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Acid sugar phosphatase

Catalyzes the dephosphorylation of 2-6 carbon acid sugars in vitro.

AlphaFold DB (Q2FZX0), UniProt , Accession Q99VE8, Species STAAM (Staphylococcus aureus (strain Mu50 / ATCC 700699)), Gene nagD, Length 259 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
1M87.7Confident95.8Very high39 Ų3933.5 Ų33.519%0.19215%0.152CC..  0152.20178.9-17713200109.3Y4 Y7 I224 Y245 F247 E256 L257M1-Y4 HydrophobicContact CE-CD2 3.78Å; M1-Y4 HydrophobicContact CE-CE2 3.8Å; M1-Y4 HydrophobicContact CG-CE2 4.46Å; M1-Y7 HydrophobicContact CE-CE1 4.04Å; M1-I224 HydrophobicContact CE-CD1 3.36Å; M1-I224 HydrophobicContact CE-CG1 4.29Å; M1-I224 HydrophobicContact SD-CD1 4.12Å; M1-Y245 HydrophobicContact CB-CD1 4.42Å; M1-Y245 HydrophobicContact CB-CE1 4.08Å; M1-Y245 HydrophobicContact CG-CD1 4.07Å; M1-Y245 HydrophobicContact CG-CD2 3.97Å; M1-Y245 HydrophobicContact CG-CE1 3.8Å; M1-Y245 HydrophobicContact CG-CE2 3.69Å; M1-Y245 HydrophobicContact CG-CG 4.14Å; M1-Y245 HydrophobicContact SD-CD2 4.38Å; M1-F247 HydrophobicContact SD-CE2 3.87Å; M1-F247 HydrophobicContact SD-CZ 4Å; M1-E256 HydrophobicContact CB-CG 3.55Å; M1-E256 PolarHBondContact N-OE1 2.62Å; M1-L257 HydrophobicContact CE-CD1 4.16Å; M1-L257 HydrophobicContact CE-CD2 3.45Å; M1-L257 VanDerWaalsContact CE-CD2 3.45Å; M1-L257 HydrophobicContact CE-CG 3.86Å; M1-L257 HydrophobicContact SD-CD2 4.14Å; M1-L257 HydrophobicContact SD-CG 4.17Å
2K90.1Very high95.5Very high88 Ų8836.8 Ų36.838%0.38317%0.172SC..  trans-63.1142.8172.2173.1177.8167.8-172.70110.5Y4 S200 Y245K2-Y4 HydrophobicContact CB-CE2 4.05Å; K2-Y4 HydrophobicContact CD-CE1 3.86Å; K2-Y4 HydrophobicContact CG-CE1 4.27Å; K2-Y4 HydrophobicContact CG-CE2 4.39Å; K2-Y4 VanDerWaalsContact O-CD2 3.28Å; K2-Y4 WeakPolarHBondContact O-CD2 3.48Å; K2-Y4 VanDerWaalsContact O-CE2 3.28Å; K2-Y4 WeakPolarHBondContact O-CE2 3.32Å; K2-S200 PolarHBondContact NZ-O 3.01Å; K2-Y245 PolarHBondContact N-OH 3.17Å; K2-Y245 VanDerWaalsContact N-OH 3.09Å
3Q92.8Very high95.3Very high104 Ų10434.1 Ų34.149%0.48616%0.159SC..  trans-81.4114.1171.6-64-70.53.100109.8L257Q3-L257 PolarHBondContact NE2-O 2.77Å
4Y97.1Very high95.4Very high8 Ų831.6 Ų31.63%0.03115%0.148CC..  trans-90.1152.2175.8-61.8-83.5000111M1 K2 Y7 A203 D222 Y245M1-Y4 HydrophobicContact CE-CD2 3.78Å; M1-Y4 HydrophobicContact CE-CE2 3.8Å; M1-Y4 HydrophobicContact CG-CE2 4.46Å; K2-Y4 HydrophobicContact CB-CE2 4.05Å; K2-Y4 HydrophobicContact CD-CE1 3.86Å; K2-Y4 HydrophobicContact CG-CE1 4.27Å; K2-Y4 HydrophobicContact CG-CE2 4.39Å; K2-Y4 VanDerWaalsContact O-CD2 3.28Å; K2-Y4 WeakPolarHBondContact O-CD2 3.48Å; K2-Y4 VanDerWaalsContact O-CE2 3.28Å; K2-Y4 WeakPolarHBondContact O-CE2 3.32Å; Y4-Y7 AromaticContact CD2-CE1 3.91Å; Y4-Y7 HydrophobicContact CD2-CE1 3.91Å; Y4-Y7 HydrophobicContact CG-CE1 4.31Å; Y4-A203 HydrophobicContact CD1-CB 3.84Å; Y4-A203 HydrophobicContact CD2-CB 3.69Å; Y4-A203 HydrophobicContact CE1-CB 3.99Å; Y4-A203 HydrophobicContact CE2-CB 3.86Å; Y4-A203 HydrophobicContact CG-CB 3.7Å; Y4-D222 HydrophobicContact CE1-CB 3.72Å; Y4-D222 WeakPolarHBondContact CE1-OD2 3.41Å; Y4-D222 WeakPolarHBondContact OH-CB 3.45Å; Y4-D222 PolarHBondContact OH-OD2 3.37Å; Y4-Y245 HydrophobicContact CE2-CE2 4.08Å; Y4-Y245 WeakPolarHBondContact OH-CE2 3.28Å
5K97.8Very high95.5Very high118 Ų11829.6 Ų29.651%0.51314%0.138SC..SBendtrans-82-22.3176.6-68.7-171.5178.6174.50112.8P38 L197 E201K5-P38 WeakPolarHBondContact O-CD 3.39Å; K5-L197 HydrophobicContact CB-CD1 3.92Å; K5-L197 HydrophobicContact CB-CD2 4.46Å; K5-L197 HydrophobicContact CD-CD2 4.12Å; K5-E201 HydrophobicContact CB-CB 4.21Å; K5-E201 HydrophobicContact CD-CB 4.14Å; K5-E201 HydrophobicContact CD-CG 4.39Å; K5-E201 WeakPolarHBondContact CD-OE1 3.5Å; K5-E201 WeakPolarHBondContact CE-OE1 3.43Å; K5-E201 HydrophobicContact CG-CB 4.26Å; K5-E201 PolarHBondContact N-O 3.18Å; K5-E201 IonicContact NZ-OE1 2.61Å; K5-E201 PolarHBondContact NZ-OE1 2.94Å
6A98.5Very high95.4Very high0 Ų028.2 Ų28.20%013%0.131CC..EExtended strand (participates in β ladder)trans-155.3167.5173.900000111.6P38 L195 L197 E201 V202 A203A6-P38 WeakPolarHBondContact CA-O 3.46Å; A6-P38 HydrophobicContact CB-CB 4.2Å; A6-P38 VanDerWaalsContact CB-O 3.24Å; A6-P38 WeakPolarHBondContact CB-O 3.47Å; A6-L195 HydrophobicContact CB-CD1 3.87Å; A6-L195 HydrophobicContact CB-CD2 3.92Å; A6-L195 HydrophobicContact CB-CG 4.48Å; A6-L197 HydrophobicContact CB-CD1 3.52Å; A6-E201 PolarHBondContact N-O 3.19Å; A6-V202 HydrophobicContact CB-CG1 4.42Å; A6-V202 HydrophobicContact CB-CG2 4.25Å; A6-V202 WeakPolarHBondContact O-CA 3.5Å; A6-A203 PolarHBondContact O-N 2.8Å
7Y98.5Very high95.1Very high0 Ų031.7 Ų31.70%015%0.149CC..EExtended strand (participates in β ladder)trans-129.7136.1177.8-63.7-88.4000111.4M1 Y4 F28 L32 I37 P38 H39 L40 A203 V205 I224 L257M1-Y7 HydrophobicContact CE-CE1 4.04Å; Y4-Y7 AromaticContact CD2-CE1 3.91Å; Y4-Y7 HydrophobicContact CD2-CE1 3.91Å; Y4-Y7 HydrophobicContact CG-CE1 4.31Å; Y7-F28 HydrophobicContact CD1-CZ 4.2Å; Y7-F28 HydrophobicContact CE1-CZ 4.4Å; Y7-F28 HydrophobicContact CG-CZ 4.28Å; Y7-L32 HydrophobicContact CD2-CD1 3.93Å; Y7-L32 HydrophobicContact CD2-CD2 3.47Å; Y7-L32 VanDerWaalsContact CD2-CD2 3.47Å; Y7-L32 HydrophobicContact CD2-CG 4.38Å; Y7-L32 HydrophobicContact CE2-CD2 3.47Å; Y7-L32 VanDerWaalsContact CE2-CD2 3.47Å; Y7-L32 HydrophobicContact CG-CD1 4.39Å; Y7-I37 HydrophobicContact CD2-CG2 3.88Å; Y7-I37 HydrophobicContact CE2-CG2 3.87Å; Y7-P38 PolarHBondContact N-O 2.83Å; Y7-H39 CarbonylContact O-C 3.53Å; Y7-H39 WeakPolarHBondContact O-CA 3.47Å; Y7-H39 WeakPolarHBondContact O-CB 3.45Å; Y7-L40 PolarHBondContact O-N 3.14Å; Y7-A203 WeakPolarHBondContact CA-O 3.36Å; Y7-A203 HydrophobicContact CD1-CB 4Å; Y7-A203 HydrophobicContact CE1-CB 4.08Å; Y7-V205 HydrophobicContact CD1-CG2 3.91Å; Y7-I224 HydrophobicContact CD1-CD1 4.1Å; Y7-I224 HydrophobicContact CE1-CD1 3.71Å; Y7-L257 WeakPolarHBondContact OH-CD2 3.22Å
8L98.6Very high94.6Very high0 Ų032.4 Ų32.40%017%0.166CC..EExtended strand (participates in β ladder)trans-96.7130.1162.8-59.2-174.4000107.4L40 V42 M188 A191 L195 V202 A203 M204 V205 M221L8-L40 CarbonylContact C-O 3.54Å; L8-L40 WeakPolarHBondContact CA-O 3.18Å; L8-L40 HydrophobicContact CD2-CB 3.83Å; L8-L40 HydrophobicContact CD2-CD1 4.16Å; L8-L40 HydrophobicContact CD2-CG 4.34Å; L8-V42 HydrophobicContact CB-CG2 3.94Å; L8-V42 HydrophobicContact CD1-CG2 4.38Å; L8-V42 HydrophobicContact CD2-CG2 4Å; L8-V42 HydrophobicContact CG-CG2 4.32Å; L8-M188 HydrophobicContact CD1-CE 3.7Å; L8-M188 HydrophobicContact CD1-SD 4.24Å; L8-A191 HydrophobicContact CD1-CB 3.71Å; L8-A191 HydrophobicContact CD2-CB 3.67Å; L8-A191 HydrophobicContact CG-CB 4.36Å; L8-L195 HydrophobicContact CD2-CD1 3.68Å; L8-V202 HydrophobicContact CD1-CG1 4.47Å; L8-V202 HydrophobicContact CD2-CG1 4.45Å; L8-V202 HydrophobicContact CG-CG1 3.84Å; L8-A203 PolarHBondContact N-O 2.94Å; L8-M204 HydrophobicContact CB-SD 3.66Å; L8-M204 CarbonylContact O-C 3.6Å; L8-M204 WeakPolarHBondContact O-CA 3.43Å; L8-V205 PolarHBondContact O-N 3.27Å; L8-M221 HydrophobicContact CD1-CE 4.08Å; L8-M221 HydrophobicContact CD1-SD 4.47Å
9I98.5Very high94.2Very high0 Ų037.3 Ų37.30%020%0.198CC..EExtended strand (participates in β ladder)trans-127.8121.1-166.9-53.5175000109T14 M15 F28 I29 L32 H39 L40 Y41 V42 V205I9-T14 HydrophobicContact CG2-CG2 4.03Å; I9-M15 HydrophobicContact CG2-CG 4.01Å; I9-M15 HydrophobicContact CG2-SD 3.6Å; I9-M15 VanDerWaalsContact CG2-SD 3.6Å; I9-F28 HydrophobicContact CD1-CD1 4.23Å; I9-F28 HydrophobicContact CD1-CE1 3.87Å; I9-F28 HydrophobicContact CG1-CE1 4.46Å; I9-I29 HydrophobicContact CD1-CD1 3.6Å; I9-L32 HydrophobicContact CD1-CD1 3.98Å; I9-H39 HydrophobicContact CD1-CB 3.86Å; I9-L40 PolarHBondContact N-O 2.84Å; I9-Y41 HydrophobicContact CB-CD1 4.31Å; I9-Y41 HydrophobicContact CG2-CD1 4.45Å; I9-Y41 CarbonylContact O-C 3.58Å; I9-Y41 VanDerWaalsContact O-CA 3.25Å; I9-Y41 WeakPolarHBondContact O-CA 3.32Å; I9-V42 PolarHBondContact O-N 2.8Å; I9-V205 HydrophobicContact CG1-CB 4.41Å; I9-V205 HydrophobicContact CG1-CG2 4.37Å
10D97.6Very high94Very high11 Ų1141.2 Ų41.26%0.05922%0.219CC..  trans-66.2163168.3176.758.2000111.7D12 T14 M15 K182 M204 V205D10-D12 PolarHBondContact OD2-N 3.2Å; D10-D12 VanDerWaalsContact OD2-O 3.12Å; D10-T14 WeakPolarHBondContact O-CB 3.46Å; D10-T14 PolarHBondContact OD2-OG1 3.44Å; D10-M15 VanDerWaalsContact O-CG 3.32Å; D10-M15 WeakPolarHBondContact O-CG 3.41Å; D10-K182 VanDerWaalsContact CG-NZ 3.31Å; D10-K182 IonicContact OD1-NZ 2.61Å; D10-K182 PolarHBondContact OD1-NZ 3.25Å; D10-M204 HydrophobicContact CB-CE 3.9Å; D10-V205 PolarHBondContact N-O 2.61Å
11L96.5Very high94Very high1 Ų144.9 Ų44.91%0.00524%0.235CC..  trans-104.7-65.3179.9-66.4-179.5000113.6G13 T14 M15 Y16 Y41 T43 V53 L57L11-G13 PolarHBondContact O-N 3.26Å; L11-T14 PolarHBondContact O-N 3.15Å; L11-M15 HydrophobicContact CD2-CB 4.3Å; L11-M15 HydrophobicContact CD2-CG 3.98Å; L11-M15 PolarHBondContact O-N 3Å; L11-Y16 HydrophobicContact CB-CE1 4.17Å; L11-Y16 HydrophobicContact CD2-CE1 4.34Å; L11-Y16 PolarHBondContact O-N 3.32Å; L11-Y41 HydrophobicContact CD2-CD1 3.53Å; L11-Y41 HydrophobicContact CD2-CE1 4.37Å; L11-Y41 HydrophobicContact CD2-CG 3.97Å; L11-T43 HydrophobicContact CD1-CG2 3.94Å; L11-V53 HydrophobicContact CD1-CG1 3.54Å; L11-L57 HydrophobicContact CD2-CD1 4.14Å; L11-L57 HydrophobicContact CD2-CD2 4.05Å
12D93Very high94.4Very high73 Ų7344 Ų4439%0.3923%0.23SC..BIsolated β-bridgetrans-76.8110.5-171.3-71.5-83.8000110.4D10 Y16D10-D12 PolarHBondContact OD2-N 3.2Å; D10-D12 VanDerWaalsContact OD2-O 3.12Å; D12-Y16 WeakPolarHBondContact OD1-CE2 3.36Å
13G92.4Very high94.7Very high1 Ų144.9 Ų44.91%0.0124%0.239CC..THydrogen-bonded Turntrans100.3-16.2-173.600000114.1L11 Y16 M17 I22 D207 T228 G229L11-G13 PolarHBondContact O-N 3.26Å; G13-Y16 PolarHBondContact N-O 3.17Å; G13-M17 WeakPolarHBondContact CA-SD 3.44Å; G13-I22 WeakPolarHBondContact O-CD1 3.34Å; G13-D207 WeakPolarHBondContact CA-OD1 3.37Å; G13-T228 CarbonylContact O-C 3.44Å; G13-T228 WeakPolarHBondContact O-CB 3.24Å; G13-T228 PolarHBondContact O-OG1 2.77Å; G13-G229 PolarHBondContact O-N 2.69Å
14T96.2Very high94.8Very high0 Ų039.9 Ų39.90%022%0.216CC..THydrogen-bonded Turntrans-111.4-50.1-178-59.90000112.3I9 D10 L11 V205 G206 D207 V226I9-T14 HydrophobicContact CG2-CG2 4.03Å; D10-T14 WeakPolarHBondContact O-CB 3.46Å; D10-T14 PolarHBondContact OD2-OG1 3.44Å; L11-T14 PolarHBondContact O-N 3.15Å; T14-V205 HydrophobicContact CG2-CG1 4.11Å; T14-G206 WeakPolarHBondContact OG1-CA 3.47Å; T14-D207 PolarHBondContact OG1-N 3.15Å; T14-D207 PolarHBondContact OG1-OD1 2.91Å; T14-V226 HydrophobicContact CG2-CG2 4.12Å
15M97.1Very high94.9Very high1 Ų139.6 Ų39.61%0.00522%0.216CC..THydrogen-bonded Turntrans-99-30.6179.6-60.4-52.4-65.100112.7I9 D10 L11 A25 I29 Y41 L57 I62 L250I9-M15 HydrophobicContact CG2-CG 4.01Å; I9-M15 HydrophobicContact CG2-SD 3.6Å; I9-M15 VanDerWaalsContact CG2-SD 3.6Å; D10-M15 VanDerWaalsContact O-CG 3.32Å; D10-M15 WeakPolarHBondContact O-CG 3.41Å; L11-M15 HydrophobicContact CD2-CB 4.3Å; L11-M15 HydrophobicContact CD2-CG 3.98Å; L11-M15 PolarHBondContact O-N 3Å; M15-A25 HydrophobicContact CE-CB 3.71Å; M15-A25 WeakPolarHBondContact O-CB 3.26Å; M15-A25 HydrophobicContact SD-CB 4.14Å; M15-I29 HydrophobicContact CE-CD1 3.88Å; M15-I29 HydrophobicContact CE-CG1 3.37Å; M15-Y41 HydrophobicContact CE-CE1 4.28Å; M15-Y41 HydrophobicContact CG-CE1 4.42Å; M15-L57 HydrophobicContact CB-CD2 4.29Å; M15-I62 HydrophobicContact CB-CD1 4.4Å; M15-I62 HydrophobicContact CE-CD1 3.77Å; M15-I62 HydrophobicContact CE-CG1 4.35Å; M15-I62 HydrophobicContact CE-CG2 4.27Å; M15-L250 HydrophobicContact SD-CD1 4.15Å
16Y94.6Very high94.8Very high7 Ų737.5 Ų37.53%0.02721%0.206CC..EExtended strand (participates in β ladder)trans-158.1162.117850.5-107000111.8L11 D12 G13 D20 K56 L57 M60L11-Y16 HydrophobicContact CB-CE1 4.17Å; L11-Y16 HydrophobicContact CD2-CE1 4.34Å; L11-Y16 PolarHBondContact O-N 3.32Å; D12-Y16 WeakPolarHBondContact OD1-CE2 3.36Å; G13-Y16 PolarHBondContact N-O 3.17Å; Y16-D20 WeakPolarHBondContact CA-O 3.44Å; Y16-D20 WeakPolarHBondContact CB-O 3.31Å; Y16-K56 HydrophobicContact CE1-CD 4.27Å; Y16-K56 HydrophobicContact CE2-CD 4.38Å; Y16-L57 HydrophobicContact CD1-CD2 4.01Å; Y16-L57 HydrophobicContact CE1-CD2 3.75Å; Y16-L57 HydrophobicContact CE1-CG 4.47Å; Y16-M60 WeakPolarHBondContact CB-SD 3.26Å; Y16-M60 HydrophobicContact CD1-CE 4.22Å; Y16-M60 HydrophobicContact CD1-SD 3.43Å; Y16-M60 WeakPolarHBondContact CD1-SD 3.45Å; Y16-M60 HydrophobicContact CD2-CE 4.48Å; Y16-M60 HydrophobicContact CE1-SD 4.35Å; Y16-M60 HydrophobicContact CG-CE 3.9Å; Y16-M60 HydrophobicContact CG-SD 3.6Å; Y16-M60 VanDerWaalsContact CG-SD 3.6Å
17M89.3Confident94.8Very high88 Ų8840.9 Ų40.943%0.43322%0.222SC..EExtended strand (participates in β ladder)trans-117.499.9170.1-77.8-60.8-83.200110.4G13 T19 D20 I22G13-M17 WeakPolarHBondContact CA-SD 3.44Å; M17-T19 PolarHBondContact O-N 3.48Å; M17-D20 PolarHBondContact N-O 2.96Å; M17-D20 PolarHBondContact O-N 3.47Å; M17-I22 HydrophobicContact CG-CD1 4.01Å; M17-I22 HydrophobicContact CG-CG1 4.27Å
18G86.1Confident94.8Very high44 Ų4441 Ų4145%0.45422%0.222SC..THydrogen-bonded Turntrans63.9-104.1-175.700000111.3K56G18-K56 WeakPolarHBondContact O-CE 3.47Å; G18-K56 PolarHBondContact O-NZ 2.76Å
19T87.3Confident94.8Very high126 Ų12641 Ų4177%0.77322%0.222SC*.THydrogen-bonded Turntrans-105.5-7174.253.60000113.4M17M17-T19 PolarHBondContact O-N 3.48Å
20D90.6Very high94.8Very high114 Ų11443.6 Ų43.661%0.6124%0.237SC*.EExtended strand (participates in β ladder)trans-88.3135.1-176.1-61-25.5000110.4Y16 M17Y16-D20 WeakPolarHBondContact CA-O 3.44Å; Y16-D20 WeakPolarHBondContact CB-O 3.31Å; M17-D20 PolarHBondContact N-O 2.96Å; M17-D20 PolarHBondContact O-N 3.47Å
21E93.8Very high94.8Very high119 Ų11944.4 Ų44.456%0.55624%0.239SC*.EExtended strand (participates in β ladder)trans-71.2139.4174.5-65.4174.4-146.200110.7M60 H61E21-M60 HydrophobicContact CG-CB 4.09Å; E21-M60 HydrophobicContact CG-CG 4.14Å; E21-H61 IonicContact OE1-CD2 2.71Å
22I95.4Very high94.8Very high20 Ų2044.3 Ų44.310%0.10324%0.239CC..PPolyproline II helixtrans-95.5122.6170.5-68.5172.5000108.6G13 M17 G24 A25 T228G13-I22 WeakPolarHBondContact O-CD1 3.34Å; M17-I22 HydrophobicContact CG-CD1 4.01Å; M17-I22 HydrophobicContact CG-CG1 4.27Å; I22-G24 PolarHBondContact O-N 3.33Å; I22-A25 HydrophobicContact CB-CB 4.33Å; I22-A25 WeakPolarHBondContact O-CB 3.49Å; I22-A25 PolarHBondContact O-N 2.87Å; I22-A25 VanDerWaalsContact O-N 3.16Å; I22-T228 HydrophobicContact CG2-CG2 3.74Å
23D96.2Very high95Very high107 Ų10743.3 Ų43.357%0.57223%0.233SC*.THydrogen-bonded Turntrans-61.7134.7173.9-174.740000111Q27 N251D23-Q27 PolarHBondContact OD1-NE2 3.1Å; D23-N251 PolarHBondContact OD2-ND2 2.84Å; D23-N251 VanDerWaalsContact OD2-ND2 3.07Å
24G96.9Very high95.3Very high0 Ų049.1 Ų49.10%027%0.268CS..THydrogen-bonded Turntrans95.6-23.3-173.900000113.9I22 Q27 F28 N251I22-G24 PolarHBondContact O-N 3.33Å; G24-Q27 PolarHBondContact O-N 3.42Å; G24-F28 VanDerWaalsContact O-CB 3.25Å; G24-F28 WeakPolarHBondContact O-CB 3.26Å; G24-F28 PolarHBondContact O-N 3.07Å; G24-N251 WeakPolarHBondContact CA-ND2 3.22Å; G24-N251 WeakPolarHBondContact CA-OD1 3.21Å; G24-N251 PolarHBondContact N-ND2 3.4Å
25A97.3Very high95.3Very high2 Ų255.1 Ų55.12%0.01729%0.294CS..Hα-helixtrans-61.5-55.3179.400000111.7M15 I22 Q27 F28 I29 I62 L250M15-A25 HydrophobicContact CE-CB 3.71Å; M15-A25 WeakPolarHBondContact O-CB 3.26Å; M15-A25 HydrophobicContact SD-CB 4.14Å; I22-A25 HydrophobicContact CB-CB 4.33Å; I22-A25 WeakPolarHBondContact O-CB 3.49Å; I22-A25 PolarHBondContact O-N 2.87Å; I22-A25 VanDerWaalsContact O-N 3.16Å; A25-Q27 VanDerWaalsContact C-N 3.34Å; A25-Q27 PolarHBondContact O-N 2.82Å; A25-F28 PolarHBondContact O-N 2.64Å; A25-I29 WeakPolarHBondContact O-CG1 3.32Å; A25-I29 PolarHBondContact O-N 3.15Å; A25-I62 HydrophobicContact CB-CD1 4.36Å; A25-L250 HydrophobicContact CB-CD1 4.39Å
26K97.5Very high95.3Very high74 Ų7458.1 Ų58.132%0.32233%0.325SS..Hα-helixtrans-58-47.2175.5-177.3-169.6-174.2-37.70111.5F28 I29 D30 H61 I62K26-F28 VanDerWaalsContact C-N 3.26Å; K26-F28 PolarHBondContact O-N 2.95Å; K26-I29 PolarHBondContact O-N 3.31Å; K26-D30 IonicContact NZ-OD1 3.92Å; K26-D30 PolarHBondContact NZ-OD1 2.89Å; K26-D30 IonicContact NZ-OD2 2.77Å; K26-D30 PolarHBondContact NZ-OD2 3.13Å; K26-D30 WeakPolarHBondContact O-CB 3.45Å; K26-D30 VanDerWaalsContact O-CG 3.3Å; K26-D30 PolarHBondContact O-N 2.74Å; K26-H61 HydrophobicContact CD-CB 4.04Å; K26-H61 WeakPolarHBondContact CE-O 3.35Å; K26-H61 WeakPolarHBondContact CG-O 3.36Å; K26-I62 HydrophobicContact CB-CG1 4.26Å
27Q97.9Very high95.4Very high70 Ų7059 Ų5933%0.32733%0.33SS..Hα-helixtrans-60.9-37.8-177.2-64.489.1-36.900111.6D23 G24 A25 Y31 I254D23-Q27 PolarHBondContact OD1-NE2 3.1Å; G24-Q27 PolarHBondContact O-N 3.42Å; A25-Q27 VanDerWaalsContact C-N 3.34Å; A25-Q27 PolarHBondContact O-N 2.82Å; Q27-Y31 VanDerWaalsContact O-CB 3.3Å; Q27-Y31 WeakPolarHBondContact O-CB 3.15Å; Q27-Y31 PolarHBondContact O-N 3.16Å; Q27-I254 HydrophobicContact CB-CD1 3.78Å
28F98.1Very high95.9Very high2 Ų258.1 Ų58.11%0.00933%0.331CS..Hα-helixtrans-67.6-46.1178.4-172.8-114.5000111.3Y7 I9 G24 A25 K26 Y31 L32 V205 L250 I254 L257Y7-F28 HydrophobicContact CD1-CZ 4.2Å; Y7-F28 HydrophobicContact CE1-CZ 4.4Å; Y7-F28 HydrophobicContact CG-CZ 4.28Å; I9-F28 HydrophobicContact CD1-CD1 4.23Å; I9-F28 HydrophobicContact CD1-CE1 3.87Å; I9-F28 HydrophobicContact CG1-CE1 4.46Å; G24-F28 VanDerWaalsContact O-CB 3.25Å; G24-F28 WeakPolarHBondContact O-CB 3.26Å; G24-F28 PolarHBondContact O-N 3.07Å; A25-F28 PolarHBondContact O-N 2.64Å; K26-F28 VanDerWaalsContact C-N 3.26Å; K26-F28 PolarHBondContact O-N 2.95Å; F28-Y31 WeakPolarHBondContact O-CB 3.31Å; F28-Y31 PolarHBondContact O-N 3.24Å; F28-L32 HydrophobicContact CD1-CD1 4.07Å; F28-L32 HydrophobicContact CE1-CD1 3.7Å; F28-L32 HydrophobicContact CE1-CG 4.38Å; F28-L32 HydrophobicContact CZ-CD1 4.08Å; F28-L32 HydrophobicContact CZ-CD2 4.37Å; F28-L32 HydrophobicContact CZ-CG 4.42Å; F28-L32 WeakPolarHBondContact O-CG 3.37Å; F28-L32 PolarHBondContact O-N 3.37Å; F28-V205 HydrophobicContact CE1-CG2 4.39Å; F28-V205 HydrophobicContact CZ-CG2 4.47Å; F28-L250 HydrophobicContact CB-CB 3.97Å; F28-L250 HydrophobicContact CB-CD1 4.07Å; F28-L250 HydrophobicContact CB-CG 4.41Å; F28-L250 HydrophobicContact CD1-CD1 4.22Å; F28-L250 HydrophobicContact CD1-CD2 4Å; F28-L250 HydrophobicContact CD2-CD2 4.3Å; F28-L250 HydrophobicContact CE1-CD2 4.25Å; F28-L250 HydrophobicContact CG-CB 4.31Å; F28-L250 HydrophobicContact CG-CD1 4.3Å; F28-L250 HydrophobicContact CG-CD2 4.02Å; F28-L250 HydrophobicContact CG-CG 4.45Å; F28-I254 HydrophobicContact CB-CD1 4.12Å; F28-I254 HydrophobicContact CB-CG1 4.39Å; F28-I254 HydrophobicContact CD2-CD1 4.4Å; F28-I254 HydrophobicContact CD2-CG1 3.75Å; F28-L257 HydrophobicContact CE2-CD1 3.97Å
29I98.3Very high96.5Very high0 Ų056.3 Ų56.30%031%0.311CS..Hα-helixtrans-65.1-42.5176.8-59.8-54.6000111.4I9 M15 A25 K26 Y31 L32 N33 Y41 I62 D63I9-I29 HydrophobicContact CD1-CD1 3.6Å; M15-I29 HydrophobicContact CE-CD1 3.88Å; M15-I29 HydrophobicContact CE-CG1 3.37Å; A25-I29 WeakPolarHBondContact O-CG1 3.32Å; A25-I29 PolarHBondContact O-N 3.15Å; K26-I29 PolarHBondContact O-N 3.31Å; I29-Y31 VanDerWaalsContact C-N 3.31Å; I29-Y31 PolarHBondContact O-N 3.46Å; I29-L32 HydrophobicContact CD1-CD1 4.45Å; I29-L32 PolarHBondContact O-N 3.22Å; I29-N33 WeakPolarHBondContact O-CB 3.46Å; I29-N33 PolarHBondContact O-N 3.46Å; I29-N33 PolarHBondContact O-ND2 2.95Å; I29-Y41 HydrophobicContact CD1-CE1 3.93Å; I29-Y41 WeakPolarHBondContact CD1-OH 3.5Å; I29-Y41 HydrophobicContact CG1-CE1 4.46Å; I29-Y41 WeakPolarHBondContact CG1-OH 3.37Å; I29-I62 HydrophobicContact CB-CG2 4.11Å; I29-I62 HydrophobicContact CG1-CG2 3.86Å; I29-I62 HydrophobicContact CG2-CG2 4Å; I29-D63 WeakPolarHBondContact CG2-O 3.37Å
30D97.9Very high97Very high56 Ų5650.7 Ų50.730%0.29928%0.276SS..Hα-helixtrans-57.2-45.2172.8-73.4-10.4000111.1K26 N33 V34K26-D30 IonicContact NZ-OD1 3.92Å; K26-D30 PolarHBondContact NZ-OD1 2.89Å; K26-D30 IonicContact NZ-OD2 2.77Å; K26-D30 PolarHBondContact NZ-OD2 3.13Å; K26-D30 WeakPolarHBondContact O-CB 3.45Å; K26-D30 VanDerWaalsContact O-CG 3.3Å; K26-D30 PolarHBondContact O-N 2.74Å; D30-N33 PolarHBondContact O-N 3.45Å; D30-V34 WeakPolarHBondContact O-CB 3.23Å; D30-V34 VanDerWaalsContact O-CG2 3.24Å; D30-V34 WeakPolarHBondContact O-CG2 3.45Å; D30-V34 PolarHBondContact O-N 2.68Å
31Y97.7Very high97.4Very high27 Ų2745.3 Ų45.311%0.10625%0.247CC..Hα-helixtrans-59.2-49177.2172.3-89.5000111.5Q27 F28 I29 N33 V34 K35 I37 I254 L257 E258Q27-Y31 VanDerWaalsContact O-CB 3.3Å; Q27-Y31 WeakPolarHBondContact O-CB 3.15Å; Q27-Y31 PolarHBondContact O-N 3.16Å; F28-Y31 WeakPolarHBondContact O-CB 3.31Å; F28-Y31 PolarHBondContact O-N 3.24Å; I29-Y31 VanDerWaalsContact C-N 3.31Å; I29-Y31 PolarHBondContact O-N 3.46Å; Y31-N33 PolarHBondContact O-N 3.15Å; Y31-V34 PolarHBondContact O-N 3.47Å; Y31-K35 HydrophobicContact CE1-CG 4.25Å; Y31-K35 HydrophobicContact CE2-CG 4.18Å; Y31-K35 WeakPolarHBondContact O-CB 3.19Å; Y31-K35 VanDerWaalsContact O-CG 3.23Å; Y31-K35 WeakPolarHBondContact O-CG 3.28Å; Y31-K35 PolarHBondContact O-N 2.88Å; Y31-I37 HydrophobicContact CE1-CD1 4.39Å; Y31-I254 HydrophobicContact CD2-CG2 3.93Å; Y31-I254 HydrophobicContact CE2-CG2 4.37Å; Y31-I254 HydrophobicContact CG-CG2 4.27Å; Y31-L257 HydrophobicContact CE1-CB 4.4Å; Y31-L257 HydrophobicContact CE1-CD1 4.08Å; Y31-E258 HydrophobicContact CE2-CG 3.79Å
32L97.9Very high97.6Very high0 Ų039.6 Ų39.60%022%0.221CC..Hα-helixtrans-61.3-45.1178.1-64.6-178.1000111.4Y7 I9 F28 I29 K35 G36 I37 H39Y7-L32 HydrophobicContact CD2-CD1 3.93Å; Y7-L32 HydrophobicContact CD2-CD2 3.47Å; Y7-L32 VanDerWaalsContact CD2-CD2 3.47Å; Y7-L32 HydrophobicContact CD2-CG 4.38Å; Y7-L32 HydrophobicContact CE2-CD2 3.47Å; Y7-L32 VanDerWaalsContact CE2-CD2 3.47Å; Y7-L32 HydrophobicContact CG-CD1 4.39Å; I9-L32 HydrophobicContact CD1-CD1 3.98Å; F28-L32 HydrophobicContact CD1-CD1 4.07Å; F28-L32 HydrophobicContact CE1-CD1 3.7Å; F28-L32 HydrophobicContact CE1-CG 4.38Å; F28-L32 HydrophobicContact CZ-CD1 4.08Å; F28-L32 HydrophobicContact CZ-CD2 4.37Å; F28-L32 HydrophobicContact CZ-CG 4.42Å; F28-L32 WeakPolarHBondContact O-CG 3.37Å; F28-L32 PolarHBondContact O-N 3.37Å; I29-L32 HydrophobicContact CD1-CD1 4.45Å; I29-L32 PolarHBondContact O-N 3.22Å; L32-K35 CarbonylContact O-C 3.55Å; L32-K35 PolarHBondContact O-N 3.2Å; L32-G36 PolarHBondContact O-N 2.83Å; L32-I37 HydrophobicContact CB-CB 4.37Å; L32-I37 HydrophobicContact CD2-CB 3.95Å; L32-I37 HydrophobicContact CD2-CD1 4.03Å; L32-I37 HydrophobicContact CD2-CG2 3.94Å; L32-I37 PolarHBondContact O-N 2.94Å; L32-H39 HydrophobicContact CD1-CB 3.92Å
33N97.5Very high97.6Very high52 Ų5238.9 Ų38.928%0.27822%0.217SC..Hα-helixtrans-62.2-46.7178.4-77.8-25.4000112.4I29 D30 Y31 K35 G36 H39I29-N33 WeakPolarHBondContact O-CB 3.46Å; I29-N33 PolarHBondContact O-N 3.46Å; I29-N33 PolarHBondContact O-ND2 2.95Å; D30-N33 PolarHBondContact O-N 3.45Å; Y31-N33 PolarHBondContact O-N 3.15Å; N33-K35 VanDerWaalsContact C-N 3.26Å; N33-K35 PolarHBondContact O-N 2.71Å; N33-G36 PolarHBondContact O-N 3.39Å; N33-G36 VanDerWaalsContact O-N 3.08Å; N33-H39 PolarHBondContact OD1-CE1 2.75Å
34V97.2Very high97.6Very high123 Ų12334.2 Ų34.275%0.74519%0.192SC*.Hα-helixtrans-62.3-34.9177.7167.70000111.6D30 Y31 G36D30-V34 WeakPolarHBondContact O-CB 3.23Å; D30-V34 VanDerWaalsContact O-CG2 3.24Å; D30-V34 WeakPolarHBondContact O-CG2 3.45Å; D30-V34 PolarHBondContact O-N 2.68Å; Y31-V34 PolarHBondContact O-N 3.47Å; V34-G36 VanDerWaalsContact C-N 3.33Å
35K96.8Very high97.5Very high126 Ų12636.5 Ų36.555%0.54820%0.204SC..Hα-helixtrans-84-7.2177.3-63.9-70.5179.61720113.5Y31 L32 N33 I37Y31-K35 HydrophobicContact CE1-CG 4.25Å; Y31-K35 HydrophobicContact CE2-CG 4.18Å; Y31-K35 WeakPolarHBondContact O-CB 3.19Å; Y31-K35 VanDerWaalsContact O-CG 3.23Å; Y31-K35 WeakPolarHBondContact O-CG 3.28Å; Y31-K35 PolarHBondContact O-N 2.88Å; L32-K35 CarbonylContact O-C 3.55Å; L32-K35 PolarHBondContact O-N 3.2Å; N33-K35 VanDerWaalsContact C-N 3.26Å; N33-K35 PolarHBondContact O-N 2.71Å; K35-I37 VanDerWaalsContact C-N 3.29Å; K35-I37 HydrophobicContact CB-CD1 3.74Å; K35-I37 HydrophobicContact CB-CG1 3.78Å; K35-I37 HydrophobicContact CG-CD1 4.44Å
36G97Very high97.4Very high63 Ų6336.5 Ų36.565%0.64920%0.204SC*.THydrogen-bonded Turntrans64.233.1-175.100000113L32 N33 V34 P38L32-G36 PolarHBondContact O-N 2.83Å; N33-G36 PolarHBondContact O-N 3.39Å; N33-G36 VanDerWaalsContact O-N 3.08Å; V34-G36 VanDerWaalsContact C-N 3.33Å; G36-P38 WeakPolarHBondContact O-CD 3.26Å
37I97.8Very high97.3Very high26 Ų2634.4 Ų34.413%0.13320%0.197CC..  trans-89.8116.3178-60.6170.9000108.6Y7 Y31 L32 K35 H39Y7-I37 HydrophobicContact CD2-CG2 3.88Å; Y7-I37 HydrophobicContact CE2-CG2 3.87Å; Y31-I37 HydrophobicContact CE1-CD1 4.39Å; L32-I37 HydrophobicContact CB-CB 4.37Å; L32-I37 HydrophobicContact CD2-CB 3.95Å; L32-I37 HydrophobicContact CD2-CD1 4.03Å; L32-I37 HydrophobicContact CD2-CG2 3.94Å; L32-I37 PolarHBondContact O-N 2.94Å; K35-I37 VanDerWaalsContact C-N 3.29Å; K35-I37 HydrophobicContact CB-CD1 3.74Å; K35-I37 HydrophobicContact CB-CG1 3.78Å; K35-I37 HydrophobicContact CG-CD1 4.44Å; I37-H39 PolarHBondContact O-ND1 3.24Å
38P98.1Very high97.1Very high69 Ų6935.5 Ų35.545%0.44820%0.201SC..  trans-58.2145.9175.7-24.634.2000112.4K5 A6 Y7 G36 L195K5-P38 WeakPolarHBondContact O-CD 3.39Å; A6-P38 WeakPolarHBondContact CA-O 3.46Å; A6-P38 HydrophobicContact CB-CB 4.2Å; A6-P38 VanDerWaalsContact CB-O 3.24Å; A6-P38 WeakPolarHBondContact CB-O 3.47Å; Y7-P38 PolarHBondContact N-O 2.83Å; G36-P38 WeakPolarHBondContact O-CD 3.26Å; P38-L195 HydrophobicContact CB-CD2 3.98Å
39H98.4Very high97Very high7 Ų736.4 Ų36.43%0.03221%0.207CC..EExtended strand (participates in β ladder)trans-149.3154.4172.156.6-79.5000110.5Y7 I9 L32 N33 I37 Y41Y7-H39 CarbonylContact O-C 3.53Å; Y7-H39 WeakPolarHBondContact O-CA 3.47Å; Y7-H39 WeakPolarHBondContact O-CB 3.45Å; I9-H39 HydrophobicContact CD1-CB 3.86Å; L32-H39 HydrophobicContact CD1-CB 3.92Å; N33-H39 PolarHBondContact OD1-CE1 2.75Å; I37-H39 PolarHBondContact O-ND1 3.24Å; H39-Y41 AromaticContact CD2-CZ 3.92Å; H39-Y41 AromaticContact NE2-CZ 3.94Å; H39-Y41 PolarHBondContact NE2-OH 3.07Å
40L98.6Very high96.9Very high8 Ų837.3 Ų37.34%0.04221%0.213CC..EExtended strand (participates in β ladder)trans-128.9137.4173.3-60.7176.6000109.9Y7 L8 I9 E68 V70 A191 I194 L195Y7-L40 PolarHBondContact O-N 3.14Å; L8-L40 CarbonylContact C-O 3.54Å; L8-L40 WeakPolarHBondContact CA-O 3.18Å; L8-L40 HydrophobicContact CD2-CB 3.83Å; L8-L40 HydrophobicContact CD2-CD1 4.16Å; L8-L40 HydrophobicContact CD2-CG 4.34Å; I9-L40 PolarHBondContact N-O 2.84Å; L40-E68 CarbonylContact C-O 3.6Å; L40-E68 VanDerWaalsContact CA-O 3.23Å; L40-E68 WeakPolarHBondContact CA-O 3.28Å; L40-V70 HydrophobicContact CB-CG2 4.38Å; L40-V70 HydrophobicContact CD1-CG2 3.97Å; L40-A191 HydrophobicContact CD1-CB 4.19Å; L40-A191 WeakPolarHBondContact CD1-O 3.35Å; L40-I194 HydrophobicContact CD1-CB 3.92Å; L40-I194 HydrophobicContact CD1-CG2 3.78Å; L40-I194 HydrophobicContact CD2-CG2 4.17Å; L40-L195 HydrophobicContact CD1-CD1 4.33Å; L40-L195 HydrophobicContact CD1-CD2 4.14Å; L40-L195 HydrophobicContact CD1-CG 3.77Å; L40-L195 HydrophobicContact CG-CD2 4.01Å; L40-L195 HydrophobicContact CG-CG 4.17Å
41Y98.5Very high96.9Very high0 Ų039.4 Ų39.40%022%0.221CC..EExtended strand (participates in β ladder)trans-81.5119169.3-56.3-75.7000109.6I9 L11 M15 I29 H39 L57 A64 E68 V69 V70I9-Y41 HydrophobicContact CB-CD1 4.31Å; I9-Y41 HydrophobicContact CG2-CD1 4.45Å; I9-Y41 CarbonylContact O-C 3.58Å; I9-Y41 VanDerWaalsContact O-CA 3.25Å; I9-Y41 WeakPolarHBondContact O-CA 3.32Å; L11-Y41 HydrophobicContact CD2-CD1 3.53Å; L11-Y41 HydrophobicContact CD2-CE1 4.37Å; L11-Y41 HydrophobicContact CD2-CG 3.97Å; M15-Y41 HydrophobicContact CE-CE1 4.28Å; M15-Y41 HydrophobicContact CG-CE1 4.42Å; I29-Y41 HydrophobicContact CD1-CE1 3.93Å; I29-Y41 WeakPolarHBondContact CD1-OH 3.5Å; I29-Y41 HydrophobicContact CG1-CE1 4.46Å; I29-Y41 WeakPolarHBondContact CG1-OH 3.37Å; H39-Y41 AromaticContact CD2-CZ 3.92Å; H39-Y41 AromaticContact NE2-CZ 3.94Å; H39-Y41 PolarHBondContact NE2-OH 3.07Å; Y41-L57 HydrophobicContact CD1-CD1 4.24Å; Y41-L57 HydrophobicContact CD2-CD1 4.07Å; Y41-L57 HydrophobicContact CE1-CD1 4.14Å; Y41-L57 HydrophobicContact CE2-CD1 4.01Å; Y41-L57 HydrophobicContact CG-CD1 4.18Å; Y41-A64 HydrophobicContact CE2-CB 3.65Å; Y41-E68 HydrophobicContact CD2-CB 4.11Å; Y41-E68 WeakPolarHBondContact CD2-O 3.43Å; Y41-E68 HydrophobicContact CE2-CB 4.16Å; Y41-E68 PolarHBondContact N-O 2.59Å; Y41-V69 HydrophobicContact CD2-CG2 4.07Å; Y41-V70 PolarHBondContact O-N 2.88Å
42V98.1Very high96.8Very high0 Ų041.6 Ų41.60%023%0.232CC..EExtended strand (participates in β ladder)trans-114.4108.4-176.5-174.70000110L8 I9 V70 K182 I187 M188 A191L8-V42 HydrophobicContact CB-CG2 3.94Å; L8-V42 HydrophobicContact CD1-CG2 4.38Å; L8-V42 HydrophobicContact CD2-CG2 4Å; L8-V42 HydrophobicContact CG-CG2 4.32Å; I9-V42 PolarHBondContact O-N 2.8Å; V42-V70 WeakPolarHBondContact CA-O 3.34Å; V42-V70 HydrophobicContact CG2-CB 4.43Å; V42-K182 HydrophobicContact CG1-CD 4.25Å; V42-K182 HydrophobicContact CG1-CG 4.49Å; V42-K182 WeakPolarHBondContact O-CE 3.38Å; V42-K182 PolarHBondContact O-NZ 3.37Å; V42-I187 HydrophobicContact CG1-CD1 3.65Å; V42-I187 HydrophobicContact CG1-CG1 3.79Å; V42-M188 HydrophobicContact CG1-SD 4.36Å; V42-A191 HydrophobicContact CG2-CB 4.09Å
43T96.9Very high96.7Very high4 Ų441.9 Ų41.93%0.02523%0.234CC..EExtended strand (participates in β ladder)trans-125.9141.3-173.4-178.30000113.3L11 N45 V70 T71 S72L11-T43 HydrophobicContact CD1-CG2 3.94Å; T43-N45 HydrophobicContact CG2-CB 4.28Å; T43-N45 PolarHBondContact O-N 3.5Å; T43-N45 WeakPolarHBondContact OG1-CB 3.48Å; T43-N45 PolarHBondContact OG1-N 2.85Å; T43-N45 VanDerWaalsContact OG1-N 3.15Å; T43-V70 PolarHBondContact N-O 2.91Å; T43-T71 HydrophobicContact CG2-CG2 3.9Å; T43-T71 CarbonylContact O-C 3.59Å; T43-S72 PolarHBondContact O-N 3.29Å
44N96.3Very high96.7Very high10 Ų1039.4 Ų39.45%0.05322%0.22CC..  trans-71.9-10.3171.4-86.51000113.2S46 S72 N147 D149 G181 K182N44-S46 PolarHBondContact O-N 3.28Å; N44-S72 VanDerWaalsContact C-OG 3.31Å; N44-S72 PolarHBondContact O-OG 3.06Å; N44-N147 HydrophobicContact CB-CB 3.81Å; N44-N147 PolarHBondContact O-ND2 3.36Å; N44-D149 WeakPolarHBondContact CB-OD2 3.29Å; N44-D149 PolarHBondContact ND2-OD1 2.74Å; N44-D149 VanDerWaalsContact ND2-OD1 3.08Å; N44-G181 VanDerWaalsContact OD1-CA 3.31Å; N44-G181 WeakPolarHBondContact OD1-CA 3.15Å; N44-K182 PolarHBondContact ND2-O 2.86Å; N44-K182 PolarHBondContact OD1-N 3.44Å
45N93.5Very high96.7Very high48 Ų4838.7 Ų38.726%0.25721%0.209SC..  trans-67.2107.1-178.6-169.6-21.7000112.1T43 T47 T71T43-N45 HydrophobicContact CG2-CB 4.28Å; T43-N45 PolarHBondContact O-N 3.5Å; T43-N45 WeakPolarHBondContact OG1-CB 3.48Å; T43-N45 PolarHBondContact OG1-N 2.85Å; T43-N45 VanDerWaalsContact OG1-N 3.15Å; N45-T47 PolarHBondContact OD1-N 2.89Å; N45-T47 PolarHBondContact OD1-OG1 3.22Å; N45-T71 WeakPolarHBondContact O-CB 3.37Å
46S95.4Very high96.6Very high2 Ų235.3 Ų35.31%0.01419%0.194CC..  trans-92.20.5176.350.50000114.3N44 S72 L97 T146N44-S46 PolarHBondContact O-N 3.28Å; S46-S72 WeakPolarHBondContact CB-OG 3.35Å; S46-L97 PolarHBondContact O-N 2.68Å; S46-T146 WeakPolarHBondContact CB-OG1 3.44Å; S46-T146 PolarHBondContact OG-OG1 2.95Å
47T95.2Very high96.6Very high29 Ų2932.3 Ų32.318%0.17816%0.163CC..SBendtrans-89.1-20.8-175.969.40000113.5N45 G96 L121N45-T47 PolarHBondContact OD1-N 2.89Å; N45-T47 PolarHBondContact OD1-OG1 3.22Å; T47-G96 PolarHBondContact O-N 3.23Å; T47-L121 HydrophobicContact CG2-CB 3.83Å; T47-L121 HydrophobicContact CG2-CD2 3.95Å; T47-L121 HydrophobicContact CG2-CG 4.15Å
48K94.3Very high96.6Very high94 Ų9436.7 Ų36.741%0.40918%0.178SC..SBendtrans-109.5144.9-173.6-58.4-57.6-177.7177.20111.5Q52 V53K48-Q52 HydrophobicContact CB-CB 4.2Å; K48-Q52 HydrophobicContact CD-CB 4.36Å; K48-V53 HydrophobicContact CB-CG2 3.91Å
49T95.7Very high96.5Very high21 Ų2139.8 Ų39.813%0.12919%0.187CC..  trans-79.3160.7168.676.10000110.4E51 Q52 V53 T99T49-E51 WeakPolarHBondContact CB-OE2 3.27Å; T49-E51 PolarHBondContact O-N 3.37Å; T49-E51 PolarHBondContact OG1-OE2 3.22Å; T49-Q52 VanDerWaalsContact N-OE1 3.08Å; T49-Q52 PolarHBondContact O-N 3.45Å; T49-Q52 VanDerWaalsContact O-N 3.08Å; T49-Q52 PolarHBondContact OG1-N 3.28Å; T49-V53 WeakPolarHBondContact O-CG2 3.38Å; T49-V53 PolarHBondContact O-N 3.1Å; T49-T99 HydrophobicContact CG2-CG2 4.45Å
50P96.4Very high96.3Very high18 Ų1840.2 Ų40.212%0.11719%0.189CC..Hα-helixtrans-51.5-37.9172.8-3139.2000114.3V53 T54 P66 V69 L74P50-V53 PolarHBondContact O-N 3.45Å; P50-T54 WeakPolarHBondContact O-CG2 3.45Å; P50-T54 PolarHBondContact O-N 3.12Å; P50-T54 PolarHBondContact O-OG1 3.44Å; P50-P66 HydrophobicContact CB-CB 3.93Å; P50-V69 HydrophobicContact CB-CB 4.11Å; P50-V69 HydrophobicContact CB-CG1 4.47Å; P50-L74 HydrophobicContact CG-CD1 3.51Å; P50-L74 HydrophobicContact CG-CG 4.39Å
51E97Very high96.1Very high101 Ų10145.6 Ų45.647%0.47221%0.213SC..Hα-helixtrans-63.9-43.1177.7-60.170.3-15200111T49 T54 E55 P66T49-E51 WeakPolarHBondContact CB-OE2 3.27Å; T49-E51 PolarHBondContact O-N 3.37Å; T49-E51 PolarHBondContact OG1-OE2 3.22Å; E51-T54 PolarHBondContact O-N 2.74Å; E51-T54 PolarHBondContact O-OG1 2.8Å; E51-T54 VanDerWaalsContact O-OG1 3.09Å; E51-E55 VanDerWaalsContact O-CB 3.29Å; E51-E55 WeakPolarHBondContact O-CB 3.15Å; E51-E55 PolarHBondContact O-N 3.4Å; E51-P66 HydrophobicContact CG-CG 4.25Å
52Q96.1Very high96.1Very high72 Ų7245.7 Ų45.734%0.33621%0.214SC..Hα-helixtrans-68.7-36.1177.9-67.1178.4-39.600112.1K48 T49 K56K48-Q52 HydrophobicContact CB-CB 4.2Å; K48-Q52 HydrophobicContact CD-CB 4.36Å; T49-Q52 VanDerWaalsContact N-OE1 3.08Å; T49-Q52 PolarHBondContact O-N 3.45Å; T49-Q52 VanDerWaalsContact O-N 3.08Å; T49-Q52 PolarHBondContact OG1-N 3.28Å; Q52-K56 PolarHBondContact O-N 3.22Å
53V96.3Very high96Very high7 Ų750.2 Ų50.24%0.04224%0.238CC..Hα-helixtrans-64.6-47.4175.1172.80000110.3L11 K48 T49 P50 K56 L57 V69 T71L11-V53 HydrophobicContact CD1-CG1 3.54Å; K48-V53 HydrophobicContact CB-CG2 3.91Å; T49-V53 WeakPolarHBondContact O-CG2 3.38Å; T49-V53 PolarHBondContact O-N 3.1Å; P50-V53 PolarHBondContact O-N 3.45Å; V53-K56 PolarHBondContact O-N 3.38Å; V53-L57 HydrophobicContact CG1-CD1 4.22Å; V53-L57 PolarHBondContact O-N 3.32Å; V53-L57 VanDerWaalsContact O-N 3.08Å; V53-V69 HydrophobicContact CB-CG1 4.05Å; V53-V69 HydrophobicContact CB-CG2 4.34Å; V53-V69 HydrophobicContact CG1-CG1 3.86Å; V53-V69 HydrophobicContact CG1-CG2 3.94Å; V53-V69 HydrophobicContact CG2-CG1 4.25Å; V53-T71 HydrophobicContact CG2-CG2 4.47Å
54T97.1Very high96Very high0 Ų050.1 Ų50.10%024%0.238CC..Hα-helixtrans-72.2-31.2-179.756.30000113.6P50 E51 K56 L57 R58 A64 K65 V69P50-T54 WeakPolarHBondContact O-CG2 3.45Å; P50-T54 PolarHBondContact O-N 3.12Å; P50-T54 PolarHBondContact O-OG1 3.44Å; E51-T54 PolarHBondContact O-N 2.74Å; E51-T54 PolarHBondContact O-OG1 2.8Å; E51-T54 VanDerWaalsContact O-OG1 3.09Å; T54-K56 VanDerWaalsContact C-N 3.35Å; T54-L57 PolarHBondContact O-N 3.13Å; T54-R58 WeakPolarHBondContact O-CB 3.4Å; T54-R58 VanDerWaalsContact O-CG 3.31Å; T54-R58 WeakPolarHBondContact O-CG 3.39Å; T54-R58 PolarHBondContact O-N 3.39Å; T54-R58 PolarHBondContact OG1-NH1 3.38Å; T54-A64 HydrophobicContact CG2-CB 3.98Å; T54-K65 WeakPolarHBondContact CG2-O 3.34Å; T54-V69 HydrophobicContact CG2-CG2 3.51Å
55E96.9Very high96Very high108 Ų10853.4 Ų53.451%0.50525%0.252SS..Hα-helixtrans-56.8-49.5169.6-176.5172.6-149.200110.8E51 L57 R58 E59E51-E55 VanDerWaalsContact O-CB 3.29Å; E51-E55 WeakPolarHBondContact O-CB 3.15Å; E51-E55 PolarHBondContact O-N 3.4Å; E55-L57 PolarHBondContact O-N 3.02Å; E55-R58 PolarHBondContact O-N 3.03Å; E55-E59 WeakPolarHBondContact O-CG 3.37Å; E55-E59 PolarHBondContact O-N 3.3Å
56K95.7Very high96.2Very high55 Ų5553 Ų5324%0.23925%0.251CS..Hα-helixtrans-59.6-44.6175.7-175.6-178.6178.4-172.40112.6Y16 G18 Q52 V53 T54 R58 E59 M60Y16-K56 HydrophobicContact CE1-CD 4.27Å; Y16-K56 HydrophobicContact CE2-CD 4.38Å; G18-K56 WeakPolarHBondContact O-CE 3.47Å; G18-K56 PolarHBondContact O-NZ 2.76Å; Q52-K56 PolarHBondContact O-N 3.22Å; V53-K56 PolarHBondContact O-N 3.38Å; T54-K56 VanDerWaalsContact C-N 3.35Å; K56-R58 VanDerWaalsContact C-N 3.32Å; K56-R58 PolarHBondContact O-N 3.31Å; K56-E59 WeakPolarHBondContact O-CB 3.28Å; K56-E59 PolarHBondContact O-N 2.93Å; K56-M60 HydrophobicContact CG-CE 4.28Å; K56-M60 PolarHBondContact O-N 2.98Å
57L97.1Very high96.3Very high0 Ų059.2 Ų59.20%028%0.28CS..Hα-helixtrans-61.4-40.9177.7-73.3170.3000111.9L11 M15 Y16 Y41 V53 T54 E55 M60 H61 I62 A64L11-L57 HydrophobicContact CD2-CD1 4.14Å; L11-L57 HydrophobicContact CD2-CD2 4.05Å; M15-L57 HydrophobicContact CB-CD2 4.29Å; Y16-L57 HydrophobicContact CD1-CD2 4.01Å; Y16-L57 HydrophobicContact CE1-CD2 3.75Å; Y16-L57 HydrophobicContact CE1-CG 4.47Å; Y41-L57 HydrophobicContact CD1-CD1 4.24Å; Y41-L57 HydrophobicContact CD2-CD1 4.07Å; Y41-L57 HydrophobicContact CE1-CD1 4.14Å; Y41-L57 HydrophobicContact CE2-CD1 4.01Å; Y41-L57 HydrophobicContact CG-CD1 4.18Å; V53-L57 HydrophobicContact CG1-CD1 4.22Å; V53-L57 PolarHBondContact O-N 3.32Å; V53-L57 VanDerWaalsContact O-N 3.08Å; T54-L57 PolarHBondContact O-N 3.13Å; E55-L57 PolarHBondContact O-N 3.02Å; L57-M60 CarbonylContact O-C 3.54Å; L57-M60 WeakPolarHBondContact O-CA 3.25Å; L57-M60 WeakPolarHBondContact O-CB 3.34Å; L57-M60 PolarHBondContact O-N 3.37Å; L57-M60 VanDerWaalsContact O-N 3.1Å; L57-H61 PolarHBondContact O-N 3.21Å; L57-I62 CarbonylContact C-O 3.52Å; L57-I62 HydrophobicContact CB-CB 4.21Å; L57-I62 HydrophobicContact CB-CG2 4.38Å; L57-I62 HydrophobicContact CD2-CB 4.44Å; L57-I62 HydrophobicContact CD2-CD1 3.81Å; L57-I62 HydrophobicContact CD2-CG2 4.37Å; L57-I62 WeakPolarHBondContact O-CB 3.37Å; L57-I62 PolarHBondContact O-N 2.87Å; L57-A64 HydrophobicContact CB-CB 3.97Å; L57-A64 HydrophobicContact CD1-CB 3.67Å; L57-A64 HydrophobicContact CG-CB 4.47Å
58R96.4Very high96.4Very high117 Ų11758.9 Ų58.944%0.44228%0.277SS..Hα-helixtrans-68.5-34177.8-72.9-173.7-60.7-107.8-0.9113.1T54 E55 K56 M60 H61 I62 A64T54-R58 WeakPolarHBondContact O-CB 3.4Å; T54-R58 VanDerWaalsContact O-CG 3.31Å; T54-R58 WeakPolarHBondContact O-CG 3.39Å; T54-R58 PolarHBondContact O-N 3.39Å; T54-R58 PolarHBondContact OG1-NH1 3.38Å; E55-R58 PolarHBondContact O-N 3.03Å; K56-R58 VanDerWaalsContact C-N 3.32Å; K56-R58 PolarHBondContact O-N 3.31Å; R58-M60 PolarHBondContact O-N 3.34Å; R58-H61 PolarHBondContact O-N 2.9Å; R58-I62 WeakPolarHBondContact CA-O 3.21Å; R58-I62 PolarHBondContact N-O 2.83Å; R58-A64 PolarHBondContact NH1-O 2.91Å
59E95.8Very high96.6Very high135 Ų13554.7 Ų54.763%0.63126%0.259SS*.Hα-helixtrans-59.2-31171-72177.3166.200111.7E55 K56 H61E55-E59 WeakPolarHBondContact O-CG 3.37Å; E55-E59 PolarHBondContact O-N 3.3Å; K56-E59 WeakPolarHBondContact O-CB 3.28Å; K56-E59 PolarHBondContact O-N 2.93Å; E59-H61 VanDerWaalsContact C-N 3.28Å; E59-H61 PolarHBondContact O-N 3.33Å
60M94.8Very high96.7Very high15 Ų1554 Ų547%0.07425%0.254CS..THydrogen-bonded Turntrans-91.319.6174.9-63.1170.1172.800113.1Y16 E21 K56 L57 R58 I62Y16-M60 WeakPolarHBondContact CB-SD 3.26Å; Y16-M60 HydrophobicContact CD1-CE 4.22Å; Y16-M60 HydrophobicContact CD1-SD 3.43Å; Y16-M60 WeakPolarHBondContact CD1-SD 3.45Å; Y16-M60 HydrophobicContact CD2-CE 4.48Å; Y16-M60 HydrophobicContact CE1-SD 4.35Å; Y16-M60 HydrophobicContact CG-CE 3.9Å; Y16-M60 HydrophobicContact CG-SD 3.6Å; Y16-M60 VanDerWaalsContact CG-SD 3.6Å; E21-M60 HydrophobicContact CG-CB 4.09Å; E21-M60 HydrophobicContact CG-CG 4.14Å; K56-M60 HydrophobicContact CG-CE 4.28Å; K56-M60 PolarHBondContact O-N 2.98Å; L57-M60 CarbonylContact O-C 3.54Å; L57-M60 WeakPolarHBondContact O-CA 3.25Å; L57-M60 WeakPolarHBondContact O-CB 3.34Å; L57-M60 PolarHBondContact O-N 3.37Å; L57-M60 VanDerWaalsContact O-N 3.1Å; R58-M60 PolarHBondContact O-N 3.34Å; M60-I62 HydrophobicContact CB-CD1 4.3Å; M60-I62 PolarHBondContact O-N 3.49Å; M60-I62 VanDerWaalsContact O-N 3.1Å
61H95.2Very high96.7Very high121 Ų12153.2 Ų53.256%0.5625%0.249SC*.THydrogen-bonded Turntrans6217.5177.6-50.8-53.3000115.5E21 K26 L57 R58 E59E21-H61 IonicContact OE1-CD2 2.71Å; K26-H61 HydrophobicContact CD-CB 4.04Å; K26-H61 WeakPolarHBondContact CE-O 3.35Å; K26-H61 WeakPolarHBondContact CG-O 3.36Å; L57-H61 PolarHBondContact O-N 3.21Å; R58-H61 PolarHBondContact O-N 2.9Å; E59-H61 VanDerWaalsContact C-N 3.28Å; E59-H61 PolarHBondContact O-N 3.33Å
62I97.4Very high96.8Very high3 Ų348.4 Ų48.42%0.01523%0.227CC..  trans-91.3122.2173.7-63.2157.5000108.6M15 A25 K26 I29 L57 R58 M60 A64M15-I62 HydrophobicContact CB-CD1 4.4Å; M15-I62 HydrophobicContact CE-CD1 3.77Å; M15-I62 HydrophobicContact CE-CG1 4.35Å; M15-I62 HydrophobicContact CE-CG2 4.27Å; A25-I62 HydrophobicContact CB-CD1 4.36Å; K26-I62 HydrophobicContact CB-CG1 4.26Å; I29-I62 HydrophobicContact CB-CG2 4.11Å; I29-I62 HydrophobicContact CG1-CG2 3.86Å; I29-I62 HydrophobicContact CG2-CG2 4Å; L57-I62 CarbonylContact C-O 3.52Å; L57-I62 HydrophobicContact CB-CB 4.21Å; L57-I62 HydrophobicContact CB-CG2 4.38Å; L57-I62 HydrophobicContact CD2-CB 4.44Å; L57-I62 HydrophobicContact CD2-CD1 3.81Å; L57-I62 HydrophobicContact CD2-CG2 4.37Å; L57-I62 WeakPolarHBondContact O-CB 3.37Å; L57-I62 PolarHBondContact O-N 2.87Å; R58-I62 WeakPolarHBondContact CA-O 3.21Å; R58-I62 PolarHBondContact N-O 2.83Å; M60-I62 HydrophobicContact CB-CD1 4.3Å; M60-I62 PolarHBondContact O-N 3.49Å; M60-I62 VanDerWaalsContact O-N 3.1Å; I62-A64 PolarHBondContact O-N 2.66Å
63D95.8Very high96.9Very high95 Ų9545 Ų4551%0.50821%0.211SC..  trans-77.4105.5176.5-171.320.7000110I29I29-D63 WeakPolarHBondContact CG2-O 3.37Å
64A96.9Very high97Very high2 Ų247.2 Ų47.22%0.01722%0.222CC..  trans-136.8143.7-175.800000111.7Y41 T54 L57 R58 I62Y41-A64 HydrophobicContact CE2-CB 3.65Å; T54-A64 HydrophobicContact CG2-CB 3.98Å; L57-A64 HydrophobicContact CB-CB 3.97Å; L57-A64 HydrophobicContact CD1-CB 3.67Å; L57-A64 HydrophobicContact CG-CB 4.47Å; R58-A64 PolarHBondContact NH1-O 2.91Å; I62-A64 PolarHBondContact O-N 2.66Å
65K97.2Very high97Very high79 Ų7947.3 Ų47.334%0.34322%0.224SC..  trans-114.9146.6179.8-48.7-176.8-157.793.80112T54 E67 E68T54-K65 WeakPolarHBondContact CG2-O 3.34Å; K65-E67 VanDerWaalsContact CB-CD 3.4Å; K65-E67 HydrophobicContact CB-CG 4.06Å; K65-E67 WeakPolarHBondContact CB-OE2 3.26Å; K65-E67 VanDerWaalsContact CD-OE1 3.26Å; K65-E67 WeakPolarHBondContact CD-OE1 3.48Å; K65-E67 PolarHBondContact O-N 3.34Å; K65-E68 HydrophobicContact CB-CG 4.28Å; K65-E68 PolarHBondContact N-OE2 2.91Å; K65-E68 IonicContact NZ-OE1 2.69Å; K65-E68 PolarHBondContact NZ-OE1 2.72Å; K65-E68 WeakPolarHBondContact O-CB 3.27Å; K65-E68 PolarHBondContact O-N 3.06Å
66P97.2Very high97.1Very high38 Ų3842.2 Ų42.225%0.24720%0.2CC..G310 helixtrans-52-38.7179.1-28.836.8000114.1P50 E51 E68 V69P50-P66 HydrophobicContact CB-CB 3.93Å; E51-P66 HydrophobicContact CG-CG 4.25Å; P66-E68 PolarHBondContact O-N 3.29Å; P66-V69 PolarHBondContact O-N 2.69Å; P66-V69 VanDerWaalsContact O-N 3.07Å
67E97.1Very high97.2Very high134 Ų13439.7 Ų39.763%0.62619%0.189SC*.G310 helixtrans-64.8-15.5176.960-92.8-149.100114.3K65 V69K65-E67 VanDerWaalsContact CB-CD 3.4Å; K65-E67 HydrophobicContact CB-CG 4.06Å; K65-E67 WeakPolarHBondContact CB-OE2 3.26Å; K65-E67 VanDerWaalsContact CD-OE1 3.26Å; K65-E67 WeakPolarHBondContact CD-OE1 3.48Å; K65-E67 PolarHBondContact O-N 3.34Å; E67-V69 VanDerWaalsContact C-N 3.32Å
68E97.9Very high97.2Very high22 Ų2242.6 Ų42.610%0.10321%0.205CC..G310 helixtrans-89.42.9176.2-63.8160.2174.200111.7L40 Y41 K65 P66L40-E68 CarbonylContact C-O 3.6Å; L40-E68 VanDerWaalsContact CA-O 3.23Å; L40-E68 WeakPolarHBondContact CA-O 3.28Å; Y41-E68 HydrophobicContact CD2-CB 4.11Å; Y41-E68 WeakPolarHBondContact CD2-O 3.43Å; Y41-E68 HydrophobicContact CE2-CB 4.16Å; Y41-E68 PolarHBondContact N-O 2.59Å; K65-E68 HydrophobicContact CB-CG 4.28Å; K65-E68 PolarHBondContact N-OE2 2.91Å; K65-E68 IonicContact NZ-OE1 2.69Å; K65-E68 PolarHBondContact NZ-OE1 2.72Å; K65-E68 WeakPolarHBondContact O-CB 3.27Å; K65-E68 PolarHBondContact O-N 3.06Å; P66-E68 PolarHBondContact O-N 3.29Å
69V98.2Very high97.3Very high6 Ų639.3 Ų39.34%0.03619%0.192CC..EExtended strand (participates in β ladder)trans-111.5124.5-175.8-178.70000111.7Y41 P50 V53 T54 P66 E67 T71Y41-V69 HydrophobicContact CD2-CG2 4.07Å; P50-V69 HydrophobicContact CB-CB 4.11Å; P50-V69 HydrophobicContact CB-CG1 4.47Å; V53-V69 HydrophobicContact CB-CG1 4.05Å; V53-V69 HydrophobicContact CB-CG2 4.34Å; V53-V69 HydrophobicContact CG1-CG1 3.86Å; V53-V69 HydrophobicContact CG1-CG2 3.94Å; V53-V69 HydrophobicContact CG2-CG1 4.25Å; T54-V69 HydrophobicContact CG2-CG2 3.51Å; P66-V69 PolarHBondContact O-N 2.69Å; P66-V69 VanDerWaalsContact O-N 3.07Å; E67-V69 VanDerWaalsContact C-N 3.32Å; V69-T71 HydrophobicContact CG1-CG2 3.84Å
70V97.9Very high97.5Very high5 Ų532.9 Ų32.93%0.0316%0.162CC..EExtended strand (participates in β ladder)trans-113.1105.1170.8-175.50000108.8L40 Y41 V42 T43 I187 A191 I194L40-V70 HydrophobicContact CB-CG2 4.38Å; L40-V70 HydrophobicContact CD1-CG2 3.97Å; Y41-V70 PolarHBondContact O-N 2.88Å; V42-V70 WeakPolarHBondContact CA-O 3.34Å; V42-V70 HydrophobicContact CG2-CB 4.43Å; T43-V70 PolarHBondContact N-O 2.91Å; V70-I187 HydrophobicContact CG1-CG1 4.05Å; V70-A191 HydrophobicContact CG2-CB 4.45Å; V70-I194 HydrophobicContact CG2-CD1 3.65Å
71T97.8Very high97.6Very high2 Ų233.2 Ų33.21%0.01217%0.167CC..EExtended strand (participates in β ladder)trans-90.8155172.269.30000110.5T43 N45 V53 V69 A73 L74 A75T43-T71 HydrophobicContact CG2-CG2 3.9Å; T43-T71 CarbonylContact O-C 3.59Å; N45-T71 WeakPolarHBondContact O-CB 3.37Å; V53-T71 HydrophobicContact CG2-CG2 4.47Å; V69-T71 HydrophobicContact CG1-CG2 3.84Å; T71-A73 PolarHBondContact O-N 2.98Å; T71-A73 PolarHBondContact OG1-N 3.32Å; T71-L74 PolarHBondContact O-N 3.27Å; T71-L74 VanDerWaalsContact O-N 3.12Å; T71-L74 WeakPolarHBondContact OG1-CG 3.45Å; T71-L74 PolarHBondContact OG1-N 3.26Å; T71-L74 VanDerWaalsContact OG1-N 3.11Å; T71-A75 PolarHBondContact O-N 3.05Å
72S97.6Very high97.7Very high0 Ų032.2 Ų32.20%016%0.162CC..Hα-helixtrans-57.3-29.2170.362.60000113.2T43 N44 S46 T76 T146T43-S72 PolarHBondContact O-N 3.29Å; N44-S72 VanDerWaalsContact C-OG 3.31Å; N44-S72 PolarHBondContact O-OG 3.06Å; S46-S72 WeakPolarHBondContact CB-OG 3.35Å; S72-T76 VanDerWaalsContact O-CB 3.24Å; S72-T76 WeakPolarHBondContact O-CB 3.43Å; S72-T76 PolarHBondContact O-N 2.86Å; S72-T76 PolarHBondContact O-OG1 2.88Å; S72-T146 VanDerWaalsContact CB-O 3.27Å; S72-T146 WeakPolarHBondContact CB-O 3.36Å
73A98.2Very high97.7Very high0 Ų037.5 Ų37.50%019%0.187CC..Hα-helixtrans-65.5-48.1173.100000112.2T71 T76 A77 L97 A100T71-A73 PolarHBondContact O-N 2.98Å; T71-A73 PolarHBondContact OG1-N 3.32Å; A73-T76 PolarHBondContact O-N 3.18Å; A73-A77 WeakPolarHBondContact O-CB 3.19Å; A73-A77 PolarHBondContact O-N 3.24Å; A73-L97 HydrophobicContact CB-CB 4.28Å; A73-L97 HydrophobicContact CB-CD1 4.02Å; A73-A100 HydrophobicContact CB-CB 4.1Å
74L98Very high97.8Very high54 Ų5435 Ų3528%0.28318%0.177SC..Hα-helixtrans-62-48.4176.3-75177.4000111.4P50 T71 T76 A77 D78 A100P50-L74 HydrophobicContact CG-CD1 3.51Å; P50-L74 HydrophobicContact CG-CG 4.39Å; T71-L74 PolarHBondContact O-N 3.27Å; T71-L74 VanDerWaalsContact O-N 3.12Å; T71-L74 WeakPolarHBondContact OG1-CG 3.45Å; T71-L74 PolarHBondContact OG1-N 3.26Å; T71-L74 VanDerWaalsContact OG1-N 3.11Å; L74-T76 PolarHBondContact O-N 3.11Å; L74-A77 PolarHBondContact O-N 2.77Å; L74-D78 WeakPolarHBondContact O-CB 3.5Å; L74-D78 PolarHBondContact O-N 2.82Å; L74-A100 HydrophobicContact CD2-CB 3.94Å
75A98.2Very high97.9Very high3 Ų340.2 Ų40.23%0.02521%0.21CC..Hα-helixtrans-60.7-36.3177.900000112T71 Y79 I180 I187 K190T71-A75 PolarHBondContact O-N 3.05Å; A75-Y79 WeakPolarHBondContact O-CB 3.39Å; A75-Y79 PolarHBondContact O-N 2.86Å; A75-I180 HydrophobicContact CB-CG2 3.8Å; A75-I187 HydrophobicContact CB-CB 4.23Å; A75-I187 HydrophobicContact CB-CD1 4.44Å; A75-I187 HydrophobicContact CB-CG1 3.88Å; A75-K190 HydrophobicContact CB-CG 4.41Å
76T98.6Very high97.9Very high0 Ų038.6 Ų38.60%022%0.216CC..Hα-helixtrans-66.8-46.2175.7-61.50000111.4S72 A73 L74 Y79 I80 V118 I144 T146 I180S72-T76 VanDerWaalsContact O-CB 3.24Å; S72-T76 WeakPolarHBondContact O-CB 3.43Å; S72-T76 PolarHBondContact O-N 2.86Å; S72-T76 PolarHBondContact O-OG1 2.88Å; A73-T76 PolarHBondContact O-N 3.18Å; L74-T76 PolarHBondContact O-N 3.11Å; T76-Y79 PolarHBondContact O-N 3.04Å; T76-I80 HydrophobicContact CG2-CD1 3.81Å; T76-I80 VanDerWaalsContact O-CG1 3.27Å; T76-I80 WeakPolarHBondContact O-CG1 3.43Å; T76-I80 PolarHBondContact O-N 2.92Å; T76-V118 HydrophobicContact CG2-CG1 3.7Å; T76-I144 HydrophobicContact CG2-CG2 3.78Å; T76-T146 HydrophobicContact CG2-CG2 4.49Å; T76-I180 HydrophobicContact CG2-CG1 4.31Å; T76-I180 WeakPolarHBondContact OG1-CB 3.24Å; T76-I180 WeakPolarHBondContact OG1-CG1 3.48Å
77A98.4Very high98Very high2 Ų237.2 Ų37.22%0.01721%0.208CC..Hα-helixtrans-64.3-45.9-179.900000112A73 L74 I80 S81 A100 L101 A104A73-A77 WeakPolarHBondContact O-CB 3.19Å; A73-A77 PolarHBondContact O-N 3.24Å; L74-A77 PolarHBondContact O-N 2.77Å; A77-I80 PolarHBondContact O-N 2.89Å; A77-S81 VanDerWaalsContact O-CB 3.28Å; A77-S81 WeakPolarHBondContact O-CB 3.43Å; A77-S81 PolarHBondContact O-N 2.9Å; A77-S81 PolarHBondContact O-OG 3.18Å; A77-A100 VanDerWaalsContact CB-C 3.44Å; A77-A100 HydrophobicContact CB-CB 3.95Å; A77-A100 VanDerWaalsContact CB-O 3.27Å; A77-A100 WeakPolarHBondContact CB-O 3.4Å; A77-L101 HydrophobicContact CB-CD2 4Å; A77-L101 HydrophobicContact CB-CG 4.43Å; A77-A104 HydrophobicContact CB-CB 3.84Å
78D97.8Very high98Very high61 Ų6131.2 Ų31.233%0.32618%0.18SC..Hα-helixtrans-59.5-50.7176.2-172.257.7000110.9L74 I80 S81 E82 K190L74-D78 WeakPolarHBondContact O-CB 3.5Å; L74-D78 PolarHBondContact O-N 2.82Å; D78-I80 PolarHBondContact O-N 3.36Å; D78-S81 PolarHBondContact O-N 3.17Å; D78-S81 VanDerWaalsContact O-N 3.14Å; D78-S81 PolarHBondContact O-OG 3.36Å; D78-E82 WeakPolarHBondContact O-CG 3.43Å; D78-E82 PolarHBondContact O-N 3.41Å; D78-K190 VanDerWaalsContact OD2-CD 3.23Å; D78-K190 WeakPolarHBondContact OD2-CD 3.27Å; D78-K190 WeakPolarHBondContact OD2-CE 3.32Å; D78-K190 IonicContact OD2-NZ 3.01Å; D78-K190 PolarHBondContact OD2-NZ 2.89Å
79Y98.2Very high98.1Very high48 Ų4830.1 Ų30.119%0.18818%0.176CC..Hα-helixtrans-52.8-49.1176.3178.2-102000112.6A75 T76 Q83 I144 Q178 I180 I186A75-Y79 WeakPolarHBondContact O-CB 3.39Å; A75-Y79 PolarHBondContact O-N 2.86Å; T76-Y79 PolarHBondContact O-N 3.04Å; Y79-Q83 HydrophobicContact CE2-CG 4.32Å; Y79-Q83 VanDerWaalsContact O-CG 3.29Å; Y79-Q83 WeakPolarHBondContact O-CG 3.35Å; Y79-Q83 PolarHBondContact O-N 2.89Å; Y79-I144 HydrophobicContact CD1-CD1 4.11Å; Y79-I144 HydrophobicContact CE1-CD1 4.09Å; Y79-Q178 PolarHBondContact OH-NE2 2.75Å; Y79-Q178 PolarHBondContact OH-OE1 3.01Å; Y79-I180 HydrophobicContact CD1-CD1 3.8Å; Y79-I180 HydrophobicContact CE1-CD1 4.25Å; Y79-I180 HydrophobicContact CG-CD1 4.12Å; Y79-I186 HydrophobicContact CD2-CG2 3.91Å; Y79-I186 HydrophobicContact CE2-CD1 4.38Å; Y79-I186 HydrophobicContact CG-CG2 4.28Å
80I98.5Very high98.1Very high0 Ų030.1 Ų30.10%018%0.175CC..Hα-helixtrans-66.8-43.9179.8-64.1166.3000110.6T76 A77 D78 E82 Q83 S84 L101 L106 Y116 V118 I144T76-I80 HydrophobicContact CG2-CD1 3.81Å; T76-I80 VanDerWaalsContact O-CG1 3.27Å; T76-I80 WeakPolarHBondContact O-CG1 3.43Å; T76-I80 PolarHBondContact O-N 2.92Å; A77-I80 PolarHBondContact O-N 2.89Å; D78-I80 PolarHBondContact O-N 3.36Å; I80-E82 VanDerWaalsContact C-N 3.29Å; I80-E82 PolarHBondContact O-N 3.09Å; I80-Q83 PolarHBondContact O-N 2.79Å; I80-S84 PolarHBondContact O-N 2.77Å; I80-L101 HydrophobicContact CD1-CD2 4.11Å; I80-L106 HydrophobicContact CB-CD1 3.86Å; I80-L106 HydrophobicContact CG2-CD1 3.72Å; I80-L106 HydrophobicContact CG2-CD2 3.74Å; I80-L106 HydrophobicContact CG2-CG 4.4Å; I80-Y116 HydrophobicContact CD1-CD1 4.35Å; I80-Y116 HydrophobicContact CG1-CD1 4.16Å; I80-Y116 HydrophobicContact CG1-CE1 4.27Å; I80-Y116 HydrophobicContact CG2-CD1 4.19Å; I80-Y116 HydrophobicContact CG2-CD2 3.83Å; I80-Y116 HydrophobicContact CG2-CE1 4.17Å; I80-Y116 HydrophobicContact CG2-CE2 3.84Å; I80-Y116 HydrophobicContact CG2-CG 4.05Å; I80-V118 HydrophobicContact CD1-CG2 3.48Å; I80-V118 VanDerWaalsContact CD1-CG2 3.48Å; I80-I144 HydrophobicContact CD1-CD1 3.87Å; I80-I144 HydrophobicContact CG1-CD1 3.59Å
81S98.1Very high98.1Very high23 Ų2331 Ų3116%0.16118%0.179CC..Hα-helixtrans-64.5-32.5-175.775.30000113.2A77 D78 P85A77-S81 VanDerWaalsContact O-CB 3.28Å; A77-S81 WeakPolarHBondContact O-CB 3.43Å; A77-S81 PolarHBondContact O-N 2.9Å; A77-S81 PolarHBondContact O-OG 3.18Å; D78-S81 PolarHBondContact O-N 3.17Å; D78-S81 VanDerWaalsContact O-N 3.14Å; D78-S81 PolarHBondContact O-OG 3.36Å; S81-P85 WeakPolarHBondContact O-CA 3.41Å; S81-P85 WeakPolarHBondContact O-CD 3.39Å; S81-P85 VanDerWaalsContact O-CG 3.29Å; S81-P85 WeakPolarHBondContact O-CG 3.49Å
82E97.2Very high98.2Very high99 Ų9931 Ų3146%0.46318%0.179SC..Hα-helixtrans-72.2-40.6173.6-72.4-177.6159.300112.7D78 I80 K190D78-E82 WeakPolarHBondContact O-CG 3.43Å; D78-E82 PolarHBondContact O-N 3.41Å; I80-E82 VanDerWaalsContact C-N 3.29Å; I80-E82 PolarHBondContact O-N 3.09Å; E82-K190 IonicContact OE1-NZ 2.79Å; E82-K190 PolarHBondContact OE1-NZ 3.14Å; E82-K190 IonicContact OE2-NZ 2.59Å; E82-K190 PolarHBondContact OE2-NZ 2.88Å
83Q97.1Very high98.1Very high115 Ų11531.9 Ų31.954%0.53719%0.187SC..Hα-helixtrans-74.3-36.3-179.4-64.8-54.9-54.900112.1Y79 I80Y79-Q83 HydrophobicContact CE2-CG 4.32Å; Y79-Q83 VanDerWaalsContact O-CG 3.29Å; Y79-Q83 WeakPolarHBondContact O-CG 3.35Å; Y79-Q83 PolarHBondContact O-N 2.89Å; I80-Q83 PolarHBondContact O-N 2.79Å
84S97.9Very high97.9Very high43 Ų4333 Ų3330%0.30120%0.199SC..SBendtrans-149.381.3-176-68.40000111I80 G86 A87 Y116I80-S84 PolarHBondContact O-N 2.77Å; S84-G86 PolarHBondContact O-N 3.21Å; S84-A87 WeakPolarHBondContact O-CB 3.3Å; S84-A87 PolarHBondContact O-N 3.21Å; S84-A87 VanDerWaalsContact O-N 3.1Å; S84-Y116 PolarHBondContact OG-OH 3.04Å
85P98Very high97.7Very high111 Ų11133.7 Ų33.772%0.72121%0.208SC*.THydrogen-bonded Turntrans-55129.9178.3-24.831.7000112.1S81 A87S81-P85 WeakPolarHBondContact O-CA 3.41Å; S81-P85 WeakPolarHBondContact O-CD 3.39Å; S81-P85 VanDerWaalsContact O-CG 3.29Å; S81-P85 WeakPolarHBondContact O-CG 3.49Å; P85-A87 VanDerWaalsContact C-N 3.25Å; P85-A87 PolarHBondContact O-N 3.07Å
86G98Very high97.6Very high45 Ų4533.8 Ų33.846%0.46421%0.209SC..THydrogen-bonded Turntrans72.213.2179.300000115.1S84 G105S84-G86 PolarHBondContact O-N 3.21Å; G86-G105 WeakPolarHBondContact CA-O 3.27Å
87A98.5Very high97.6Very high8 Ų833.8 Ų33.87%0.06621%0.209CC..  trans-58.5150.1177.400000112.5S84 P85 L106 V107 D115 Y116S84-A87 WeakPolarHBondContact O-CB 3.3Å; S84-A87 PolarHBondContact O-N 3.21Å; S84-A87 VanDerWaalsContact O-N 3.1Å; P85-A87 VanDerWaalsContact C-N 3.25Å; P85-A87 PolarHBondContact O-N 3.07Å; A87-L106 HydrophobicContact CB-CD2 4.13Å; A87-V107 PolarHBondContact O-N 3.44Å; A87-D115 HydrophobicContact CB-CB 4.1Å; A87-Y116 HydrophobicContact CB-CD2 3.8Å; A87-Y116 HydrophobicContact CB-CE2 3.73Å
88S98.8Very high97.6Very high8 Ų836.9 Ų36.96%0.05623%0.226CC..EExtended strand (participates in β ladder)trans-85.9135.3173.260.50000112V107 K109 D115 Y116S88-V107 CarbonylContact C-O 3.58Å; S88-V107 VanDerWaalsContact CA-O 3.28Å; S88-V107 WeakPolarHBondContact CA-O 3.36Å; S88-K109 VanDerWaalsContact CB-CE 3.48Å; S88-K109 PolarHBondContact OG-NZ 3.44Å; S88-D115 WeakPolarHBondContact CB-OD2 3.19Å; S88-D115 PolarHBondContact N-OD2 3.05Å; S88-D115 WeakPolarHBondContact O-CB 3.27Å; S88-D115 PolarHBondContact O-N 2.76Å; S88-D115 PolarHBondContact OG-N 3.05Å; S88-D115 PolarHBondContact OG-OD2 3.47Å; S88-Y116 PolarHBondContact O-N 2.88Å
89V98.8Very high97.6Very high0 Ų036.1 Ų36.10%022%0.223CC..EExtended strand (participates in β ladder)trans-129126.6-172.6-177.60000109.7M91 L101 L106 V107 I108 K109 Y116 V118V89-M91 HydrophobicContact CG1-CB 4.36Å; V89-L101 HydrophobicContact CG1-CD1 4.03Å; V89-L106 HydrophobicContact CG2-CB 4.01Å; V89-L106 HydrophobicContact CG2-CD1 4.2Å; V89-V107 PolarHBondContact N-O 2.9Å; V89-I108 HydrophobicContact CB-CD1 4.08Å; V89-I108 HydrophobicContact CG1-CD1 4.37Å; V89-I108 WeakPolarHBondContact O-CA 3.43Å; V89-K109 PolarHBondContact O-N 2.85Å; V89-Y116 WeakPolarHBondContact CA-O 3.41Å; V89-V118 HydrophobicContact CG1-CB 4.04Å; V89-V118 HydrophobicContact CG1-CG2 3.55Å
90Y98.8Very high97.6Very high6 Ų634.1 Ų34.12%0.02422%0.217CC..EExtended strand (participates in β ladder)trans-90.7124.5157.9179.5-105000108.1L92 K109 N110 Y116 V117 V118 K129 I132 A133Y90-L92 HydrophobicContact CE1-CD2 3.66Å; Y90-L92 HydrophobicContact CE1-CG 3.97Å; Y90-L92 WeakPolarHBondContact OH-CD2 3.46Å; Y90-K109 WeakPolarHBondContact CD2-O 3.4Å; Y90-N110 WeakPolarHBondContact CE2-OD1 3.45Å; Y90-Y116 PolarHBondContact N-O 2.77Å; Y90-V117 HydrophobicContact CD1-CG1 4.43Å; Y90-V117 CarbonylContact O-C 3.48Å; Y90-V117 WeakPolarHBondContact O-CA 3.34Å; Y90-V118 PolarHBondContact O-N 3.03Å; Y90-K129 WeakPolarHBondContact CE1-O 3.27Å; Y90-K129 VanDerWaalsContact OH-CA 3.23Å; Y90-K129 WeakPolarHBondContact OH-CA 3.47Å; Y90-K129 PolarHBondContact OH-O 2.9Å; Y90-I132 HydrophobicContact CD1-CG2 4.13Å; Y90-I132 HydrophobicContact CD2-CG2 3.74Å; Y90-I132 HydrophobicContact CE1-CB 4.06Å; Y90-I132 HydrophobicContact CE1-CG2 3.85Å; Y90-I132 HydrophobicContact CE2-CB 4.11Å; Y90-I132 HydrophobicContact CE2-CD1 4.47Å; Y90-I132 HydrophobicContact CE2-CG2 3.48Å; Y90-I132 VanDerWaalsContact CE2-CG2 3.48Å; Y90-I132 HydrophobicContact CG-CG2 4.07Å; Y90-A133 HydrophobicContact CD1-CB 4.1Å; Y90-A133 HydrophobicContact CE1-CB 3.78Å
91M98.5Very high97.6Very high24 Ų2434.1 Ų34.112%0.11822%0.217CC..EExtended strand (participates in β ladder)trans-119140.8-179.262.6159.8-68.800112.5V89 L97 N98 L101 I108 V118V89-M91 HydrophobicContact CG1-CB 4.36Å; M91-L97 HydrophobicContact CB-CD2 4.44Å; M91-L97 HydrophobicContact CE-CB 3.87Å; M91-L97 HydrophobicContact CE-CD2 3.91Å; M91-L97 HydrophobicContact CE-CG 3.79Å; M91-L97 HydrophobicContact SD-CG 4.44Å; M91-N98 HydrophobicContact CE-CB 3.91Å; M91-N98 WeakPolarHBondContact SD-CA 3.45Å; M91-N98 HydrophobicContact SD-CB 3.65Å; M91-L101 HydrophobicContact CB-CD1 3.91Å; M91-L101 HydrophobicContact CG-CD1 4.3Å; M91-L101 HydrophobicContact SD-CD1 3.89Å; M91-I108 HydrophobicContact CG-CD1 4.11Å; M91-I108 HydrophobicContact CG-CG2 4.04Å; M91-I108 HydrophobicContact SD-CD1 4.06Å; M91-I108 HydrophobicContact SD-CG1 4.49Å; M91-V118 CarbonylContact C-O 3.58Å; M91-V118 VanDerWaalsContact CA-O 3.27Å; M91-V118 WeakPolarHBondContact CA-O 3.36Å
92L98.4Very high97.6Very high2 Ų236.5 Ų36.51%0.0123%0.23CC..EExtended strand (participates in β ladder)trans-109.5121.9160.1-59.5-175.7000106.9Y90 V118 I119 G120 D122 V125 K129 L130 A133Y90-L92 HydrophobicContact CE1-CD2 3.66Å; Y90-L92 HydrophobicContact CE1-CG 3.97Å; Y90-L92 WeakPolarHBondContact OH-CD2 3.46Å; L92-V118 PolarHBondContact N-O 3.2Å; L92-I119 HydrophobicContact CB-CG1 4.44Å; L92-I119 HydrophobicContact CB-CG2 4.32Å; L92-I119 HydrophobicContact CD1-CD1 4.3Å; L92-I119 HydrophobicContact CD1-CG1 4.32Å; L92-G120 CarbonylContact O-C 3.49Å; L92-G120 WeakPolarHBondContact O-CA 3.29Å; L92-G120 PolarHBondContact O-N 3.33Å; L92-D122 HydrophobicContact CB-CB 4.47Å; L92-V125 HydrophobicContact CD1-CG2 4.42Å; L92-K129 HydrophobicContact CD2-CB 3.62Å; L92-K129 HydrophobicContact CD2-CD 4.16Å; L92-K129 HydrophobicContact CD2-CG 3.99Å; L92-L130 HydrophobicContact CD1-CD2 3.98Å; L92-A133 HydrophobicContact CD1-CB 4.02Å
93G96.9Very high97.6Very high17 Ų1739 Ų3918%0.17524%0.242CC..SBendtrans165.2177175.800000113.4
94G93.3Very high97.7Very high23 Ų2335.1 Ų35.124%0.23723%0.23CC..  trans-72.7-178.4174.700000114.3G96 L97 N98 L121G94-G96 VanDerWaalsContact C-N 3.31Å; G94-G96 PolarHBondContact O-N 2.86Å; G94-L97 PolarHBondContact O-N 2.92Å; G94-N98 PolarHBondContact O-N 3.06Å; G94-L121 PolarHBondContact N-O 2.96Å
95S93.9Very high97.7Very high70 Ų7035.2 Ų35.249%0.4924%0.237SC..Hα-helixtrans-61.5-35.5-179.6530000113.2L97 N98 T99S95-L97 VanDerWaalsContact C-N 3.32Å; S95-L97 PolarHBondContact O-N 2.9Å; S95-N98 PolarHBondContact O-N 3.15Å; S95-N98 VanDerWaalsContact O-N 3.14Å; S95-T99 PolarHBondContact O-N 3.35Å; S95-T99 PolarHBondContact O-OG1 3.28Å
96G96.1Very high97.7Very high4 Ų430.3 Ų30.34%0.04121%0.205CC..Hα-helixtrans-55.1-45.5177.300000113T47 G94 A100T47-G96 PolarHBondContact O-N 3.23Å; G94-G96 VanDerWaalsContact C-N 3.31Å; G94-G96 PolarHBondContact O-N 2.86Å; G96-A100 WeakPolarHBondContact O-CB 3.29Å; G96-A100 PolarHBondContact O-N 2.79Å
97L98.3Very high97.7Very high0 Ų031.5 Ų31.50%020%0.203CC..Hα-helixtrans-66.6-41.6175.8-177.958.9000112.4S46 A73 M91 G94 S95 A100 L101 V118 T146S46-L97 PolarHBondContact O-N 2.68Å; A73-L97 HydrophobicContact CB-CB 4.28Å; A73-L97 HydrophobicContact CB-CD1 4.02Å; M91-L97 HydrophobicContact CB-CD2 4.44Å; M91-L97 HydrophobicContact CE-CB 3.87Å; M91-L97 HydrophobicContact CE-CD2 3.91Å; M91-L97 HydrophobicContact CE-CG 3.79Å; M91-L97 HydrophobicContact SD-CG 4.44Å; G94-L97 PolarHBondContact O-N 2.92Å; S95-L97 VanDerWaalsContact C-N 3.32Å; S95-L97 PolarHBondContact O-N 2.9Å; L97-A100 PolarHBondContact O-N 3.31Å; L97-L101 HydrophobicContact CD1-CD1 3.82Å; L97-L101 HydrophobicContact CD1-CD2 4.48Å; L97-L101 HydrophobicContact CD1-CG 3.94Å; L97-L101 HydrophobicContact CG-CD1 3.83Å; L97-L101 HydrophobicContact CG-CG 4.38Å; L97-L101 WeakPolarHBondContact O-CB 3.19Å; L97-L101 VanDerWaalsContact O-CG 3.27Å; L97-L101 WeakPolarHBondContact O-CG 3.48Å; L97-L101 PolarHBondContact O-N 2.8Å; L97-V118 HydrophobicContact CD1-CG1 4.15Å; L97-V118 HydrophobicContact CD2-CG1 4.01Å; L97-T146 HydrophobicContact CD1-CG2 3.83Å; L97-T146 HydrophobicContact CD2-CG2 4.04Å
98N97.9Very high97.7Very high68 Ų6833.8 Ų33.836%0.36421%0.214SC..Hα-helixtrans-61.9-47.2178.7-172.2-76.4000112.1M91 G94 S95 T102M91-N98 HydrophobicContact CE-CB 3.91Å; M91-N98 WeakPolarHBondContact SD-CA 3.45Å; M91-N98 HydrophobicContact SD-CB 3.65Å; G94-N98 PolarHBondContact O-N 3.06Å; S95-N98 PolarHBondContact O-N 3.15Å; S95-N98 VanDerWaalsContact O-N 3.14Å; N98-T102 WeakPolarHBondContact O-CB 3.35Å; N98-T102 PolarHBondContact O-N 3.16Å; N98-T102 PolarHBondContact O-OG1 3.08Å
99T98Very high97.7Very high45 Ų4537.8 Ų37.828%0.27623%0.23SC..Hα-helixtrans-59.7-52176.7-63.20000110.6T49 S95 L101 T102 E103T49-T99 HydrophobicContact CG2-CG2 4.45Å; S95-T99 PolarHBondContact O-N 3.35Å; S95-T99 PolarHBondContact O-OG1 3.28Å; T99-L101 PolarHBondContact O-N 2.9Å; T99-T102 PolarHBondContact O-N 3.16Å; T99-E103 VanDerWaalsContact CG2-CD 3.5Å; T99-E103 HydrophobicContact CG2-CG 4.18Å; T99-E103 WeakPolarHBondContact CG2-OE1 3.37Å; T99-E103 WeakPolarHBondContact O-CB 3.47Å; T99-E103 WeakPolarHBondContact O-CG 3.5Å; T99-E103 PolarHBondContact O-N 2.94Å
100A98.2Very high97.6Very high6 Ų643.9 Ų43.95%0.0526%0.263CS..Hα-helixtrans-56.5-48.6-178.900000112.7A73 L74 A77 G96 L97 A104A73-A100 HydrophobicContact CB-CB 4.1Å; L74-A100 HydrophobicContact CD2-CB 3.94Å; A77-A100 VanDerWaalsContact CB-C 3.44Å; A77-A100 HydrophobicContact CB-CB 3.95Å; A77-A100 VanDerWaalsContact CB-O 3.27Å; A77-A100 WeakPolarHBondContact CB-O 3.4Å; G96-A100 WeakPolarHBondContact O-CB 3.29Å; G96-A100 PolarHBondContact O-N 2.79Å; L97-A100 PolarHBondContact O-N 3.31Å; A100-A104 WeakPolarHBondContact O-CB 3.48Å; A100-A104 PolarHBondContact O-N 3.35Å; A100-A104 VanDerWaalsContact O-N 3.08Å
101L98.7Very high97.5Very high0 Ų047.3 Ų47.30%028%0.281CS..Hα-helixtrans-63.7-43.3179.5-68.4169.1000111.8A77 I80 V89 M91 L97 T99 A104 L106 I108A77-L101 HydrophobicContact CB-CD2 4Å; A77-L101 HydrophobicContact CB-CG 4.43Å; I80-L101 HydrophobicContact CD1-CD2 4.11Å; V89-L101 HydrophobicContact CG1-CD1 4.03Å; M91-L101 HydrophobicContact CB-CD1 3.91Å; M91-L101 HydrophobicContact CG-CD1 4.3Å; M91-L101 HydrophobicContact SD-CD1 3.89Å; L97-L101 HydrophobicContact CD1-CD1 3.82Å; L97-L101 HydrophobicContact CD1-CD2 4.48Å; L97-L101 HydrophobicContact CD1-CG 3.94Å; L97-L101 HydrophobicContact CG-CD1 3.83Å; L97-L101 HydrophobicContact CG-CG 4.38Å; L97-L101 WeakPolarHBondContact O-CB 3.19Å; L97-L101 VanDerWaalsContact O-CG 3.27Å; L97-L101 WeakPolarHBondContact O-CG 3.48Å; L97-L101 PolarHBondContact O-N 2.8Å; T99-L101 PolarHBondContact O-N 2.9Å; L101-A104 PolarHBondContact O-N 3.16Å; L101-L106 HydrophobicContact CB-CD1 4.33Å; L101-L106 HydrophobicContact CD2-CD1 3.52Å; L101-L106 VanDerWaalsContact O-CB 3.26Å; L101-L106 WeakPolarHBondContact O-CB 3.38Å; L101-L106 PolarHBondContact O-N 3.22Å; L101-L106 VanDerWaalsContact O-N 3.07Å; L101-I108 HydrophobicContact CB-CD1 3.73Å; L101-I108 HydrophobicContact CD1-CD1 3.75Å; L101-I108 HydrophobicContact CG-CD1 4.38Å
102T98.3Very high97.5Very high72 Ų7249.3 Ų49.344%0.44229%0.291SS..Hα-helixtrans-68.3-41.9-178.1-54.90000111.6N98 T99 A104 G105N98-T102 WeakPolarHBondContact O-CB 3.35Å; N98-T102 PolarHBondContact O-N 3.16Å; N98-T102 PolarHBondContact O-OG1 3.08Å; T99-T102 PolarHBondContact O-N 3.16Å; T102-A104 VanDerWaalsContact C-N 3.31Å; T102-A104 PolarHBondContact O-N 2.65Å; T102-G105 PolarHBondContact O-N 2.77Å
103E97.8Very high97.5Very high151 Ų15155.5 Ų55.571%0.70632%0.319SS*.Hα-helixtrans-68.6-29.8178.4-71.9-179.7171.700112.6T99 G105T99-E103 VanDerWaalsContact CG2-CD 3.5Å; T99-E103 HydrophobicContact CG2-CG 4.18Å; T99-E103 WeakPolarHBondContact CG2-OE1 3.37Å; T99-E103 WeakPolarHBondContact O-CB 3.47Å; T99-E103 WeakPolarHBondContact O-CG 3.5Å; T99-E103 PolarHBondContact O-N 2.94Å; E103-G105 PolarHBondContact O-N 3Å
104A98Very high97.6Very high34 Ų3455.2 Ų55.228%0.28131%0.314SS..THydrogen-bonded Turntrans-732.8169.900000113.7A77 A100 L101 T102A77-A104 HydrophobicContact CB-CB 3.84Å; A100-A104 WeakPolarHBondContact O-CB 3.48Å; A100-A104 PolarHBondContact O-N 3.35Å; A100-A104 VanDerWaalsContact O-N 3.08Å; L101-A104 PolarHBondContact O-N 3.16Å; T102-A104 VanDerWaalsContact C-N 3.31Å; T102-A104 PolarHBondContact O-N 2.65Å
105G98.4Very high97.8Very high45 Ų4558.2 Ų58.246%0.46433%0.325SS..THydrogen-bonded Turntrans80.115.5177.200000114.7G86 T102 E103G86-G105 WeakPolarHBondContact CA-O 3.27Å; T102-G105 PolarHBondContact O-N 2.77Å; E103-G105 PolarHBondContact O-N 3Å
106L98.7Very high98.1Very high8 Ų855.9 Ų55.94%0.04231%0.305CS..  trans-82.9151.2176.5-56168.6000111I80 A87 V89 L101I80-L106 HydrophobicContact CB-CD1 3.86Å; I80-L106 HydrophobicContact CG2-CD1 3.72Å; I80-L106 HydrophobicContact CG2-CD2 3.74Å; I80-L106 HydrophobicContact CG2-CG 4.4Å; A87-L106 HydrophobicContact CB-CD2 4.13Å; V89-L106 HydrophobicContact CG2-CB 4.01Å; V89-L106 HydrophobicContact CG2-CD1 4.2Å; L101-L106 HydrophobicContact CB-CD1 4.33Å; L101-L106 HydrophobicContact CD2-CD1 3.52Å; L101-L106 VanDerWaalsContact O-CB 3.26Å; L101-L106 WeakPolarHBondContact O-CB 3.38Å; L101-L106 PolarHBondContact O-N 3.22Å; L101-L106 VanDerWaalsContact O-N 3.07Å
107V98.5Very high98.2Very high71 Ų7155.7 Ų55.743%0.4330%0.303SS..EExtended strand (participates in β ladder)trans-101.2102.2-174.7-176.30000110.3A87 S88 V89 K109A87-V107 PolarHBondContact O-N 3.44Å; S88-V107 CarbonylContact C-O 3.58Å; S88-V107 VanDerWaalsContact CA-O 3.28Å; S88-V107 WeakPolarHBondContact CA-O 3.36Å; V89-V107 PolarHBondContact N-O 2.9Å; V107-K109 HydrophobicContact CG1-CG 4.21Å; V107-K109 PolarHBondContact O-N 3.09Å
108I98.5Very high98.2Very high56 Ų5655.7 Ų55.729%0.28730%0.303SS..EExtended strand (participates in β ladder)trans-68.3126.2174.8-53.9-53.6000110.4V89 M91 L101V89-I108 HydrophobicContact CB-CD1 4.08Å; V89-I108 HydrophobicContact CG1-CD1 4.37Å; V89-I108 WeakPolarHBondContact O-CA 3.43Å; M91-I108 HydrophobicContact CG-CD1 4.11Å; M91-I108 HydrophobicContact CG-CG2 4.04Å; M91-I108 HydrophobicContact SD-CD1 4.06Å; M91-I108 HydrophobicContact SD-CG1 4.49Å; L101-I108 HydrophobicContact CB-CD1 3.73Å; L101-I108 HydrophobicContact CD1-CD1 3.75Å; L101-I108 HydrophobicContact CG-CD1 4.38Å
109K98.1Very high98.3Very high92 Ų9252.4 Ų52.440%0.429%0.286SS..  trans-128.7148.1175.4-63.6-175.6-173.5163.30110.5S88 V89 Y90 V107 D111 V114S88-K109 VanDerWaalsContact CB-CE 3.48Å; S88-K109 PolarHBondContact OG-NZ 3.44Å; V89-K109 PolarHBondContact O-N 2.85Å; Y90-K109 WeakPolarHBondContact CD2-O 3.4Å; V107-K109 HydrophobicContact CG1-CG 4.21Å; V107-K109 PolarHBondContact O-N 3.09Å; K109-D111 HydrophobicContact CB-CB 4.33Å; K109-V114 HydrophobicContact CB-CG1 3.93Å; K109-V114 HydrophobicContact CD-CG1 4.37Å
110N97.2Very high98.3Very high128 Ų12850.3 Ų50.368%0.68427%0.273SS*.  trans-100.669.3168.2-173.749.7000108.9Y90Y90-N110 WeakPolarHBondContact CE2-OD1 3.45Å
111D96.5Very high98.2Very high77 Ų7751 Ų5141%0.41228%0.275SS..SBendtrans-145.1156.2-173.6-158.8-67.9000110.3K109 H113 V114K109-D111 HydrophobicContact CB-CB 4.33Å; D111-H113 VanDerWaalsContact C-N 3.34Å; D111-H113 WeakPolarHBondContact OD1-CB 3.37Å; D111-H113 IonicContact OD1-CG 2.71Å; D111-H113 PolarHBondContact OD1-N 3.42Å; D111-H113 IonicContact OD1-ND1 3.66Å; D111-H113 PolarHBondContact OD1-ND1 3.08Å; D111-V114 HydrophobicContact CB-CG1 4.49Å
112E97.9Very high98.1Very high67 Ų6751.5 Ų51.531%0.31328%0.278SS..SBendtrans-86.4-5.8175.6-57.7171.5-166.900112.5I132 L135 G136 N139E112-I132 HydrophobicContact CG-CG2 4.08Å; E112-L135 HydrophobicContact CB-CB 4.11Å; E112-L135 HydrophobicContact CG-CB 3.82Å; E112-L135 HydrophobicContact CG-CD1 4.27Å; E112-L135 VanDerWaalsContact OE1-CD1 3.22Å; E112-L135 WeakPolarHBondContact OE1-CD1 3.43Å; E112-L135 WeakPolarHBondContact OE2-CD1 3.48Å; E112-G136 VanDerWaalsContact O-CA 3.31Å; E112-G136 WeakPolarHBondContact O-CA 3.16Å; E112-N139 PolarHBondContact O-ND2 3.25Å
113H98.3Very high97.9Very high131 Ų13153.4 Ų53.461%0.60628%0.282SS*.  trans-114.182.8176.5-56.584.8000109.1D111D111-H113 VanDerWaalsContact C-N 3.34Å; D111-H113 WeakPolarHBondContact OD1-CB 3.37Å; D111-H113 IonicContact OD1-CG 2.71Å; D111-H113 PolarHBondContact OD1-N 3.42Å; D111-H113 IonicContact OD1-ND1 3.66Å; D111-H113 PolarHBondContact OD1-ND1 3.08Å
114V98.7Very high97.8Very high12 Ų1253.2 Ų53.27%0.07328%0.281CS..  trans-129.4159.3178-690000109.4K109 D111 Y116 V117 A141K109-V114 HydrophobicContact CB-CG1 3.93Å; K109-V114 HydrophobicContact CD-CG1 4.37Å; D111-V114 HydrophobicContact CB-CG1 4.49Å; V114-Y116 WeakPolarHBondContact CG2-O 3.28Å; V114-V117 HydrophobicContact CG2-CG2 4.06Å; V114-A141 HydrophobicContact CG2-CB 4.11Å; V114-A141 VanDerWaalsContact O-CB 3.28Å; V114-A141 WeakPolarHBondContact O-CB 3.48Å
115D98.7Very high97.8Very high86 Ų8653.9 Ų53.946%0.4628%0.282SS..SBendtrans-75.2-33.3178-53.2-64.1000110.8A87 S88 A141 T142A87-D115 HydrophobicContact CB-CB 4.1Å; S88-D115 WeakPolarHBondContact CB-OD2 3.19Å; S88-D115 PolarHBondContact N-OD2 3.05Å; S88-D115 WeakPolarHBondContact O-CB 3.27Å; S88-D115 PolarHBondContact O-N 2.76Å; S88-D115 PolarHBondContact OG-N 3.05Å; S88-D115 PolarHBondContact OG-OD2 3.47Å; D115-A141 WeakPolarHBondContact O-CA 3.38Å; D115-T142 PolarHBondContact O-N 3.24Å
116Y98.9Very high97.8Very high20 Ų2055 Ų558%0.07828%0.28CS..EExtended strand (participates in β ladder)trans-133.4142.7-179-66.5-97.6000112.6I80 S84 A87 S88 V89 Y90 V114 T142 I144I80-Y116 HydrophobicContact CD1-CD1 4.35Å; I80-Y116 HydrophobicContact CG1-CD1 4.16Å; I80-Y116 HydrophobicContact CG1-CE1 4.27Å; I80-Y116 HydrophobicContact CG2-CD1 4.19Å; I80-Y116 HydrophobicContact CG2-CD2 3.83Å; I80-Y116 HydrophobicContact CG2-CE1 4.17Å; I80-Y116 HydrophobicContact CG2-CE2 3.84Å; I80-Y116 HydrophobicContact CG2-CG 4.05Å; S84-Y116 PolarHBondContact OG-OH 3.04Å; A87-Y116 HydrophobicContact CB-CD2 3.8Å; A87-Y116 HydrophobicContact CB-CE2 3.73Å; S88-Y116 PolarHBondContact O-N 2.88Å; V89-Y116 WeakPolarHBondContact CA-O 3.41Å; Y90-Y116 PolarHBondContact N-O 2.77Å; V114-Y116 WeakPolarHBondContact CG2-O 3.28Å; Y116-T142 WeakPolarHBondContact CA-O 3.27Å; Y116-T142 HydrophobicContact CD1-CG2 3.92Å; Y116-T142 HydrophobicContact CE1-CG2 3.75Å; Y116-I144 HydrophobicContact CD1-CD1 3.69Å; Y116-I144 HydrophobicContact CD1-CG1 4.42Å; Y116-I144 HydrophobicContact CE1-CD1 3.91Å
117V98.9Very high97.7Very high0 Ų064.1 Ų64.10%032%0.315CS..EExtended strand (participates in β ladder)trans-110.2120162.81700000107.6Y90 V114 I119 A133 V137 A141 T142 F143 I144Y90-V117 HydrophobicContact CD1-CG1 4.43Å; Y90-V117 CarbonylContact O-C 3.48Å; Y90-V117 WeakPolarHBondContact O-CA 3.34Å; V114-V117 HydrophobicContact CG2-CG2 4.06Å; V117-I119 HydrophobicContact CG1-CG1 4.37Å; V117-A133 HydrophobicContact CG1-CB 3.83Å; V117-V137 HydrophobicContact CB-CG2 3.86Å; V117-V137 HydrophobicContact CG1-CG2 4.05Å; V117-V137 HydrophobicContact CG2-CG2 4.02Å; V117-A141 HydrophobicContact CG2-CB 3.82Å; V117-T142 PolarHBondContact N-O 3.37Å; V117-F143 HydrophobicContact CG1-CD2 4.26Å; V117-I144 PolarHBondContact O-N 2.7Å
118V98.8Very high97.7Very high0 Ų066.2 Ų66.20%032%0.32CS..EExtended strand (participates in β ladder)trans-117124.4-178.1-175.90000110.2T76 I80 V89 Y90 M91 L92 L97 I144 T146T76-V118 HydrophobicContact CG2-CG1 3.7Å; I80-V118 HydrophobicContact CD1-CG2 3.48Å; I80-V118 VanDerWaalsContact CD1-CG2 3.48Å; V89-V118 HydrophobicContact CG1-CB 4.04Å; V89-V118 HydrophobicContact CG1-CG2 3.55Å; Y90-V118 PolarHBondContact O-N 3.03Å; M91-V118 CarbonylContact C-O 3.58Å; M91-V118 VanDerWaalsContact CA-O 3.27Å; M91-V118 WeakPolarHBondContact CA-O 3.36Å; L92-V118 PolarHBondContact N-O 3.2Å; L97-V118 HydrophobicContact CD1-CG1 4.15Å; L97-V118 HydrophobicContact CD2-CG1 4.01Å; V118-I144 CarbonylContact C-O 3.36Å; V118-I144 WeakPolarHBondContact CA-O 3.49Å; V118-I144 HydrophobicContact CG2-CB 4.37Å; V118-T146 HydrophobicContact CG1-CG2 4.31Å
119I98.7Very high97.7Very high0 Ų066.6 Ų66.60%032%0.32CS..EExtended strand (participates in β ladder)trans-112.9115.9177.7-54.8-175.5000110.3L92 V117 F143 I144 S145 T146 N162 I165 T166 V169L92-I119 HydrophobicContact CB-CG1 4.44Å; L92-I119 HydrophobicContact CB-CG2 4.32Å; L92-I119 HydrophobicContact CD1-CD1 4.3Å; L92-I119 HydrophobicContact CD1-CG1 4.32Å; V117-I119 HydrophobicContact CG1-CG1 4.37Å; I119-F143 HydrophobicContact CD1-CE2 3.5Å; I119-F143 HydrophobicContact CD1-CZ 3.9Å; I119-F143 HydrophobicContact CG1-CE2 3.89Å; I119-I144 PolarHBondContact N-O 3.48Å; I119-S145 CarbonylContact O-C 3.19Å; I119-S145 VanDerWaalsContact O-CA 3.26Å; I119-S145 WeakPolarHBondContact O-CA 3.32Å; I119-S145 PolarHBondContact O-OG 3.31Å; I119-T146 PolarHBondContact O-N 3.48Å; I119-N162 WeakPolarHBondContact CG2-OD1 3.37Å; I119-N162 PolarHBondContact O-ND2 2.93Å; I119-N162 PolarHBondContact O-OD1 3.37Å; I119-I165 HydrophobicContact CG2-CG2 4.11Å; I119-T166 WeakPolarHBondContact CG2-OG1 3.16Å; I119-V169 HydrophobicContact CD1-CB 3.94Å; I119-V169 HydrophobicContact CD1-CG1 4.43Å; I119-V169 HydrophobicContact CD1-CG2 3.65Å
120G98.1Very high97.8Very high0 Ų063.4 Ų63.40%031%0.307CS..  trans-110.7-178.4159.100000110.9L92 D122 T146 N162L92-G120 CarbonylContact O-C 3.49Å; L92-G120 WeakPolarHBondContact O-CA 3.29Å; L92-G120 PolarHBondContact O-N 3.33Å; G120-D122 PolarHBondContact O-N 3.45Å; G120-D122 VanDerWaalsContact O-N 3.07Å; G120-T146 WeakPolarHBondContact CA-OG1 3.46Å; G120-N162 WeakPolarHBondContact CA-OD1 3.47Å; G120-N162 PolarHBondContact O-OD1 3.08Å; G120-N162 VanDerWaalsContact O-OD1 3.06Å
121L97.3Very high97.8Very high20 Ų2058.4 Ų58.411%0.10528%0.283CS..  trans-68.4110179.9178.965.1000110.4T47 G94 E123 I152 N162 I165T47-L121 HydrophobicContact CG2-CB 3.83Å; T47-L121 HydrophobicContact CG2-CD2 3.95Å; T47-L121 HydrophobicContact CG2-CG 4.15Å; G94-L121 PolarHBondContact N-O 2.96Å; L121-E123 HydrophobicContact CG-CG 4.36Å; L121-I152 HydrophobicContact CD1-CD1 4.22Å; L121-I152 HydrophobicContact CD2-CD1 3.5Å; L121-I152 HydrophobicContact CD2-CG2 4.37Å; L121-I152 HydrophobicContact CG-CD1 4.49Å; L121-N162 HydrophobicContact CB-CB 4.29Å; L121-N162 PolarHBondContact N-OD1 3.32Å; L121-I165 HydrophobicContact CD1-CD1 3.82Å
122D96.3Very high97.9Very high12 Ų1255.4 Ų55.46%0.06427%0.267CS..  trans-110.299.6171.5-173.8-5.9000109.8L92 G120 Q124 V125 K129L92-D122 HydrophobicContact CB-CB 4.47Å; G120-D122 PolarHBondContact O-N 3.45Å; G120-D122 VanDerWaalsContact O-N 3.07Å; D122-Q124 PolarHBondContact O-N 3.34Å; D122-Q124 WeakPolarHBondContact OD1-CA 3.24Å; D122-Q124 PolarHBondContact OD1-N 3.25Å; D122-V125 HydrophobicContact CB-CB 4.09Å; D122-V125 WeakPolarHBondContact O-CB 3.41Å; D122-V125 WeakPolarHBondContact O-CG1 3.32Å; D122-V125 PolarHBondContact O-N 3.01Å; D122-V125 VanDerWaalsContact O-N 3.15Å; D122-V125 PolarHBondContact OD1-N 3.08Å; D122-K129 IonicContact OD1-NZ 2.75Å; D122-K129 WeakPolarHBondContact OD2-CD 3.34Å; D122-K129 IonicContact OD2-NZ 2.6Å; D122-K129 PolarHBondContact OD2-NZ 3.32Å
123E93.7Very high98Very high112 Ų11252.2 Ų52.252%0.52325%0.252SS..THydrogen-bonded Turntrans-67.6-13.5177.5-60.9-170.1161.400113.1L121 K154L121-E123 HydrophobicContact CG-CG 4.36Å; E123-K154 WeakPolarHBondContact OE1-CE 3.43Å; E123-K154 IonicContact OE1-NZ 3.52Å; E123-K154 PolarHBondContact OE1-NZ 2.95Å; E123-K154 IonicContact OE2-NZ 2.65Å
124Q95.7Very high98Very high147 Ų14746.7 Ų46.769%0.68723%0.228SC*.THydrogen-bonded Turntrans-109.827.5176.7-55-60.3-28.100110.9D122 K129D122-Q124 PolarHBondContact O-N 3.34Å; D122-Q124 WeakPolarHBondContact OD1-CA 3.24Å; D122-Q124 PolarHBondContact OD1-N 3.25Å; Q124-K129 PolarHBondContact O-NZ 3.34Å
125V97.6Very high98Very high47 Ų4749 Ų4929%0.28524%0.239SC..  trans-62.6138.2176.569.20000110.3L92 D122 K129 L130 I165L92-V125 HydrophobicContact CD1-CG2 4.42Å; D122-V125 HydrophobicContact CB-CB 4.09Å; D122-V125 WeakPolarHBondContact O-CB 3.41Å; D122-V125 WeakPolarHBondContact O-CG1 3.32Å; D122-V125 PolarHBondContact O-N 3.01Å; D122-V125 VanDerWaalsContact O-N 3.15Å; D122-V125 PolarHBondContact OD1-N 3.08Å; V125-K129 HydrophobicContact CG2-CB 4.4Å; V125-L130 HydrophobicContact CG2-CD1 3.93Å; V125-L130 HydrophobicContact CG2-CD2 3.89Å; V125-L130 HydrophobicContact CG2-CG 3.64Å; V125-I165 HydrophobicContact CG1-CD1 4.27Å; V125-I165 HydrophobicContact CG2-CG2 4.3Å
126T98Very high98Very high69 Ų6944.9 Ų44.942%0.42322%0.218SC..  trans-121.3163.9177.966.80000110E128 K129 L130T126-E128 VanDerWaalsContact C-N 3.25Å; T126-E128 PolarHBondContact O-N 3.1Å; T126-K129 WeakPolarHBondContact O-CB 3.23Å; T126-K129 PolarHBondContact O-N 3.37Å; T126-K129 WeakPolarHBondContact OG1-CG 3.22Å; T126-K129 PolarHBondContact OG1-N 3.33Å; T126-L130 WeakPolarHBondContact O-CG 3.39Å; T126-L130 PolarHBondContact O-N 3.11Å; T126-L130 VanDerWaalsContact O-N 3.15Å
127Y98.2Very high98Very high199 Ų19944.5 Ų44.578%0.7822%0.217SC*.Hα-helixtrans-55.7-43.7172.8178.7-90.2000111.6K129 L130 A131Y127-K129 PolarHBondContact O-N 2.89Å; Y127-L130 PolarHBondContact O-N 3.07Å; Y127-A131 HydrophobicContact CE1-CB 4.33Å; Y127-A131 WeakPolarHBondContact O-CB 3.44Å; Y127-A131 PolarHBondContact O-N 3.45Å
128E98.3Very high98Very high115 Ų11552 Ų5254%0.53725%0.245SC..Hα-helixtrans-60.4-44.9179.2-175.860.2-16400112T126 L130 A131 I132T126-E128 VanDerWaalsContact C-N 3.25Å; T126-E128 PolarHBondContact O-N 3.1Å; E128-L130 VanDerWaalsContact C-N 3.28Å; E128-L130 PolarHBondContact O-N 3.12Å; E128-A131 WeakPolarHBondContact O-CB 3.18Å; E128-A131 PolarHBondContact O-N 3.49Å; E128-A131 VanDerWaalsContact O-N 3.1Å; E128-I132 HydrophobicContact CG-CD1 4.33Å; E128-I132 WeakPolarHBondContact O-CG1 3.35Å; E128-I132 PolarHBondContact O-N 3.19Å
129K98.6Very high98Very high64 Ų6455.9 Ų55.928%0.27827%0.266SS..Hα-helixtrans-57.3-42.4176.3-85.7178.5174.5-176.30112.4Y90 L92 D122 Q124 V125 T126 Y127 A133Y90-K129 WeakPolarHBondContact CE1-O 3.27Å; Y90-K129 VanDerWaalsContact OH-CA 3.23Å; Y90-K129 WeakPolarHBondContact OH-CA 3.47Å; Y90-K129 PolarHBondContact OH-O 2.9Å; L92-K129 HydrophobicContact CD2-CB 3.62Å; L92-K129 HydrophobicContact CD2-CD 4.16Å; L92-K129 HydrophobicContact CD2-CG 3.99Å; D122-K129 IonicContact OD1-NZ 2.75Å; D122-K129 WeakPolarHBondContact OD2-CD 3.34Å; D122-K129 IonicContact OD2-NZ 2.6Å; D122-K129 PolarHBondContact OD2-NZ 3.32Å; Q124-K129 PolarHBondContact O-NZ 3.34Å; V125-K129 HydrophobicContact CG2-CB 4.4Å; T126-K129 WeakPolarHBondContact O-CB 3.23Å; T126-K129 PolarHBondContact O-N 3.37Å; T126-K129 WeakPolarHBondContact OG1-CG 3.22Å; T126-K129 PolarHBondContact OG1-N 3.33Å; Y127-K129 PolarHBondContact O-N 2.89Å; K129-A133 PolarHBondContact O-N 2.95Å; K129-A133 VanDerWaalsContact O-N 3.17Å
130L98.7Very high98Very high26 Ų2658.9 Ų58.914%0.13630%0.297CS..Hα-helixtrans-70.8-34.4177.1-68.2162.9000112.1L92 V125 T126 Y127 E128 A133 T134 I165 V168 V169L92-L130 HydrophobicContact CD1-CD2 3.98Å; V125-L130 HydrophobicContact CG2-CD1 3.93Å; V125-L130 HydrophobicContact CG2-CD2 3.89Å; V125-L130 HydrophobicContact CG2-CG 3.64Å; T126-L130 WeakPolarHBondContact O-CG 3.39Å; T126-L130 PolarHBondContact O-N 3.11Å; T126-L130 VanDerWaalsContact O-N 3.15Å; Y127-L130 PolarHBondContact O-N 3.07Å; E128-L130 VanDerWaalsContact C-N 3.28Å; E128-L130 PolarHBondContact O-N 3.12Å; L130-A133 PolarHBondContact O-N 2.89Å; L130-T134 VanDerWaalsContact O-CB 3.31Å; L130-T134 WeakPolarHBondContact O-CB 3.36Å; L130-T134 PolarHBondContact O-N 2.9Å; L130-T134 PolarHBondContact O-OG1 3.37Å; L130-I165 HydrophobicContact CD2-CG2 4.16Å; L130-V168 HydrophobicContact CD1-CG1 4.12Å; L130-V168 HydrophobicContact CD2-CB 4.27Å; L130-V168 HydrophobicContact CD2-CG1 4.39Å; L130-V169 HydrophobicContact CD2-CG2 3.91Å
131A98.6Very high98Very high22 Ų2259.3 Ų59.318%0.18230%0.3CS..Hα-helixtrans-63.9-47.1175.400000110.8Y127 E128 A133 T134 L135Y127-A131 HydrophobicContact CE1-CB 4.33Å; Y127-A131 WeakPolarHBondContact O-CB 3.44Å; Y127-A131 PolarHBondContact O-N 3.45Å; E128-A131 WeakPolarHBondContact O-CB 3.18Å; E128-A131 PolarHBondContact O-N 3.49Å; E128-A131 VanDerWaalsContact O-N 3.1Å; A131-A133 PolarHBondContact O-N 2.63Å; A131-T134 WeakPolarHBondContact O-CB 3.31Å; A131-T134 PolarHBondContact O-N 3.21Å; A131-T134 VanDerWaalsContact O-N 3.15Å; A131-L135 WeakPolarHBondContact O-CG 3.14Å; A131-L135 PolarHBondContact O-N 2.97Å
132I98.7Very high98.1Very high15 Ų1561.5 Ų61.58%0.07732%0.315CS..Hα-helixtrans-60.7-45.6176.1-62.7167.9000110.7Y90 E112 E128 T134 L135 G136Y90-I132 HydrophobicContact CD1-CG2 4.13Å; Y90-I132 HydrophobicContact CD2-CG2 3.74Å; Y90-I132 HydrophobicContact CE1-CB 4.06Å; Y90-I132 HydrophobicContact CE1-CG2 3.85Å; Y90-I132 HydrophobicContact CE2-CB 4.11Å; Y90-I132 HydrophobicContact CE2-CD1 4.47Å; Y90-I132 HydrophobicContact CE2-CG2 3.48Å; Y90-I132 VanDerWaalsContact CE2-CG2 3.48Å; Y90-I132 HydrophobicContact CG-CG2 4.07Å; E112-I132 HydrophobicContact CG-CG2 4.08Å; E128-I132 HydrophobicContact CG-CD1 4.33Å; E128-I132 WeakPolarHBondContact O-CG1 3.35Å; E128-I132 PolarHBondContact O-N 3.19Å; I132-T134 VanDerWaalsContact C-N 3.32Å; I132-T134 PolarHBondContact O-N 2.95Å; I132-L135 PolarHBondContact O-N 3.31Å; I132-G136 PolarHBondContact O-N 3.31Å
133A98.8Very high98.2Very high0 Ų061.3 Ų61.30%031%0.314CS..Hα-helixtrans-57.8-45174.100000112.1Y90 L92 V117 K129 L130 A131 G136 V137 V169Y90-A133 HydrophobicContact CD1-CB 4.1Å; Y90-A133 HydrophobicContact CE1-CB 3.78Å; L92-A133 HydrophobicContact CD1-CB 4.02Å; V117-A133 HydrophobicContact CG1-CB 3.83Å; K129-A133 PolarHBondContact O-N 2.95Å; K129-A133 VanDerWaalsContact O-N 3.17Å; L130-A133 PolarHBondContact O-N 2.89Å; A131-A133 PolarHBondContact O-N 2.63Å; A133-G136 PolarHBondContact O-N 3.5Å; A133-V137 WeakPolarHBondContact O-CG2 3.35Å; A133-V137 PolarHBondContact O-N 3.18Å; A133-V169 HydrophobicContact CB-CG1 4.35Å; A133-V169 HydrophobicContact CB-CG2 3.78Å
134T98.8Very high98.4Very high15 Ų1556 Ų569%0.09229%0.289CS..Hα-helixtrans-62.9-43.6-179.9-620000111.6L130 A131 I132 R138 T173L130-T134 VanDerWaalsContact O-CB 3.31Å; L130-T134 WeakPolarHBondContact O-CB 3.36Å; L130-T134 PolarHBondContact O-N 2.9Å; L130-T134 PolarHBondContact O-OG1 3.37Å; A131-T134 WeakPolarHBondContact O-CB 3.31Å; A131-T134 PolarHBondContact O-N 3.21Å; A131-T134 VanDerWaalsContact O-N 3.15Å; I132-T134 VanDerWaalsContact C-N 3.32Å; I132-T134 PolarHBondContact O-N 2.95Å; T134-R138 WeakPolarHBondContact O-CG 3.37Å; T134-R138 PolarHBondContact O-N 3.14Å; T134-T173 HydrophobicContact CG2-CG2 3.78Å
135L98.8Very high98.6Very high59 Ų5949 Ų4931%0.30926%0.256SS..Hα-helixtrans-68.8-41.2177.7-68.2169.2000111E112 A131 I132 V137 R138 N139E112-L135 HydrophobicContact CB-CB 4.11Å; E112-L135 HydrophobicContact CG-CB 3.82Å; E112-L135 HydrophobicContact CG-CD1 4.27Å; E112-L135 VanDerWaalsContact OE1-CD1 3.22Å; E112-L135 WeakPolarHBondContact OE1-CD1 3.43Å; E112-L135 WeakPolarHBondContact OE2-CD1 3.48Å; A131-L135 WeakPolarHBondContact O-CG 3.14Å; A131-L135 PolarHBondContact O-N 2.97Å; I132-L135 PolarHBondContact O-N 3.31Å; L135-V137 PolarHBondContact O-N 3.03Å; L135-R138 CarbonylContact O-C 3.58Å; L135-R138 PolarHBondContact O-N 3.31Å; L135-R138 VanDerWaalsContact O-N 3.13Å; L135-N139 WeakPolarHBondContact O-CB 3.3Å; L135-N139 PolarHBondContact O-N 3.3Å; L135-N139 PolarHBondContact O-ND2 3.34Å
136G98.8Very high98.6Very high1 Ų146.8 Ų46.81%0.0124%0.242CC..Hα-helixtrans-53.9-50.5172.700000113.2E112 I132 A133 R138 N139 G140 A141E112-G136 VanDerWaalsContact O-CA 3.31Å; E112-G136 WeakPolarHBondContact O-CA 3.16Å; I132-G136 PolarHBondContact O-N 3.31Å; A133-G136 PolarHBondContact O-N 3.5Å; G136-R138 PolarHBondContact O-N 3.31Å; G136-N139 PolarHBondContact O-N 2.82Å; G136-G140 PolarHBondContact O-N 3.2Å; G136-A141 WeakPolarHBondContact O-CB 3.19Å; G136-A141 PolarHBondContact O-N 3.35Å
137V98.8Very high98.6Very high11 Ų1143.8 Ų43.87%0.06722%0.224CC..Hα-helixtrans-63.7-39.7176.7174.20000111.6V117 A133 L135 N139 G140 F143 V169 T173 V175V117-V137 HydrophobicContact CB-CG2 3.86Å; V117-V137 HydrophobicContact CG1-CG2 4.05Å; V117-V137 HydrophobicContact CG2-CG2 4.02Å; A133-V137 WeakPolarHBondContact O-CG2 3.35Å; A133-V137 PolarHBondContact O-N 3.18Å; L135-V137 PolarHBondContact O-N 3.03Å; V137-N139 VanDerWaalsContact C-N 3.3Å; V137-N139 PolarHBondContact O-N 2.84Å; V137-G140 PolarHBondContact O-N 3.29Å; V137-G140 VanDerWaalsContact O-N 3.12Å; V137-F143 HydrophobicContact CG1-CB 4.24Å; V137-F143 HydrophobicContact CG1-CD1 4.47Å; V137-F143 HydrophobicContact CG2-CB 3.82Å; V137-F143 HydrophobicContact CG2-CD1 4.31Å; V137-F143 HydrophobicContact CG2-CD2 4.02Å; V137-F143 HydrophobicContact CG2-CG 3.79Å; V137-V169 HydrophobicContact CG2-CG1 4.16Å; V137-T173 HydrophobicContact CB-CG2 3.9Å; V137-T173 HydrophobicContact CG1-CG2 3.81Å; V137-V175 HydrophobicContact CG1-CB 3.92Å; V137-V175 HydrophobicContact CG1-CG1 4.15Å; V137-V175 HydrophobicContact CG1-CG2 4.01Å
138R98.6Very high98.5Very high157 Ų15735.8 Ų35.859%0.59220%0.196SC*.Hα-helixtrans-66.7-30.9175.9-75.8176.6176.4-1741113.3T134 L135 G136 G140 S172 T173T134-R138 WeakPolarHBondContact O-CG 3.37Å; T134-R138 PolarHBondContact O-N 3.14Å; L135-R138 CarbonylContact O-C 3.58Å; L135-R138 PolarHBondContact O-N 3.31Å; L135-R138 VanDerWaalsContact O-N 3.13Å; G136-R138 PolarHBondContact O-N 3.31Å; R138-G140 PolarHBondContact O-N 2.94Å; R138-S172 PolarHBondContact NH2-O 2.83Å; R138-T173 HydrophobicContact CG-CG2 4.28Å
139N98.6Very high98.3Very high83 Ų8332.5 Ų32.544%0.44418%0.183SC..THydrogen-bonded Turntrans-77.4-2.3175.4-67.5-19000112.5E112 L135 G136 V137E112-N139 PolarHBondContact O-ND2 3.25Å; L135-N139 WeakPolarHBondContact O-CB 3.3Å; L135-N139 PolarHBondContact O-N 3.3Å; L135-N139 PolarHBondContact O-ND2 3.34Å; G136-N139 PolarHBondContact O-N 2.82Å; V137-N139 VanDerWaalsContact C-N 3.3Å; V137-N139 PolarHBondContact O-N 2.84Å
140G98.2Very high98Very high63 Ų6334.5 Ų34.565%0.64920%0.2SC*.THydrogen-bonded Turntrans103.98172.700000115G136 V137 R138G136-G140 PolarHBondContact O-N 3.2Å; V137-G140 PolarHBondContact O-N 3.29Å; V137-G140 VanDerWaalsContact O-N 3.12Å; R138-G140 PolarHBondContact O-N 2.94Å
141A98.7Very high97.7Very high8 Ų836 Ų367%0.06621%0.212CC..  trans-61.4140173.200000110.9V114 D115 V117 G136 F143V114-A141 HydrophobicContact CG2-CB 4.11Å; V114-A141 VanDerWaalsContact O-CB 3.28Å; V114-A141 WeakPolarHBondContact O-CB 3.48Å; D115-A141 WeakPolarHBondContact O-CA 3.38Å; V117-A141 HydrophobicContact CG2-CB 3.82Å; G136-A141 WeakPolarHBondContact O-CB 3.19Å; G136-A141 PolarHBondContact O-N 3.35Å; A141-F143 PolarHBondContact O-N 2.9Å
142T98.7Very high97.2Very high66 Ų6636.2 Ų36.241%0.40521%0.21SC..EExtended strand (participates in β ladder)trans-68126.5174.5-60.30000109.4D115 Y116 V117 I144D115-T142 PolarHBondContact O-N 3.24Å; Y116-T142 WeakPolarHBondContact CA-O 3.27Å; Y116-T142 HydrophobicContact CD1-CG2 3.92Å; Y116-T142 HydrophobicContact CE1-CG2 3.75Å; V117-T142 PolarHBondContact N-O 3.37Å; T142-I144 HydrophobicContact CG2-CD1 4.47Å; T142-I144 HydrophobicContact CG2-CG1 4.27Å
143F98.8Very high96.6Very high9 Ų940.7 Ų40.74%0.03924%0.24CC..EExtended strand (participates in β ladder)trans-94.9113.1-174.1-174.9-158.4000111.4V117 I119 V137 A141 T166 V169 V175 P177 Q178V117-F143 HydrophobicContact CG1-CD2 4.26Å; I119-F143 HydrophobicContact CD1-CE2 3.5Å; I119-F143 HydrophobicContact CD1-CZ 3.9Å; I119-F143 HydrophobicContact CG1-CE2 3.89Å; V137-F143 HydrophobicContact CG1-CB 4.24Å; V137-F143 HydrophobicContact CG1-CD1 4.47Å; V137-F143 HydrophobicContact CG2-CB 3.82Å; V137-F143 HydrophobicContact CG2-CD1 4.31Å; V137-F143 HydrophobicContact CG2-CD2 4.02Å; V137-F143 HydrophobicContact CG2-CG 3.79Å; A141-F143 PolarHBondContact O-N 2.9Å; F143-T166 HydrophobicContact CE1-CG2 4.46Å; F143-T166 HydrophobicContact CE2-CG2 4.19Å; F143-T166 HydrophobicContact CZ-CG2 3.63Å; F143-V169 HydrophobicContact CE1-CB 4.49Å; F143-V169 HydrophobicContact CE1-CG1 4.14Å; F143-V169 HydrophobicContact CE2-CG1 4.21Å; F143-V169 HydrophobicContact CZ-CB 3.93Å; F143-V169 HydrophobicContact CZ-CG1 3.82Å; F143-V175 HydrophobicContact CB-CG1 4.42Å; F143-V175 HydrophobicContact CD1-CG1 4.29Å; F143-P177 HydrophobicContact CD1-CB 3.79Å; F143-P177 HydrophobicContact CD2-CB 4.13Å; F143-P177 HydrophobicContact CE1-CB 3.72Å; F143-P177 HydrophobicContact CE1-CG 4.15Å; F143-P177 HydrophobicContact CE2-CB 4.04Å; F143-P177 HydrophobicContact CG-CB 4Å; F143-P177 HydrophobicContact CZ-CB 3.85Å; F143-P177 HydrophobicContact CZ-CG 4.36Å; F143-P177 CarbonylContact O-C 3.47Å; F143-P177 WeakPolarHBondContact O-CA 3.25Å; F143-Q178 PolarHBondContact O-N 3.35Å
144I98.8Very high95.9Very high0 Ų045 Ų450%026%0.259CS..EExtended strand (participates in β ladder)trans-120.8145.1179.7-64177000110T76 Y79 I80 Y116 V117 V118 I119 T142 Q178 I180T76-I144 HydrophobicContact CG2-CG2 3.78Å; Y79-I144 HydrophobicContact CD1-CD1 4.11Å; Y79-I144 HydrophobicContact CE1-CD1 4.09Å; I80-I144 HydrophobicContact CD1-CD1 3.87Å; I80-I144 HydrophobicContact CG1-CD1 3.59Å; Y116-I144 HydrophobicContact CD1-CD1 3.69Å; Y116-I144 HydrophobicContact CD1-CG1 4.42Å; Y116-I144 HydrophobicContact CE1-CD1 3.91Å; V117-I144 PolarHBondContact O-N 2.7Å; V118-I144 CarbonylContact C-O 3.36Å; V118-I144 WeakPolarHBondContact CA-O 3.49Å; V118-I144 HydrophobicContact CG2-CB 4.37Å; I119-I144 PolarHBondContact N-O 3.48Å; T142-I144 HydrophobicContact CG2-CD1 4.47Å; T142-I144 HydrophobicContact CG2-CG1 4.27Å; I144-Q178 WeakPolarHBondContact CA-O 3.5Å; I144-Q178 HydrophobicContact CG1-CB 4.37Å; I144-I180 HydrophobicContact CG2-CD1 4.03Å; I144-I180 HydrophobicContact CG2-CG1 3.61Å
145S98.7Very high95.2Very high0 Ų054.2 Ų54.20%030%0.301CS..EExtended strand (participates in β ladder)trans-130135.8170.7-176.30000111I119 N147 N162 T166 Q178 F179 I180I119-S145 CarbonylContact O-C 3.19Å; I119-S145 VanDerWaalsContact O-CA 3.26Å; I119-S145 WeakPolarHBondContact O-CA 3.32Å; I119-S145 PolarHBondContact O-OG 3.31Å; S145-N147 VanDerWaalsContact C-N 3.29Å; S145-N147 PolarHBondContact O-N 3.46Å; S145-N147 PolarHBondContact OG-O 3.28Å; S145-N162 PolarHBondContact OG-ND2 3.14Å; S145-T166 PolarHBondContact OG-OG1 3.42Å; S145-Q178 PolarHBondContact N-O 2.74Å; S145-F179 WeakPolarHBondContact O-CA 3.35Å; S145-I180 PolarHBondContact O-N 3.29Å; S145-I180 VanDerWaalsContact O-N 3.16Å
146T98.3Very high94.6Very high0 Ų061.6 Ų61.60%033%0.325CS..SBendtrans-63.6-34.6-172.659.80000112.4S46 S72 T76 L97 V118 I119 G120 N162 G181S46-T146 WeakPolarHBondContact CB-OG1 3.44Å; S46-T146 PolarHBondContact OG-OG1 2.95Å; S72-T146 VanDerWaalsContact CB-O 3.27Å; S72-T146 WeakPolarHBondContact CB-O 3.36Å; T76-T146 HydrophobicContact CG2-CG2 4.49Å; L97-T146 HydrophobicContact CD1-CG2 3.83Å; L97-T146 HydrophobicContact CD2-CG2 4.04Å; V118-T146 HydrophobicContact CG1-CG2 4.31Å; I119-T146 PolarHBondContact O-N 3.48Å; G120-T146 WeakPolarHBondContact CA-OG1 3.46Å; T146-N162 PolarHBondContact OG1-ND2 3.18Å; T146-G181 WeakPolarHBondContact O-CA 3.21Å; T146-G181 PolarHBondContact O-N 2.93Å
147N97.2Very high94.2Very high6 Ų663.1 Ų63.13%0.03234%0.341CS..  trans-159.5158.5176.667.367000111.4N44 S145 D149 N162N44-N147 HydrophobicContact CB-CB 3.81Å; N44-N147 PolarHBondContact O-ND2 3.36Å; S145-N147 VanDerWaalsContact C-N 3.29Å; S145-N147 PolarHBondContact O-N 3.46Å; S145-N147 PolarHBondContact OG-O 3.28Å; N147-D149 VanDerWaalsContact OD1-CB 3.25Å; N147-D149 WeakPolarHBondContact OD1-CB 3.37Å; N147-D149 PolarHBondContact OD1-N 2.65Å; N147-D149 PolarHBondContact OD1-OD2 2.6Å; N147-N162 PolarHBondContact N-ND2 3.3Å; N147-N162 PolarHBondContact O-ND2 3.07Å; N147-N162 WeakPolarHBondContact OD1-CB 3.33Å
148P96.2Very high93.9Very high32 Ų3268.9 Ų68.921%0.20837%0.37CS..  trans-88.59.5-179.735.3-34.7000114.7V150 F179 K182P148-V150 PolarHBondContact O-N 2.97Å; P148-V150 VanDerWaalsContact O-N 3.09Å; P148-F179 HydrophobicContact CB-CD1 3.86Å; P148-F179 HydrophobicContact CB-CD2 4.24Å; P148-F179 HydrophobicContact CB-CE1 3.86Å; P148-F179 HydrophobicContact CB-CE2 4.24Å; P148-F179 HydrophobicContact CB-CG 4.05Å; P148-F179 HydrophobicContact CB-CZ 4.05Å; P148-K182 WeakPolarHBondContact CD-O 3.37Å
149D94.5Very high93.7Very high46 Ų4663.5 Ų63.525%0.24635%0.353CS..  trans-60.2115.7-169.6-58.6-17.9000111.4N44 N147 G161 N162 G163N44-D149 WeakPolarHBondContact CB-OD2 3.29Å; N44-D149 PolarHBondContact ND2-OD1 2.74Å; N44-D149 VanDerWaalsContact ND2-OD1 3.08Å; N147-D149 VanDerWaalsContact OD1-CB 3.25Å; N147-D149 WeakPolarHBondContact OD1-CB 3.37Å; N147-D149 PolarHBondContact OD1-N 2.65Å; N147-D149 PolarHBondContact OD1-OD2 2.6Å; D149-G161 CarbonylContact O-C 3.57Å; D149-G161 VanDerWaalsContact O-CA 3.28Å; D149-G161 WeakPolarHBondContact O-CA 3.45Å; D149-N162 PolarHBondContact O-N 3.3Å; D149-N162 VanDerWaalsContact O-N 3.11Å; D149-G163 WeakPolarHBondContact O-CA 3.31Å; D149-G163 PolarHBondContact O-N 3.23Å
150V92.7Very high93.5Very high106 Ų10663.7 Ų63.764%0.64236%0.359SS*.SBendtrans-73.4-33.5-175.6178.40000111.7P148 G161 A164P148-V150 PolarHBondContact O-N 2.97Å; P148-V150 VanDerWaalsContact O-N 3.09Å; V150-G161 PolarHBondContact O-N 3.38Å; V150-A164 WeakPolarHBondContact O-CB 3.45Å
151S91.6Very high93.4Very high56 Ų5660.7 Ų60.739%0.39233%0.328SS..EExtended strand (participates in β ladder)trans-142.6150.5-178.557.80000111.9L159S151-L159 CarbonylContact C-O 3.5Å; S151-L159 WeakPolarHBondContact CA-O 3.39Å
152I88.8Confident93.3Very high27 Ų2760.3 Ų60.314%0.13833%0.325CS..EExtended strand (participates in β ladder)trans-118.1134.8174.759.4-178.6000110.4L121 K154 L159L121-I152 HydrophobicContact CD1-CD1 4.22Å; L121-I152 HydrophobicContact CD2-CD1 3.5Å; L121-I152 HydrophobicContact CD2-CG2 4.37Å; L121-I152 HydrophobicContact CG-CD1 4.49Å; I152-K154 HydrophobicContact CG1-CG 4.42Å; I152-K154 PolarHBondContact O-N 3.16Å; I152-L159 HydrophobicContact CG1-CB 4.02Å; I152-L159 PolarHBondContact N-O 3.44Å; I152-L159 PolarHBondContact O-N 3.43Å
153P85.9Confident93.2Very high109 Ų10957.7 Ų57.771%0.70831%0.311SS*.EExtended strand (participates in β ladder)trans-74.2126.4174.629.7-32.6000110.7L158P153-L158 HydrophobicContact CB-CD2 4.36Å
154K85Confident93.2Very high91 Ų9158.7 Ų58.740%0.39632%0.321SS..EExtended strand (participates in β ladder)trans-131.8167.7170.7-64.8-117.1-179.5-173.30109.4E123 I152 R156 G157 L159E123-K154 WeakPolarHBondContact OE1-CE 3.43Å; E123-K154 IonicContact OE1-NZ 3.52Å; E123-K154 PolarHBondContact OE1-NZ 2.95Å; E123-K154 IonicContact OE2-NZ 2.65Å; I152-K154 HydrophobicContact CG1-CG 4.42Å; I152-K154 PolarHBondContact O-N 3.16Å; K154-R156 PolarHBondContact O-N 3.47Å; K154-R156 VanDerWaalsContact O-N 3.14Å; K154-G157 PolarHBondContact N-O 3.15Å; K154-G157 WeakPolarHBondContact O-CA 3.42Å; K154-G157 PolarHBondContact O-N 3.39Å; K154-L159 HydrophobicContact CB-CD1 4.04Å; K154-L159 HydrophobicContact CB-CG 4.22Å; K154-L159 HydrophobicContact CD-CD1 4.15Å; K154-L159 HydrophobicContact CG-CD1 3.82Å; K154-L159 HydrophobicContact CG-CG 4.17Å
155E82.6Confident93.1Very high209 Ų20959.5 Ų59.598%0.97733%0.325SS*.THydrogen-bonded Turntrans-53.1-37177.6-171.3-172.9172.500112.9G157E155-G157 PolarHBondContact O-N 3.18Å
156R87.5Confident93.1Very high213 Ų21359.6 Ų59.680%0.80433%0.325SS*.THydrogen-bonded Turntrans-79.64.9178.2-158.5177.364.6-164-3.5113.9K154K154-R156 PolarHBondContact O-N 3.47Å; K154-R156 VanDerWaalsContact O-N 3.14Å
157G90.4Very high93.1Very high34 Ų3462.3 Ų62.335%0.35134%0.344SS..EExtended strand (participates in β ladder)trans106.9-164.6-176.800000113.7K154 E155 L159K154-G157 PolarHBondContact N-O 3.15Å; K154-G157 WeakPolarHBondContact O-CA 3.42Å; K154-G157 PolarHBondContact O-N 3.39Å; E155-G157 PolarHBondContact O-N 3.18Å; G157-L159 PolarHBondContact O-N 2.91Å
158L91.6Very high93.1Very high132 Ų13265.2 Ų65.269%0.69136%0.362SS*.EExtended strand (participates in β ladder)trans-74.8115.1-179.9-64.8174.9000110.4P153P153-L158 HydrophobicContact CB-CD2 4.36Å
159L94.1Very high93.2Very high44 Ų4463.7 Ų63.723%0.2335%0.352CS..EExtended strand (participates in β ladder)trans-101.8160.3175.8-58.1-171000110.6S151 I152 K154 G157 G161S151-L159 CarbonylContact C-O 3.5Å; S151-L159 WeakPolarHBondContact CA-O 3.39Å; I152-L159 HydrophobicContact CG1-CB 4.02Å; I152-L159 PolarHBondContact N-O 3.44Å; I152-L159 PolarHBondContact O-N 3.43Å; K154-L159 HydrophobicContact CB-CD1 4.04Å; K154-L159 HydrophobicContact CB-CG 4.22Å; K154-L159 HydrophobicContact CD-CD1 4.15Å; K154-L159 HydrophobicContact CG-CD1 3.82Å; K154-L159 HydrophobicContact CG-CG 4.17Å; G157-L159 PolarHBondContact O-N 2.91Å; L159-G161 PolarHBondContact O-N 2.81Å
160P95.8Very high93.4Very high86 Ų8662.6 Ų62.656%0.55835%0.348SS*.EExtended strand (participates in β ladder)trans-54.9127.8175.5-2635.4000111.9A164P160-A164 HydrophobicContact CB-CB 4.14Å
161G95.4Very high93.7Very high0 Ų063.1 Ų63.10%035%0.352CS..  trans-88.7-177.1173.500000112.3D149 V150 L159 G163 A164 I165D149-G161 CarbonylContact O-C 3.57Å; D149-G161 VanDerWaalsContact O-CA 3.28Å; D149-G161 WeakPolarHBondContact O-CA 3.45Å; V150-G161 PolarHBondContact O-N 3.38Å; L159-G161 PolarHBondContact O-N 2.81Å; G161-G163 VanDerWaalsContact C-N 3.33Å; G161-G163 PolarHBondContact O-N 3.34Å; G161-A164 PolarHBondContact O-N 2.83Å; G161-I165 PolarHBondContact O-N 3.39Å
162N97.3Very high94Very high1 Ų163 Ų631%0.00535%0.351CS..Hα-helixtrans-61.8-39.6-178.3-178.245.8000112.7I119 G120 L121 S145 T146 N147 D149 A164 I165 T166I119-N162 WeakPolarHBondContact CG2-OD1 3.37Å; I119-N162 PolarHBondContact O-ND2 2.93Å; I119-N162 PolarHBondContact O-OD1 3.37Å; G120-N162 WeakPolarHBondContact CA-OD1 3.47Å; G120-N162 PolarHBondContact O-OD1 3.08Å; G120-N162 VanDerWaalsContact O-OD1 3.06Å; L121-N162 HydrophobicContact CB-CB 4.29Å; L121-N162 PolarHBondContact N-OD1 3.32Å; S145-N162 PolarHBondContact OG-ND2 3.14Å; T146-N162 PolarHBondContact OG1-ND2 3.18Å; N147-N162 PolarHBondContact N-ND2 3.3Å; N147-N162 PolarHBondContact O-ND2 3.07Å; N147-N162 WeakPolarHBondContact OD1-CB 3.33Å; D149-N162 PolarHBondContact O-N 3.3Å; D149-N162 VanDerWaalsContact O-N 3.11Å; N162-A164 VanDerWaalsContact C-N 3.28Å; N162-A164 PolarHBondContact O-N 3.4Å; N162-I165 PolarHBondContact O-N 3.18Å; N162-T166 VanDerWaalsContact O-CB 3.26Å; N162-T166 WeakPolarHBondContact O-CB 3.39Å; N162-T166 PolarHBondContact O-N 3.28Å; N162-T166 PolarHBondContact O-OG1 3.15Å
163G96.7Very high94.5Very high11 Ų1163 Ų6311%0.11335%0.352CS..Hα-helixtrans-59.7-38.417700000112.4D149 G161 T166 S167D149-G163 WeakPolarHBondContact O-CA 3.31Å; D149-G163 PolarHBondContact O-N 3.23Å; G161-G163 VanDerWaalsContact C-N 3.33Å; G161-G163 PolarHBondContact O-N 3.34Å; G163-T166 PolarHBondContact O-N 3.44Å; G163-S167 PolarHBondContact O-N 2.91Å
164A97.1Very high95Very high30 Ų3061.1 Ų61.125%0.24835%0.352CS..Hα-helixtrans-67.2-44175.700000112V150 P160 G161 N162 S167V150-A164 WeakPolarHBondContact O-CB 3.45Å; P160-A164 HydrophobicContact CB-CB 4.14Å; G161-A164 PolarHBondContact O-N 2.83Å; N162-A164 VanDerWaalsContact C-N 3.28Å; N162-A164 PolarHBondContact O-N 3.4Å; A164-S167 WeakPolarHBondContact O-CB 3.4Å; A164-S167 PolarHBondContact O-N 3.22Å; A164-S167 PolarHBondContact O-OG 3.48Å
165I97.2Very high95.7Very high17 Ų1759.9 Ų59.99%0.08735%0.352CS..Hα-helixtrans-62.3-46174.8-62.4176.5000110.4I119 L121 V125 L130 G161 N162 S167 V168I119-I165 HydrophobicContact CG2-CG2 4.11Å; L121-I165 HydrophobicContact CD1-CD1 3.82Å; V125-I165 HydrophobicContact CG1-CD1 4.27Å; V125-I165 HydrophobicContact CG2-CG2 4.3Å; L130-I165 HydrophobicContact CD2-CG2 4.16Å; G161-I165 PolarHBondContact O-N 3.39Å; N162-I165 PolarHBondContact O-N 3.18Å; I165-S167 PolarHBondContact O-N 3.43Å; I165-V168 WeakPolarHBondContact O-CB 2.93Å; I165-V168 PolarHBondContact O-N 3.08Å; I165-V168 VanDerWaalsContact O-N 3.1Å
166T98.4Very high96.4Very high1 Ų154.6 Ų54.61%0.00634%0.339CS..Hα-helixtrans-57.4-37.8178.2-60.10000111.7I119 F143 S145 N162 G163 V168 V169 S170 P177 F179I119-T166 WeakPolarHBondContact CG2-OG1 3.16Å; F143-T166 HydrophobicContact CE1-CG2 4.46Å; F143-T166 HydrophobicContact CE2-CG2 4.19Å; F143-T166 HydrophobicContact CZ-CG2 3.63Å; S145-T166 PolarHBondContact OG-OG1 3.42Å; N162-T166 VanDerWaalsContact O-CB 3.26Å; N162-T166 WeakPolarHBondContact O-CB 3.39Å; N162-T166 PolarHBondContact O-N 3.28Å; N162-T166 PolarHBondContact O-OG1 3.15Å; G163-T166 PolarHBondContact O-N 3.44Å; T166-V168 PolarHBondContact O-N 3.1Å; T166-V169 PolarHBondContact O-N 3.38Å; T166-S170 PolarHBondContact O-N 3Å; T166-P177 HydrophobicContact CG2-CB 3.99Å; T166-P177 HydrophobicContact CG2-CG 3.6Å; T166-F179 HydrophobicContact CG2-CE1 4.22Å; T166-F179 HydrophobicContact CG2-CZ 4.4Å
167S98.1Very high96.9Very high57 Ų5745.3 Ų45.340%0.39931%0.305SS..Hα-helixtrans-60.9-29.117978.50000113.5G163 A164 I165 V169 S170 V171G163-S167 PolarHBondContact O-N 2.91Å; A164-S167 WeakPolarHBondContact O-CB 3.4Å; A164-S167 PolarHBondContact O-N 3.22Å; A164-S167 PolarHBondContact O-OG 3.48Å; I165-S167 PolarHBondContact O-N 3.43Å; S167-V169 VanDerWaalsContact C-N 3.34Å; S167-V169 PolarHBondContact O-N 3.32Å; S167-S170 PolarHBondContact O-N 2.82Å; S167-V171 VanDerWaalsContact O-CB 3.26Å; S167-V171 WeakPolarHBondContact O-CB 3.43Å; S167-V171 WeakPolarHBondContact O-CG2 3.48Å; S167-V171 PolarHBondContact O-N 3.28Å
168V98.3Very high97.3Very high67 Ų6746.9 Ų46.941%0.40630%0.304SS..Hα-helixtrans-63-44.8178.8-179.30000110.4L130 I165 T166 S172L130-V168 HydrophobicContact CD1-CG1 4.12Å; L130-V168 HydrophobicContact CD2-CB 4.27Å; L130-V168 HydrophobicContact CD2-CG1 4.39Å; I165-V168 WeakPolarHBondContact O-CB 2.93Å; I165-V168 PolarHBondContact O-N 3.08Å; I165-V168 VanDerWaalsContact O-N 3.1Å; T166-V168 PolarHBondContact O-N 3.1Å; V168-S172 VanDerWaalsContact O-CB 3.22Å; V168-S172 WeakPolarHBondContact O-CB 3.23Å; V168-S172 PolarHBondContact O-N 2.98Å; V168-S172 VanDerWaalsContact O-N 3.16Å; V168-S172 PolarHBondContact O-OG 3.01Å
169V98.7Very high97.6Very high0 Ų043 Ų430%028%0.281CS..Hα-helixtrans-71-46.4176.7178.50000110I119 L130 A133 V137 F143 T166 S167 V171 S172 T173I119-V169 HydrophobicContact CD1-CB 3.94Å; I119-V169 HydrophobicContact CD1-CG1 4.43Å; I119-V169 HydrophobicContact CD1-CG2 3.65Å; L130-V169 HydrophobicContact CD2-CG2 3.91Å; A133-V169 HydrophobicContact CB-CG1 4.35Å; A133-V169 HydrophobicContact CB-CG2 3.78Å; V137-V169 HydrophobicContact CG2-CG1 4.16Å; F143-V169 HydrophobicContact CE1-CB 4.49Å; F143-V169 HydrophobicContact CE1-CG1 4.14Å; F143-V169 HydrophobicContact CE2-CG1 4.21Å; F143-V169 HydrophobicContact CZ-CB 3.93Å; F143-V169 HydrophobicContact CZ-CG1 3.82Å; T166-V169 PolarHBondContact O-N 3.38Å; S167-V169 VanDerWaalsContact C-N 3.34Å; S167-V169 PolarHBondContact O-N 3.32Å; V169-V171 PolarHBondContact O-N 3.01Å; V169-S172 PolarHBondContact O-N 2.92Å; V169-S172 VanDerWaalsContact O-N 3.15Å; V169-T173 HydrophobicContact CG1-CG2 4.09Å; V169-T173 WeakPolarHBondContact O-CB 3.35Å; V169-T173 VanDerWaalsContact O-CG2 3.26Å; V169-T173 WeakPolarHBondContact O-CG2 3.29Å; V169-T173 PolarHBondContact O-N 3.19Å; V169-T173 PolarHBondContact O-OG1 3.1Å
170S98.6Very high97.8Very high23 Ų2340.9 Ų40.916%0.16127%0.27CS..Hα-helixtrans-58.4-45.7-179.6-173.20000113.2T166 S167 T173 G174 V175T166-S170 PolarHBondContact O-N 3Å; S167-S170 PolarHBondContact O-N 2.82Å; S170-T173 PolarHBondContact O-N 3.07Å; S170-T173 PolarHBondContact O-OG1 2.73Å; S170-G174 WeakPolarHBondContact O-CA 3.2Å; S170-G174 PolarHBondContact O-N 2.92Å; S170-V175 VanDerWaalsContact CA-O 3.29Å; S170-V175 WeakPolarHBondContact CA-O 3.32Å; S170-V175 WeakPolarHBondContact CB-O 3.4Å; S170-V175 PolarHBondContact O-N 3.5Å; S170-V175 PolarHBondContact OG-O 2.99Å
171V98.4Very high97.9Very high118 Ų11836.8 Ų36.872%0.71524%0.244SC*.Hα-helixtrans-66.7-39.4176.9171.20000111.1S167 V169 T173S167-V171 VanDerWaalsContact O-CB 3.26Å; S167-V171 WeakPolarHBondContact O-CB 3.43Å; S167-V171 WeakPolarHBondContact O-CG2 3.48Å; S167-V171 PolarHBondContact O-N 3.28Å; V169-V171 PolarHBondContact O-N 3.01Å; V171-T173 VanDerWaalsContact C-N 3.32Å; V171-T173 PolarHBondContact O-N 3.04Å
172S98.1Very high98Very high53 Ų5337 Ų3737%0.37125%0.245SC..Hα-helixtrans-70.8-26.9-178.8-61.80000113.3R138 V168 V169R138-S172 PolarHBondContact NH2-O 2.83Å; V168-S172 VanDerWaalsContact O-CB 3.22Å; V168-S172 WeakPolarHBondContact O-CB 3.23Å; V168-S172 PolarHBondContact O-N 2.98Å; V168-S172 VanDerWaalsContact O-N 3.16Å; V168-S172 PolarHBondContact O-OG 3.01Å; V169-S172 PolarHBondContact O-N 2.92Å; V169-S172 VanDerWaalsContact O-N 3.15Å
173T98.4Very high98Very high28 Ų2838.2 Ų38.217%0.17225%0.253CS..Hα-helixtrans-100.2-22.8-179.162.10000113T134 V137 R138 V169 S170 V171 V175T134-T173 HydrophobicContact CG2-CG2 3.78Å; V137-T173 HydrophobicContact CB-CG2 3.9Å; V137-T173 HydrophobicContact CG1-CG2 3.81Å; R138-T173 HydrophobicContact CG-CG2 4.28Å; V169-T173 HydrophobicContact CG1-CG2 4.09Å; V169-T173 WeakPolarHBondContact O-CB 3.35Å; V169-T173 VanDerWaalsContact O-CG2 3.26Å; V169-T173 WeakPolarHBondContact O-CG2 3.29Å; V169-T173 PolarHBondContact O-N 3.19Å; V169-T173 PolarHBondContact O-OG1 3.1Å; S170-T173 PolarHBondContact O-N 3.07Å; S170-T173 PolarHBondContact O-OG1 2.73Å; V171-T173 VanDerWaalsContact C-N 3.32Å; V171-T173 PolarHBondContact O-N 3.04Å; T173-V175 PolarHBondContact O-N 2.78Å; T173-V175 WeakPolarHBondContact OG1-CB 3.33Å; T173-V175 PolarHBondContact OG1-N 2.87Å; T173-V175 VanDerWaalsContact OG1-N 3.13Å
174G98.2Very high98Very high69 Ų6941 Ų4171%0.71126%0.263SS*.THydrogen-bonded Turntrans71.711.6-16800000113.3S170S170-G174 WeakPolarHBondContact O-CA 3.2Å; S170-G174 PolarHBondContact O-N 2.92Å
175V98.6Very high97.9Very high64 Ų6441.7 Ų41.739%0.38827%0.265SS..  trans-107.6126.8-177.7-179.20000109.1V137 F143 S170 T173V137-V175 HydrophobicContact CG1-CB 3.92Å; V137-V175 HydrophobicContact CG1-CG1 4.15Å; V137-V175 HydrophobicContact CG1-CG2 4.01Å; F143-V175 HydrophobicContact CB-CG1 4.42Å; F143-V175 HydrophobicContact CD1-CG1 4.29Å; S170-V175 VanDerWaalsContact CA-O 3.29Å; S170-V175 WeakPolarHBondContact CA-O 3.32Å; S170-V175 WeakPolarHBondContact CB-O 3.4Å; S170-V175 PolarHBondContact O-N 3.5Å; S170-V175 PolarHBondContact OG-O 2.99Å; T173-V175 PolarHBondContact O-N 2.78Å; T173-V175 WeakPolarHBondContact OG1-CB 3.33Å; T173-V175 PolarHBondContact OG1-N 2.87Å; T173-V175 VanDerWaalsContact OG1-N 3.13Å
176S98.1Very high97.9Very high99 Ų9942.4 Ų42.469%0.69227%0.269SS*.PPolyproline II helixtrans-77.9135.9172.3-61.90000110.2
177P98.3Very high97.9Very high17 Ų1742.4 Ų42.411%0.1127%0.268CS..PPolyproline II helixtrans-70.1156.1172.434-38.8000110.4F143 T166 F179F143-P177 HydrophobicContact CD1-CB 3.79Å; F143-P177 HydrophobicContact CD2-CB 4.13Å; F143-P177 HydrophobicContact CE1-CB 3.72Å; F143-P177 HydrophobicContact CE1-CG 4.15Å; F143-P177 HydrophobicContact CE2-CB 4.04Å; F143-P177 HydrophobicContact CG-CB 4Å; F143-P177 HydrophobicContact CZ-CB 3.85Å; F143-P177 HydrophobicContact CZ-CG 4.36Å; F143-P177 CarbonylContact O-C 3.47Å; F143-P177 WeakPolarHBondContact O-CA 3.25Å; T166-P177 HydrophobicContact CG2-CB 3.99Å; T166-P177 HydrophobicContact CG2-CG 3.6Å; P177-F179 HydrophobicContact CG-CD1 4.44Å; P177-F179 HydrophobicContact CG-CD2 4.25Å; P177-F179 HydrophobicContact CG-CE1 3.86Å; P177-F179 HydrophobicContact CG-CE2 3.65Å; P177-F179 HydrophobicContact CG-CZ 3.43Å; P177-F179 VanDerWaalsContact CG-CZ 3.43Å
178Q98.4Very high97.9Very high67 Ų6739.7 Ų39.731%0.31325%0.25SC..EExtended strand (participates in β ladder)trans-82.2118.9157.7-175176.421.200108.8Y79 F143 I144 S145 I180 I186Y79-Q178 PolarHBondContact OH-NE2 2.75Å; Y79-Q178 PolarHBondContact OH-OE1 3.01Å; F143-Q178 PolarHBondContact O-N 3.35Å; I144-Q178 WeakPolarHBondContact CA-O 3.5Å; I144-Q178 HydrophobicContact CG1-CB 4.37Å; S145-Q178 PolarHBondContact N-O 2.74Å; Q178-I180 HydrophobicContact CG-CD1 4.49Å; Q178-I186 HydrophobicContact CG-CD1 4.18Å
179F98.2Very high97.8Very high51 Ų5139.4 Ų39.422%0.22425%0.248CC..EExtended strand (participates in β ladder)trans-84.4143.7173.5-67.1-71.4000110.6S145 P148 T166 P177 E184S145-F179 WeakPolarHBondContact O-CA 3.35Å; P148-F179 HydrophobicContact CB-CD1 3.86Å; P148-F179 HydrophobicContact CB-CD2 4.24Å; P148-F179 HydrophobicContact CB-CE1 3.86Å; P148-F179 HydrophobicContact CB-CE2 4.24Å; P148-F179 HydrophobicContact CB-CG 4.05Å; P148-F179 HydrophobicContact CB-CZ 4.05Å; T166-F179 HydrophobicContact CG2-CE1 4.22Å; T166-F179 HydrophobicContact CG2-CZ 4.4Å; P177-F179 HydrophobicContact CG-CD1 4.44Å; P177-F179 HydrophobicContact CG-CD2 4.25Å; P177-F179 HydrophobicContact CG-CE1 3.86Å; P177-F179 HydrophobicContact CG-CE2 3.65Å; P177-F179 HydrophobicContact CG-CZ 3.43Å; P177-F179 VanDerWaalsContact CG-CZ 3.43Å; F179-E184 HydrophobicContact CB-CG 3.65Å
180I98.2Very high97.7Very high0 Ų039.9 Ų39.90%025%0.25CC..  trans-107.5-46.1-177.9-56.1-64000112.1A75 T76 Y79 I144 S145 Q178 I186 I187A75-I180 HydrophobicContact CB-CG2 3.8Å; T76-I180 HydrophobicContact CG2-CG1 4.31Å; T76-I180 WeakPolarHBondContact OG1-CB 3.24Å; T76-I180 WeakPolarHBondContact OG1-CG1 3.48Å; Y79-I180 HydrophobicContact CD1-CD1 3.8Å; Y79-I180 HydrophobicContact CE1-CD1 4.25Å; Y79-I180 HydrophobicContact CG-CD1 4.12Å; I144-I180 HydrophobicContact CG2-CD1 4.03Å; I144-I180 HydrophobicContact CG2-CG1 3.61Å; S145-I180 PolarHBondContact O-N 3.29Å; S145-I180 VanDerWaalsContact O-N 3.16Å; Q178-I180 HydrophobicContact CG-CD1 4.49Å; I180-I186 HydrophobicContact CD1-CD1 3.72Å; I180-I186 HydrophobicContact CD1-CG2 4.1Å; I180-I186 HydrophobicContact CG2-CB 4.34Å; I180-I186 HydrophobicContact CG2-CG2 3.91Å; I180-I187 WeakPolarHBondContact O-CB 3.33Å; I180-I187 PolarHBondContact O-N 3.3Å; I180-I187 VanDerWaalsContact O-N 3.16Å
181G97.3Very high97.6Very high0 Ų038.8 Ų38.80%024%0.242CC..SBendtrans-69.3174.5-179.400000113.8N44 T146 E184N44-G181 VanDerWaalsContact OD1-CA 3.31Å; N44-G181 WeakPolarHBondContact OD1-CA 3.15Å; T146-G181 WeakPolarHBondContact O-CA 3.21Å; T146-G181 PolarHBondContact O-N 2.93Å; G181-E184 WeakPolarHBondContact O-CB 3.46Å; G181-E184 WeakPolarHBondContact O-CG 3.36Å; G181-E184 PolarHBondContact O-N 3.38Å
182K97.3Very high97.6Very high3 Ų334.2 Ų34.21%0.01321%0.213CC..THydrogen-bonded Turntrans-54.3139.8179.8-55-176.3-68.8-173.90110.8D10 V42 N44 P148 E184 I187 M204 D212 S215D10-K182 VanDerWaalsContact CG-NZ 3.31Å; D10-K182 IonicContact OD1-NZ 2.61Å; D10-K182 PolarHBondContact OD1-NZ 3.25Å; V42-K182 HydrophobicContact CG1-CD 4.25Å; V42-K182 HydrophobicContact CG1-CG 4.49Å; V42-K182 WeakPolarHBondContact O-CE 3.38Å; V42-K182 PolarHBondContact O-NZ 3.37Å; N44-K182 PolarHBondContact ND2-O 2.86Å; N44-K182 PolarHBondContact OD1-N 3.44Å; P148-K182 WeakPolarHBondContact CD-O 3.37Å; K182-E184 VanDerWaalsContact C-N 3.34Å; K182-I187 HydrophobicContact CG-CG2 3.96Å; K182-M204 HydrophobicContact CD-CE 3.99Å; K182-D212 VanDerWaalsContact CE-OD1 3.23Å; K182-D212 WeakPolarHBondContact CE-OD1 3.41Å; K182-D212 IonicContact NZ-OD1 2.82Å; K182-D212 PolarHBondContact NZ-OD1 3.2Å; K182-S215 WeakPolarHBondContact CA-OG 3.39Å; K182-S215 WeakPolarHBondContact CB-OG 3.49Å; K182-S215 VanDerWaalsContact CG-OG 3.27Å; K182-S215 WeakPolarHBondContact CG-OG 3.35Å
183P96.8Very high97.5Very high27 Ų2736.6 Ų36.618%0.17522%0.219CC..THydrogen-bonded Turncis-84.811.77.434.6-36.3000115.2D210 M214 S215 N218P183-D210 WeakPolarHBondContact CB-O 3.36Å; P183-D210 WeakPolarHBondContact CG-O 3.38Å; P183-M214 HydrophobicContact CB-CB 3.86Å; P183-S215 WeakPolarHBondContact CA-OG 3.27Å; P183-N218 PolarHBondContact O-ND2 3.07Å
184E96.7Very high97.5Very high69 Ų6940.2 Ų40.232%0.32224%0.236SC..SBendtrans-69.8146.9-172.6-60.2-62155.300112.6F179 G181 K182 I186F179-E184 HydrophobicContact CB-CG 3.65Å; G181-E184 WeakPolarHBondContact O-CB 3.46Å; G181-E184 WeakPolarHBondContact O-CG 3.36Å; G181-E184 PolarHBondContact O-N 3.38Å; K182-E184 VanDerWaalsContact C-N 3.34Å; E184-I186 PolarHBondContact O-N 2.77Å
185P96.1Very high97.4Very high46 Ų4638.5 Ų38.530%0.29921%0.211SC..Hα-helixtrans-61.7-25.9179.3-27.136.1000114.9I187 M188 V189 N218 V219P185-I187 PolarHBondContact O-N 3.16Å; P185-M188 WeakPolarHBondContact O-CB 3.33Å; P185-M188 PolarHBondContact O-N 3.44Å; P185-M188 VanDerWaalsContact O-N 3.16Å; P185-V189 WeakPolarHBondContact O-CG2 3.34Å; P185-V189 PolarHBondContact O-N 2.71Å; P185-N218 HydrophobicContact CG-CB 4.33Å; P185-V219 HydrophobicContact CB-CG2 3.97Å
186I97.2Very high97.4Very high32 Ų3238.7 Ų38.716%0.16423%0.225CC..Hα-helixtrans-61.6-51.6-167.3-61172.9000111.3Y79 Q178 I180 E184 M188 V189 K190Y79-I186 HydrophobicContact CD2-CG2 3.91Å; Y79-I186 HydrophobicContact CE2-CD1 4.38Å; Y79-I186 HydrophobicContact CG-CG2 4.28Å; Q178-I186 HydrophobicContact CG-CD1 4.18Å; I180-I186 HydrophobicContact CD1-CD1 3.72Å; I180-I186 HydrophobicContact CD1-CG2 4.1Å; I180-I186 HydrophobicContact CG2-CB 4.34Å; I180-I186 HydrophobicContact CG2-CG2 3.91Å; E184-I186 PolarHBondContact O-N 2.77Å; I186-M188 PolarHBondContact O-N 3.01Å; I186-V189 PolarHBondContact O-N 2.82Å; I186-K190 WeakPolarHBondContact O-CG 3.31Å; I186-K190 PolarHBondContact O-N 3.13Å
187I97.9Very high97.3Very high0 Ų036 Ų360%020%0.202CC..Hα-helixtrans-60.6-34.6178.4-168.1169000112.5V42 V70 A75 I180 K182 P185 K190 A191V42-I187 HydrophobicContact CG1-CD1 3.65Å; V42-I187 HydrophobicContact CG1-CG1 3.79Å; V70-I187 HydrophobicContact CG1-CG1 4.05Å; A75-I187 HydrophobicContact CB-CB 4.23Å; A75-I187 HydrophobicContact CB-CD1 4.44Å; A75-I187 HydrophobicContact CB-CG1 3.88Å; I180-I187 WeakPolarHBondContact O-CB 3.33Å; I180-I187 PolarHBondContact O-N 3.3Å; I180-I187 VanDerWaalsContact O-N 3.16Å; K182-I187 HydrophobicContact CG-CG2 3.96Å; P185-I187 PolarHBondContact O-N 3.16Å; I187-K190 PolarHBondContact O-N 2.81Å; I187-A191 PolarHBondContact O-N 2.97Å
188M97.7Very high97.3Very high1 Ų139.2 Ų39.21%0.00522%0.219CC..Hα-helixtrans-71.9-40.3179.8-59.3-57.6-79.600111.3L8 V42 P185 I186 K190 A191 L192 M204 V219 M221L8-M188 HydrophobicContact CD1-CE 3.7Å; L8-M188 HydrophobicContact CD1-SD 4.24Å; V42-M188 HydrophobicContact CG1-SD 4.36Å; P185-M188 WeakPolarHBondContact O-CB 3.33Å; P185-M188 PolarHBondContact O-N 3.44Å; P185-M188 VanDerWaalsContact O-N 3.16Å; I186-M188 PolarHBondContact O-N 3.01Å; M188-K190 VanDerWaalsContact C-N 3.33Å; M188-A191 PolarHBondContact O-N 3.16Å; M188-L192 WeakPolarHBondContact O-CG 3.48Å; M188-L192 PolarHBondContact O-N 3.48Å; M188-M204 HydrophobicContact CE-CB 4.01Å; M188-M204 HydrophobicContact CE-CG 3.97Å; M188-M204 HydrophobicContact CE-SD 3.71Å; M188-M204 HydrophobicContact SD-SD 4.41Å; M188-V219 HydrophobicContact CB-CG2 3.73Å; M188-V219 HydrophobicContact CG-CG2 4.31Å; M188-M221 HydrophobicContact CE-CE 3.27Å
189V96.6Very high97.2Very high61 Ų6140.1 Ų40.137%0.3722%0.222SC..Hα-helixtrans-61.3-43.7173.2170.70000110.3P185 I186 A191 L192 E193P185-V189 WeakPolarHBondContact O-CG2 3.34Å; P185-V189 PolarHBondContact O-N 2.71Å; I186-V189 PolarHBondContact O-N 2.82Å; V189-A191 PolarHBondContact O-N 3.25Å; V189-L192 PolarHBondContact O-N 3.36Å; V189-E193 WeakPolarHBondContact O-CG 3.22Å; V189-E193 PolarHBondContact O-N 3.06Å
190K96.4Very high97.1Very high10 Ų1040.5 Ų40.54%0.04323%0.231CC..Hα-helixtrans-61.2-42.4175.1-67.6-46.9-170.2168.10113.2A75 D78 E82 I186 I187 M188 L192 E193 I194A75-K190 HydrophobicContact CB-CG 4.41Å; D78-K190 VanDerWaalsContact OD2-CD 3.23Å; D78-K190 WeakPolarHBondContact OD2-CD 3.27Å; D78-K190 WeakPolarHBondContact OD2-CE 3.32Å; D78-K190 IonicContact OD2-NZ 3.01Å; D78-K190 PolarHBondContact OD2-NZ 2.89Å; E82-K190 IonicContact OE1-NZ 2.79Å; E82-K190 PolarHBondContact OE1-NZ 3.14Å; E82-K190 IonicContact OE2-NZ 2.59Å; E82-K190 PolarHBondContact OE2-NZ 2.88Å; I186-K190 WeakPolarHBondContact O-CG 3.31Å; I186-K190 PolarHBondContact O-N 3.13Å; I187-K190 PolarHBondContact O-N 2.81Å; M188-K190 VanDerWaalsContact C-N 3.33Å; K190-L192 VanDerWaalsContact C-N 3.34Å; K190-L192 PolarHBondContact O-N 3.03Å; K190-E193 WeakPolarHBondContact CD-OE2 3.46Å; K190-E193 IonicContact NZ-OE2 3.16Å; K190-E193 PolarHBondContact NZ-OE2 3.28Å; K190-E193 PolarHBondContact O-N 3.18Å; K190-I194 WeakPolarHBondContact O-CG1 3.36Å; K190-I194 PolarHBondContact O-N 3.07Å; K190-I194 VanDerWaalsContact O-N 3.1Å
191A97.7Very high97.1Very high0 Ų043 Ų430%024%0.243CC..Hα-helixtrans-64-38.5175.400000112.4L8 L40 V42 V70 I187 M188 V189 I194 L195L8-A191 HydrophobicContact CD1-CB 3.71Å; L8-A191 HydrophobicContact CD2-CB 3.67Å; L8-A191 HydrophobicContact CG-CB 4.36Å; L40-A191 HydrophobicContact CD1-CB 4.19Å; L40-A191 WeakPolarHBondContact CD1-O 3.35Å; V42-A191 HydrophobicContact CG2-CB 4.09Å; V70-A191 HydrophobicContact CG2-CB 4.45Å; I187-A191 PolarHBondContact O-N 2.97Å; M188-A191 PolarHBondContact O-N 3.16Å; V189-A191 PolarHBondContact O-N 3.25Å; A191-I194 PolarHBondContact O-N 2.89Å; A191-L195 WeakPolarHBondContact O-CG 3.22Å; A191-L195 PolarHBondContact O-N 3.48Å; A191-L195 VanDerWaalsContact O-N 3.13Å
192L97.7Very high97.1Very high21 Ų2143 Ų4311%0.1124%0.243CC..Hα-helixtrans-66.9-37.9175-70.6169.1000112.6M188 V189 K190 L195 G196 K199 V202 V219M188-L192 WeakPolarHBondContact O-CG 3.48Å; M188-L192 PolarHBondContact O-N 3.48Å; V189-L192 PolarHBondContact O-N 3.36Å; K190-L192 VanDerWaalsContact C-N 3.34Å; K190-L192 PolarHBondContact O-N 3.03Å; L192-L195 PolarHBondContact O-N 2.89Å; L192-G196 PolarHBondContact O-N 3.17Å; L192-K199 HydrophobicContact CD1-CB 3.9Å; L192-V202 HydrophobicContact CD2-CB 3.98Å; L192-V202 HydrophobicContact CD2-CG1 4.32Å; L192-V202 HydrophobicContact CD2-CG2 3.73Å; L192-V219 HydrophobicContact CD1-CG1 4.07Å
193E96.5Very high97.2Very high104 Ų10442.9 Ų42.949%0.48624%0.242SC..Hα-helixtrans-61.6-42.7174.8-74.9171.3178.600111.7V189 K190 L195 G196V189-E193 WeakPolarHBondContact O-CG 3.22Å; V189-E193 PolarHBondContact O-N 3.06Å; K190-E193 WeakPolarHBondContact CD-OE2 3.46Å; K190-E193 IonicContact NZ-OE2 3.16Å; K190-E193 PolarHBondContact NZ-OE2 3.28Å; K190-E193 PolarHBondContact O-N 3.18Å; E193-L195 PolarHBondContact O-N 2.86Å; E193-G196 PolarHBondContact O-N 3.23Å
194I96.6Very high97.3Very high104 Ų10441.6 Ų41.653%0.53323%0.234SC..Hα-helixtrans-62.5-42.4175.4-66.3166.6000111.1L40 V70 K190 A191 G196L40-I194 HydrophobicContact CD1-CB 3.92Å; L40-I194 HydrophobicContact CD1-CG2 3.78Å; L40-I194 HydrophobicContact CD2-CG2 4.17Å; V70-I194 HydrophobicContact CG2-CD1 3.65Å; K190-I194 WeakPolarHBondContact O-CG1 3.36Å; K190-I194 PolarHBondContact O-N 3.07Å; K190-I194 VanDerWaalsContact O-N 3.1Å; A191-I194 PolarHBondContact O-N 2.89Å; I194-G196 VanDerWaalsContact C-N 3.33Å
195L97.4Very high97.4Very high33 Ų3338.3 Ų38.317%0.17322%0.218CC..Hα-helixtrans-70.8-28.2177.8-72.4172.3000113.1A6 L8 P38 L40 A191 L192 E193 L197 V202A6-L195 HydrophobicContact CB-CD1 3.87Å; A6-L195 HydrophobicContact CB-CD2 3.92Å; A6-L195 HydrophobicContact CB-CG 4.48Å; L8-L195 HydrophobicContact CD2-CD1 3.68Å; P38-L195 HydrophobicContact CB-CD2 3.98Å; L40-L195 HydrophobicContact CD1-CD1 4.33Å; L40-L195 HydrophobicContact CD1-CD2 4.14Å; L40-L195 HydrophobicContact CD1-CG 3.77Å; L40-L195 HydrophobicContact CG-CD2 4.01Å; L40-L195 HydrophobicContact CG-CG 4.17Å; A191-L195 WeakPolarHBondContact O-CG 3.22Å; A191-L195 PolarHBondContact O-N 3.48Å; A191-L195 VanDerWaalsContact O-N 3.13Å; L192-L195 PolarHBondContact O-N 2.89Å; E193-L195 PolarHBondContact O-N 2.86Å; L195-L197 VanDerWaalsContact C-N 3.26Å; L195-L197 HydrophobicContact CB-CB 4.32Å; L195-L197 HydrophobicContact CB-CD1 4.34Å; L195-L197 HydrophobicContact CB-CG 4.32Å; L195-L197 PolarHBondContact O-N 3.47Å; L195-V202 HydrophobicContact CD1-CG1 3.95Å; L195-V202 HydrophobicContact CD1-CG2 4.09Å
196G97.4Very high97.4Very high67 Ų6736.1 Ų36.169%0.69120%0.204SC*.THydrogen-bonded Turntrans64.629.1-173.200000113.5L192 E193 I194L192-G196 PolarHBondContact O-N 3.17Å; E193-G196 PolarHBondContact O-N 3.23Å; I194-G196 VanDerWaalsContact C-N 3.33Å
197L97.6Very high97.4Very high42 Ų4234.7 Ų34.722%0.2220%0.197CC..  trans-118154.1-176.6-68.4174.8000111.7K5 A6 L195 V202K5-L197 HydrophobicContact CB-CD1 3.92Å; K5-L197 HydrophobicContact CB-CD2 4.46Å; K5-L197 HydrophobicContact CD-CD2 4.12Å; A6-L197 HydrophobicContact CB-CD1 3.52Å; L195-L197 VanDerWaalsContact C-N 3.26Å; L195-L197 HydrophobicContact CB-CB 4.32Å; L195-L197 HydrophobicContact CB-CD1 4.34Å; L195-L197 HydrophobicContact CB-CG 4.32Å; L195-L197 PolarHBondContact O-N 3.47Å; L197-V202 HydrophobicContact CB-CG2 3.78Å; L197-V202 HydrophobicContact CD1-CG2 4.06Å
198D96.7Very high97.3Very high86 Ų8637.2 Ų37.246%0.4621%0.21SC..  trans-73.9146.5171.3-178.8-98.2000110.6S200 E201D198-S200 PolarHBondContact O-N 3.23Å; D198-S200 WeakPolarHBondContact OD1-CB 3.18Å; D198-S200 PolarHBondContact OD1-N 2.9Å; D198-S200 PolarHBondContact OD1-OG 3.41Å; D198-E201 HydrophobicContact CB-CG 4.31Å; D198-E201 PolarHBondContact N-OE2 3.35Å; D198-E201 WeakPolarHBondContact O-CA 3.31Å; D198-E201 WeakPolarHBondContact O-CB 3.19Å; D198-E201 PolarHBondContact O-N 3.22Å
199K96.8Very high97.2Very high85 Ų8537.7 Ų37.737%0.3721%0.212SC..G310 helixtrans-54.9-27.2178.663.8177.9-177.8-176.30114.2L192 E201 V219 M221L192-K199 HydrophobicContact CD1-CB 3.9Å; K199-E201 PolarHBondContact O-N 2.84Å; K199-V219 HydrophobicContact CB-CG1 4.36Å; K199-V219 HydrophobicContact CD-CG1 4.05Å; K199-V219 WeakPolarHBondContact CD-O 3.42Å; K199-V219 WeakPolarHBondContact CE-O 3.44Å; K199-V219 PolarHBondContact NZ-O 3.45Å; K199-M221 HydrophobicContact CB-CB 4.46Å; K199-M221 WeakPolarHBondContact O-CG 3.37Å
200S97Very high97.2Very high59 Ų5939.1 Ų39.141%0.41322%0.218SC..G310 helixtrans-73.4-12.6176.568.10000112.8K2 D198K2-S200 PolarHBondContact NZ-O 3.01Å; D198-S200 PolarHBondContact O-N 3.23Å; D198-S200 WeakPolarHBondContact OD1-CB 3.18Å; D198-S200 PolarHBondContact OD1-N 2.9Å; D198-S200 PolarHBondContact OD1-OG 3.41Å
201E97.8Very high97Very high54 Ų5439.6 Ų39.625%0.25222%0.221SC..G310 helixtrans-100.6-5.9-179-53.7-174.7111.400112.7K5 A6 D198 K199K5-E201 HydrophobicContact CB-CB 4.21Å; K5-E201 HydrophobicContact CD-CB 4.14Å; K5-E201 HydrophobicContact CD-CG 4.39Å; K5-E201 WeakPolarHBondContact CD-OE1 3.5Å; K5-E201 WeakPolarHBondContact CE-OE1 3.43Å; K5-E201 HydrophobicContact CG-CB 4.26Å; K5-E201 PolarHBondContact N-O 3.18Å; K5-E201 IonicContact NZ-OE1 2.61Å; K5-E201 PolarHBondContact NZ-OE1 2.94Å; A6-E201 PolarHBondContact N-O 3.19Å; D198-E201 HydrophobicContact CB-CG 4.31Å; D198-E201 PolarHBondContact N-OE2 3.35Å; D198-E201 WeakPolarHBondContact O-CA 3.31Å; D198-E201 WeakPolarHBondContact O-CB 3.19Å; D198-E201 PolarHBondContact O-N 3.22Å; K199-E201 PolarHBondContact O-N 2.84Å
202V98.4Very high97Very high0 Ų039.7 Ų39.70%022%0.222CC..EExtended strand (participates in β ladder)trans-117.6150.4-176.5-171.70000109A6 L8 L192 L195 L197 M221A6-V202 HydrophobicContact CB-CG1 4.42Å; A6-V202 HydrophobicContact CB-CG2 4.25Å; A6-V202 WeakPolarHBondContact O-CA 3.5Å; L8-V202 HydrophobicContact CD1-CG1 4.47Å; L8-V202 HydrophobicContact CD2-CG1 4.45Å; L8-V202 HydrophobicContact CG-CG1 3.84Å; L192-V202 HydrophobicContact CD2-CB 3.98Å; L192-V202 HydrophobicContact CD2-CG1 4.32Å; L192-V202 HydrophobicContact CD2-CG2 3.73Å; L195-V202 HydrophobicContact CD1-CG1 3.95Å; L195-V202 HydrophobicContact CD1-CG2 4.09Å; L197-V202 HydrophobicContact CB-CG2 3.78Å; L197-V202 HydrophobicContact CD1-CG2 4.06Å; V202-M221 HydrophobicContact CB-SD 3.73Å; V202-M221 HydrophobicContact CG1-SD 3.73Å; V202-M221 WeakPolarHBondContact O-CG 3.35Å
203A98.3Very high97Very high0 Ų038.7 Ų38.70%022%0.216CC..EExtended strand (participates in β ladder)trans-124.4140.6170.700000110.9Y4 A6 Y7 L8 D222 I224Y4-A203 HydrophobicContact CD1-CB 3.84Å; Y4-A203 HydrophobicContact CD2-CB 3.69Å; Y4-A203 HydrophobicContact CE1-CB 3.99Å; Y4-A203 HydrophobicContact CE2-CB 3.86Å; Y4-A203 HydrophobicContact CG-CB 3.7Å; A6-A203 PolarHBondContact O-N 2.8Å; Y7-A203 WeakPolarHBondContact CA-O 3.36Å; Y7-A203 HydrophobicContact CD1-CB 4Å; Y7-A203 HydrophobicContact CE1-CB 4.08Å; L8-A203 PolarHBondContact N-O 2.94Å; A203-D222 WeakPolarHBondContact CA-O 3.06Å; A203-I224 HydrophobicContact CB-CD1 3.76Å; A203-I224 HydrophobicContact CB-CG1 4.24Å
204M98.4Very high97Very high0 Ų035.8 Ų35.80%020%0.203CC..EExtended strand (participates in β ladder)trans-86.9129.4169.2-179.863.5-169.500110.1L8 D10 K182 M188 D212 M221 D222 T223 I224L8-M204 HydrophobicContact CB-SD 3.66Å; L8-M204 CarbonylContact O-C 3.6Å; L8-M204 WeakPolarHBondContact O-CA 3.43Å; D10-M204 HydrophobicContact CB-CE 3.9Å; K182-M204 HydrophobicContact CD-CE 3.99Å; M188-M204 HydrophobicContact CE-CB 4.01Å; M188-M204 HydrophobicContact CE-CG 3.97Å; M188-M204 HydrophobicContact CE-SD 3.71Å; M188-M204 HydrophobicContact SD-SD 4.41Å; M204-D212 HydrophobicContact CE-CB 3.82Å; M204-D212 WeakPolarHBondContact CG-O 3.46Å; M204-M221 HydrophobicContact CB-CE 3.44Å; M204-M221 VanDerWaalsContact CB-CE 3.44Å; M204-D222 PolarHBondContact N-O 3.45Å; M204-T223 HydrophobicContact CB-CG2 4.32Å; M204-T223 CarbonylContact O-C 3.54Å; M204-T223 WeakPolarHBondContact O-CA 3.39Å; M204-I224 PolarHBondContact O-N 3Å
205V98.5Very high97Very high0 Ų030.8 Ų30.80%018%0.178CC..EExtended strand (participates in β ladder)trans-110.5125.8176.2-170.60000108.6Y7 L8 I9 D10 T14 F28 I224 V226 L250Y7-V205 HydrophobicContact CD1-CG2 3.91Å; L8-V205 PolarHBondContact O-N 3.27Å; I9-V205 HydrophobicContact CG1-CB 4.41Å; I9-V205 HydrophobicContact CG1-CG2 4.37Å; D10-V205 PolarHBondContact N-O 2.61Å; T14-V205 HydrophobicContact CG2-CG1 4.11Å; F28-V205 HydrophobicContact CE1-CG2 4.39Å; F28-V205 HydrophobicContact CZ-CG2 4.47Å; V205-I224 WeakPolarHBondContact CA-O 3.49Å; V205-I224 HydrophobicContact CG2-CB 4.24Å; V205-I224 HydrophobicContact CG2-CD1 4.11Å; V205-V226 HydrophobicContact CG1-CG1 4.37Å; V205-L250 HydrophobicContact CG1-CD2 3.77Å
206G97.9Very high97Very high0 Ų029.2 Ų29.20%017%0.17CC..EExtended strand (participates in β ladder)trans-171.1168177.300000113.7T14 I224 H225 V226T14-G206 WeakPolarHBondContact OG1-CA 3.47Å; G206-I224 PolarHBondContact N-O 3.01Å; G206-I224 VanDerWaalsContact N-O 3.13Å; G206-H225 VanDerWaalsContact O-CA 3.31Å; G206-H225 WeakPolarHBondContact O-CA 3.33Å; G206-V226 PolarHBondContact O-N 3.16Å; G206-V226 VanDerWaalsContact O-N 3.07Å
207D96.6Very high97Very high2 Ų228 Ų281%0.01115%0.147CC..SBendtrans-102.5-27.2-179.270.5-73.7000113.4G13 T14 D212 H225 V226 G229 V230 S231G13-D207 WeakPolarHBondContact CA-OD1 3.37Å; T14-D207 PolarHBondContact OG1-N 3.15Å; T14-D207 PolarHBondContact OG1-OD1 2.91Å; D207-D212 PolarHBondContact N-OD2 2.82Å; D207-H225 PolarHBondContact O-CD2 2.99Å; D207-H225 PolarHBondContact O-NE2 3.24Å; D207-V226 WeakPolarHBondContact CA-O 3.26Å; D207-V226 HydrophobicContact CB-CG2 4.17Å; D207-V226 WeakPolarHBondContact CB-O 3.33Å; D207-G229 VanDerWaalsContact OD2-CA 3.24Å; D207-G229 WeakPolarHBondContact OD2-CA 3.3Å; D207-V230 PolarHBondContact OD2-N 3.2Å; D207-S231 WeakPolarHBondContact O-CB 3.46Å; D207-S231 PolarHBondContact O-N 3.38Å; D207-S231 PolarHBondContact O-OG 2.82Å
208L95.7Very high97Very high53 Ų5329.5 Ų29.528%0.27716%0.155SC..  trans-95.5113.9-172.7179.756.8000110.3D210 T211 D212 I213 V230L208-D210 PolarHBondContact O-N 3.35Å; L208-T211 VanDerWaalsContact CB-OG1 3.27Å; L208-T211 WeakPolarHBondContact CB-OG1 3.23Å; L208-T211 HydrophobicContact CD2-CG2 3.82Å; L208-T211 VanDerWaalsContact CD2-OG1 3.3Å; L208-T211 WeakPolarHBondContact CD2-OG1 3.25Å; L208-T211 HydrophobicContact CG-CG2 4.27Å; L208-T211 WeakPolarHBondContact CG-OG1 3.38Å; L208-T211 PolarHBondContact O-N 2.88Å; L208-T211 PolarHBondContact O-OG1 3.28Å; L208-D212 WeakPolarHBondContact CB-OD2 3.44Å; L208-D212 PolarHBondContact N-OD2 2.94Å; L208-D212 WeakPolarHBondContact O-CB 3.12Å; L208-D212 PolarHBondContact O-N 3.49Å; L208-I213 PolarHBondContact O-N 2.79Å; L208-V230 HydrophobicContact CD1-CB 3.93Å; L208-V230 HydrophobicContact CD1-CG1 3.84Å
209Y96.5Very high96.9Very high11 Ų1126.3 Ų26.34%0.04314%0.139CC..Iπ-helixtrans-58.9-51-175.3178.6-81.6000112.3T211 I213 M214 S231 V236 K239 V241Y209-T211 PolarHBondContact O-N 3.42Å; Y209-T211 VanDerWaalsContact O-N 3.15Å; Y209-I213 HydrophobicContact CD2-CB 4.06Å; Y209-I213 HydrophobicContact CD2-CG1 4.48Å; Y209-I213 HydrophobicContact CD2-CG2 3.88Å; Y209-I213 HydrophobicContact CE2-CG2 4Å; Y209-I213 HydrophobicContact CG-CB 4.42Å; Y209-M214 HydrophobicContact CD1-CG 4.1Å; Y209-M214 HydrophobicContact CE1-CG 3.68Å; Y209-M214 HydrophobicContact CE1-SD 3.66Å; Y209-M214 WeakPolarHBondContact O-CB 3.4Å; Y209-M214 VanDerWaalsContact O-CG 3.3Å; Y209-M214 WeakPolarHBondContact O-CG 3.27Å; Y209-M214 PolarHBondContact O-N 2.97Å; Y209-S231 PolarHBondContact N-OG 3.31Å; Y209-V236 HydrophobicContact CD2-CB 4Å; Y209-V236 HydrophobicContact CD2-CG1 3.85Å; Y209-V236 HydrophobicContact CG-CG1 4.29Å; Y209-K239 HydrophobicContact CD1-CD 3.67Å; Y209-K239 VanDerWaalsContact CD1-CE 3.4Å; Y209-K239 HydrophobicContact CD1-CG 3.87Å; Y209-K239 HydrophobicContact CD2-CB 4.36Å; Y209-K239 HydrophobicContact CD2-CG 3.91Å; Y209-K239 HydrophobicContact CE1-CB 3.97Å; Y209-K239 HydrophobicContact CE1-CD 3.43Å; Y209-K239 VanDerWaalsContact CE1-CD 3.43Å; Y209-K239 HydrophobicContact CE1-CG 3.61Å; Y209-K239 HydrophobicContact CE2-CB 3.57Å; Y209-K239 HydrophobicContact CE2-CD 4.38Å; Y209-K239 HydrophobicContact CE2-CG 3.6Å; Y209-K239 HydrophobicContact CG-CD 4.29Å; Y209-K239 HydrophobicContact CG-CG 4.04Å; Y209-K239 VanDerWaalsContact CZ-CG 3.47Å; Y209-K239 WeakPolarHBondContact OH-CB 3.48Å; Y209-V241 WeakPolarHBondContact CE2-O 3.4Å; Y209-V241 PolarHBondContact OH-O 2.87Å
210D94.7Very high96.9Very high91 Ų9124.6 Ų24.649%0.48715%0.145SC..Iπ-helixtrans-71.5-10.3-171.6-66.6-44.9000112.8P183 L208 K239P183-D210 WeakPolarHBondContact CB-O 3.36Å; P183-D210 WeakPolarHBondContact CG-O 3.38Å; L208-D210 PolarHBondContact O-N 3.35Å; D210-K239 IonicContact OD1-NZ 3.75Å; D210-K239 PolarHBondContact OD1-NZ 3.5Å; D210-K239 IonicContact OD2-NZ 3.24Å; D210-K239 PolarHBondContact OD2-NZ 3.3Å; D210-K239 VanDerWaalsContact OD2-NZ 3.16Å
211T94Very high96.9Very high19 Ų1922.1 Ų22.112%0.11713%0.127CC..Iπ-helixtrans-112-68.5173.854.30000111.8L208 Y209 S215L208-T211 VanDerWaalsContact CB-OG1 3.27Å; L208-T211 WeakPolarHBondContact CB-OG1 3.23Å; L208-T211 HydrophobicContact CD2-CG2 3.82Å; L208-T211 VanDerWaalsContact CD2-OG1 3.3Å; L208-T211 WeakPolarHBondContact CD2-OG1 3.25Å; L208-T211 HydrophobicContact CG-CG2 4.27Å; L208-T211 WeakPolarHBondContact CG-OG1 3.38Å; L208-T211 PolarHBondContact O-N 2.88Å; L208-T211 PolarHBondContact O-OG1 3.28Å; Y209-T211 PolarHBondContact O-N 3.42Å; Y209-T211 VanDerWaalsContact O-N 3.15Å; T211-S215 WeakPolarHBondContact O-CB 3.37Å; T211-S215 PolarHBondContact O-N 3.46Å; T211-S215 PolarHBondContact O-OG 3.41Å
212D95.9Very high96.9Very high2 Ų221.7 Ų21.71%0.01113%0.126CC..Iπ-helixtrans-74.3-50.1-166.2-49.8-47.1000111.4K182 M204 D207 L208 S215 G216K182-D212 VanDerWaalsContact CE-OD1 3.23Å; K182-D212 WeakPolarHBondContact CE-OD1 3.41Å; K182-D212 IonicContact NZ-OD1 2.82Å; K182-D212 PolarHBondContact NZ-OD1 3.2Å; M204-D212 HydrophobicContact CE-CB 3.82Å; M204-D212 WeakPolarHBondContact CG-O 3.46Å; D207-D212 PolarHBondContact N-OD2 2.82Å; L208-D212 WeakPolarHBondContact CB-OD2 3.44Å; L208-D212 PolarHBondContact N-OD2 2.94Å; L208-D212 WeakPolarHBondContact O-CB 3.12Å; L208-D212 PolarHBondContact O-N 3.49Å; D212-S215 WeakPolarHBondContact O-CB 3.42Å; D212-S215 PolarHBondContact O-N 3.2Å; D212-G216 PolarHBondContact O-N 3.44Å
213I97.6Very high96.9Very high0 Ų021.7 Ų21.70%013%0.126CC..Iπ-helixtrans-68.5-44.8-179.3-52.9-53.2000109.4L208 Y209 S215 G216 I217 T223 H225 P243L208-I213 PolarHBondContact O-N 2.79Å; Y209-I213 HydrophobicContact CD2-CB 4.06Å; Y209-I213 HydrophobicContact CD2-CG1 4.48Å; Y209-I213 HydrophobicContact CD2-CG2 3.88Å; Y209-I213 HydrophobicContact CE2-CG2 4Å; Y209-I213 HydrophobicContact CG-CB 4.42Å; I213-S215 VanDerWaalsContact C-N 3.31Å; I213-S215 PolarHBondContact O-N 3.13Å; I213-G216 PolarHBondContact O-N 3.32Å; I213-I217 HydrophobicContact CG2-CD1 3.73Å; I213-I217 HydrophobicContact CG2-CG1 4.44Å; I213-I217 VanDerWaalsContact O-CG1 3.31Å; I213-I217 WeakPolarHBondContact O-CG1 3.49Å; I213-I217 PolarHBondContact O-N 3.03Å; I213-T223 HydrophobicContact CG2-CG2 4.29Å; I213-T223 WeakPolarHBondContact O-CG2 3.39Å; I213-H225 HydrophobicContact CD1-CB 3.82Å; I213-H225 HydrophobicContact CG1-CB 4.38Å; I213-P243 HydrophobicContact CD1-CB 4.27Å; I213-P243 HydrophobicContact CG2-CB 3.72Å; I213-P243 HydrophobicContact CG2-CG 4.46Å
214M97.3Very high96.9Very high43 Ų4321.9 Ų21.921%0.21213%0.127CC..Hα-helixtrans-63.4-34.7174.7-76-55.1-51.300112.7P183 Y209 G216 I217 N218P183-M214 HydrophobicContact CB-CB 3.86Å; Y209-M214 HydrophobicContact CD1-CG 4.1Å; Y209-M214 HydrophobicContact CE1-CG 3.68Å; Y209-M214 HydrophobicContact CE1-SD 3.66Å; Y209-M214 WeakPolarHBondContact O-CB 3.4Å; Y209-M214 VanDerWaalsContact O-CG 3.3Å; Y209-M214 WeakPolarHBondContact O-CG 3.27Å; Y209-M214 PolarHBondContact O-N 2.97Å; M214-G216 PolarHBondContact O-N 3.46Å; M214-I217 HydrophobicContact CE-CG2 4.32Å; M214-I217 PolarHBondContact O-N 2.92Å; M214-I217 HydrophobicContact SD-CD1 4.1Å; M214-N218 VanDerWaalsContact CE-OD1 3.32Å; M214-N218 WeakPolarHBondContact CE-OD1 3.33Å; M214-N218 WeakPolarHBondContact O-CB 3.43Å; M214-N218 PolarHBondContact O-N 2.99Å; M214-N218 PolarHBondContact O-ND2 3.28Å
215S97Very high96.9Very high0 Ų021.9 Ų21.90%013%0.127CC..Hα-helixtrans-57.5-46.9172.5-100.70000112.4K182 P183 T211 D212 I213K182-S215 WeakPolarHBondContact CA-OG 3.39Å; K182-S215 WeakPolarHBondContact CB-OG 3.49Å; K182-S215 VanDerWaalsContact CG-OG 3.27Å; K182-S215 WeakPolarHBondContact CG-OG 3.35Å; P183-S215 WeakPolarHBondContact CA-OG 3.27Å; T211-S215 WeakPolarHBondContact O-CB 3.37Å; T211-S215 PolarHBondContact O-N 3.46Å; T211-S215 PolarHBondContact O-OG 3.41Å; D212-S215 WeakPolarHBondContact O-CB 3.42Å; D212-S215 PolarHBondContact O-N 3.2Å; I213-S215 VanDerWaalsContact C-N 3.31Å; I213-S215 PolarHBondContact O-N 3.13Å
216G97.3Very high96.9Very high0 Ų021.9 Ų21.90%013%0.127CC..Hα-helixtrans-65.8-46.5176.100000112.2D212 I213 M214 N218 V219 G220 M221D212-G216 PolarHBondContact O-N 3.44Å; I213-G216 PolarHBondContact O-N 3.32Å; M214-G216 PolarHBondContact O-N 3.46Å; G216-N218 PolarHBondContact O-N 3.1Å; G216-V219 PolarHBondContact O-N 2.75Å; G216-G220 PolarHBondContact O-N 3.31Å; G216-M221 PolarHBondContact O-N 2.92Å
217I97.1Very high96.8Very high41 Ų4125.1 Ų25.121%0.2114%0.142CC..Hα-helixtrans-59.7-43.9178.9-70.1167.5000111.5I213 M214 V219 G220 T223 V241I213-I217 HydrophobicContact CG2-CD1 3.73Å; I213-I217 HydrophobicContact CG2-CG1 4.44Å; I213-I217 VanDerWaalsContact O-CG1 3.31Å; I213-I217 WeakPolarHBondContact O-CG1 3.49Å; I213-I217 PolarHBondContact O-N 3.03Å; M214-I217 HydrophobicContact CE-CG2 4.32Å; M214-I217 PolarHBondContact O-N 2.92Å; M214-I217 HydrophobicContact SD-CD1 4.1Å; I217-V219 PolarHBondContact O-N 2.89Å; I217-G220 PolarHBondContact O-N 3.46Å; I217-T223 HydrophobicContact CG1-CG2 4.43Å; I217-V241 HydrophobicContact CD1-CB 4.1Å; I217-V241 HydrophobicContact CD1-CG1 3.74Å; I217-V241 WeakPolarHBondContact CD1-O 3.43Å; I217-V241 HydrophobicContact CG1-CG1 4.15Å; I217-V241 HydrophobicContact CG2-CB 4.47Å; I217-V241 HydrophobicContact CG2-CG1 3.97Å
218N96.8Very high96.8Very high74 Ų7426.8 Ų26.840%0.39615%0.153SC..Hα-helixtrans-63-26.3-178.1-74.4-18.1000112.8P183 P185 M214 G216P183-N218 PolarHBondContact O-ND2 3.07Å; P185-N218 HydrophobicContact CG-CB 4.33Å; M214-N218 VanDerWaalsContact CE-OD1 3.32Å; M214-N218 WeakPolarHBondContact CE-OD1 3.33Å; M214-N218 WeakPolarHBondContact O-CB 3.43Å; M214-N218 PolarHBondContact O-N 2.99Å; M214-N218 PolarHBondContact O-ND2 3.28Å; G216-N218 PolarHBondContact O-N 3.1Å
219V96.1Very high96.5Very high19 Ų1925.4 Ų25.412%0.11515%0.152CC..Hα-helixtrans-93.4-15.2173.9-178.50000111.9P185 M188 L192 K199 G216 I217P185-V219 HydrophobicContact CB-CG2 3.97Å; M188-V219 HydrophobicContact CB-CG2 3.73Å; M188-V219 HydrophobicContact CG-CG2 4.31Å; L192-V219 HydrophobicContact CD1-CG1 4.07Å; K199-V219 HydrophobicContact CB-CG1 4.36Å; K199-V219 HydrophobicContact CD-CG1 4.05Å; K199-V219 WeakPolarHBondContact CD-O 3.42Å; K199-V219 WeakPolarHBondContact CE-O 3.44Å; K199-V219 PolarHBondContact NZ-O 3.45Å; G216-V219 PolarHBondContact O-N 2.75Å; I217-V219 PolarHBondContact O-N 2.89Å
220G96.4Very high96.3Very high48 Ų4829.5 Ų29.550%0.49518%0.178SC..THydrogen-bonded Turntrans78.535.9-174.900000112.6G216 I217G216-G220 PolarHBondContact O-N 3.31Å; I217-G220 PolarHBondContact O-N 3.46Å
221M96.8Very high96.2Very high7 Ų725.7 Ų25.73%0.03416%0.158CC..  trans-99151.2173.5-177.9171.455.400109.8L8 M188 K199 V202 M204 G216L8-M221 HydrophobicContact CD1-CE 4.08Å; L8-M221 HydrophobicContact CD1-SD 4.47Å; M188-M221 HydrophobicContact CE-CE 3.27Å; K199-M221 HydrophobicContact CB-CB 4.46Å; K199-M221 WeakPolarHBondContact O-CG 3.37Å; V202-M221 HydrophobicContact CB-SD 3.73Å; V202-M221 HydrophobicContact CG1-SD 3.73Å; V202-M221 WeakPolarHBondContact O-CG 3.35Å; M204-M221 HydrophobicContact CB-CE 3.44Å; M204-M221 VanDerWaalsContact CB-CE 3.44Å; G216-M221 PolarHBondContact O-N 2.92Å
222D98Very high96.2Very high45 Ų4528 Ų2824%0.24117%0.172CC..EExtended strand (participates in β ladder)trans-67146.7172.3-75.9-38.8000111.3Y4 A203 M204 T244Y4-D222 HydrophobicContact CE1-CB 3.72Å; Y4-D222 WeakPolarHBondContact CE1-OD2 3.41Å; Y4-D222 WeakPolarHBondContact OH-CB 3.45Å; Y4-D222 PolarHBondContact OH-OD2 3.37Å; A203-D222 WeakPolarHBondContact CA-O 3.06Å; M204-D222 PolarHBondContact N-O 3.45Å; D222-T244 WeakPolarHBondContact CA-OG1 3.49Å; D222-T244 HydrophobicContact CB-CG2 4.26Å; D222-T244 WeakPolarHBondContact OD1-CG2 3.38Å; D222-T244 PolarHBondContact OD1-OG1 3.35Å
223T98.2Very high96.2Very high1 Ų130.7 Ų30.71%0.00619%0.186CC..EExtended strand (participates in β ladder)trans-125.2140.3-176.653.20000111.5M204 I213 I217 P243 T244 Y245M204-T223 HydrophobicContact CB-CG2 4.32Å; M204-T223 CarbonylContact O-C 3.54Å; M204-T223 WeakPolarHBondContact O-CA 3.39Å; I213-T223 HydrophobicContact CG2-CG2 4.29Å; I213-T223 WeakPolarHBondContact O-CG2 3.39Å; I217-T223 HydrophobicContact CG1-CG2 4.43Å; T223-P243 WeakPolarHBondContact OG1-CA 3.4Å; T223-P243 WeakPolarHBondContact OG1-CB 3.42Å; T223-T244 PolarHBondContact N-OG1 3.37Å; T223-T244 VanDerWaalsContact N-OG1 3.16Å; T223-T244 WeakPolarHBondContact O-CB 3.37Å; T223-T244 PolarHBondContact O-N 3.02Å; T223-T244 VanDerWaalsContact O-N 3.14Å; T223-T244 PolarHBondContact OG1-N 2.77Å; T223-Y245 PolarHBondContact O-N 3Å
224I98.3Very high96.2Very high3 Ų337.2 Ų37.22%0.01522%0.217CC..EExtended strand (participates in β ladder)trans-118.7103.7178.5-58.6167000106.5M1 Y7 A203 M204 V205 G206 Y245 F247M1-I224 HydrophobicContact CE-CD1 3.36Å; M1-I224 HydrophobicContact CE-CG1 4.29Å; M1-I224 HydrophobicContact SD-CD1 4.12Å; Y7-I224 HydrophobicContact CD1-CD1 4.1Å; Y7-I224 HydrophobicContact CE1-CD1 3.71Å; A203-I224 HydrophobicContact CB-CD1 3.76Å; A203-I224 HydrophobicContact CB-CG1 4.24Å; M204-I224 PolarHBondContact O-N 3Å; V205-I224 WeakPolarHBondContact CA-O 3.49Å; V205-I224 HydrophobicContact CG2-CB 4.24Å; V205-I224 HydrophobicContact CG2-CD1 4.11Å; G206-I224 PolarHBondContact N-O 3.01Å; G206-I224 VanDerWaalsContact N-O 3.13Å; I224-Y245 HydrophobicContact CG1-CD2 3.94Å; I224-F247 HydrophobicContact CG2-CD2 3.68Å; I224-F247 HydrophobicContact CG2-CE2 3.82Å
225H98.5Very high96Very high0 Ų038.9 Ų38.90%023%0.226CC..EExtended strand (participates in β ladder)trans-81.6134.9174.9170.9-102.3000111G206 D207 I213 S231 P243 Y245 S246 F247G206-H225 VanDerWaalsContact O-CA 3.31Å; G206-H225 WeakPolarHBondContact O-CA 3.33Å; D207-H225 PolarHBondContact O-CD2 2.99Å; D207-H225 PolarHBondContact O-NE2 3.24Å; I213-H225 HydrophobicContact CD1-CB 3.82Å; I213-H225 HydrophobicContact CG1-CB 4.38Å; H225-S231 PolarHBondContact CE1-O 3.38Å; H225-S231 PolarHBondContact NE2-O 2.88Å; H225-P243 HydrophobicContact CB-CB 3.83Å; H225-P243 HydrophobicContact CB-CG 3.68Å; H225-Y245 PolarHBondContact N-O 2.94Å; H225-S246 PolarHBondContact ND1-OG 3.27Å; H225-S246 CarbonylContact O-C 3.59Å; H225-S246 WeakPolarHBondContact O-CA 3.44Å; H225-F247 PolarHBondContact O-N 3.41Å
226V98Very high96Very high0 Ų038.9 Ų38.90%023%0.227CC..EExtended strand (participates in β ladder)trans-115.6134.7170.5-66.20000110.3T14 V205 G206 D207 T228 L250T14-V226 HydrophobicContact CG2-CG2 4.12Å; V205-V226 HydrophobicContact CG1-CG1 4.37Å; G206-V226 PolarHBondContact O-N 3.16Å; G206-V226 VanDerWaalsContact O-N 3.07Å; D207-V226 WeakPolarHBondContact CA-O 3.26Å; D207-V226 HydrophobicContact CB-CG2 4.17Å; D207-V226 WeakPolarHBondContact CB-O 3.33Å; V226-T228 WeakPolarHBondContact CG2-OG1 3.37Å; V226-T228 PolarHBondContact O-N 3.14Å; V226-L250 HydrophobicContact CG1-CD2 3.71Å; V226-L250 HydrophobicContact CG1-CG 4.04Å
227Q96.8Very high95.8Very high68 Ų6844.9 Ų44.932%0.31826%0.255SS..THydrogen-bonded Turntrans-84.618.9-174.5-62.7163.251.700113.3L233 F247 K248Q227-L233 HydrophobicContact CG-CB 4.31Å; Q227-F247 WeakPolarHBondContact CG-O 3.34Å; Q227-F247 PolarHBondContact N-O 3.47Å; Q227-F247 VanDerWaalsContact NE2-C 3.33Å; Q227-F247 PolarHBondContact NE2-O 2.84Å; Q227-K248 PolarHBondContact N-O 3.3Å
228T94.8Very high95.7Very high37 Ų3748.9 Ų48.923%0.22728%0.276CS..THydrogen-bonded Turntrans-84.1-16.4-174.446.50000113.7G13 I22 V226 D249G13-T228 CarbonylContact O-C 3.44Å; G13-T228 WeakPolarHBondContact O-CB 3.24Å; G13-T228 PolarHBondContact O-OG1 2.77Å; I22-T228 HydrophobicContact CG2-CG2 3.74Å; V226-T228 WeakPolarHBondContact CG2-OG1 3.37Å; V226-T228 PolarHBondContact O-N 3.14Å; T228-D249 HydrophobicContact CG2-CB 3.77Å
229G91.1Very high95.6Very high25 Ų2548.7 Ų48.726%0.25827%0.272SS..SBendtrans-114.9-122.6-178.400000113.4G13 D207G13-G229 PolarHBondContact O-N 2.69Å; D207-G229 VanDerWaalsContact OD2-CA 3.24Å; D207-G229 WeakPolarHBondContact OD2-CA 3.3Å
230V90.9Very high95.5Very high97 Ų9755.8 Ų55.859%0.58831%0.309SS*.SBendtrans-87-45.6-163.6-1780000113.2D207 L208D207-V230 PolarHBondContact OD2-N 3.2Å; L208-V230 HydrophobicContact CD1-CB 3.93Å; L208-V230 HydrophobicContact CD1-CG1 3.84Å
231S93Very high95.5Very high11 Ų1157 Ų578%0.07731%0.307CS..  trans-87.4130.8-174.9-49.50000111D207 Y209 H225D207-S231 WeakPolarHBondContact O-CB 3.46Å; D207-S231 PolarHBondContact O-N 3.38Å; D207-S231 PolarHBondContact O-OG 2.82Å; Y209-S231 PolarHBondContact N-OG 3.31Å; H225-S231 PolarHBondContact CE1-O 3.38Å; H225-S231 PolarHBondContact NE2-O 2.88Å
232T94.9Very high95.5Very high67 Ų6760.1 Ų60.141%0.41133%0.328SS..  trans-83.8164.6174.969.60000111.3E234 D235 V236T232-E234 PolarHBondContact O-N 3.49Å; T232-D235 WeakPolarHBondContact CB-OD2 3.41Å; T232-D235 WeakPolarHBondContact CG2-OD2 3.33Å; T232-D235 PolarHBondContact N-OD2 2.9Å; T232-D235 PolarHBondContact O-N 2.87Å; T232-D235 PolarHBondContact OG1-N 3.4Å; T232-D235 VanDerWaalsContact OG1-N 3.16Å; T232-D235 PolarHBondContact OG1-OD2 3.39Å; T232-V236 PolarHBondContact O-N 3.27Å; T232-V236 VanDerWaalsContact O-N 3.14Å
233L96.2Very high95.5Very high58 Ų5858.7 Ų58.730%0.30432%0.321SS..Hα-helixtrans-55.2-40.3172.2-179.263000112.2Q227 V236 Q237 S246Q227-L233 HydrophobicContact CG-CB 4.31Å; L233-V236 HydrophobicContact CD1-CG2 4.49Å; L233-V236 WeakPolarHBondContact O-CG2 3.46Å; L233-Q237 HydrophobicContact CD1-CG 4.15Å; L233-Q237 HydrophobicContact CG-CG 4.41Å; L233-Q237 WeakPolarHBondContact O-CB 3.41Å; L233-Q237 WeakPolarHBondContact O-CG 3.11Å; L233-Q237 PolarHBondContact O-N 2.94Å; L233-Q237 VanDerWaalsContact O-N 3.08Å; L233-S246 VanDerWaalsContact CD1-OG 3.22Å; L233-S246 WeakPolarHBondContact CD1-OG 3.28Å
234E96Very high95.5Very high137 Ų13761.7 Ų61.764%0.6434%0.339SS*.Hα-helixtrans-66-42.7178.9-176.8174.8-176.300111.1T232 V236 Q237 N238T232-E234 PolarHBondContact O-N 3.49Å; E234-V236 PolarHBondContact O-N 3.22Å; E234-Q237 PolarHBondContact O-N 3.2Å; E234-N238 PolarHBondContact O-N 3.43Å; E234-N238 PolarHBondContact O-ND2 3.42Å
235D94.4Very high95.4Very high78 Ų7864.2 Ų64.242%0.41735%0.349SS..Hα-helixtrans-58.2-49177.9-64.3-45.1000111.2T232 N238 K239T232-D235 WeakPolarHBondContact CB-OD2 3.41Å; T232-D235 WeakPolarHBondContact CG2-OD2 3.33Å; T232-D235 PolarHBondContact N-OD2 2.9Å; T232-D235 PolarHBondContact O-N 2.87Å; T232-D235 PolarHBondContact OG1-N 3.4Å; T232-D235 VanDerWaalsContact OG1-N 3.16Å; T232-D235 PolarHBondContact OG1-OD2 3.39Å; D235-N238 PolarHBondContact O-N 3.27Å; D235-K239 WeakPolarHBondContact O-CG 3.24Å
236V95.5Very high95.4Very high1 Ų165.9 Ų65.91%0.00636%0.361CS..Hα-helixtrans-73.4-30.7-175.7-54.90000113.1Y209 T232 L233 E234 N238 K239 P243Y209-V236 HydrophobicContact CD2-CB 4Å; Y209-V236 HydrophobicContact CD2-CG1 3.85Å; Y209-V236 HydrophobicContact CG-CG1 4.29Å; T232-V236 PolarHBondContact O-N 3.27Å; T232-V236 VanDerWaalsContact O-N 3.14Å; L233-V236 HydrophobicContact CD1-CG2 4.49Å; L233-V236 WeakPolarHBondContact O-CG2 3.46Å; E234-V236 PolarHBondContact O-N 3.22Å; V236-N238 VanDerWaalsContact C-N 3.3Å; V236-K239 PolarHBondContact O-N 2.88Å; V236-P243 HydrophobicContact CB-CG 4.09Å; V236-P243 HydrophobicContact CG2-CG 3.95Å
237Q93.7Very high95.4Very high126 Ų12667 Ų6759%0.58937%0.366SS*.Hα-helixtrans-70.8-26.3176-77.1179.8-11.500113L233 E234 K239L233-Q237 HydrophobicContact CD1-CG 4.15Å; L233-Q237 HydrophobicContact CG-CG 4.41Å; L233-Q237 WeakPolarHBondContact O-CB 3.41Å; L233-Q237 WeakPolarHBondContact O-CG 3.11Å; L233-Q237 PolarHBondContact O-N 2.94Å; L233-Q237 VanDerWaalsContact O-N 3.08Å; E234-Q237 PolarHBondContact O-N 3.2Å; Q237-K239 VanDerWaalsContact C-N 3.32Å
238N94.8Very high95.4Very high124 Ų12469.7 Ų69.766%0.66338%0.376SS*.THydrogen-bonded Turntrans-84.3-3.7178.2-73.2-37.7000113.7E234 D235 V236E234-N238 PolarHBondContact O-N 3.43Å; E234-N238 PolarHBondContact O-ND2 3.42Å; D235-N238 PolarHBondContact O-N 3.27Å; V236-N238 VanDerWaalsContact C-N 3.3Å
239K95Very high95.5Very high70 Ų7069.2 Ų69.230%0.30437%0.372SS..SBendtrans-81.7155.4178.5-62.4-83.7-169.5162.50111.1Y209 D210 D235 V236 Q237 V241Y209-K239 HydrophobicContact CD1-CD 3.67Å; Y209-K239 VanDerWaalsContact CD1-CE 3.4Å; Y209-K239 HydrophobicContact CD1-CG 3.87Å; Y209-K239 HydrophobicContact CD2-CB 4.36Å; Y209-K239 HydrophobicContact CD2-CG 3.91Å; Y209-K239 HydrophobicContact CE1-CB 3.97Å; Y209-K239 HydrophobicContact CE1-CD 3.43Å; Y209-K239 VanDerWaalsContact CE1-CD 3.43Å; Y209-K239 HydrophobicContact CE1-CG 3.61Å; Y209-K239 HydrophobicContact CE2-CB 3.57Å; Y209-K239 HydrophobicContact CE2-CD 4.38Å; Y209-K239 HydrophobicContact CE2-CG 3.6Å; Y209-K239 HydrophobicContact CG-CD 4.29Å; Y209-K239 HydrophobicContact CG-CG 4.04Å; Y209-K239 VanDerWaalsContact CZ-CG 3.47Å; Y209-K239 WeakPolarHBondContact OH-CB 3.48Å; D210-K239 IonicContact OD1-NZ 3.75Å; D210-K239 PolarHBondContact OD1-NZ 3.5Å; D210-K239 IonicContact OD2-NZ 3.24Å; D210-K239 PolarHBondContact OD2-NZ 3.3Å; D210-K239 VanDerWaalsContact OD2-NZ 3.16Å; D235-K239 WeakPolarHBondContact O-CG 3.24Å; V236-K239 PolarHBondContact O-N 2.88Å; Q237-K239 VanDerWaalsContact C-N 3.32Å; K239-V241 PolarHBondContact O-N 3.49Å
240N94.4Very high95.8Very high169 Ų16968 Ų6890%0.90436%0.36SS*.SBendtrans-60.8-32.6-178.8-70.9-25.1000113.4
241V96.5Very high96.2Very high73 Ų7365.6 Ų65.644%0.44234%0.344SS..SBendtrans-12993178.4-173.60000107.9Y209 I217 K239Y209-V241 WeakPolarHBondContact CE2-O 3.4Å; Y209-V241 PolarHBondContact OH-O 2.87Å; I217-V241 HydrophobicContact CD1-CB 4.1Å; I217-V241 HydrophobicContact CD1-CG1 3.74Å; I217-V241 WeakPolarHBondContact CD1-O 3.43Å; I217-V241 HydrophobicContact CG1-CG1 4.15Å; I217-V241 HydrophobicContact CG2-CB 4.47Å; I217-V241 HydrophobicContact CG2-CG1 3.97Å; K239-V241 PolarHBondContact O-N 3.49Å
242P96.6Very high96.4Very high73 Ų7369.3 Ų69.347%0.47436%0.36SS..  trans-67.3159.3-179.628.8-35.2000111.4
243P97.5Very high96.5Very high15 Ų1566.2 Ų66.210%0.09734%0.341CS..  trans-60.8154.1172.126.7-34.9000111.7I213 T223 H225 V236 Y245I213-P243 HydrophobicContact CD1-CB 4.27Å; I213-P243 HydrophobicContact CG2-CB 3.72Å; I213-P243 HydrophobicContact CG2-CG 4.46Å; T223-P243 WeakPolarHBondContact OG1-CA 3.4Å; T223-P243 WeakPolarHBondContact OG1-CB 3.42Å; H225-P243 HydrophobicContact CB-CB 3.83Å; H225-P243 HydrophobicContact CB-CG 3.68Å; V236-P243 HydrophobicContact CB-CG 4.09Å; V236-P243 HydrophobicContact CG2-CG 3.95Å; P243-Y245 VanDerWaalsContact C-N 3.3Å; P243-Y245 PolarHBondContact O-N 2.98Å
244T97.8Very high96.5Very high63 Ų6364.3 Ų64.339%0.38733%0.331SS..SBendtrans-61.8-41.2179.3-500000111.2D222 T223D222-T244 WeakPolarHBondContact CA-OG1 3.49Å; D222-T244 HydrophobicContact CB-CG2 4.26Å; D222-T244 WeakPolarHBondContact OD1-CG2 3.38Å; D222-T244 PolarHBondContact OD1-OG1 3.35Å; T223-T244 PolarHBondContact N-OG1 3.37Å; T223-T244 VanDerWaalsContact N-OG1 3.16Å; T223-T244 WeakPolarHBondContact O-CB 3.37Å; T223-T244 PolarHBondContact O-N 3.02Å; T223-T244 VanDerWaalsContact O-N 3.14Å; T223-T244 PolarHBondContact OG1-N 2.77Å
245Y97.7Very high96.6Very high56 Ų5660.1 Ų60.122%0.2232%0.32CS..EExtended strand (participates in β ladder)trans-133.6153.9174.2-48.7-81.4000110.5M1 K2 Y4 T223 I224 H225 P243 F247M1-Y245 HydrophobicContact CB-CD1 4.42Å; M1-Y245 HydrophobicContact CB-CE1 4.08Å; M1-Y245 HydrophobicContact CG-CD1 4.07Å; M1-Y245 HydrophobicContact CG-CD2 3.97Å; M1-Y245 HydrophobicContact CG-CE1 3.8Å; M1-Y245 HydrophobicContact CG-CE2 3.69Å; M1-Y245 HydrophobicContact CG-CG 4.14Å; M1-Y245 HydrophobicContact SD-CD2 4.38Å; K2-Y245 PolarHBondContact N-OH 3.17Å; K2-Y245 VanDerWaalsContact N-OH 3.09Å; Y4-Y245 HydrophobicContact CE2-CE2 4.08Å; Y4-Y245 WeakPolarHBondContact OH-CE2 3.28Å; T223-Y245 PolarHBondContact O-N 3Å; I224-Y245 HydrophobicContact CG1-CD2 3.94Å; H225-Y245 PolarHBondContact N-O 2.94Å; P243-Y245 VanDerWaalsContact C-N 3.3Å; P243-Y245 PolarHBondContact O-N 2.98Å; Y245-F247 HydrophobicContact CG-CE2 4.34Å; Y245-F247 HydrophobicContact CG-CZ 4.44Å
246S97.8Very high96.6Very high36 Ų3659.1 Ų59.125%0.25231%0.313SS..EExtended strand (participates in β ladder)trans-141.1125.8172.5-178.40000109.1H225 L233H225-S246 PolarHBondContact ND1-OG 3.27Å; H225-S246 CarbonylContact O-C 3.59Å; H225-S246 WeakPolarHBondContact O-CA 3.44Å; L233-S246 VanDerWaalsContact CD1-OG 3.22Å; L233-S246 WeakPolarHBondContact CD1-OG 3.28Å
247F97.8Very high96.5Very high24 Ų2459.1 Ų59.111%0.10531%0.313CS..EExtended strand (participates in β ladder)trans-124155.8-179.1-60.3-70.8000110.1M1 I224 H225 Q227 Y245 D249 E252 A253 E256M1-F247 HydrophobicContact SD-CE2 3.87Å; M1-F247 HydrophobicContact SD-CZ 4Å; I224-F247 HydrophobicContact CG2-CD2 3.68Å; I224-F247 HydrophobicContact CG2-CE2 3.82Å; H225-F247 PolarHBondContact O-N 3.41Å; Q227-F247 WeakPolarHBondContact CG-O 3.34Å; Q227-F247 PolarHBondContact N-O 3.47Å; Q227-F247 VanDerWaalsContact NE2-C 3.33Å; Q227-F247 PolarHBondContact NE2-O 2.84Å; Y245-F247 HydrophobicContact CG-CE2 4.34Å; Y245-F247 HydrophobicContact CG-CZ 4.44Å; F247-D249 VanDerWaalsContact C-N 3.27Å; F247-D249 WeakPolarHBondContact CB-O 3.45Å; F247-D249 PolarHBondContact O-N 3.09Å; F247-E252 HydrophobicContact CB-CB 4.08Å; F247-E252 HydrophobicContact CD1-CB 4.17Å; F247-E252 HydrophobicContact CG-CB 4.45Å; F247-A253 HydrophobicContact CD2-CB 3.65Å; F247-A253 HydrophobicContact CE2-CB 3.98Å; F247-A253 HydrophobicContact CG-CB 4.1Å; F247-E256 HydrophobicContact CE1-CB 3.96Å; F247-E256 HydrophobicContact CE1-CG 4.06Å; F247-E256 HydrophobicContact CZ-CB 4.09Å; F247-E256 HydrophobicContact CZ-CG 4Å
248K97.2Very high96.5Very high123 Ų12359.3 Ų59.354%0.53531%0.314SS..SBendtrans-62.8-40.7176-172.6-174.2170.2-162.40111.4Q227 E252Q227-K248 PolarHBondContact N-O 3.3Å; K248-E252 VanDerWaalsContact CB-CD 3.43Å; K248-E252 HydrophobicContact CB-CG 4.45Å; K248-E252 WeakPolarHBondContact CB-OE1 3.07Å; K248-E252 WeakPolarHBondContact CB-OE2 3.41Å; K248-E252 PolarHBondContact N-OE2 3.06Å
249D97.2Very high96.2Very high27 Ų2762.8 Ų62.814%0.14432%0.323CS..SBendtrans-156.7-179.818055.647000109.9T228 F247 N251 E252 A253T228-D249 HydrophobicContact CG2-CB 3.77Å; F247-D249 VanDerWaalsContact C-N 3.27Å; F247-D249 WeakPolarHBondContact CB-O 3.45Å; F247-D249 PolarHBondContact O-N 3.09Å; D249-N251 VanDerWaalsContact C-N 3.3Å; D249-N251 PolarHBondContact O-N 3.09Å; D249-N251 WeakPolarHBondContact OD1-CA 3.12Å; D249-N251 VanDerWaalsContact OD1-CB 3.27Å; D249-N251 WeakPolarHBondContact OD1-CB 3.42Å; D249-N251 PolarHBondContact OD1-N 3.02Å; D249-E252 PolarHBondContact O-N 3.05Å; D249-E252 PolarHBondContact OD1-N 3.37Å; D249-A253 PolarHBondContact O-N 3.44Å
250L97.9Very high96.3Very high1 Ų162.4 Ų62.41%0.00532%0.324CS..Hα-helixtrans-71.9-20.4179.2-70.5170.6000113.5M15 A25 F28 V205 V226 A253 I254M15-L250 HydrophobicContact SD-CD1 4.15Å; A25-L250 HydrophobicContact CB-CD1 4.39Å; F28-L250 HydrophobicContact CB-CB 3.97Å; F28-L250 HydrophobicContact CB-CD1 4.07Å; F28-L250 HydrophobicContact CB-CG 4.41Å; F28-L250 HydrophobicContact CD1-CD1 4.22Å; F28-L250 HydrophobicContact CD1-CD2 4Å; F28-L250 HydrophobicContact CD2-CD2 4.3Å; F28-L250 HydrophobicContact CE1-CD2 4.25Å; F28-L250 HydrophobicContact CG-CB 4.31Å; F28-L250 HydrophobicContact CG-CD1 4.3Å; F28-L250 HydrophobicContact CG-CD2 4.02Å; F28-L250 HydrophobicContact CG-CG 4.45Å; V205-L250 HydrophobicContact CG1-CD2 3.77Å; V226-L250 HydrophobicContact CG1-CD2 3.71Å; V226-L250 HydrophobicContact CG1-CG 4.04Å; L250-A253 WeakPolarHBondContact O-CB 3.32Å; L250-A253 PolarHBondContact O-N 2.85Å; L250-I254 VanDerWaalsContact O-CG1 3.27Å; L250-I254 WeakPolarHBondContact O-CG1 3.39Å; L250-I254 PolarHBondContact O-N 2.68Å
251N97.8Very high96.4Very high46 Ų4656.8 Ų56.825%0.24629%0.293CS..Hα-helixtrans-66.3-41.1174.5-68.2-59.4000110.9D23 G24 D249 A253 I254 A255D23-N251 PolarHBondContact OD2-ND2 2.84Å; D23-N251 VanDerWaalsContact OD2-ND2 3.07Å; G24-N251 WeakPolarHBondContact CA-ND2 3.22Å; G24-N251 WeakPolarHBondContact CA-OD1 3.21Å; G24-N251 PolarHBondContact N-ND2 3.4Å; D249-N251 VanDerWaalsContact C-N 3.3Å; D249-N251 PolarHBondContact O-N 3.09Å; D249-N251 WeakPolarHBondContact OD1-CA 3.12Å; D249-N251 VanDerWaalsContact OD1-CB 3.27Å; D249-N251 WeakPolarHBondContact OD1-CB 3.42Å; D249-N251 PolarHBondContact OD1-N 3.02Å; N251-A253 VanDerWaalsContact C-N 3.31Å; N251-A253 PolarHBondContact O-N 2.56Å; N251-I254 PolarHBondContact O-N 3.35Å; N251-A255 PolarHBondContact O-N 3.27Å
252E97.7Very high96.4Very high88 Ų8855.9 Ų55.941%0.41129%0.285SS..Hα-helixtrans-63.7-37.3173.7-74.7-173.5-173.900112.2F247 K248 D249 A255 E256F247-E252 HydrophobicContact CB-CB 4.08Å; F247-E252 HydrophobicContact CD1-CB 4.17Å; F247-E252 HydrophobicContact CG-CB 4.45Å; K248-E252 VanDerWaalsContact CB-CD 3.43Å; K248-E252 HydrophobicContact CB-CG 4.45Å; K248-E252 WeakPolarHBondContact CB-OE1 3.07Å; K248-E252 WeakPolarHBondContact CB-OE2 3.41Å; K248-E252 PolarHBondContact N-OE2 3.06Å; D249-E252 PolarHBondContact O-N 3.05Å; D249-E252 PolarHBondContact OD1-N 3.37Å; E252-A255 PolarHBondContact O-N 3.37Å; E252-E256 PolarHBondContact O-N 2.61Å; E252-E256 VanDerWaalsContact O-N 3.09Å
253A97Very high96.4Very high2 Ų254.9 Ų54.92%0.01727%0.274CS..Hα-helixtrans-63.2-43.1175.100000111.9F247 D249 L250 N251 E256 L257F247-A253 HydrophobicContact CD2-CB 3.65Å; F247-A253 HydrophobicContact CE2-CB 3.98Å; F247-A253 HydrophobicContact CG-CB 4.1Å; D249-A253 PolarHBondContact O-N 3.44Å; L250-A253 WeakPolarHBondContact O-CB 3.32Å; L250-A253 PolarHBondContact O-N 2.85Å; N251-A253 VanDerWaalsContact C-N 3.31Å; N251-A253 PolarHBondContact O-N 2.56Å; A253-E256 PolarHBondContact O-N 2.78Å; A253-L257 WeakPolarHBondContact O-CG 3.46Å; A253-L257 PolarHBondContact O-N 3.08Å
254I96.8Very high96.3Very high18 Ų1857.4 Ų57.49%0.09229%0.285CS..Hα-helixtrans-59.7-49.3174.2-63.3162.5000110.3Q27 F28 Y31 L250 N251 E256 L257 E258Q27-I254 HydrophobicContact CB-CD1 3.78Å; F28-I254 HydrophobicContact CB-CD1 4.12Å; F28-I254 HydrophobicContact CB-CG1 4.39Å; F28-I254 HydrophobicContact CD2-CD1 4.4Å; F28-I254 HydrophobicContact CD2-CG1 3.75Å; Y31-I254 HydrophobicContact CD2-CG2 3.93Å; Y31-I254 HydrophobicContact CE2-CG2 4.37Å; Y31-I254 HydrophobicContact CG-CG2 4.27Å; L250-I254 VanDerWaalsContact O-CG1 3.27Å; L250-I254 WeakPolarHBondContact O-CG1 3.39Å; L250-I254 PolarHBondContact O-N 2.68Å; N251-I254 PolarHBondContact O-N 3.35Å; I254-E256 PolarHBondContact O-N 2.88Å; I254-E256 VanDerWaalsContact O-N 3.17Å; I254-L257 WeakPolarHBondContact O-CA 3.23Å; I254-L257 WeakPolarHBondContact O-CB 3.43Å; I254-L257 PolarHBondContact O-N 2.96Å; I254-E258 HydrophobicContact CG2-CG 4.28Å; I254-E258 WeakPolarHBondContact O-CG 3.42Å; I254-E258 PolarHBondContact O-N 2.78Å
255A96.8Very high96.2Very high50 Ų5057 Ų5741%0.41328%0.278SS..Hα-helixtrans-60.5-28.8-178.600000112.8N251 E252 K259N251-A255 PolarHBondContact O-N 3.27Å; E252-A255 PolarHBondContact O-N 3.37Å; A255-K259 WeakPolarHBondContact O-CG 3.2Å
256E95.8Very high96.1Very high56 Ų5657.1 Ų57.126%0.26228%0.282SS..Hα-helixtrans-81.8-28.1174.8-175.561.9-158.300113.1M1 F247 E252 A253 I254 K259M1-E256 HydrophobicContact CB-CG 3.55Å; M1-E256 PolarHBondContact N-OE1 2.62Å; F247-E256 HydrophobicContact CE1-CB 3.96Å; F247-E256 HydrophobicContact CE1-CG 4.06Å; F247-E256 HydrophobicContact CZ-CB 4.09Å; F247-E256 HydrophobicContact CZ-CG 4Å; E252-E256 PolarHBondContact O-N 2.61Å; E252-E256 VanDerWaalsContact O-N 3.09Å; A253-E256 PolarHBondContact O-N 2.78Å; I254-E256 PolarHBondContact O-N 2.88Å; I254-E256 VanDerWaalsContact O-N 3.17Å; E256-K259 WeakPolarHBondContact OE2-CD 3.36Å; E256-K259 WeakPolarHBondContact OE2-CE 3.06Å; E256-K259 IonicContact OE2-NZ 2.68Å; E256-K259 PolarHBondContact OE2-NZ 2.6Å
257L93.8Very high96Very high2 Ų258.7 Ų58.71%0.0129%0.285CS..Hα-helixtrans-73.9-24.1172.7-78.9172000113.3M1 Q3 Y7 F28 Y31 A253 I254M1-L257 HydrophobicContact CE-CD1 4.16Å; M1-L257 HydrophobicContact CE-CD2 3.45Å; M1-L257 VanDerWaalsContact CE-CD2 3.45Å; M1-L257 HydrophobicContact CE-CG 3.86Å; M1-L257 HydrophobicContact SD-CD2 4.14Å; M1-L257 HydrophobicContact SD-CG 4.17Å; Q3-L257 PolarHBondContact NE2-O 2.77Å; Y7-L257 WeakPolarHBondContact OH-CD2 3.22Å; F28-L257 HydrophobicContact CE2-CD1 3.97Å; Y31-L257 HydrophobicContact CE1-CB 4.4Å; Y31-L257 HydrophobicContact CE1-CD1 4.08Å; A253-L257 WeakPolarHBondContact O-CG 3.46Å; A253-L257 PolarHBondContact O-N 3.08Å; I254-L257 WeakPolarHBondContact O-CA 3.23Å; I254-L257 WeakPolarHBondContact O-CB 3.43Å; I254-L257 PolarHBondContact O-N 2.96Å
258E92.4Very high95.8Very high130 Ų13061.6 Ų61.661%0.60730%0.3SS*.  trans-86.8-8179.6-70.7-174.4150.200114.4Y31 I254Y31-E258 HydrophobicContact CE2-CG 3.79Å; I254-E258 HydrophobicContact CG2-CG 4.28Å; I254-E258 WeakPolarHBondContact O-CG 3.42Å; I254-E258 PolarHBondContact O-N 2.78Å
259K89.4Confident95.7Very high196 Ų19656 Ų5685%0.85228%0.278SS*.  trans-78.10175.8-69.7173-168168.80112.4A255 E256A255-K259 WeakPolarHBondContact O-CG 3.2Å; E256-K259 WeakPolarHBondContact OE2-CD 3.36Å; E256-K259 WeakPolarHBondContact OE2-CE 3.06Å; E256-K259 IonicContact OE2-NZ 2.68Å; E256-K259 PolarHBondContact OE2-NZ 2.6Å

Retrieved 259 of 259 residues in 689.7 ms (Link to these results)

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