Å; K852-S856 PolarHBondContact O-N 3.19Å; K852-S856 PolarHBondContact O-OG 3.33Å; K852-S856 VanDerWaalsContact O-OG 3.11Å; K853-S856 WeakPolarHBondContact CA-OG 3.41Å; K853-S856 PolarHBondContact O-N 3.05Å; K853-S856 PolarHBondContact O-OG 3.24Å; K853-S856 VanDerWaalsContact O-OG 3.11Å
857S87.2Confident85.3Confident74 Ų7459.4 Ų59.452%0.51729%0.292SS..Hα-helixtrans-72-35.4175.463.80000112.5K853 A855K853-S857 WeakPolarHBondContact O-CB 3.46Å; K853-S857 PolarHBondContact O-N 2.92Å; K853-S857 PolarHBondContact O-OG 2.88Å; A855-S857 PolarHBondContact O-N 3.49Å
858N86.9Confident85Confident16 Ų1663 Ų639%0.08631%0.309CS..Hα-helixtrans-98-18.4-170.1-66.3-53.7000113.5L830 I833 Y837 A854 A855 K860 Q861 V862L830-N858 HydrophobicContact CD1-CB 3.71Å; I833-N858 HydrophobicContact CG2-CB 4.23Å; Y837-N858 WeakPolarHBondContact CE2-ND2 3.41Å; A854-N858 PolarHBondContact O-ND2 3.18Å; A855-N858 PolarHBondContact O-N 2.98Å; N858-K860 PolarHBondContact O-N 3.25Å; N858-Q861 PolarHBondContact O-N 2.76Å; N858-V862 WeakPolarHBondContact O-CG2 3.45Å; N858-V862 PolarHBondContact O-N 2.66Å; N858-V862 VanDerWaalsContact O-N 3.08Å
859V87.9Confident84.7Confident0 Ų064.3 Ų64.30%031%0.313CS..Hα-helixtrans-54.6-45.9-173.761.30000113.5T810 L811 H814 L830 A855 V862 V863T810-V859 HydrophobicContact CG2-CB 3.91Å; T810-V859 HydrophobicContact CG2-CG1 3.91Å; T810-V859 HydrophobicContact CG2-CG2 4.13Å; L811-V859 HydrophobicContact CD2-CG2 3.81Å; L811-V859 HydrophobicContact CG-CG2 4.46Å; H814-V859 HydrophobicContact CB-CG2 4.19Å; L830-V859 HydrophobicContact CD1-CB 4.49Å; L830-V859 HydrophobicContact CD2-CB 3.8Å; L830-V859 HydrophobicContact CD2-CG2 3.92Å; A855-V859 WeakPolarHBondContact O-CB 3.49Å; A855-V859 PolarHBondContact O-N 3.02Å; V859-V862 PolarHBondContact O-N 2.72Å; V859-V863 HydrophobicContact CG2-CG2 4.16Å; V859-V863 WeakPolarHBondContact O-CB 3.43Å; V859-V863 VanDerWaalsContact O-CG2 3.3Å; V859-V863 WeakPolarHBondContact O-CG2 3.39Å; V859-V863 PolarHBondContact O-N 2.7Å
860K84.3Confident83.8Confident136 Ų13662.4 Ų62.459%0.59131%0.31SS*.Hα-helixtrans-59.2-56.1-179-66-170.9177-173.10111.5N858 V862 V863 D864N858-K860 PolarHBondContact O-N 3.25Å; K860-V862 VanDerWaalsContact C-N 3.25Å; K860-V862 PolarHBondContact O-N 2.71Å; K860-V863 WeakPolarHBondContact O-CA 3.26Å; K860-V863 WeakPolarHBondContact O-CB 3.44Å; K860-V863 PolarHBondContact O-N 2.8Å; K860-D864 PolarHBondContact O-N 3.04Å; K860-D864 VanDerWaalsContact O-OD2 3.04Å
861Q83.9Confident82.5Confident140 Ų14063.1 Ų63.165%0.65432%0.323SS*.Hα-helixtrans-56.6-36.8178.5-63.5-179.1-1.200113.2N858 W865N858-Q861 PolarHBondContact O-N 2.76Å; Q861-W865 WeakPolarHBondContact O-CB 3.28Å; Q861-W865 PolarHBondContact O-N 2.7Å; Q861-W865 VanDerWaalsContact O-N 3.12Å
862V85.8Confident81.1Confident6 Ų669.9 Ų69.94%0.03635%0.352CS..Hα-helixtrans-69.8-41.3176173.30000111.6R829 L830 I833 N858 V859 K860 V866R829-V862 HydrophobicContact CB-CG1 3.91Å; R829-V862 HydrophobicContact CG-CG1 3.93Å; R829-V862 HydrophobicContact CG-CG2 4.47Å; L830-V862 HydrophobicContact CB-CG1 4.2Å; L830-V862 HydrophobicContact CD1-CG2 4.11Å; I833-V862 HydrophobicContact CD1-CG2 3.67Å; N858-V862 WeakPolarHBondContact O-CG2 3.45Å; N858-V862 PolarHBondContact O-N 2.66Å; N858-V862 VanDerWaalsContact O-N 3.08Å; V859-V862 PolarHBondContact O-N 2.72Å; K860-V862 VanDerWaalsContact C-N 3.25Å; K860-V862 PolarHBondContact O-N 2.71Å; V862-V866 HydrophobicContact CG1-CG2 4.5Å; V862-V866 WeakPolarHBondContact O-CB 3.48Å; V862-V866 VanDerWaalsContact O-CG2 3.25Å; V862-V866 WeakPolarHBondContact O-CG2 3.19Å; V862-V866 PolarHBondContact O-N 3.27Å
863V83.9Confident79.5Confident16 Ų1673.9 Ų73.910%0.09737%0.37CS..Hα-helixtrans-63.8-52.6176.4166.10000110.8L811 I816 V859 K860 W865 V866 L867L811-V863 HydrophobicContact CD2-CG2 4.04Å; I816-V863 HydrophobicContact CD1-CB 4.26Å; I816-V863 HydrophobicContact CD1-CG1 3.84Å; I816-V863 HydrophobicContact CD1-CG2 3.5Å; I816-V863 HydrophobicContact CG1-CG2 4.41Å; V859-V863 HydrophobicContact CG2-CG2 4.16Å; V859-V863 WeakPolarHBondContact O-CB 3.43Å; V859-V863 VanDerWaalsContact O-CG2 3.3Å; V859-V863 WeakPolarHBondContact O-CG2 3.39Å; V859-V863 PolarHBondContact O-N 2.7Å; K860-V863 WeakPolarHBondContact O-CA 3.26Å; K860-V863 WeakPolarHBondContact O-CB 3.44Å; K860-V863 PolarHBondContact O-N 2.8Å; V863-W865 VanDerWaalsContact C-N 3.32Å; V863-W865 PolarHBondContact O-N 3.38Å; V863-V866 PolarHBondContact O-N 3.14Å; V863-V866 VanDerWaalsContact O-N 3.16Å; V863-L867 HydrophobicContact CG1-CD1 3.67Å; V863-L867 HydrophobicContact CG1-CG 4.31Å; V863-L867 WeakPolarHBondContact O-CB 3.16Å; V863-L867 WeakPolarHBondContact O-CG 3.46Å; V863-L867 PolarHBondContact O-N 3.41Å
864D82.6Confident77.8Confident96 Ų9671.8 Ų71.851%0.51338%0.38SS..Hα-helixtrans-57.8-45.8-178.2-57-32.4000110.7K860 L867 E868K860-D864 PolarHBondContact O-N 3.04Å; K860-D864 VanDerWaalsContact O-OD2 3.04Å; D864-L867 PolarHBondContact O-N 3.36Å; D864-E868 WeakPolarHBondContact O-CB 3.32Å; D864-E868 PolarHBondContact O-N 3Å
865W84Confident75.5Confident114 Ų11485.9 Ų85.943%0.43243%0.431SS..Hα-helixtrans-66.6-36.7177.6-176.886000113.9Q861 V863 K869Q861-W865 WeakPolarHBondContact O-CB 3.28Å; Q861-W865 PolarHBondContact O-N 2.7Å; Q861-W865 VanDerWaalsContact O-N 3.12Å; V863-W865 VanDerWaalsContact C-N 3.32Å; V863-W865 PolarHBondContact O-N 3.38Å; W865-K869 HydrophobicContact CH2-CD 3.69Å; W865-K869 HydrophobicContact CZ2-CD 3.91Å; W865-K869 HydrophobicContact CZ3-CD 4Å; W865-K869 WeakPolarHBondContact O-CB 3.45Å; W865-K869 PolarHBondContact O-N 2.98Å; W865-K869 VanDerWaalsContact O-N 3.11Å
866V81.4Confident74.8Confident12 Ų1290.2 Ų90.27%0.07345%0.453CS..Hα-helixtrans-70.6-40.2176.2170.90000110.8C822 A825 V862 V863 K869 S870C822-V866 HydrophobicContact CB-CG1 3.82Å; A825-V866 HydrophobicContact CB-CG1 4Å; V862-V866 HydrophobicContact CG1-CG2 4.5Å; V862-V866 WeakPolarHBondContact O-CB 3.48Å; V862-V866 VanDerWaalsContact O-CG2 3.25Å; V862-V866 WeakPolarHBondContact O-CG2 3.19Å; V862-V866 PolarHBondContact O-N 3.27Å; V863-V866 PolarHBondContact O-N 3.14Å; V863-V866 VanDerWaalsContact O-N 3.16Å; V866-K869 PolarHBondContact O-N 3.2Å; V866-S870 PolarHBondContact O-N 3.09Å; V866-S870 PolarHBondContact O-OG 3.22Å
867L77.8Confident74.2Confident71 Ų7191.7 Ų91.737%0.37245%0.454SS..Hα-helixtrans-67-41.9177.2-69.4173.6000112.3V863 D864 K869 S870 S871V863-L867 HydrophobicContact CG1-CD1 3.67Å; V863-L867 HydrophobicContact CG1-CG 4.31Å; V863-L867 WeakPolarHBondContact O-CB 3.16Å; V863-L867 WeakPolarHBondContact O-CG 3.46Å; V863-L867 PolarHBondContact O-N 3.41Å; D864-L867 PolarHBondContact O-N 3.36Å; L867-K869 PolarHBondContact O-N 3.33Å; L867-S870 PolarHBondContact O-N 3.34Å; L867-S870 PolarHBondContact O-OG 2.94Å; L867-S870 VanDerWaalsContact O-OG 3.07Å; L867-S871 VanDerWaalsContact O-CB 3.29Å; L867-S871 WeakPolarHBondContact O-CB 3.38Å; L867-S871 PolarHBondContact O-N 2.8Å
868E76.6Confident73.5Confident100 Ų10092.7 Ų92.747%0.46745%0.451SS..Hα-helixtrans-61.2-38.3173.4-162.9-161163.500111D864 K872D864-E868 WeakPolarHBondContact O-CB 3.32Å; D864-E868 PolarHBondContact O-N 3Å; E868-K872 HydrophobicContact CG-CD 4.36Å; E868-K872 WeakPolarHBondContact O-CB 3.4Å; E868-K872 WeakPolarHBondContact O-CG 3.39Å; E868-K872 PolarHBondContact O-N 3.02Å; E868-K872 WeakPolarHBondContact OE1-CE 3.33Å; E868-K872 IonicContact OE1-NZ 2.6Å; E868-K872 PolarHBondContact OE1-NZ 3.27Å
869K77.6Confident72.7Confident114 Ų11497.2 Ų97.250%0.49647%0.472SS..Hα-helixtrans-77.8-29.3-178.8-171.8170.8-175.9174.70114.4W865 V866 L867W865-K869 HydrophobicContact CH2-CD 3.69Å; W865-K869 HydrophobicContact CZ2-CD 3.91Å; W865-K869 HydrophobicContact CZ3-CD 4Å; W865-K869 WeakPolarHBondContact O-CB 3.45Å; W865-K869 PolarHBondContact O-N 2.98Å; W865-K869 VanDerWaalsContact O-N 3.11Å; V866-K869 PolarHBondContact O-N 3.2Å; L867-K869 PolarHBondContact O-N 3.33Å
870S66.3Low71.8Confident53 Ų53103.3 Ų103.337%0.37150%0.502SS..Hα-helixtrans-74.2-42.2170.758.20000110.8V866 L867 K872 K873 G874V866-S870 PolarHBondContact O-N 3.09Å; V866-S870 PolarHBondContact O-OG 3.22Å; L867-S870 PolarHBondContact O-N 3.34Å; L867-S870 PolarHBondContact O-OG 2.94Å; L867-S870 VanDerWaalsContact O-OG 3.07Å; S870-K872 VanDerWaalsContact C-N 3.35Å; S870-K872 PolarHBondContact O-N 2.97Å; S870-K873 WeakPolarHBondContact O-CA 3.35Å; S870-K873 WeakPolarHBondContact O-CB 2.99Å; S870-K873 PolarHBondContact O-N 3.07Å; S870-G874 PolarHBondContact O-N 2.9Å
871S59.7Low71Confident89 Ų89101.1 Ų101.162%0.62250%0.496SS*.Hα-helixtrans-55.6-46.3172.3-178.20000112.2L867 K873 G874L867-S871 VanDerWaalsContact O-CB 3.29Å; L867-S871 WeakPolarHBondContact O-CB 3.38Å; L867-S871 PolarHBondContact O-N 2.8Å; S871-K873 PolarHBondContact O-N 2.92Å; S871-G874 PolarHBondContact O-N 3.35Å; S871-G874 VanDerWaalsContact O-N 3.09Å
872K58.7Low70Confident148 Ų14898.4 Ų98.464%0.64349%0.485SS*.THydrogen-bonded Turntrans-69.53.8174.3-73.7174.6173.8177.10115.4E868 S870E868-K872 HydrophobicContact CG-CD 4.36Å; E868-K872 WeakPolarHBondContact O-CB 3.4Å; E868-K872 WeakPolarHBondContact O-CG 3.39Å; E868-K872 PolarHBondContact O-N 3.02Å; E868-K872 WeakPolarHBondContact OE1-CE 3.33Å; E868-K872 IonicContact OE1-NZ 2.6Å; E868-K872 PolarHBondContact OE1-NZ 3.27Å; S870-K872 VanDerWaalsContact C-N 3.35Å; S870-K872 PolarHBondContact O-N 2.97Å
873K54Low68.8Low183 Ų183105.5 Ų105.580%0.79652%0.519SS*.THydrogen-bonded Turntrans-111-2171.1-95.9-167.1166-158.30113.8S870 S871S870-K873 WeakPolarHBondContact O-CA 3.35Å; S870-K873 WeakPolarHBondContact O-CB 2.99Å; S870-K873 PolarHBondContact O-N 3.07Å; S871-K873 PolarHBondContact O-N 2.92Å
874G53Low67.6Low69 Ų69112.9 Ų112.971%0.71155%0.554SS**  trans-106.325.8178.100000114.2S870 S871S870-G874 PolarHBondContact O-N 2.9Å; S871-G874 PolarHBondContact O-N 3.35Å; S871-G874 VanDerWaalsContact O-N 3.09Å
875R39Very low66.2Low306 Ų306114.5 Ų114.5100%1.15556%0.558SS**  trans-139.10173-78.4-168.9177.8-168.30.5109.7

Retrieved 875 of 875 residues in 428.4 ms (Link to these results)

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