A0A087XZC6_POEFO Loading...

Palmitoyltransferase

AlphaFold DB , UniProt , Accession A0A087XZC6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 757 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
1M34.9Very low56.6Low229 Ų229139 Ų139100%1.12875%0.753SS**  0135.80-66-179.1179.600107.9N3M1-N3 PolarHBondContact O-N 2.62Å
2P43.2Very low59.4Low126 Ų126135.8 Ų135.882%0.81874%0.742SS**  trans-71.4126.4174.429-32.7000110S4P2-S4 PolarHBondContact O-N 2.99Å
3N40.9Very low61.6Low164 Ų164132.2 Ų132.288%0.87772%0.715SS**  trans-69.998.7174-84.3-21.3000109.4M1 A5M1-N3 PolarHBondContact O-N 2.62Å; N3-A5 VanDerWaalsContact C-N 3.29Å; N3-A5 PolarHBondContact O-N 3.07Å
4S44.3Very low63.8Low106 Ų106130.4 Ų130.474%0.74169%0.694SS**  trans-65.991.1169-173.60000108.9P2 G6P2-S4 PolarHBondContact O-N 2.99Å; S4-G6 PolarHBondContact O-N 2.84Å
5A45.5Very low65.9Low87 Ų87128.1 Ų128.172%0.71968%0.68SS**  trans-53.5110.4174.400000108.3N3 K7N3-A5 VanDerWaalsContact C-N 3.29Å; N3-A5 PolarHBondContact O-N 3.07Å; A5-K7 PolarHBondContact O-N 3.48Å
6G47.9Very low67.8Low69 Ų69122.2 Ų122.271%0.71165%0.651SS**  trans-52.6113.6-162.900000111.3S4 R8S4-G6 PolarHBondContact O-N 2.84Å; G6-R8 VanDerWaalsContact C-N 3.33Å; G6-R8 PolarHBondContact O-N 3.02Å
7K62.3Low69.5Low168 Ų168115.9 Ų115.973%0.7362%0.619SS**  trans-58.194.7-176.1-73.4-172.4175.3-174.20108.9A5 F9 D124A5-K7 PolarHBondContact O-N 3.48Å; K7-F9 PolarHBondContact O-N 3.47Å; K7-F9 VanDerWaalsContact O-N 3.16Å; K7-D124 IonicContact NZ-OD2 2.85Å; K7-D124 PolarHBondContact NZ-OD2 3.17Å
8R64.8Low71Confident226 Ų226113.2 Ų113.285%0.85361%0.61SS**  trans-44.4119.8-170.9-171.2179.3-170.6179.24.3109.5G6 K10G6-R8 VanDerWaalsContact C-N 3.33Å; G6-R8 PolarHBondContact O-N 3.02Å; R8-K10 WeakPolarHBondContact O-CG 3.23Å; R8-K10 PolarHBondContact O-N 3.22Å
9F72.8Confident72.3Confident139 Ų139110.4 Ų110.461%0.6160%0.597SS**  trans-53.6127.2-175.3-174.8-105.4000109.7K7 P11 Y14K7-F9 PolarHBondContact O-N 3.47Å; K7-F9 VanDerWaalsContact O-N 3.16Å; F9-P11 HydrophobicContact CD1-CG 3.78Å; F9-P11 HydrophobicContact CE1-CB 4.06Å; F9-P11 HydrophobicContact CE1-CG 3.74Å; F9-P11 WeakPolarHBondContact O-CD 3Å; F9-Y14 HydrophobicContact CD2-CE2 4.12Å; F9-Y14 AromaticContact CE2-CD2 3.84Å; F9-Y14 HydrophobicContact CE2-CD2 3.84Å; F9-Y14 AromaticContact CE2-CE2 3.36Å; F9-Y14 HydrophobicContact CE2-CE2 3.36Å; F9-Y14 AromaticContact CE2-CZ 3.94Å; F9-Y14 AromaticContact CZ-CD2 3.76Å; F9-Y14 HydrophobicContact CZ-CD2 3.76Å; F9-Y14 AromaticContact CZ-CE2 3.81Å; F9-Y14 HydrophobicContact CZ-CE2 3.81Å
10K81.9Confident73.5Confident138 Ų138106 Ų10660%0.658%0.577SS**  trans-112.592.2178.2-67-170.1-179.9-175.80108R8 T12 K13R8-K10 WeakPolarHBondContact O-CG 3.23Å; R8-K10 PolarHBondContact O-N 3.22Å; K10-T12 PolarHBondContact O-N 3.16Å; K10-T12 VanDerWaalsContact O-N 3.07Å; K10-K13 HydrophobicContact CB-CG 4.46Å; K10-K13 PolarHBondContact O-N 3.04Å
11P84.7Confident74.7Confident77 Ų77102.5 Ų102.550%0.556%0.562SS.*G310 helixtrans-52.7-33.6-178.8-24.130.5000112.6F9 K13 Y14 I15F9-P11 HydrophobicContact CD1-CG 3.78Å; F9-P11 HydrophobicContact CE1-CB 4.06Å; F9-P11 HydrophobicContact CE1-CG 3.74Å; F9-P11 WeakPolarHBondContact O-CD 3Å; P11-K13 PolarHBondContact O-N 3.19Å; P11-K13 VanDerWaalsContact O-N 3.11Å; P11-Y14 PolarHBondContact O-N 3.29Å; P11-I15 PolarHBondContact O-N 3.11Å
12T89.3Confident77.7Confident100 Ų10096.3 Ų96.361%0.61354%0.537SS*.G310 helixtrans-55.2-26.2177.952.30000114.9K10 Y14 I15K10-T12 PolarHBondContact O-N 3.16Å; K10-T12 VanDerWaalsContact O-N 3.07Å; T12-Y14 VanDerWaalsContact C-N 3.32Å; T12-I15 HydrophobicContact CG2-CD1 4.36Å
13K87.8Confident80.2Confident90 Ų9093 Ų9339%0.39151%0.512SS..G310 helixtrans-69.6-29.2172.6-76.1-162.4165.4-158.60113.1K10 P11 V122 N138K10-K13 HydrophobicContact CB-CG 4.46Å; K10-K13 PolarHBondContact O-N 3.04Å; P11-K13 PolarHBondContact O-N 3.19Å; P11-K13 VanDerWaalsContact O-N 3.11Å; K13-V122 PolarHBondContact NZ-O 3.22Å; K13-N138 PolarHBondContact O-OD1 2.91Å
14Y92.8Very high82.9Confident107 Ų10785.9 Ų85.942%0.4247%0.474SS..THydrogen-bonded Turntrans-91.1-19.2-174.7-63.1-88.9000112.9F9 P11 T12 V17 S18 N138F9-Y14 HydrophobicContact CD2-CE2 4.12Å; F9-Y14 AromaticContact CE2-CD2 3.84Å; F9-Y14 HydrophobicContact CE2-CD2 3.84Å; F9-Y14 AromaticContact CE2-CE2 3.36Å; F9-Y14 HydrophobicContact CE2-CE2 3.36Å; F9-Y14 AromaticContact CE2-CZ 3.94Å; F9-Y14 AromaticContact CZ-CD2 3.76Å; F9-Y14 HydrophobicContact CZ-CD2 3.76Å; F9-Y14 AromaticContact CZ-CE2 3.81Å; F9-Y14 HydrophobicContact CZ-CE2 3.81Å; P11-Y14 PolarHBondContact O-N 3.29Å; T12-Y14 VanDerWaalsContact C-N 3.32Å; Y14-V17 WeakPolarHBondContact O-CG1 3.38Å; Y14-V17 PolarHBondContact O-N 2.93Å; Y14-S18 WeakPolarHBondContact O-CB 3.47Å; Y14-S18 PolarHBondContact O-N 3.47Å; Y14-S18 PolarHBondContact O-OG 2.56Å; Y14-N138 WeakPolarHBondContact CD1-ND2 3.28Å; Y14-N138 VanDerWaalsContact CE1-ND2 3.32Å; Y14-N138 WeakPolarHBondContact CE1-ND2 3.42Å
15I95.1Very high85.5Confident96 Ų9683.4 Ų83.449%0.49246%0.455SS..Hα-helixtrans-49.9-51.5-179.1-61.3176.4000112.4P11 T12 V17 S18 T19P11-I15 PolarHBondContact O-N 3.11Å; T12-I15 HydrophobicContact CG2-CD1 4.36Å; I15-V17 PolarHBondContact O-N 2.62Å; I15-S18 PolarHBondContact O-N 3.25Å; I15-T19 WeakPolarHBondContact O-CB 2.99Å; I15-T19 PolarHBondContact O-N 2.72Å; I15-T19 PolarHBondContact O-OG1 3.4Å; I15-T19 VanDerWaalsContact O-OG1 3.07Å
16P96.4Very high88Confident33 Ų3380.7 Ų80.721%0.21444%0.435CS..Hα-helixtrans-66.5-40.3-174.4-19.233.2000113.2T19 A20 P135 W136P16-T19 PolarHBondContact O-N 2.99Å; P16-A20 WeakPolarHBondContact O-CB 3.27Å; P16-A20 PolarHBondContact O-N 2.96Å; P16-P135 HydrophobicContact CB-CB 4.1Å; P16-P135 HydrophobicContact CG-CB 4.14Å; P16-W136 HydrophobicContact CB-CE3 3.99Å; P16-W136 HydrophobicContact CB-CZ3 4.29Å
17V96.3Very high90.3Very high16 Ų1678.6 Ų78.610%0.09741%0.409CS..Hα-helixtrans-70.9-36.5176.961.20000112.1Y14 I15 A20 A21 F62 T66 W136 N138Y14-V17 WeakPolarHBondContact O-CG1 3.38Å; Y14-V17 PolarHBondContact O-N 2.93Å; I15-V17 PolarHBondContact O-N 2.62Å; V17-A20 PolarHBondContact O-N 2.86Å; V17-A21 WeakPolarHBondContact O-CB 3.17Å; V17-A21 PolarHBondContact O-N 3.28Å; V17-F62 HydrophobicContact CG2-CZ 3.95Å; V17-T66 HydrophobicContact CG2-CG2 4.08Å; V17-W136 WeakPolarHBondContact CA-O 3.4Å; V17-W136 WeakPolarHBondContact CB-O 3.38Å; V17-W136 WeakPolarHBondContact CG2-O 3.03Å; V17-N138 HydrophobicContact CB-CB 4.07Å; V17-N138 HydrophobicContact CG1-CB 3.63Å
18S96.7Very high92Very high66 Ų6670.7 Ų70.746%0.46238%0.375SS..Hα-helixtrans-66.8-38.9173.1-66.70000112.2Y14 I15 T22Y14-S18 WeakPolarHBondContact O-CB 3.47Å; Y14-S18 PolarHBondContact O-N 3.47Å; Y14-S18 PolarHBondContact O-OG 2.56Å; I15-S18 PolarHBondContact O-N 3.25Å; S18-T22 VanDerWaalsContact O-CB 3.26Å; S18-T22 WeakPolarHBondContact O-CB 3.35Å; S18-T22 PolarHBondContact O-N 3.28Å; S18-T22 PolarHBondContact O-OG1 3.11Å
19T96.4Very high93.6Very high61 Ų6163.2 Ų63.237%0.37436%0.355SS..Hα-helixtrans-65.9-45.7172.9-63.90000111I15 P16 A21 T22 L23I15-T19 WeakPolarHBondContact O-CB 2.99Å; I15-T19 PolarHBondContact O-N 2.72Å; I15-T19 PolarHBondContact O-OG1 3.4Å; I15-T19 VanDerWaalsContact O-OG1 3.07Å; P16-T19 PolarHBondContact O-N 2.99Å; T19-A21 PolarHBondContact O-N 2.85Å; T19-T22 PolarHBondContact O-N 3Å; T19-L23 HydrophobicContact CG2-CD1 3.79Å; T19-L23 HydrophobicContact CG2-CG 4.31Å; T19-L23 WeakPolarHBondContact O-CB 3.29Å; T19-L23 VanDerWaalsContact O-CG 3.31Å; T19-L23 WeakPolarHBondContact O-CG 3.07Å; T19-L23 PolarHBondContact O-N 2.94Å
20A96.6Very high94.8Very high22 Ų2259.7 Ų59.718%0.18234%0.342CS..Hα-helixtrans-59.5-46.8176.300000112.2P16 V17 L23 L24 F62 W136P16-A20 WeakPolarHBondContact O-CB 3.27Å; P16-A20 PolarHBondContact O-N 2.96Å; V17-A20 PolarHBondContact O-N 2.86Å; A20-L23 PolarHBondContact O-N 3.38Å; A20-L24 WeakPolarHBondContact O-CB 3.44Å; A20-L24 PolarHBondContact O-N 3.48Å; A20-F62 HydrophobicContact CB-CE2 4.29Å; A20-F62 HydrophobicContact CB-CZ 4.33Å; A20-W136 HydrophobicContact CB-CE3 4.15Å
21A97.7Very high95.6Very high32 Ų3253.1 Ų53.126%0.26431%0.313SS..Hα-helixtrans-62.9-45176.800000112.1V17 T19 L24 V25 F62V17-A21 WeakPolarHBondContact O-CB 3.17Å; V17-A21 PolarHBondContact O-N 3.28Å; T19-A21 PolarHBondContact O-N 2.85Å; A21-L24 PolarHBondContact O-N 3.2Å; A21-V25 WeakPolarHBondContact O-CB 3.31Å; A21-V25 WeakPolarHBondContact O-CG2 3.49Å; A21-V25 PolarHBondContact O-N 2.86Å; A21-F62 HydrophobicContact CB-CE1 3.97Å; A21-F62 HydrophobicContact CB-CZ 4.19Å
22T97.6Very high96.2Very high99 Ų9952.3 Ų52.361%0.60730%0.302SS*.Hα-helixtrans-62.9-42.9178-58.20000111.9S18 T19 G26S18-T22 VanDerWaalsContact O-CB 3.26Å; S18-T22 WeakPolarHBondContact O-CB 3.35Å; S18-T22 PolarHBondContact O-N 3.28Å; S18-T22 PolarHBondContact O-OG1 3.11Å; T19-T22 PolarHBondContact O-N 3Å; T22-G26 VanDerWaalsContact O-CA 3.29Å; T22-G26 WeakPolarHBondContact O-CA 3.38Å; T22-G26 PolarHBondContact O-N 3.14Å
23L96.8Very high96.6Very high57 Ų5751.4 Ų51.430%0.29830%0.296SS..Hα-helixtrans-67-47.8176.7-72.4171.3000111.5T19 A20 S27 I192 F196T19-L23 HydrophobicContact CG2-CD1 3.79Å; T19-L23 HydrophobicContact CG2-CG 4.31Å; T19-L23 WeakPolarHBondContact O-CB 3.29Å; T19-L23 VanDerWaalsContact O-CG 3.31Å; T19-L23 WeakPolarHBondContact O-CG 3.07Å; T19-L23 PolarHBondContact O-N 2.94Å; A20-L23 PolarHBondContact O-N 3.38Å; L23-S27 WeakPolarHBondContact O-CB 3.29Å; L23-S27 PolarHBondContact O-N 2.91Å; L23-S27 PolarHBondContact O-OG 3.41Å; L23-I192 HydrophobicContact CD2-CG2 4.18Å; L23-F196 HydrophobicContact CD1-CE2 3.74Å; L23-F196 HydrophobicContact CD1-CZ 3.82Å
24L97.5Very high97.1Very high15 Ų1549 Ų498%0.07929%0.285CS..Hα-helixtrans-60.2-53.9-180171.259.2000111.9A20 A21 T28 F55 V58 F62 L156A20-L24 WeakPolarHBondContact O-CB 3.44Å; A20-L24 PolarHBondContact O-N 3.48Å; A21-L24 PolarHBondContact O-N 3.2Å; L24-T28 VanDerWaalsContact O-CB 3.28Å; L24-T28 WeakPolarHBondContact O-CB 3.33Å; L24-T28 PolarHBondContact O-N 2.82Å; L24-T28 PolarHBondContact O-OG1 3.27Å; L24-F55 HydrophobicContact CD1-CD2 4.36Å; L24-F55 HydrophobicContact CD1-CE2 4.18Å; L24-F55 HydrophobicContact CG-CE2 4.22Å; L24-V58 HydrophobicContact CD1-CG1 3.85Å; L24-V58 HydrophobicContact CD2-CG1 3.98Å; L24-F62 HydrophobicContact CD2-CB 4.45Å; L24-F62 HydrophobicContact CD2-CD1 4.46Å; L24-F62 HydrophobicContact CD2-CG 4.31Å; L24-L156 HydrophobicContact CD1-CD1 3.95Å
25V98.2Very high97.2Very high54 Ų5443.9 Ų43.933%0.32727%0.266SS..Hα-helixtrans-71.4-49.8-178.3179.20000110.1A21 T28 T29 F55 L59A21-V25 WeakPolarHBondContact O-CB 3.31Å; A21-V25 WeakPolarHBondContact O-CG2 3.49Å; A21-V25 PolarHBondContact O-N 2.86Å; V25-T28 PolarHBondContact O-N 3.32Å; V25-T29 WeakPolarHBondContact O-CB 3.42Å; V25-T29 PolarHBondContact O-N 3.27Å; V25-T29 PolarHBondContact O-OG1 3.47Å; V25-T29 VanDerWaalsContact O-OG1 3.05Å; V25-F55 HydrophobicContact CG1-CZ 4.49Å; V25-F55 HydrophobicContact CG2-CZ 4.27Å; V25-L59 HydrophobicContact CG2-CD1 4.23Å
26G98.1Very high97.3Very high29 Ų2939.6 Ų39.630%0.29924%0.244SC..Hα-helixtrans-61.6-49.6-175.600000113.7T22 T28 T29 L30T22-G26 VanDerWaalsContact O-CA 3.29Å; T22-G26 WeakPolarHBondContact O-CA 3.38Å; T22-G26 PolarHBondContact O-N 3.14Å; G26-T28 VanDerWaalsContact C-N 3.3Å; G26-T28 PolarHBondContact O-N 3.38Å; G26-T29 PolarHBondContact O-N 2.93Å; G26-L30 WeakPolarHBondContact O-CG 3.48Å; G26-L30 PolarHBondContact O-N 3.09Å
27S97.3Very high97.4Very high25 Ų2540.8 Ų40.818%0.17525%0.251CS..Hα-helixtrans-63.4-37.8178.2650000112L23 L30 F31L23-S27 WeakPolarHBondContact O-CB 3.29Å; L23-S27 PolarHBondContact O-N 2.91Å; L23-S27 PolarHBondContact O-OG 3.41Å; S27-L30 PolarHBondContact O-N 3.16Å; S27-F31 PolarHBondContact O-N 2.73Å
28T97.8Very high97.4Very high2 Ų242 Ų421%0.01225%0.254CS..Hα-helixtrans-69.6-42.4176.9-54.30000111.8L24 V25 G26 L30 F31 F32 F55 H159L24-T28 VanDerWaalsContact O-CB 3.28Å; L24-T28 WeakPolarHBondContact O-CB 3.33Å; L24-T28 PolarHBondContact O-N 2.82Å; L24-T28 PolarHBondContact O-OG1 3.27Å; V25-T28 PolarHBondContact O-N 3.32Å; G26-T28 VanDerWaalsContact C-N 3.3Å; G26-T28 PolarHBondContact O-N 3.38Å; T28-L30 VanDerWaalsContact C-N 3.33Å; T28-L30 PolarHBondContact O-N 3.23Å; T28-F31 WeakPolarHBondContact O-CB 3.46Å; T28-F31 PolarHBondContact O-N 2.84Å; T28-F32 HydrophobicContact CG2-CD2 3.62Å; T28-F32 HydrophobicContact CG2-CE2 3.51Å; T28-F32 VanDerWaalsContact O-CD2 3.24Å; T28-F32 WeakPolarHBondContact O-CD2 3.31Å; T28-F32 PolarHBondContact O-N 2.89Å; T28-F55 HydrophobicContact CG2-CB 4.08Å; T28-F55 HydrophobicContact CG2-CD1 4.03Å; T28-F55 HydrophobicContact CG2-CD2 3.46Å; T28-F55 VanDerWaalsContact CG2-CD2 3.46Å; T28-F55 HydrophobicContact CG2-CE1 4.33Å; T28-F55 HydrophobicContact CG2-CE2 3.8Å; T28-F55 HydrophobicContact CG2-CG 3.57Å; T28-F55 HydrophobicContact CG2-CZ 4.22Å; T28-H159 WeakPolarHBondContact CG2-NE2 3.49Å; T28-H159 PolarHBondContact OG1-NE2 3.34Å
29T98.3Very high97.4Very high70 Ų7038.9 Ų38.943%0.42923%0.232SC..Hα-helixtrans-60.7-41.5173.9-62.70000111.4V25 G26 F32 V33V25-T29 WeakPolarHBondContact O-CB 3.42Å; V25-T29 PolarHBondContact O-N 3.27Å; V25-T29 PolarHBondContact O-OG1 3.47Å; V25-T29 VanDerWaalsContact O-OG1 3.05Å; G26-T29 PolarHBondContact O-N 2.93Å; T29-F32 PolarHBondContact O-N 3.19Å; T29-V33 HydrophobicContact CG2-CG2 4.28Å; T29-V33 WeakPolarHBondContact O-CB 3.24Å; T29-V33 WeakPolarHBondContact O-CG2 3.33Å; T29-V33 PolarHBondContact O-N 3.28Å
30L98.2Very high97.4Very high64 Ų6440.7 Ų40.734%0.33524%0.238SC..Hα-helixtrans-62.4-43.1174.9-70173.4000111.9G26 S27 T28 F32 V33 F34 V185 V189G26-L30 WeakPolarHBondContact O-CG 3.48Å; G26-L30 PolarHBondContact O-N 3.09Å; S27-L30 PolarHBondContact O-N 3.16Å; T28-L30 VanDerWaalsContact C-N 3.33Å; T28-L30 PolarHBondContact O-N 3.23Å; L30-F32 VanDerWaalsContact C-N 3.35Å; L30-F32 PolarHBondContact O-N 2.91Å; L30-V33 PolarHBondContact O-N 3.45Å; L30-F34 HydrophobicContact CD2-CD2 4.06Å; L30-F34 HydrophobicContact CD2-CE2 3.76Å; L30-F34 WeakPolarHBondContact O-CB 3.29Å; L30-F34 WeakPolarHBondContact O-CD2 3.34Å; L30-F34 PolarHBondContact O-N 3.43Å; L30-V185 HydrophobicContact CB-CG1 4.01Å; L30-V185 HydrophobicContact CD1-CG1 4.42Å; L30-V185 HydrophobicContact CD2-CG1 4.08Å; L30-V185 HydrophobicContact CG-CG1 4.39Å; L30-V189 HydrophobicContact CB-CG2 3.64Å; L30-V189 HydrophobicContact CD1-CG2 4.19Å
31F98Very high97.4Very high1 Ų148.3 Ų48.30%0.00427%0.267CS..Iπ-helixtrans-58.9-43.5172.5178.6-103.5000112.2S27 T28 T35 C36 L39 N51 V163 F166 V189S27-F31 PolarHBondContact O-N 2.73Å; T28-F31 WeakPolarHBondContact O-CB 3.46Å; T28-F31 PolarHBondContact O-N 2.84Å; F31-T35 HydrophobicContact CD2-CG2 4.03Å; F31-T35 HydrophobicContact CE2-CG2 3.81Å; F31-T35 WeakPolarHBondContact O-CA 3.39Å; F31-T35 VanDerWaalsContact O-CB 3.29Å; F31-T35 WeakPolarHBondContact O-CB 3.31Å; F31-T35 PolarHBondContact O-N 3.17Å; F31-T35 PolarHBondContact O-OG1 2.77Å; F31-C36 WeakPolarHBondContact CE1-SG 3.44Å; F31-C36 PolarHBondContact O-N 3.2Å; F31-L39 HydrophobicContact CE2-CD1 4.14Å; F31-L39 HydrophobicContact CZ-CD1 3.73Å; F31-N51 HydrophobicContact CE1-CB 4.32Å; F31-V163 HydrophobicContact CB-CG1 4.43Å; F31-V163 HydrophobicContact CD1-CG2 4.08Å; F31-V163 HydrophobicContact CD2-CG1 3.95Å; F31-V163 HydrophobicContact CE1-CG2 4.25Å; F31-V163 HydrophobicContact CE2-CG1 4.38Å; F31-V163 HydrophobicContact CG-CG1 4.15Å; F31-V163 HydrophobicContact CG-CG2 4.26Å; F31-F166 HydrophobicContact CE2-CB 4.16Å; F31-F166 HydrophobicContact CZ-CB 3.83Å; F31-V189 HydrophobicContact CB-CG1 4.32Å
32F98Very high97.3Very high60 Ų6050.8 Ų50.826%0.26328%0.278SS..Iπ-helixtrans-67.9-33.1177.6-85.7-67.7000114.5T28 T29 L30 C36 P37 P48 N51T28-F32 HydrophobicContact CG2-CD2 3.62Å; T28-F32 HydrophobicContact CG2-CE2 3.51Å; T28-F32 VanDerWaalsContact O-CD2 3.24Å; T28-F32 WeakPolarHBondContact O-CD2 3.31Å; T28-F32 PolarHBondContact O-N 2.89Å; T29-F32 PolarHBondContact O-N 3.19Å; L30-F32 VanDerWaalsContact C-N 3.35Å; L30-F32 PolarHBondContact O-N 2.91Å; F32-C36 HydrophobicContact CD1-CB 3.95Å; F32-C36 WeakPolarHBondContact CD1-SG 3.48Å; F32-P37 WeakPolarHBondContact O-CD 3.3Å; F32-P48 HydrophobicContact CE1-CB 4.17Å; F32-P48 WeakPolarHBondContact CE1-O 3.48Å; F32-N51 HydrophobicContact CZ-CB 3.98Å
33V98Very high97.2Very high80 Ų8049.7 Ų49.749%0.48527%0.268SS..Iπ-helixtrans-82-41.6179.4172.20000111.9T29 L30 P37T29-V33 HydrophobicContact CG2-CG2 4.28Å; T29-V33 WeakPolarHBondContact O-CB 3.24Å; T29-V33 WeakPolarHBondContact O-CG2 3.33Å; T29-V33 PolarHBondContact O-N 3.28Å; L30-V33 PolarHBondContact O-N 3.45Å; V33-P37 VanDerWaalsContact O-CG 3.32Å; V33-P37 WeakPolarHBondContact O-CG 3.39Å
34F96.9Very high97.2Very high40 Ų4048.9 Ų48.918%0.17527%0.267CS..Iπ-helixtrans-101-35.3-170.8-67.7-81.7000114.1L30 L181 H182 V185L30-F34 HydrophobicContact CD2-CD2 4.06Å; L30-F34 HydrophobicContact CD2-CE2 3.76Å; L30-F34 WeakPolarHBondContact O-CB 3.29Å; L30-F34 WeakPolarHBondContact O-CD2 3.34Å; L30-F34 PolarHBondContact O-N 3.43Å; F34-L181 HydrophobicContact CE1-CD2 3.87Å; F34-L181 HydrophobicContact CE1-CG 4.04Å; F34-H182 AromaticContact CD1-CE1 3.88Å; F34-H182 AromaticContact CD1-CG 3.95Å; F34-H182 AromaticContact CD1-ND1 3.8Å; F34-H182 PolarHBondContact O-ND1 2.66Å; F34-V185 HydrophobicContact CB-CB 4.36Å; F34-V185 HydrophobicContact CB-CG1 4.15Å; F34-V185 HydrophobicContact CD2-CB 4.23Å; F34-V185 HydrophobicContact CD2-CG1 3.55Å; F34-V185 HydrophobicContact CE2-CG1 4.11Å; F34-V185 HydrophobicContact CG-CB 4.1Å; F34-V185 HydrophobicContact CG-CG1 3.86Å
35T96.4Very high97.1Very high0 Ų052.1 Ų52.10%029%0.289CS..Iπ-helixtrans-98.4-46.4-174.5-35.20000112F31 P37 W38 L39 F170 T186F31-T35 HydrophobicContact CD2-CG2 4.03Å; F31-T35 HydrophobicContact CE2-CG2 3.81Å; F31-T35 WeakPolarHBondContact O-CA 3.39Å; F31-T35 VanDerWaalsContact O-CB 3.29Å; F31-T35 WeakPolarHBondContact O-CB 3.31Å; F31-T35 PolarHBondContact O-N 3.17Å; F31-T35 PolarHBondContact O-OG1 2.77Å; T35-P37 VanDerWaalsContact C-CD 3.45Å; T35-W38 PolarHBondContact O-N 3.42Å; T35-L39 HydrophobicContact CG2-CD1 3.93Å; T35-L39 HydrophobicContact CG2-CG 4.36Å; T35-L39 PolarHBondContact O-N 3.15Å; T35-F170 HydrophobicContact CG2-CB 3.57Å; T35-F170 HydrophobicContact CG2-CD1 4.37Å; T35-F170 HydrophobicContact CG2-CD2 3.83Å; T35-F170 HydrophobicContact CG2-CG 3.66Å; T35-T186 HydrophobicContact CG2-CG2 3.82Å; T35-T186 PolarHBondContact OG1-OG1 2.72Å
36C96.8Very high97Very high5 Ų552.2 Ų52.23%0.03430%0.295CS..Hα-helixtrans-61.1-32.1-175.4-70.30000116.9F31 F32 W38 L39 M40 P48F31-C36 WeakPolarHBondContact CE1-SG 3.44Å; F31-C36 PolarHBondContact O-N 3.2Å; F32-C36 HydrophobicContact CD1-CB 3.95Å; F32-C36 WeakPolarHBondContact CD1-SG 3.48Å; C36-W38 PolarHBondContact O-N 3.01Å; C36-L39 PolarHBondContact O-N 3.47Å; C36-M40 VanDerWaalsContact O-CB 3.31Å; C36-M40 WeakPolarHBondContact O-CB 3.39Å; C36-M40 PolarHBondContact O-N 3.08Å; C36-P48 HydrophobicContact CB-CB 4.08Å; C36-P48 HydrophobicContact CB-CG 3.91Å
37P97.1Very high96.9Very high58 Ų5851.7 Ų51.738%0.37729%0.287SS..Hα-helixtrans-65.2-24.9178.9-24.135.9000113.7F32 V33 T35 K41F32-P37 WeakPolarHBondContact O-CD 3.3Å; V33-P37 VanDerWaalsContact O-CG 3.32Å; V33-P37 WeakPolarHBondContact O-CG 3.39Å; T35-P37 VanDerWaalsContact C-CD 3.45Å; P37-K41 WeakPolarHBondContact O-CG 3.17Å
38W96.9Very high96.9Very high42 Ų4250.9 Ų50.916%0.15928%0.281CS..Hα-helixtrans-81.9-47171178.891.6000111.2T35 C36 M40 K41 V42 I43 I169 F170 H173 H174T35-W38 PolarHBondContact O-N 3.42Å; C36-W38 PolarHBondContact O-N 3.01Å; W38-M40 PolarHBondContact O-N 2.8Å; W38-K41 PolarHBondContact O-N 2.81Å; W38-V42 HydrophobicContact CD2-CB 4.23Å; W38-V42 HydrophobicContact CD2-CG2 4.32Å; W38-V42 HydrophobicContact CG-CG2 4.3Å; W38-V42 HydrophobicContact CH2-CG1 4.23Å; W38-V42 HydrophobicContact CZ2-CB 3.95Å; W38-V42 HydrophobicContact CZ2-CG1 3.61Å; W38-V42 HydrophobicContact CZ2-CG2 4.39Å; W38-V42 PolarHBondContact O-N 3.16Å; W38-I43 HydrophobicContact CH2-CD1 4.28Å; W38-I43 HydrophobicContact CH2-CG1 4.33Å; W38-I43 HydrophobicContact CZ3-CD1 3.88Å; W38-I43 HydrophobicContact CZ3-CG1 4.11Å; W38-I169 HydrophobicContact CH2-CG2 4.42Å; W38-I169 HydrophobicContact CZ3-CG2 4.38Å; W38-F170 HydrophobicContact CB-CD2 3.91Å; W38-F170 HydrophobicContact CB-CE2 3.62Å; W38-F170 AromaticContact CD2-CD2 3.79Å; W38-F170 HydrophobicContact CD2-CD2 3.79Å; W38-F170 HydrophobicContact CD2-CE2 4.14Å; W38-F170 HydrophobicContact CE3-CB 4.36Å; W38-F170 AromaticContact CE3-CD2 3.6Å; W38-F170 HydrophobicContact CE3-CD2 3.6Å; W38-F170 HydrophobicContact CE3-CE2 4.39Å; W38-F170 HydrophobicContact CE3-CG 4.42Å; W38-F170 AromaticContact CG-CD2 3.93Å; W38-F170 HydrophobicContact CG-CD2 3.93Å; W38-F170 AromaticContact CG-CE2 3.81Å; W38-F170 HydrophobicContact CG-CE2 3.81Å; W38-F170 HydrophobicContact CZ3-CB 4.38Å; W38-F170 HydrophobicContact CZ3-CD2 4.37Å; W38-H173 AromaticContact CE2-CD2 3.81Å; W38-H173 HydrophobicContact CH2-CB 3.91Å; W38-H173 AromaticContact CH2-CG 3.95Å; W38-H173 HydrophobicContact CZ2-CB 3.8Å; W38-H173 AromaticContact CZ2-CD2 3.37Å; W38-H173 WeakPolarHBondContact CZ2-CD2 3.31Å; W38-H173 AromaticContact CZ2-CE1 3.96Å; W38-H173 AromaticContact CZ2-CG 3.38Å; W38-H173 AromaticContact CZ2-ND1 3.77Å; W38-H173 AromaticContact CZ2-NE2 3.72Å; W38-H173 AromaticContact NE1-CD2 3.81Å; W38-H173 AromaticContact NE1-NE2 3.97Å; W38-H174 AromaticContact CD1-CE1 3.61Å; W38-H174 AromaticContact CD1-NE2 3.84Å; W38-H174 AromaticContact CD2-CE1 3.92Å; W38-H174 AromaticContact CE2-CE1 3.66Å; W38-H174 AromaticContact CG-CE1 3.93Å; W38-H174 AromaticContact NE1-CE1 3.41Å; W38-H174 PolarHBondContact NE1-CE1 3.31Å; W38-H174 AromaticContact NE1-NE2 3.73Å
39L96.1Very high96.8Very high0 Ų056.1 Ų56.10%031%0.308CS..Hα-helixtrans-54.7-39.4177.4-64.5168.4000111.9F31 T35 C36 K41 I43 S44 V47 P48 F166F31-L39 HydrophobicContact CE2-CD1 4.14Å; F31-L39 HydrophobicContact CZ-CD1 3.73Å; T35-L39 HydrophobicContact CG2-CD1 3.93Å; T35-L39 HydrophobicContact CG2-CG 4.36Å; T35-L39 PolarHBondContact O-N 3.15Å; C36-L39 PolarHBondContact O-N 3.47Å; L39-K41 PolarHBondContact O-N 3.44Å; L39-I43 HydrophobicContact CD2-CD1 3.66Å; L39-I43 HydrophobicContact CD2-CG1 4.4Å; L39-I43 WeakPolarHBondContact O-CA 3.46Å; L39-I43 WeakPolarHBondContact O-CB 3.42Å; L39-I43 PolarHBondContact O-N 2.69Å; L39-S44 PolarHBondContact O-N 2.92Å; L39-V47 HydrophobicContact CB-CG1 4.28Å; L39-V47 HydrophobicContact CD1-CG1 4.25Å; L39-P48 HydrophobicContact CB-CG 4.4Å; L39-F166 HydrophobicContact CD1-CB 3.87Å; L39-F166 HydrophobicContact CD2-CB 4.19Å; L39-F166 HydrophobicContact CD2-CD1 4.43Å
40M96.7Very high96.8Very high99 Ų9958.3 Ų58.349%0.48831%0.309SS..Hα-helixtrans-61.4-39.7176.2-175.5171.5-75.500113.4C36 W38 S44 P45 P48C36-M40 VanDerWaalsContact O-CB 3.31Å; C36-M40 WeakPolarHBondContact O-CB 3.39Å; C36-M40 PolarHBondContact O-N 3.08Å; W38-M40 PolarHBondContact O-N 2.8Å; M40-S44 CarbonylContact O-C 3.6Å; M40-P45 HydrophobicContact CG-CB 4.07Å; M40-P48 HydrophobicContact CB-CG 4.1Å; M40-P48 HydrophobicContact CE-CB 4.29Å; M40-P48 HydrophobicContact CE-CG 4.31Å
41K96.8Very high96.7Very high183 Ų18355.3 Ų55.380%0.79629%0.294SS*.Hα-helixtrans-89.9-31.2-172.9-69.9179-179.3-1770113.6P37 W38 L39P37-K41 WeakPolarHBondContact O-CG 3.17Å; W38-K41 PolarHBondContact O-N 2.81Å; L39-K41 PolarHBondContact O-N 3.44Å
42V96Very high96.7Very high83 Ų8356 Ų5650%0.50330%0.301SS..Hα-helixtrans-109.9-27.7-169.9-177.40000113W38W38-V42 HydrophobicContact CD2-CB 4.23Å; W38-V42 HydrophobicContact CD2-CG2 4.32Å; W38-V42 HydrophobicContact CG-CG2 4.3Å; W38-V42 HydrophobicContact CH2-CG1 4.23Å; W38-V42 HydrophobicContact CZ2-CB 3.95Å; W38-V42 HydrophobicContact CZ2-CG1 3.61Å; W38-V42 HydrophobicContact CZ2-CG2 4.39Å; W38-V42 PolarHBondContact O-N 3.16Å
43I95.3Very high96.7Very high76 Ų7658.4 Ų58.439%0.3932%0.316SS..THydrogen-bonded Turntrans-106.7-69.5176.9-54.1-171.2000110.4W38 L39 V47 I169W38-I43 HydrophobicContact CH2-CD1 4.28Å; W38-I43 HydrophobicContact CH2-CG1 4.33Å; W38-I43 HydrophobicContact CZ3-CD1 3.88Å; W38-I43 HydrophobicContact CZ3-CG1 4.11Å; L39-I43 HydrophobicContact CD2-CD1 3.66Å; L39-I43 HydrophobicContact CD2-CG1 4.4Å; L39-I43 WeakPolarHBondContact O-CA 3.46Å; L39-I43 WeakPolarHBondContact O-CB 3.42Å; L39-I43 PolarHBondContact O-N 2.69Å; I43-V47 HydrophobicContact CG2-CG2 4.16Å; I43-I169 HydrophobicContact CD1-CG2 3.76Å
44S96.5Very high96.8Very high41 Ų4155.6 Ų55.629%0.28730%0.299SS..  trans-173.4143.5176.9-178.90000111.3L39 M40 A46 V47 P48L39-S44 PolarHBondContact O-N 2.92Å; M40-S44 CarbonylContact O-C 3.6Å; S44-A46 PolarHBondContact O-N 2.78Å; S44-A46 WeakPolarHBondContact OG-CB 3.19Å; S44-A46 PolarHBondContact OG-N 3.36Å; S44-A46 VanDerWaalsContact OG-N 3.07Å; S44-V47 PolarHBondContact O-N 2.76Å; S44-V47 VanDerWaalsContact O-N 3.14Å; S44-P48 VanDerWaalsContact O-CD 3.23Å; S44-P48 WeakPolarHBondContact O-CD 3.31Å
45P96.5Very high96.8Very high83 Ų8354.9 Ų54.954%0.53930%0.296SS..THydrogen-bonded Turntrans-61-19.8166.827.1-35.5000113.4M40 V47 P48 L49M40-P45 HydrophobicContact CG-CB 4.07Å; P45-V47 VanDerWaalsContact C-N 3.27Å; P45-V47 PolarHBondContact O-N 2.82Å; P45-P48 WeakPolarHBondContact O-CD 3.42Å; P45-L49 PolarHBondContact O-N 3.28Å
46A96.5Very high96.9Very high55 Ų5560 Ų6046%0.45532%0.323SS..Hα-helixtrans-65.8-27.6174.800000112.9S44 L49 Y50S44-A46 PolarHBondContact O-N 2.78Å; S44-A46 WeakPolarHBondContact OG-CB 3.19Å; S44-A46 PolarHBondContact OG-N 3.36Å; S44-A46 VanDerWaalsContact OG-N 3.07Å; A46-L49 PolarHBondContact O-N 2.78Å; A46-Y50 VanDerWaalsContact O-CB 3.3Å; A46-Y50 WeakPolarHBondContact O-CB 3.45Å; A46-Y50 PolarHBondContact O-N 2.91Å
47V95.6Very high97Very high19 Ų1964.6 Ų64.612%0.11534%0.342CS..Hα-helixtrans-68.4-52.6-178.4165.90000111.6L39 I43 S44 P45 L49 Y50 N51 F166L39-V47 HydrophobicContact CB-CG1 4.28Å; L39-V47 HydrophobicContact CD1-CG1 4.25Å; I43-V47 HydrophobicContact CG2-CG2 4.16Å; S44-V47 PolarHBondContact O-N 2.76Å; S44-V47 VanDerWaalsContact O-N 3.14Å; P45-V47 VanDerWaalsContact C-N 3.27Å; P45-V47 PolarHBondContact O-N 2.82Å; V47-L49 VanDerWaalsContact C-N 3.32Å; V47-L49 PolarHBondContact O-N 2.81Å; V47-Y50 PolarHBondContact O-N 3.09Å; V47-N51 PolarHBondContact O-N 3.25Å; V47-N51 VanDerWaalsContact O-N 3.13Å; V47-N51 PolarHBondContact O-ND2 2.86Å; V47-F166 HydrophobicContact CB-CE1 4.39Å; V47-F166 HydrophobicContact CB-CZ 4.45Å; V47-F166 HydrophobicContact CG1-CD1 3.65Å; V47-F166 HydrophobicContact CG1-CD2 3.87Å; V47-F166 HydrophobicContact CG1-CE1 3.62Å; V47-F166 HydrophobicContact CG1-CE2 3.86Å; V47-F166 HydrophobicContact CG1-CG 3.79Å; V47-F166 HydrophobicContact CG1-CZ 3.74Å; V47-F166 HydrophobicContact CG2-CE1 3.81Å; V47-F166 HydrophobicContact CG2-CZ 3.95Å
48P95.7Very high97.1Very high8 Ų861.8 Ų61.85%0.05232%0.324CS..Hα-helixtrans-59.6-38.6170.8-26.636.1000113.4F32 C36 L39 M40 S44 P45 N51 G52F32-P48 HydrophobicContact CE1-CB 4.17Å; F32-P48 WeakPolarHBondContact CE1-O 3.48Å; C36-P48 HydrophobicContact CB-CB 4.08Å; C36-P48 HydrophobicContact CB-CG 3.91Å; L39-P48 HydrophobicContact CB-CG 4.4Å; M40-P48 HydrophobicContact CB-CG 4.1Å; M40-P48 HydrophobicContact CE-CB 4.29Å; M40-P48 HydrophobicContact CE-CG 4.31Å; S44-P48 VanDerWaalsContact O-CD 3.23Å; S44-P48 WeakPolarHBondContact O-CD 3.31Å; P45-P48 WeakPolarHBondContact O-CD 3.42Å; P48-N51 PolarHBondContact O-N 2.83Å; P48-G52 PolarHBondContact O-N 3.03Å
49L97.1Very high97.2Very high112 Ų11262.4 Ų62.459%0.58633%0.33SS*.Hα-helixtrans-61.9-47.3178.7-178.463.5000111.9P45 A46 V47 G52 L53P45-L49 PolarHBondContact O-N 3.28Å; A46-L49 PolarHBondContact O-N 2.78Å; V47-L49 VanDerWaalsContact C-N 3.32Å; V47-L49 PolarHBondContact O-N 2.81Å; L49-G52 PolarHBondContact O-N 3.48Å; L49-L53 HydrophobicContact CD1-CD1 4.43Å; L49-L53 HydrophobicContact CD1-CG 4.5Å; L49-L53 HydrophobicContact CG-CD1 4.27Å; L49-L53 WeakPolarHBondContact O-CG 3.12Å; L49-L53 PolarHBondContact O-N 2.94Å
50Y97.1Very high97.3Very high115 Ų11564.7 Ų64.745%0.45135%0.35SS..Hα-helixtrans-58.5-52.9175.9168.3-99000111.8A46 V47 G52 L53 V54 V158A46-Y50 VanDerWaalsContact O-CB 3.3Å; A46-Y50 WeakPolarHBondContact O-CB 3.45Å; A46-Y50 PolarHBondContact O-N 2.91Å; V47-Y50 PolarHBondContact O-N 3.09Å; Y50-G52 PolarHBondContact O-N 2.9Å; Y50-L53 PolarHBondContact O-N 3.42Å; Y50-V54 HydrophobicContact CD2-CG2 4.31Å; Y50-V54 HydrophobicContact CE1-CG2 4.2Å; Y50-V54 HydrophobicContact CE2-CG2 3.88Å; Y50-V54 WeakPolarHBondContact O-CG2 3.4Å; Y50-V54 PolarHBondContact O-N 3.47Å; Y50-V158 VanDerWaalsContact OH-CG1 3.27Å; Y50-V158 WeakPolarHBondContact OH-CG1 3.29Å
51N97.2Very high97.4Very high2 Ų260.3 Ų60.31%0.01133%0.328CS..Hα-helixtrans-61.4-31178.4-73.3-89000111.5F31 F32 V47 P48 F55 F166F31-N51 HydrophobicContact CE1-CB 4.32Å; F32-N51 HydrophobicContact CZ-CB 3.98Å; V47-N51 PolarHBondContact O-N 3.25Å; V47-N51 VanDerWaalsContact O-N 3.13Å; V47-N51 PolarHBondContact O-ND2 2.86Å; P48-N51 PolarHBondContact O-N 2.83Å; N51-F55 VanDerWaalsContact O-CB 3.24Å; N51-F55 WeakPolarHBondContact O-CB 3.35Å; N51-F55 PolarHBondContact O-N 3.5Å; N51-F166 WeakPolarHBondContact ND2-CD2 3.28Å; N51-F166 WeakPolarHBondContact ND2-CE2 3.36Å
52G97.9Very high97.4Very high16 Ų1652.2 Ų52.217%0.16529%0.293CS..Hα-helixtrans-71-44.5178.400000112.3P48 L49 Y50 F55 L56P48-G52 PolarHBondContact O-N 3.03Å; L49-G52 PolarHBondContact O-N 3.48Å; Y50-G52 PolarHBondContact O-N 2.9Å; G52-F55 PolarHBondContact O-N 2.75Å; G52-L56 WeakPolarHBondContact O-CB 3.48Å; G52-L56 VanDerWaalsContact O-CG 3.29Å; G52-L56 WeakPolarHBondContact O-CG 3.32Å; G52-L56 PolarHBondContact O-N 3.3Å
53L98.4Very high97.6Very high110 Ų11050.2 Ų50.258%0.57628%0.283SS*.Hα-helixtrans-63.8-42.6174.6-68.6170.8000111.6L49 Y50 F57L49-L53 HydrophobicContact CD1-CD1 4.43Å; L49-L53 HydrophobicContact CD1-CG 4.5Å; L49-L53 HydrophobicContact CG-CD1 4.27Å; L49-L53 WeakPolarHBondContact O-CG 3.12Å; L49-L53 PolarHBondContact O-N 2.94Å; Y50-L53 PolarHBondContact O-N 3.42Å; L53-F57 WeakPolarHBondContact O-CB 3.49Å; L53-F57 PolarHBondContact O-N 2.78Å
54V98.5Very high97.7Very high21 Ų2150 Ų5013%0.12728%0.281CS..Hα-helixtrans-62-49173.9174.40000110.5Y50 L56 F57 V58 V158 H159Y50-V54 HydrophobicContact CD2-CG2 4.31Å; Y50-V54 HydrophobicContact CE1-CG2 4.2Å; Y50-V54 HydrophobicContact CE2-CG2 3.88Å; Y50-V54 WeakPolarHBondContact O-CG2 3.4Å; Y50-V54 PolarHBondContact O-N 3.47Å; V54-L56 PolarHBondContact O-N 2.96Å; V54-F57 CarbonylContact O-C 3.34Å; V54-F57 WeakPolarHBondContact O-CB 3.31Å; V54-F57 PolarHBondContact O-N 3.48Å; V54-F57 VanDerWaalsContact O-N 3.12Å; V54-V58 HydrophobicContact CG1-CG2 4.34Å; V54-V58 WeakPolarHBondContact O-CG2 3.42Å; V54-V58 PolarHBondContact O-N 2.71Å; V54-V158 HydrophobicContact CG1-CG1 4.31Å; V54-H159 HydrophobicContact CG1-CB 3.83Å
55F98.5Very high97.7Very high25 Ų2548 Ų4811%0.1127%0.267CS..Hα-helixtrans-58.2-44.7177.9172.5-115.2000113.1L24 V25 T28 N51 G52 F57 V58 L59 H159L24-F55 HydrophobicContact CD1-CD2 4.36Å; L24-F55 HydrophobicContact CD1-CE2 4.18Å; L24-F55 HydrophobicContact CG-CE2 4.22Å; V25-F55 HydrophobicContact CG1-CZ 4.49Å; V25-F55 HydrophobicContact CG2-CZ 4.27Å; T28-F55 HydrophobicContact CG2-CB 4.08Å; T28-F55 HydrophobicContact CG2-CD1 4.03Å; T28-F55 HydrophobicContact CG2-CD2 3.46Å; T28-F55 VanDerWaalsContact CG2-CD2 3.46Å; T28-F55 HydrophobicContact CG2-CE1 4.33Å; T28-F55 HydrophobicContact CG2-CE2 3.8Å; T28-F55 HydrophobicContact CG2-CG 3.57Å; T28-F55 HydrophobicContact CG2-CZ 4.22Å; N51-F55 VanDerWaalsContact O-CB 3.24Å; N51-F55 WeakPolarHBondContact O-CB 3.35Å; N51-F55 PolarHBondContact O-N 3.5Å; G52-F55 PolarHBondContact O-N 2.75Å; F55-F57 VanDerWaalsContact C-N 3.29Å; F55-F57 PolarHBondContact O-N 2.99Å; F55-V58 PolarHBondContact O-N 2.64Å; F55-L59 HydrophobicContact CE1-CD2 4.46Å; F55-L59 HydrophobicContact CZ-CD2 4.35Å; F55-L59 WeakPolarHBondContact O-CB 3.45Å; F55-L59 PolarHBondContact O-N 2.77Å; F55-H159 AromaticContact CD2-NE2 3.96Å
56L98.5Very high97.7Very high108 Ų10844.9 Ų44.957%0.56525%0.246SC*.Hα-helixtrans-62.2-37.9176.5-72171.7000111.5G52 V54 A60G52-L56 WeakPolarHBondContact O-CB 3.48Å; G52-L56 VanDerWaalsContact O-CG 3.29Å; G52-L56 WeakPolarHBondContact O-CG 3.32Å; G52-L56 PolarHBondContact O-N 3.3Å; V54-L56 PolarHBondContact O-N 2.96Å; L56-A60 VanDerWaalsContact O-CB 3.3Å; L56-A60 WeakPolarHBondContact O-CB 3.48Å; L56-A60 PolarHBondContact O-N 2.91Å
57F98.6Very high97.7Very high100 Ų10050.4 Ų50.444%0.43926%0.26SS..Hα-helixtrans-68.6-40.1174.3-172.5-101.6000112.4L53 V54 F55 A60 N61 L151L53-F57 WeakPolarHBondContact O-CB 3.49Å; L53-F57 PolarHBondContact O-N 2.78Å; V54-F57 CarbonylContact O-C 3.34Å; V54-F57 WeakPolarHBondContact O-CB 3.31Å; V54-F57 PolarHBondContact O-N 3.48Å; V54-F57 VanDerWaalsContact O-N 3.12Å; F55-F57 VanDerWaalsContact C-N 3.29Å; F55-F57 PolarHBondContact O-N 2.99Å; F57-A60 PolarHBondContact O-N 3.49Å; F57-N61 WeakPolarHBondContact CD1-ND2 3.31Å; F57-N61 WeakPolarHBondContact CE1-ND2 3.29Å; F57-N61 WeakPolarHBondContact CE2-ND2 2.85Å; F57-N61 WeakPolarHBondContact CZ-ND2 3.48Å; F57-N61 WeakPolarHBondContact O-CB 3.48Å; F57-N61 PolarHBondContact O-N 3.44Å; F57-N61 PolarHBondContact O-ND2 2.9Å; F57-L151 HydrophobicContact CE1-CB 4.41Å; F57-L151 HydrophobicContact CZ-CB 4.46Å; F57-L151 HydrophobicContact CZ-CD1 4.38Å; F57-L151 HydrophobicContact CZ-CD2 4.32Å
58V98.7Very high97.7Very high0 Ų050.9 Ų50.90%026%0.262CS..Hα-helixtrans-59.3-49.7172.1175.80000110.5L24 V54 F55 A60 N61 F62 F152 S155 L156 H159L24-V58 HydrophobicContact CD1-CG1 3.85Å; L24-V58 HydrophobicContact CD2-CG1 3.98Å; V54-V58 HydrophobicContact CG1-CG2 4.34Å; V54-V58 WeakPolarHBondContact O-CG2 3.42Å; V54-V58 PolarHBondContact O-N 2.71Å; F55-V58 PolarHBondContact O-N 2.64Å; V58-A60 PolarHBondContact O-N 2.92Å; V58-N61 PolarHBondContact O-N 3.37Å; V58-F62 VanDerWaalsContact O-CB 3.28Å; V58-F62 WeakPolarHBondContact O-CB 3.38Å; V58-F62 PolarHBondContact O-N 3.23Å; V58-F152 HydrophobicContact CG1-CD2 3.98Å; V58-F152 HydrophobicContact CG1-CE2 4.02Å; V58-S155 WeakPolarHBondContact CG2-O 3.43Å; V58-S155 WeakPolarHBondContact CG2-OG 3.26Å; V58-L156 HydrophobicContact CG1-CB 4.25Å; V58-L156 HydrophobicContact CG1-CD1 4.03Å; V58-H159 HydrophobicContact CG2-CB 4.06Å
59L98.4Very high97.7Very high54 Ų5451.3 Ų51.328%0.28326%0.263SS..Hα-helixtrans-63.9-39.3-178.3-177.161.4000112.1V25 F55 S63V25-L59 HydrophobicContact CG2-CD1 4.23Å; F55-L59 HydrophobicContact CE1-CD2 4.46Å; F55-L59 HydrophobicContact CZ-CD2 4.35Å; F55-L59 WeakPolarHBondContact O-CB 3.45Å; F55-L59 PolarHBondContact O-N 2.77Å; L59-S63 VanDerWaalsContact O-CB 3.31Å; L59-S63 WeakPolarHBondContact O-CB 3.17Å; L59-S63 PolarHBondContact O-N 2.84Å; L59-S63 PolarHBondContact O-OG 3.42Å
60A98.4Very high97.6Very high49 Ų4946.1 Ų46.141%0.40524%0.237SC..Hα-helixtrans-63.5-48.4173.800000111.7L56 F57 V58 S63 M64L56-A60 VanDerWaalsContact O-CB 3.3Å; L56-A60 WeakPolarHBondContact O-CB 3.48Å; L56-A60 PolarHBondContact O-N 2.91Å; F57-A60 PolarHBondContact O-N 3.49Å; V58-A60 PolarHBondContact O-N 2.92Å; A60-S63 PolarHBondContact O-N 3.41Å; A60-M64 WeakPolarHBondContact O-CB 3.45Å; A60-M64 WeakPolarHBondContact O-CG 3.37Å; A60-M64 PolarHBondContact O-N 3.34Å
61N98.4Very high97.5Very high7 Ų740.7 Ų40.74%0.03722%0.215CC..Hα-helixtrans-67.9-38.4179.5-76.9-75.8000112.6F57 V58 M64 A65 L151 F152F57-N61 WeakPolarHBondContact CD1-ND2 3.31Å; F57-N61 WeakPolarHBondContact CE1-ND2 3.29Å; F57-N61 WeakPolarHBondContact CE2-ND2 2.85Å; F57-N61 WeakPolarHBondContact CZ-ND2 3.48Å; F57-N61 WeakPolarHBondContact O-CB 3.48Å; F57-N61 PolarHBondContact O-N 3.44Å; F57-N61 PolarHBondContact O-ND2 2.9Å; V58-N61 PolarHBondContact O-N 3.37Å; N61-M64 PolarHBondContact O-N 2.9Å; N61-A65 WeakPolarHBondContact O-CB 3.44Å; N61-A65 PolarHBondContact O-N 3.3Å; N61-L151 WeakPolarHBondContact OD1-CB 3.37Å; N61-F152 HydrophobicContact CB-CB 3.8Å
62F98.4Very high97.4Very high13 Ų1342.2 Ų42.26%0.05722%0.223CC..Hα-helixtrans-58.7-47.5171.7176.6-105.8000111.6V17 A20 A21 L24 V58 M64 A65 T66 V137 F152V17-F62 HydrophobicContact CG2-CZ 3.95Å; A20-F62 HydrophobicContact CB-CE2 4.29Å; A20-F62 HydrophobicContact CB-CZ 4.33Å; A21-F62 HydrophobicContact CB-CE1 3.97Å; A21-F62 HydrophobicContact CB-CZ 4.19Å; L24-F62 HydrophobicContact CD2-CB 4.45Å; L24-F62 HydrophobicContact CD2-CD1 4.46Å; L24-F62 HydrophobicContact CD2-CG 4.31Å; V58-F62 VanDerWaalsContact O-CB 3.28Å; V58-F62 WeakPolarHBondContact O-CB 3.38Å; V58-F62 PolarHBondContact O-N 3.23Å; F62-M64 PolarHBondContact O-N 2.92Å; F62-A65 PolarHBondContact O-N 2.96Å; F62-T66 VanDerWaalsContact O-CB 3.31Å; F62-T66 WeakPolarHBondContact O-CB 3.28Å; F62-T66 PolarHBondContact O-N 3.08Å; F62-T66 PolarHBondContact O-OG1 3.04Å; F62-V137 HydrophobicContact CD2-CG1 3.99Å; F62-V137 HydrophobicContact CE2-CG1 3.85Å; F62-F152 HydrophobicContact CB-CD2 3.66Å; F62-F152 HydrophobicContact CB-CE2 3.76Å; F62-F152 HydrophobicContact CB-CG 4.43Å; F62-F152 HydrophobicContact CD2-CD2 4.23Å; F62-F152 HydrophobicContact CD2-CE1 4.3Å; F62-F152 AromaticContact CD2-CE2 3.65Å; F62-F152 HydrophobicContact CD2-CE2 3.65Å; F62-F152 AromaticContact CD2-CZ 3.68Å; F62-F152 HydrophobicContact CD2-CZ 3.68Å; F62-F152 HydrophobicContact CE2-CZ 4.4Å; F62-F152 HydrophobicContact CG-CD2 4.43Å; F62-F152 HydrophobicContact CG-CE2 4.1Å
63S98.2Very high97.2Very high41 Ų4143.4 Ų43.429%0.28722%0.223SC..Hα-helixtrans-62.7-42.2177.4-58.60000111.5L59 A60 T66 F67L59-S63 VanDerWaalsContact O-CB 3.31Å; L59-S63 WeakPolarHBondContact O-CB 3.17Å; L59-S63 PolarHBondContact O-N 2.84Å; L59-S63 PolarHBondContact O-OG 3.42Å; A60-S63 PolarHBondContact O-N 3.41Å; S63-T66 PolarHBondContact O-N 2.83Å; S63-F67 WeakPolarHBondContact O-CD2 3.41Å; S63-F67 PolarHBondContact O-N 2.83Å
64M97.6Very high96.8Very high70 Ų7041.4 Ų41.435%0.34522%0.216SC..Hα-helixtrans-68.6-39178.1-68.3-70.3-88.400112.2A60 N61 F62 T66 M68 Y148A60-M64 WeakPolarHBondContact O-CB 3.45Å; A60-M64 WeakPolarHBondContact O-CG 3.37Å; A60-M64 PolarHBondContact O-N 3.34Å; N61-M64 PolarHBondContact O-N 2.9Å; F62-M64 PolarHBondContact O-N 2.92Å; M64-T66 VanDerWaalsContact C-N 3.35Å; M64-M68 HydrophobicContact CE-CE 3.41Å; M64-M68 VanDerWaalsContact CE-CE 3.41Å; M64-M68 WeakPolarHBondContact O-CB 3.48Å; M64-M68 PolarHBondContact O-N 3.43Å; M64-M68 HydrophobicContact SD-CE 4.27Å; M64-Y148 HydrophobicContact CB-CD1 3.66Å; M64-Y148 HydrophobicContact CB-CD2 4.03Å; M64-Y148 HydrophobicContact CB-CE1 4.2Å; M64-Y148 HydrophobicContact CB-CG 3.55Å; M64-Y148 HydrophobicContact CE-CD1 4.48Å; M64-Y148 HydrophobicContact CE-CE1 3.79Å; M64-Y148 HydrophobicContact CE-CE2 3.96Å; M64-Y148 VanDerWaalsContact CE-CZ 3.48Å; M64-Y148 WeakPolarHBondContact CE-OH 3.44Å; M64-Y148 HydrophobicContact CG-CD1 4.12Å; M64-Y148 HydrophobicContact CG-CE1 4.24Å; M64-Y148 HydrophobicContact CG-CG 4.46Å
65A97.4Very high96.3Very high0 Ų045.5 Ų45.50%023%0.23CC..Hα-helixtrans-63.4-40.5172.500000112.2N61 F62 V137 N139 N145 F149N61-A65 WeakPolarHBondContact O-CB 3.44Å; N61-A65 PolarHBondContact O-N 3.3Å; F62-A65 PolarHBondContact O-N 2.96Å; A65-V137 HydrophobicContact CB-CG1 4.27Å; A65-N139 PolarHBondContact O-ND2 3.26Å; A65-N145 PolarHBondContact O-ND2 2.91Å; A65-F149 HydrophobicContact CB-CB 4.18Å
66T97.1Very high95.5Very high17 Ų1745.6 Ų45.610%0.10424%0.235CC..Hα-helixtrans-68.6-49.6-179.8-58.40000112.9V17 F62 S63 M64 V137 N139V17-T66 HydrophobicContact CG2-CG2 4.08Å; F62-T66 VanDerWaalsContact O-CB 3.31Å; F62-T66 WeakPolarHBondContact O-CB 3.28Å; F62-T66 PolarHBondContact O-N 3.08Å; F62-T66 PolarHBondContact O-OG1 3.04Å; S63-T66 PolarHBondContact O-N 2.83Å; M64-T66 VanDerWaalsContact C-N 3.35Å; T66-V137 WeakPolarHBondContact CG2-O 3.25Å; T66-V137 WeakPolarHBondContact OG1-CB 3.36Å; T66-N139 PolarHBondContact O-ND2 3.43Å
67F96.4Very high94.2Very high172 Ų17246.2 Ų46.275%0.75424%0.239SC*.Hα-helixtrans-103.9-11.6-168-57.4-62000115.1S63S63-F67 WeakPolarHBondContact O-CD2 3.41Å; S63-F67 PolarHBondContact O-N 2.83Å
68M94.8Very high92.5Very high28 Ų2848 Ų4814%0.13825%0.249CC..SBendtrans-75.9136177.3-176.6164.9-7100111.9M64 P70 N139 R144 N145 Y148 L248M64-M68 HydrophobicContact CE-CE 3.41Å; M64-M68 VanDerWaalsContact CE-CE 3.41Å; M64-M68 WeakPolarHBondContact O-CB 3.48Å; M64-M68 PolarHBondContact O-N 3.43Å; M64-M68 HydrophobicContact SD-CE 4.27Å; M68-P70 WeakPolarHBondContact O-CD 2.97Å; M68-N139 PolarHBondContact O-ND2 2.93Å; M68-R144 HydrophobicContact SD-CB 4.47Å; M68-N145 HydrophobicContact CB-CB 4.08Å; M68-N145 HydrophobicContact CG-CB 4.25Å; M68-Y148 HydrophobicContact CE-CD2 4.39Å; M68-Y148 HydrophobicContact CE-CE2 3.69Å; M68-Y148 HydrophobicContact SD-CD2 4.02Å; M68-Y148 HydrophobicContact SD-CE2 3.65Å; M68-L248 HydrophobicContact CE-CD2 4.5Å; M68-L248 HydrophobicContact SD-CD1 4.09Å
69D95.6Very high90.5Very high17 Ų1754 Ų549%0.09128%0.281CS..  trans-52.7119165-171.5126.7000110.3G71 I72 R144 R251D69-G71 VanDerWaalsContact C-N 3.27Å; D69-G71 PolarHBondContact O-N 3.29Å; D69-G71 PolarHBondContact OD2-N 2.87Å; D69-I72 PolarHBondContact OD2-N 3.35Å; D69-I72 VanDerWaalsContact OD2-N 3.09Å; D69-R144 WeakPolarHBondContact O-CB 3.39Å; D69-R144 VanDerWaalsContact O-CD 3.24Å; D69-R144 WeakPolarHBondContact O-CD 3.31Å; D69-R144 PolarHBondContact O-NE 3.09Å; D69-R251 IonicContact OD1-CZ 3.23Å; D69-R251 IonicContact OD1-NE 2.92Å; D69-R251 PolarHBondContact OD1-NE 2.9Å; D69-R251 IonicContact OD1-NH2 2.69Å; D69-R251 PolarHBondContact OD1-NH2 3.49Å
70P95.9Very high88.5Confident4 Ų459.2 Ų59.23%0.02630%0.304CS..  trans-76.5-10.7-171.230.9-36.9000114.3M68 I72 V127 C140 G142 R143 R144 N145M68-P70 WeakPolarHBondContact O-CD 2.97Å; P70-I72 HydrophobicContact CG-CD1 4.41Å; P70-I72 HydrophobicContact CG-CG1 3.98Å; P70-V127 HydrophobicContact CB-CG1 4.03Å; P70-V127 HydrophobicContact CG-CG1 4.16Å; P70-V127 HydrophobicContact CG-CG2 4.33Å; P70-C140 HydrophobicContact CB-CB 4.25Å; P70-C140 WeakPolarHBondContact CB-O 3.47Å; P70-C140 HydrophobicContact CG-CB 4.06Å; P70-G142 CarbonylContact O-C 3.48Å; P70-R143 PolarHBondContact O-N 3.37Å; P70-R143 VanDerWaalsContact O-N 3.13Å; P70-R144 PolarHBondContact O-N 2.85Å; P70-N145 WeakPolarHBondContact CB-OD1 3.18Å
71G95Very high86.4Confident0 Ų058.6 Ų58.60%029%0.294CS..  trans117.746.3-170.100000110.7D69 Y73 V127 E128D69-G71 VanDerWaalsContact C-N 3.27Å; D69-G71 PolarHBondContact O-N 3.29Å; D69-G71 PolarHBondContact OD2-N 2.87Å; G71-Y73 PolarHBondContact O-N 3.11Å; G71-V127 CarbonylContact O-C 3.6Å; G71-V127 WeakPolarHBondContact O-CA 3.24Å; G71-E128 PolarHBondContact O-N 3.07Å
72I94.8Very high84.2Confident35 Ų3563.9 Ų63.918%0.17932%0.317CS..BIsolated β-bridgetrans-72.2124179.4-64.9172.5000109D69 P70 N125 C126 V127 V253D69-I72 PolarHBondContact OD2-N 3.35Å; D69-I72 VanDerWaalsContact OD2-N 3.09Å; P70-I72 HydrophobicContact CG-CD1 4.41Å; P70-I72 HydrophobicContact CG-CG1 3.98Å; I72-N125 HydrophobicContact CG1-CB 4.48Å; I72-N125 HydrophobicContact CG2-CB 4.1Å; I72-C126 WeakPolarHBondContact CA-O 3.12Å; I72-V127 HydrophobicContact CG1-CG2 4.37Å; I72-V253 HydrophobicContact CB-CG2 4.19Å; I72-V253 HydrophobicContact CG2-CG2 3.83Å
73Y92.6Very high82.1Confident41 Ų4171.2 Ų71.216%0.16136%0.356CS..PPolyproline II helixtrans-77.2143.4165.9-76.8-74.6000110G71 F111 P114 C117 C126 E128 Y252G71-Y73 PolarHBondContact O-N 3.11Å; Y73-F111 HydrophobicContact CD2-CE2 4.49Å; Y73-F111 HydrophobicContact CD2-CZ 4.24Å; Y73-F111 HydrophobicContact CG-CE2 4.37Å; Y73-F111 AromaticContact CG-CZ 4Å; Y73-F111 HydrophobicContact CG-CZ 4Å; Y73-P114 HydrophobicContact CE2-CG 4.25Å; Y73-C117 HydrophobicContact CE2-CB 4.2Å; Y73-C126 PolarHBondContact N-O 3.04Å; Y73-E128 HydrophobicContact CD2-CB 4.45Å; Y73-E128 HydrophobicContact CE2-CB 3.69Å; Y73-E128 HydrophobicContact CE2-CG 4.14Å; Y73-Y252 HydrophobicContact CD1-CD1 4.46Å; Y73-Y252 HydrophobicContact CD1-CD2 4.03Å; Y73-Y252 HydrophobicContact CD1-CE2 4.41Å; Y73-Y252 HydrophobicContact CD1-CG 4.08Å; Y73-Y252 HydrophobicContact CE1-CD1 4.31Å; Y73-Y252 HydrophobicContact CE1-CD2 4.11Å; Y73-Y252 HydrophobicContact CE1-CE1 4.22Å; Y73-Y252 HydrophobicContact CE1-CE2 4.03Å; Y73-Y252 HydrophobicContact CE1-CG 4.26Å
74P90.3Very high80Confident67 Ų6774.4 Ų74.444%0.43537%0.37SS..PPolyproline II helixtrans-58.7158.4165.929.9-36.9000110.4F111 Y252P74-F111 WeakPolarHBondContact O-CE1 3.23Å; P74-Y252 VanDerWaalsContact CD-CB 3.48Å
75R88.5Confident78.1Confident107 Ų10777.8 Ų77.840%0.40439%0.39SS..PPolyproline II helixtrans-78.3152.5160.8-53.4-175.7-176.1-165.6-1.7107.5C109 D124R75-C109 CarbonylContact C-O 3.14Å; R75-C109 VanDerWaalsContact CA-O 3.24Å; R75-C109 WeakPolarHBondContact CA-O 3.27Å; R75-C109 HydrophobicContact CB-CB 4.49Å; R75-C109 HydrophobicContact CG-CB 4.07Å; R75-D124 IonicContact CZ-OD1 2.72Å; R75-D124 PolarHBondContact NH2-O 3.33Å; R75-D124 IonicContact NH2-OD1 2.77Å; R75-D124 PolarHBondContact NH2-OD1 2.8Å; R75-D124 IonicContact NH2-OD2 3.72Å; R75-D124 PolarHBondContact NH2-OD2 3.44Å
76A81.3Confident75.9Confident28 Ų2887 Ų8723%0.23143%0.43CS..PPolyproline II helixtrans-66153.2165.400000109.8C109 H110A76-C109 PolarHBondContact N-O 3.5Å; A76-H110 HydrophobicContact CB-CB 3.92Å; A76-H110 WeakPolarHBondContact CB-O 3.32Å
77D72.1Confident74Confident121 Ų12196.5 Ų96.565%0.64746%0.464SS*.PPolyproline II helixtrans-77.2138.9170.5-71.2-45.1000108.4D79 E80D77-D79 PolarHBondContact O-N 3.31Å; D77-E80 PolarHBondContact O-N 3.3Å
78E61.5Low72Confident137 Ų13790.1 Ų90.164%0.6444%0.443SS*.THydrogen-bonded Turntrans-63.1-4-169.6-64.4-178.4175.400114.9K82E78-K82 VanDerWaalsContact O-CD 3.27Å; E78-K82 WeakPolarHBondContact O-CD 3.5Å; E78-K82 WeakPolarHBondContact O-CE 3.31Å; E78-K82 WeakPolarHBondContact O-CG 3.48Å; E78-K82 PolarHBondContact O-NZ 2.88Å
79D57.7Low70.1Confident127 Ų12793 Ų9368%0.67946%0.463SS*.THydrogen-bonded Turntrans-95.3-9.6-178.5-61.7-40.6000113.7D77 K82D77-D79 PolarHBondContact O-N 3.31Å; D79-K82 IonicContact OD1-NZ 3.48Å; D79-K82 PolarHBondContact OD1-NZ 3.3Å
80E56.9Low68.4Low162 Ų16297.3 Ų97.376%0.75749%0.486SS*.THydrogen-bonded Turntrans-86.4-23.1170.9-67.2-168.9157.800113D77D77-E80 PolarHBondContact O-N 3.3Å
81D53.6Low66.7Low37 Ų37101 Ų10120%0.19850%0.5CS..SBendtrans-90.2-19-172.5-102.119.4000114.2D83 D84 W105 H110D81-D83 VanDerWaalsContact C-N 3.32Å; D81-D83 PolarHBondContact O-N 3.04Å; D81-D84 PolarHBondContact O-N 2.99Å; D81-D84 VanDerWaalsContact O-N 3.11Å; D81-W105 WeakPolarHBondContact OD1-CH2 3.49Å; D81-W105 VanDerWaalsContact OD2-CZ2 3.31Å; D81-W105 WeakPolarHBondContact OD2-CZ2 3.4Å; D81-H110 WeakPolarHBondContact OD2-CB 3.15Å; D81-H110 IonicContact OD2-CE1 3.4Å; D81-H110 IonicContact OD2-CG 2.56Å; D81-H110 IonicContact OD2-ND1 3.9Å; D81-H110 PolarHBondContact OD2-ND1 3.13Å
82K52.8Low65.5Low118 Ų118106.8 Ų106.851%0.51353%0.525SS..THydrogen-bonded Turntrans-68-24.7-167-78.9163.1-173.8155.10115E78 D79E78-K82 VanDerWaalsContact O-CD 3.27Å; E78-K82 WeakPolarHBondContact O-CD 3.5Å; E78-K82 WeakPolarHBondContact O-CE 3.31Å; E78-K82 WeakPolarHBondContact O-CG 3.48Å; E78-K82 PolarHBondContact O-NZ 2.88Å; D79-K82 IonicContact OD1-NZ 3.48Å; D79-K82 PolarHBondContact OD1-NZ 3.3Å
83D53.5Low64.5Low167 Ų167109.1 Ų109.189%0.89354%0.538SS*.THydrogen-bonded Turntrans-85.7-14176.6-67.7-29.8000112.7D81D81-D83 VanDerWaalsContact C-N 3.32Å; D81-D83 PolarHBondContact O-N 3.04Å
84D55.4Low63.6Low107 Ų107109.7 Ų109.757%0.57255%0.546SS*.  trans-103.89.2-175.2-128.47.7000112.8D81 F86D81-D84 PolarHBondContact O-N 2.99Å; D81-D84 VanDerWaalsContact O-N 3.11Å; D84-F86 PolarHBondContact O-N 3.4Å
85D55.9Low62.9Low142 Ų142112.7 Ų112.776%0.75955%0.554SS**THydrogen-bonded Turntrans-66-2.4-173.6-147.311.5000113.8
86F52.3Low62.2Low192 Ų192109.2 Ų109.284%0.84254%0.543SS*.THydrogen-bonded Turntrans-107.881.2174.4-121.3-101.1000113.6D84D84-F86 PolarHBondContact O-N 3.4Å
87R57.8Low61.9Low218 Ų218115.3 Ų115.382%0.82356%0.564SS**THydrogen-bonded Turntrans7538163.1-48.1164.259.4112.5-3.3116.1P89R87-P89 WeakPolarHBondContact O-CD 3.48Å
88A53.9Low61.6Low37 Ų37112.3 Ų112.331%0.30656%0.562SS.*  trans-39.8115.4159.600000110.6L90A88-L90 PolarHBondContact O-N 2.84Å
89P55Low62.3Low88 Ų88108.7 Ų108.757%0.57155%0.546SS*.  trans-59.2125.4-169.4-27.734.9000111.4R87 Y91 Y112R87-P89 WeakPolarHBondContact O-CD 3.48Å; P89-Y91 PolarHBondContact O-N 2.93Å; P89-Y112 WeakPolarHBondContact CD-OH 3.49Å; P89-Y112 VanDerWaalsContact N-OH 3.16Å; P89-Y112 WeakPolarHBondContact O-CE1 3.42Å; P89-Y112 PolarHBondContact O-OH 3.34Å
90L60.2Low63.1Low109 Ų109108.6 Ų108.657%0.57154%0.542SS*.SBendtrans-52.6-20-173.4-177.258.6000114.4A88A88-L90 PolarHBondContact O-N 2.84Å
91Y59.8Low64Low80 Ų80102.1 Ų102.131%0.31451%0.513SS..EExtended strand (participates in β ladder)trans-138.6131.8178.6-54.9-79.2000111.9P89 R102 M103 K104P89-Y91 PolarHBondContact O-N 2.93Å; Y91-R102 HydrophobicContact CD1-CG 3.64Å; Y91-R102 HydrophobicContact CG-CG 3.94Å; Y91-R102 VanDerWaalsContact CG-CZ 3.41Å; Y91-M103 WeakPolarHBondContact CA-O 3.35Å; Y91-K104 HydrophobicContact CD1-CG 3.97Å; Y91-K104 HydrophobicContact CE1-CD 4.02Å; Y91-K104 HydrophobicContact CE1-CG 3.87Å
92K70.6Confident65.1Low122 Ų122107.2 Ų107.253%0.5353%0.53SS..EExtended strand (participates in β ladder)trans-110.8122.5167.6-175.7172.5-176.2170.10108M103 Y112K92-M103 HydrophobicContact CB-CB 4.33Å; K92-M103 HydrophobicContact CB-SD 4.32Å; K92-M103 HydrophobicContact CD-SD 4.32Å; K92-M103 HydrophobicContact CG-SD 4.39Å; K92-M103 VanDerWaalsContact O-CB 3.29Å; K92-M103 WeakPolarHBondContact O-CB 3.26Å; K92-M103 PolarHBondContact O-N 3.04Å; K92-Y112 HydrophobicContact CB-CD1 4.17Å; K92-Y112 HydrophobicContact CB-CE1 4.18Å
93N72.8Confident66.6Low85 Ų85103 Ų10346%0.45551%0.512SS..EExtended strand (participates in β ladder)trans-81.6132.1173.8-69.6-2.1000108.8Q100N93-Q100 PolarHBondContact ND2-OE1 3.41Å
94V74.5Confident68.1Low53 Ų53100.3 Ų100.332%0.32149%0.492SS..EExtended strand (participates in β ladder)trans-125.5126.6172.2173.60000107.8I96 V101 M103V94-I96 HydrophobicContact CG1-CG1 4.43Å; V94-V101 PolarHBondContact N-O 3.14Å; V94-V101 PolarHBondContact O-N 3.36Å; V94-M103 HydrophobicContact CG2-CG 4.08Å; V94-M103 HydrophobicContact CG2-SD 3.45Å; V94-M103 WeakPolarHBondContact CG2-SD 3.39Å
95E74.8Confident69.5Low129 Ų12998 Ų9860%0.60348%0.476SS*.EExtended strand (participates in β ladder)trans-81.2131.6179-161.3179.5125.700111.1G98E95-G98 VanDerWaalsContact OE1-CA 3.31Å; E95-G98 WeakPolarHBondContact OE1-CA 3.44Å
96I74.7Confident71.2Confident35 Ų3591.4 Ų91.418%0.17944%0.441CS..EExtended strand (participates in β ladder)trans-130107.6180-50.8179.4000107.2V94 G98 I99 V101 P115 P231 F232V94-I96 HydrophobicContact CG1-CG1 4.43Å; I96-G98 PolarHBondContact O-N 3Å; I96-I99 PolarHBondContact N-O 2.95Å; I96-I99 PolarHBondContact O-N 3.42Å; I96-I99 VanDerWaalsContact O-N 3.08Å; I96-V101 HydrophobicContact CB-CG2 4.44Å; I96-V101 HydrophobicContact CD1-CB 3.89Å; I96-V101 HydrophobicContact CD1-CG1 4.41Å; I96-V101 HydrophobicContact CD1-CG2 3.74Å; I96-V101 HydrophobicContact CG1-CB 4.38Å; I96-V101 HydrophobicContact CG1-CG2 4.16Å; I96-P115 HydrophobicContact CD1-CB 3.66Å; I96-P115 HydrophobicContact CD1-CG 3.44Å; I96-P115 VanDerWaalsContact CD1-CG 3.44Å; I96-P231 HydrophobicContact CG2-CB 4.4Å; I96-F232 HydrophobicContact CD1-CE1 4.08Å; I96-F232 HydrophobicContact CD1-CZ 3.83Å; I96-F232 HydrophobicContact CG2-CE1 4.27Å
97K74Confident72.9Confident155 Ų15585.8 Ų85.867%0.67443%0.43SS*.THydrogen-bonded Turntrans51.847.4-177.2-53177.3-178174.30113.1I99 P231K97-I99 VanDerWaalsContact C-N 3.3Å; K97-I99 PolarHBondContact O-N 2.97Å; K97-P231 WeakPolarHBondContact CD-O 3.23Å; K97-P231 WeakPolarHBondContact CE-O 3.24Å; K97-P231 PolarHBondContact NZ-O 3.38Å
98G66.9Low74.4Confident58 Ų5878.5 Ų78.560%0.59841%0.41SS*.THydrogen-bonded Turntrans81.2-2.4-178.100000115.7E95 I96E95-G98 VanDerWaalsContact OE1-CA 3.31Å; E95-G98 WeakPolarHBondContact OE1-CA 3.44Å; I96-G98 PolarHBondContact O-N 3Å
99I76.3Confident76.1Confident61 Ų6176.8 Ų76.831%0.31340%0.395SS..EExtended strand (participates in β ladder)trans-111.3118.9-178.4-59.6-176.5000109.9I96 K97 V101 V229 P231I96-I99 PolarHBondContact N-O 2.95Å; I96-I99 PolarHBondContact O-N 3.42Å; I96-I99 VanDerWaalsContact O-N 3.08Å; K97-I99 VanDerWaalsContact C-N 3.3Å; K97-I99 PolarHBondContact O-N 2.97Å; I99-V101 PolarHBondContact O-N 3.43Å; I99-V229 HydrophobicContact CD1-CB 4.43Å; I99-V229 WeakPolarHBondContact CD1-O 3.44Å; I99-P231 HydrophobicContact CD1-CB 4.17Å; I99-P231 HydrophobicContact CD1-CG 4.41Å
100Q72.6Confident77.6Confident125 Ų12575.6 Ų75.658%0.58438%0.382SS*.EExtended strand (participates in β ladder)trans-70.7113.8174.9-66.8-167.419.400111.2N93N93-Q100 PolarHBondContact ND2-OE1 3.41Å
101V76.3Confident78.9Confident26 Ų2672.1 Ų72.116%0.15836%0.363CS..EExtended strand (participates in β ladder)trans-102.8125.7174.7179.30000109.8V94 I96 I99 M103 P115V94-V101 PolarHBondContact N-O 3.14Å; V94-V101 PolarHBondContact O-N 3.36Å; I96-V101 HydrophobicContact CB-CG2 4.44Å; I96-V101 HydrophobicContact CD1-CB 3.89Å; I96-V101 HydrophobicContact CD1-CG1 4.41Å; I96-V101 HydrophobicContact CD1-CG2 3.74Å; I96-V101 HydrophobicContact CG1-CB 4.38Å; I96-V101 HydrophobicContact CG1-CG2 4.16Å; I99-V101 PolarHBondContact O-N 3.43Å; V101-M103 PolarHBondContact O-N 3.27Å; V101-P115 HydrophobicContact CG1-CB 4.17Å; V101-P115 HydrophobicContact CG1-CG 4.42Å
102R76.6Confident80.3Confident144 Ų14470.6 Ų70.654%0.54336%0.357SS..EExtended strand (participates in β ladder)trans-87.3100.8-173.8-164.4-179.6-157.1-162.43.7111.3Y91Y91-R102 HydrophobicContact CD1-CG 3.64Å; Y91-R102 HydrophobicContact CG-CG 3.94Å; Y91-R102 VanDerWaalsContact CG-CZ 3.41Å
103M84.4Confident81.3Confident30 Ų3067.6 Ų67.615%0.14834%0.342CS..EExtended strand (participates in β ladder)trans-61.8153.4170-59.7176.581.300110.3Y91 K92 V94 V101 Y112 R113Y91-M103 WeakPolarHBondContact CA-O 3.35Å; K92-M103 HydrophobicContact CB-CB 4.33Å; K92-M103 HydrophobicContact CB-SD 4.32Å; K92-M103 HydrophobicContact CD-SD 4.32Å; K92-M103 HydrophobicContact CG-SD 4.39Å; K92-M103 VanDerWaalsContact O-CB 3.29Å; K92-M103 WeakPolarHBondContact O-CB 3.26Å; K92-M103 PolarHBondContact O-N 3.04Å; V94-M103 HydrophobicContact CG2-CG 4.08Å; V94-M103 HydrophobicContact CG2-SD 3.45Å; V94-M103 WeakPolarHBondContact CG2-SD 3.39Å; V101-M103 PolarHBondContact O-N 3.27Å; M103-Y112 VanDerWaalsContact CE-O 3.26Å; M103-Y112 WeakPolarHBondContact CE-O 3.19Å; M103-R113 WeakPolarHBondContact CB-O 3.32Å
104K85.3Confident82.2Confident110 Ų11065.2 Ų65.248%0.47833%0.331SS..EExtended strand (participates in β ladder)trans-129127.9177.4-57.8-164.3-179.3-169.30111.2Y91 R113Y91-K104 HydrophobicContact CD1-CG 3.97Å; Y91-K104 HydrophobicContact CE1-CD 4.02Å; Y91-K104 HydrophobicContact CE1-CG 3.87Å; K104-R113 VanDerWaalsContact O-CB 3.31Å; K104-R113 WeakPolarHBondContact O-CB 3.31Å; K104-R113 PolarHBondContact O-N 3.15Å; K104-R113 PolarHBondContact O-NE 2.87Å
105W86.1Confident82.9Confident58 Ų5864.6 Ų64.622%0.2233%0.328CS..EExtended strand (participates in β ladder)trans-52.2147.9170.2-173.9-114.2000112.1D81 H110 F111 Y112 R113D81-W105 WeakPolarHBondContact OD1-CH2 3.49Å; D81-W105 VanDerWaalsContact OD2-CZ2 3.31Å; D81-W105 WeakPolarHBondContact OD2-CZ2 3.4Å; W105-H110 VanDerWaalsContact CH2-C 3.46Å; W105-F111 VanDerWaalsContact CZ3-C 3.44Å; W105-F111 VanDerWaalsContact CZ3-CA 3.43Å; W105-Y112 HydrophobicContact CB-CE1 4.37Å; W105-Y112 HydrophobicContact CE3-CD1 4.21Å; W105-Y112 AromaticContact CE3-CD2 3.59Å; W105-Y112 HydrophobicContact CE3-CD2 3.59Å; W105-Y112 HydrophobicContact CE3-CE1 4.3Å; W105-Y112 AromaticContact CE3-CE2 3.7Å; W105-Y112 HydrophobicContact CE3-CE2 3.7Å; W105-Y112 AromaticContact CE3-CG 3.86Å; W105-Y112 HydrophobicContact CE3-CG 3.86Å; W105-Y112 AromaticContact CZ3-CD2 3.7Å; W105-Y112 HydrophobicContact CZ3-CD2 3.7Å; W105-Y112 AromaticContact CZ3-CE2 3.89Å; W105-Y112 HydrophobicContact CZ3-CE2 3.89Å; W105-Y112 HydrophobicContact CZ3-CG 4.32Å; W105-R113 PolarHBondContact O-NE 2.8Å; W105-R113 PolarHBondContact O-NH2 2.75Å
106C89.8Confident83.7Confident5 Ų560.1 Ų60.13%0.03431%0.306CS..EExtended strand (participates in β ladder)trans-125.796174.5-172.30000111.7T108 C109 H110 F111 R113 C126C106-T108 PolarHBondContact O-N 3.09Å; C106-C109 HydrophobicContact CB-CB 4.49Å; C106-C109 PolarHBondContact O-N 2.88Å; C106-H110 PolarHBondContact O-N 3.14Å; C106-F111 PolarHBondContact N-O 3.15Å; C106-R113 HydrophobicContact CB-CG 3.85Å; C106-C126 VanDerWaalsContact SG-SG 3.63Å
107A88.6Confident84.6Confident74 Ų7458.9 Ų58.961%0.61230%0.3SS*.THydrogen-bonded Turntrans-64.35.9178.900000116
108T88.8Confident85.6Confident64 Ų6452.6 Ų52.639%0.39328%0.275SS..THydrogen-bonded Turntrans-111.8-12174.5-40.40000111.9C106C106-T108 PolarHBondContact O-N 3.09Å
109C89.3Confident86.9Confident1 Ų151.8 Ų51.81%0.00726%0.256CS..THydrogen-bonded Turntrans-132.1-3.8-178.2-56.20000113.2R75 A76 C106 F111 H119R75-C109 CarbonylContact C-O 3.14Å; R75-C109 VanDerWaalsContact CA-O 3.24Å; R75-C109 WeakPolarHBondContact CA-O 3.27Å; R75-C109 HydrophobicContact CB-CB 4.49Å; R75-C109 HydrophobicContact CG-CB 4.07Å; A76-C109 PolarHBondContact N-O 3.5Å; C106-C109 HydrophobicContact CB-CB 4.49Å; C106-C109 PolarHBondContact O-N 2.88Å; C109-F111 HydrophobicContact CB-CD1 3.86Å; C109-F111 HydrophobicContact CB-CE1 3.61Å; C109-F111 WeakPolarHBondContact O-CD1 3.47Å; C109-F111 PolarHBondContact O-N 2.98Å; C109-H119 PolarHBondContact SG-ND1 3.34Å; C109-H119 VanDerWaalsContact SG-ND1 3.42Å
110H87.9Confident87.9Confident64 Ų6449.2 Ų49.230%0.29624%0.243SC..THydrogen-bonded Turntrans61.144.2172.7-66.6-89.4000113.6A76 D81 W105 C106A76-H110 HydrophobicContact CB-CB 3.92Å; A76-H110 WeakPolarHBondContact CB-O 3.32Å; D81-H110 WeakPolarHBondContact OD2-CB 3.15Å; D81-H110 IonicContact OD2-CE1 3.4Å; D81-H110 IonicContact OD2-CG 2.56Å; D81-H110 IonicContact OD2-ND1 3.9Å; D81-H110 PolarHBondContact OD2-ND1 3.13Å; W105-H110 VanDerWaalsContact CH2-C 3.46Å; C106-H110 PolarHBondContact O-N 3.14Å
111F88.1Confident88.9Confident36 Ų3648.1 Ų48.116%0.15825%0.25CC..EExtended strand (participates in β ladder)trans-155.216116969-87.5000114.1Y73 P74 W105 C106 C109 R113 C126Y73-F111 HydrophobicContact CD2-CE2 4.49Å; Y73-F111 HydrophobicContact CD2-CZ 4.24Å; Y73-F111 HydrophobicContact CG-CE2 4.37Å; Y73-F111 AromaticContact CG-CZ 4Å; Y73-F111 HydrophobicContact CG-CZ 4Å; P74-F111 WeakPolarHBondContact O-CE1 3.23Å; W105-F111 VanDerWaalsContact CZ3-C 3.44Å; W105-F111 VanDerWaalsContact CZ3-CA 3.43Å; C106-F111 PolarHBondContact N-O 3.15Å; C109-F111 HydrophobicContact CB-CD1 3.86Å; C109-F111 HydrophobicContact CB-CE1 3.61Å; C109-F111 WeakPolarHBondContact O-CD1 3.47Å; C109-F111 PolarHBondContact O-N 2.98Å; F111-R113 HydrophobicContact CE2-CG 4.41Å; F111-R113 PolarHBondContact O-N 3.04Å; F111-C126 HydrophobicContact CE1-CB 3.94Å; F111-C126 HydrophobicContact CE2-CB 4.49Å; F111-C126 HydrophobicContact CZ-CB 3.46Å; F111-C126 VanDerWaalsContact CZ-CB 3.46Å
112Y88.3Confident89.7Confident48 Ų4850 Ų5019%0.18826%0.261CS..EExtended strand (participates in β ladder)trans-70.9108.8167.5-79.4-79000111.1P89 K92 M103 W105 P114P89-Y112 WeakPolarHBondContact CD-OH 3.49Å; P89-Y112 VanDerWaalsContact N-OH 3.16Å; P89-Y112 WeakPolarHBondContact O-CE1 3.42Å; P89-Y112 PolarHBondContact O-OH 3.34Å; K92-Y112 HydrophobicContact CB-CD1 4.17Å; K92-Y112 HydrophobicContact CB-CE1 4.18Å; M103-Y112 VanDerWaalsContact CE-O 3.26Å; M103-Y112 WeakPolarHBondContact CE-O 3.19Å; W105-Y112 HydrophobicContact CB-CE1 4.37Å; W105-Y112 HydrophobicContact CE3-CD1 4.21Å; W105-Y112 AromaticContact CE3-CD2 3.59Å; W105-Y112 HydrophobicContact CE3-CD2 3.59Å; W105-Y112 HydrophobicContact CE3-CE1 4.3Å; W105-Y112 AromaticContact CE3-CE2 3.7Å; W105-Y112 HydrophobicContact CE3-CE2 3.7Å; W105-Y112 AromaticContact CE3-CG 3.86Å; W105-Y112 HydrophobicContact CE3-CG 3.86Å; W105-Y112 AromaticContact CZ3-CD2 3.7Å; W105-Y112 HydrophobicContact CZ3-CD2 3.7Å; W105-Y112 AromaticContact CZ3-CE2 3.89Å; W105-Y112 HydrophobicContact CZ3-CE2 3.89Å; W105-Y112 HydrophobicContact CZ3-CG 4.32Å; Y112-P114 VanDerWaalsContact O-CD 3.31Å; Y112-P114 WeakPolarHBondContact O-CD 3.37Å
113R91.6Very high90.5Very high59 Ų5945 Ų4522%0.22325%0.248CC..EExtended strand (participates in β ladder)trans-58.2123.1-179.2-71172.9-81.2-165.1-5.3111.2M103 K104 W105 C106 F111 C117M103-R113 WeakPolarHBondContact CB-O 3.32Å; K104-R113 VanDerWaalsContact O-CB 3.31Å; K104-R113 WeakPolarHBondContact O-CB 3.31Å; K104-R113 PolarHBondContact O-N 3.15Å; K104-R113 PolarHBondContact O-NE 2.87Å; W105-R113 PolarHBondContact O-NE 2.8Å; W105-R113 PolarHBondContact O-NH2 2.75Å; C106-R113 HydrophobicContact CB-CG 3.85Å; F111-R113 HydrophobicContact CE2-CG 4.41Å; F111-R113 PolarHBondContact O-N 3.04Å; R113-C117 HydrophobicContact CB-CB 4.31Å
114P90.8Very high90.9Very high34 Ų3445.8 Ų45.822%0.22125%0.253CS..PPolyproline II helixtrans-54.1163172.1-29.736.9000113.2Y73 Y112 R116 C117Y73-P114 HydrophobicContact CE2-CG 4.25Å; Y112-P114 VanDerWaalsContact O-CD 3.31Å; Y112-P114 WeakPolarHBondContact O-CD 3.37Å; P114-R116 PolarHBondContact O-N 3.32Å; P114-C117 HydrophobicContact CB-CB 4.22Å; P114-C117 VanDerWaalsContact O-CB 3.25Å; P114-C117 WeakPolarHBondContact O-CB 3.38Å; P114-C117 PolarHBondContact O-N 3.43Å; P114-C117 VanDerWaalsContact O-N 3.17Å
115P89.9Confident91.4Very high40 Ų4042.6 Ų42.626%0.2624%0.241SC..THydrogen-bonded Turntrans-46.8139.6167.2-2635.1000111.1I96 V101 C117 F232I96-P115 HydrophobicContact CD1-CB 3.66Å; I96-P115 HydrophobicContact CD1-CG 3.44Å; I96-P115 VanDerWaalsContact CD1-CG 3.44Å; V101-P115 HydrophobicContact CG1-CB 4.17Å; V101-P115 HydrophobicContact CG1-CG 4.42Å; P115-C117 PolarHBondContact O-N 2.84Å; P115-F232 HydrophobicContact CB-CZ 3.99Å
116R91.9Very high91.8Very high35 Ų3539.9 Ų39.913%0.13223%0.23CC..THydrogen-bonded Turntrans63.6-16.3-179-40.3-17275.8-149.811.9116.4P114 D129 F130 E219 F232P114-R116 PolarHBondContact O-N 3.32Å; R116-D129 VanDerWaalsContact CB-OD1 3.24Å; R116-D129 WeakPolarHBondContact CB-OD1 3.39Å; R116-D129 VanDerWaalsContact CD-OD1 3.23Å; R116-D129 WeakPolarHBondContact CD-OD1 3.47Å; R116-D129 IonicContact CZ-OD1 2.77Å; R116-D129 IonicContact NE-OD1 3.59Å; R116-D129 IonicContact NH1-OD1 3.61Å; R116-D129 PolarHBondContact NH1-OD1 2.71Å; R116-D129 VanDerWaalsContact NH1-OD1 3.09Å; R116-D129 IonicContact NH1-OD2 3.7Å; R116-D129 PolarHBondContact NH1-OD2 2.95Å; R116-F130 PolarHBondContact O-N 3.07Å; R116-E219 WeakPolarHBondContact CG-OE1 3.42Å; R116-E219 IonicContact CZ-OE1 3.56Å; R116-E219 IonicContact CZ-OE2 3.1Å; R116-E219 IonicContact NE-OE1 3.51Å; R116-E219 PolarHBondContact NE-OE1 3.46Å; R116-E219 IonicContact NE-OE2 2.82Å; R116-E219 IonicContact NH2-OE1 3.57Å; R116-E219 IonicContact NH2-OE2 2.74Å; R116-E219 PolarHBondContact NH2-OE2 2.84Å; R116-F232 HydrophobicContact CG-CD2 4.03Å; R116-F232 HydrophobicContact CG-CE1 4.14Å; R116-F232 HydrophobicContact CG-CE2 3.6Å; R116-F232 HydrophobicContact CG-CG 4.47Å; R116-F232 HydrophobicContact CG-CZ 3.67Å
117C93.9Very high92.1Very high10 Ų1039.7 Ų39.77%0.06823%0.229CC..  trans-61.9146.1171.3-176.40000111.4Y73 R113 P114 P115 V127Y73-C117 HydrophobicContact CE2-CB 4.2Å; R113-C117 HydrophobicContact CB-CB 4.31Å; P114-C117 HydrophobicContact CB-CB 4.22Å; P114-C117 VanDerWaalsContact O-CB 3.25Å; P114-C117 WeakPolarHBondContact O-CB 3.38Å; P114-C117 PolarHBondContact O-N 3.43Å; P114-C117 VanDerWaalsContact O-N 3.17Å; P115-C117 PolarHBondContact O-N 2.84Å; C117-V127 VanDerWaalsContact CA-O 3.28Å; C117-V127 WeakPolarHBondContact CA-O 3.46Å; C117-V127 PolarHBondContact SG-O 2.89Å
118S94.5Very high92.5Very high22 Ų2237.8 Ų37.815%0.15421%0.208CC..EExtended strand (participates in β ladder)trans-148.5154.7169.6-64.50000111.3C126 V127 N218S118-C126 WeakPolarHBondContact O-CA 3.22Å; S118-V127 PolarHBondContact N-O 3.44Å; S118-V127 VanDerWaalsContact N-O 3.15Å; S118-V127 PolarHBondContact O-N 2.75Å; S118-N218 PolarHBondContact OG-ND2 3.31Å; S118-N218 VanDerWaalsContact OG-ND2 3.08Å
119H95.3Very high92.8Very high41 Ų4135.9 Ų35.919%0.1920%0.195CC..EExtended strand (participates in β ladder)trans-89.6127.8176.6179.396.8000109.5C109 N125C109-H119 PolarHBondContact SG-ND1 3.34Å; C109-H119 VanDerWaalsContact SG-ND1 3.42Å; H119-N125 WeakPolarHBondContact CA-O 3.32Å
120C96.3Very high93.1Very high7 Ų737.1 Ų37.15%0.04720%0.2CC..EExtended strand (participates in β ladder)trans-101.7112.5172.6179.80000110.3V122 C123 D124 N125 F130 C140C120-V122 VanDerWaalsContact C-N 3.26Å; C120-V122 PolarHBondContact O-N 3.42Å; C120-C123 HydrophobicContact CB-CB 4.36Å; C120-C123 CarbonylContact O-C 3.54Å; C120-C123 PolarHBondContact O-N 2.98Å; C120-D124 WeakPolarHBondContact O-CA 3.41Å; C120-D124 PolarHBondContact O-N 3.08Å; C120-N125 PolarHBondContact N-O 2.8Å; C120-N125 PolarHBondContact O-N 2.91Å; C120-F130 HydrophobicContact CB-CE2 3.85Å; C120-F130 HydrophobicContact CB-CZ 4.24Å; C120-C140 VanDerWaalsContact CB-SG 3.57Å
121S93.7Very high93.6Very high102 Ų10234.1 Ų34.171%0.71319%0.187SC*.THydrogen-bonded Turntrans-65.9-22.9178.952.10000114.3
122V93.1Very high94Very high67 Ų6734.3 Ų34.341%0.40619%0.188SC..THydrogen-bonded Turntrans-74.3-34.8177.9-1730000111.7K13 C120 H133K13-V122 PolarHBondContact NZ-O 3.22Å; C120-V122 VanDerWaalsContact C-N 3.26Å; C120-V122 PolarHBondContact O-N 3.42Å; V122-H133 WeakPolarHBondContact CG1-NE2 3.49Å
123C92.9Very high94.4Very high39 Ų3934 Ų3426%0.26419%0.188SC..THydrogen-bonded Turntrans-97.3-9.2176-71.80000113.4C120 N125 H133 C140C120-C123 HydrophobicContact CB-CB 4.36Å; C120-C123 CarbonylContact O-C 3.54Å; C120-C123 PolarHBondContact O-N 2.98Å; C123-N125 VanDerWaalsContact C-N 3.33Å; C123-N125 PolarHBondContact O-N 2.98Å; C123-N125 PolarHBondContact O-ND2 3.25Å; C123-H133 VanDerWaalsContact SG-CE1 3.52Å; C123-H133 PolarHBondContact SG-ND1 3.46Å; C123-C140 PolarHBondContact SG-SG 2.9Å
124D93.9Very high94.7Very high46 Ų4631.6 Ų31.625%0.24618%0.18CC..THydrogen-bonded Turntrans56.343.2179.3-178.330.9000112.5K7 R75 C120K7-D124 IonicContact NZ-OD2 2.85Å; K7-D124 PolarHBondContact NZ-OD2 3.17Å; R75-D124 IonicContact CZ-OD1 2.72Å; R75-D124 PolarHBondContact NH2-O 3.33Å; R75-D124 IonicContact NH2-OD1 2.77Å; R75-D124 PolarHBondContact NH2-OD1 2.8Å; R75-D124 IonicContact NH2-OD2 3.72Å; R75-D124 PolarHBondContact NH2-OD2 3.44Å; C120-D124 WeakPolarHBondContact O-CA 3.41Å; C120-D124 PolarHBondContact O-N 3.08Å
125N94.1Very high95Very high43 Ų4333 Ų3323%0.2319%0.189CC..EExtended strand (participates in β ladder)trans-152.7151.4-173.5-81.4-72.8000113.2I72 H119 C120 C123I72-N125 HydrophobicContact CG1-CB 4.48Å; I72-N125 HydrophobicContact CG2-CB 4.1Å; H119-N125 WeakPolarHBondContact CA-O 3.32Å; C120-N125 PolarHBondContact N-O 2.8Å; C120-N125 PolarHBondContact O-N 2.91Å; C123-N125 VanDerWaalsContact C-N 3.33Å; C123-N125 PolarHBondContact O-N 2.98Å; C123-N125 PolarHBondContact O-ND2 3.25Å
126C95.6Very high95.3Very high0 Ų037.6 Ų37.60%020%0.202CC..EExtended strand (participates in β ladder)trans-84.2132.6166.2-80.70000111I72 Y73 C106 F111 S118I72-C126 WeakPolarHBondContact CA-O 3.12Å; Y73-C126 PolarHBondContact N-O 3.04Å; C106-C126 VanDerWaalsContact SG-SG 3.63Å; F111-C126 HydrophobicContact CE1-CB 3.94Å; F111-C126 HydrophobicContact CE2-CB 4.49Å; F111-C126 HydrophobicContact CZ-CB 3.46Å; F111-C126 VanDerWaalsContact CZ-CB 3.46Å; S118-C126 WeakPolarHBondContact O-CA 3.22Å
127V96.8Very high95.6Very high1 Ų136 Ų361%0.00620%0.196CC..EExtended strand (participates in β ladder)trans-124.4134.1-176.2-179.90000110.4P70 G71 I72 C117 S118 F130 C140P70-V127 HydrophobicContact CB-CG1 4.03Å; P70-V127 HydrophobicContact CG-CG1 4.16Å; P70-V127 HydrophobicContact CG-CG2 4.33Å; G71-V127 CarbonylContact O-C 3.6Å; G71-V127 WeakPolarHBondContact O-CA 3.24Å; I72-V127 HydrophobicContact CG1-CG2 4.37Å; C117-V127 VanDerWaalsContact CA-O 3.28Å; C117-V127 WeakPolarHBondContact CA-O 3.46Å; C117-V127 PolarHBondContact SG-O 2.89Å; S118-V127 PolarHBondContact N-O 3.44Å; S118-V127 VanDerWaalsContact N-O 3.15Å; S118-V127 PolarHBondContact O-N 2.75Å; V127-F130 HydrophobicContact CB-CB 4.22Å; V127-F130 HydrophobicContact CB-CD2 4.05Å; V127-F130 HydrophobicContact CG1-CB 4.46Å; V127-F130 HydrophobicContact CG1-CD2 4.36Å; V127-C140 HydrophobicContact CG2-CB 4.12Å
128E95.4Very high95.7Very high34 Ų3437.4 Ų37.416%0.15920%0.203CC..THydrogen-bonded Turntrans-68.9141.5173.7-168.8-171.2-160.400111.9G71 Y73 F130 G142 R143 Y252G71-E128 PolarHBondContact O-N 3.07Å; Y73-E128 HydrophobicContact CD2-CB 4.45Å; Y73-E128 HydrophobicContact CE2-CB 3.69Å; Y73-E128 HydrophobicContact CE2-CG 4.14Å; E128-F130 PolarHBondContact O-N 2.84Å; E128-F130 VanDerWaalsContact O-N 3.11Å; E128-G142 WeakPolarHBondContact O-CA 3.34Å; E128-R143 HydrophobicContact CB-CB 3.93Å; E128-R143 HydrophobicContact CG-CB 3.77Å; E128-R143 HydrophobicContact CG-CG 4.2Å; E128-R143 PolarHBondContact O-N 2.83Å; E128-R143 VanDerWaalsContact OE2-CB 3.27Å; E128-R143 WeakPolarHBondContact OE2-CB 3.31Å; E128-R143 VanDerWaalsContact OE2-CG 3.23Å; E128-R143 WeakPolarHBondContact OE2-CG 3.39Å; E128-Y252 VanDerWaalsContact CD-OH 3.29Å; E128-Y252 PolarHBondContact OE1-OH 2.83Å; E128-Y252 VanDerWaalsContact OE1-OH 3.13Å; E128-Y252 PolarHBondContact OE2-OH 2.91Å; E128-Y252 VanDerWaalsContact OE2-OH 3.14Å
129D94.9Very high95.8Very high24 Ų2437.4 Ų37.413%0.12820%0.201CC..THydrogen-bonded Turntrans40.644.5-171.9-74.4-8.3000113.1R116 D131 R143R116-D129 VanDerWaalsContact CB-OD1 3.24Å; R116-D129 WeakPolarHBondContact CB-OD1 3.39Å; R116-D129 VanDerWaalsContact CD-OD1 3.23Å; R116-D129 WeakPolarHBondContact CD-OD1 3.47Å; R116-D129 IonicContact CZ-OD1 2.77Å; R116-D129 IonicContact NE-OD1 3.59Å; R116-D129 IonicContact NH1-OD1 3.61Å; R116-D129 PolarHBondContact NH1-OD1 2.71Å; R116-D129 VanDerWaalsContact NH1-OD1 3.09Å; R116-D129 IonicContact NH1-OD2 3.7Å; R116-D129 PolarHBondContact NH1-OD2 2.95Å; D129-D131 PolarHBondContact O-N 2.88Å; D129-D131 VanDerWaalsContact O-N 3.11Å; D129-R143 HydrophobicContact CB-CB 3.92Å; D129-R143 WeakPolarHBondContact OD2-CD 3.42Å
130F96.7Very high95.9Very high27 Ų2735.5 Ų35.512%0.11819%0.192CC..  trans-59.5118.8-173.9174.1-97.8000111.2R116 C120 V127 E128 H132 C140 N218R116-F130 PolarHBondContact O-N 3.07Å; C120-F130 HydrophobicContact CB-CE2 3.85Å; C120-F130 HydrophobicContact CB-CZ 4.24Å; V127-F130 HydrophobicContact CB-CB 4.22Å; V127-F130 HydrophobicContact CB-CD2 4.05Å; V127-F130 HydrophobicContact CG1-CB 4.46Å; V127-F130 HydrophobicContact CG1-CD2 4.36Å; E128-F130 PolarHBondContact O-N 2.84Å; E128-F130 VanDerWaalsContact O-N 3.11Å; F130-H132 VanDerWaalsContact CE2-C 3.47Å; F130-H132 WeakPolarHBondContact CE2-O 3.5Å; F130-H132 VanDerWaalsContact CZ-C 3.42Å; F130-C140 HydrophobicContact CD2-CB 4.41Å; F130-C140 HydrophobicContact CE2-CB 4.2Å; F130-N218 HydrophobicContact CD1-CB 4.34Å; F130-N218 WeakPolarHBondContact O-CB 3.21Å; F130-N218 PolarHBondContact O-ND2 3.05Å
131D97.3Very high96Very high2 Ų235.1 Ų35.11%0.01119%0.19CC..  trans-94.6-60.5-179.2-168.586.3000111.5D129 I141 Y146 H207 T216 T217 N218D129-D131 PolarHBondContact O-N 2.88Å; D129-D131 VanDerWaalsContact O-N 3.11Å; D131-I141 HydrophobicContact CB-CB 4.29Å; D131-I141 HydrophobicContact CB-CG2 4.25Å; D131-I141 PolarHBondContact N-O 3.2Å; D131-Y146 HydrophobicContact CB-CD2 4.04Å; D131-Y146 HydrophobicContact CB-CE2 4.13Å; D131-Y146 WeakPolarHBondContact OD1-CE2 3.47Å; D131-H207 IonicContact OD2-CE1 2.77Å; D131-T216 HydrophobicContact CB-CG2 4.23Å; D131-T216 WeakPolarHBondContact OD1-CA 3.46Å; D131-T216 WeakPolarHBondContact OD1-CB 3.39Å; D131-T217 PolarHBondContact OD1-N 3.22Å; D131-T217 PolarHBondContact OD1-OG1 3.34Å; D131-T217 WeakPolarHBondContact OD2-CB 3.41Å; D131-T217 PolarHBondContact OD2-OG1 2.97Å; D131-N218 WeakPolarHBondContact O-CB 3.31Å; D131-N218 PolarHBondContact O-N 3.24Å; D131-N218 VanDerWaalsContact O-N 3.13Å
132H97.4Very high96.2Very high39 Ų3930.3 Ų30.318%0.18116%0.156CC..EExtended strand (participates in β ladder)trans-161.3175.3172.864.9-80.8000111.3F130 C134 I141 F149F130-H132 VanDerWaalsContact CE2-C 3.47Å; F130-H132 WeakPolarHBondContact CE2-O 3.5Å; F130-H132 VanDerWaalsContact CZ-C 3.42Å; H132-C134 WeakPolarHBondContact NE2-CB 3.35Å; H132-I141 PolarHBondContact O-N 2.94Å; H132-F149 AromaticContact CE1-CE1 3.72Å; H132-F149 AromaticContact CE1-CZ 3.55Å; H132-F149 AromaticContact NE2-CZ 3.81Å
133H97.5Very high96.3Very high41 Ų4129 Ų2919%0.1914%0.144CC..EExtended strand (participates in β ladder)trans-101.7128.1162.3176.683.1000108.9V122 C123 N139V122-H133 WeakPolarHBondContact CG1-NE2 3.49Å; C123-H133 VanDerWaalsContact SG-CE1 3.52Å; C123-H133 PolarHBondContact SG-ND1 3.46Å; H133-N139 PolarHBondContact ND1-O 2.94Å
134C97.4Very high96.5Very high10 Ų1028.4 Ų28.47%0.06814%0.136CC..EExtended strand (participates in β ladder)trans-113108.2-172.7-170.80000110.6H132 W136 V137 N138 N139 I141H132-C134 WeakPolarHBondContact NE2-CB 3.35Å; C134-W136 VanDerWaalsContact C-N 3.25Å; C134-W136 PolarHBondContact O-N 2.97Å; C134-V137 HydrophobicContact CB-CG2 3.7Å; C134-V137 PolarHBondContact O-N 3.13Å; C134-N138 PolarHBondContact O-N 2.7Å; C134-N139 PolarHBondContact N-O 3.24Å; C134-N139 PolarHBondContact O-N 3.44Å; C134-I141 HydrophobicContact CB-CD1 4.24Å; C134-I141 HydrophobicContact CB-CG1 4.07Å
135P96.4Very high96.6Very high63 Ų6326.2 Ų26.241%0.40913%0.125SC..G310 helixtrans-60.3-34.1178.3-2535.1000113.2P16 V137 N138P16-P135 HydrophobicContact CB-CB 4.1Å; P16-P135 HydrophobicContact CG-CB 4.14Å; P135-V137 PolarHBondContact O-N 3.16Å; P135-N138 PolarHBondContact O-N 3Å
136W96.9Very high96.8Very high137 Ų13725.4 Ų25.452%0.51912%0.118SC..G310 helixtrans-65.9-18.4-178.3-58.1115000114.5P16 V17 A20 C134P16-W136 HydrophobicContact CB-CE3 3.99Å; P16-W136 HydrophobicContact CB-CZ3 4.29Å; V17-W136 WeakPolarHBondContact CA-O 3.4Å; V17-W136 WeakPolarHBondContact CB-O 3.38Å; V17-W136 WeakPolarHBondContact CG2-O 3.03Å; A20-W136 HydrophobicContact CB-CE3 4.15Å; C134-W136 VanDerWaalsContact C-N 3.25Å; C134-W136 PolarHBondContact O-N 2.97Å
137V97.1Very high96.8Very high1 Ų127.7 Ų27.71%0.00613%0.127CC..G310 helixtrans-118.68168.1-620000112.3F62 A65 T66 C134 P135 N139 I141F62-V137 HydrophobicContact CD2-CG1 3.99Å; F62-V137 HydrophobicContact CE2-CG1 3.85Å; A65-V137 HydrophobicContact CB-CG1 4.27Å; T66-V137 WeakPolarHBondContact CG2-O 3.25Å; T66-V137 WeakPolarHBondContact OG1-CB 3.36Å; C134-V137 HydrophobicContact CB-CG2 3.7Å; C134-V137 PolarHBondContact O-N 3.13Å; P135-V137 PolarHBondContact O-N 3.16Å; V137-N139 HydrophobicContact CG2-CB 4.22Å; V137-N139 WeakPolarHBondContact O-CB 3.43Å; V137-N139 PolarHBondContact O-N 2.75Å; V137-I141 HydrophobicContact CG2-CD1 3.92Å
138N96.4Very high96.9Very high39 Ų3929.6 Ų29.621%0.20913%0.134CC..THydrogen-bonded Turntrans44.935.5-177.8-170.526.7000114.5K13 Y14 V17 C134 P135K13-N138 PolarHBondContact O-OD1 2.91Å; Y14-N138 WeakPolarHBondContact CD1-ND2 3.28Å; Y14-N138 VanDerWaalsContact CE1-ND2 3.32Å; Y14-N138 WeakPolarHBondContact CE1-ND2 3.42Å; V17-N138 HydrophobicContact CB-CB 4.07Å; V17-N138 HydrophobicContact CG1-CB 3.63Å; C134-N138 PolarHBondContact O-N 2.7Å; P135-N138 PolarHBondContact O-N 3Å
139N97.1Very high97Very high22 Ų2228.1 Ų28.112%0.11813%0.127CC..EExtended strand (participates in β ladder)trans-143.8161.4-172.3-164.56.7000111A65 T66 M68 H133 C134 V137 N145A65-N139 PolarHBondContact O-ND2 3.26Å; T66-N139 PolarHBondContact O-ND2 3.43Å; M68-N139 PolarHBondContact O-ND2 2.93Å; H133-N139 PolarHBondContact ND1-O 2.94Å; C134-N139 PolarHBondContact N-O 3.24Å; C134-N139 PolarHBondContact O-N 3.44Å; V137-N139 HydrophobicContact CG2-CB 4.22Å; V137-N139 WeakPolarHBondContact O-CB 3.43Å; V137-N139 PolarHBondContact O-N 2.75Å; N139-N145 PolarHBondContact ND2-ND2 2.84Å
140C97.8Very high97.2Very high1 Ų127.3 Ų27.31%0.00712%0.123CC..EExtended strand (participates in β ladder)trans-75.5148.8163.3-70.20000110.4P70 C120 C123 V127 F130 N145P70-C140 HydrophobicContact CB-CB 4.25Å; P70-C140 WeakPolarHBondContact CB-O 3.47Å; P70-C140 HydrophobicContact CG-CB 4.06Å; C120-C140 VanDerWaalsContact CB-SG 3.57Å; C123-C140 PolarHBondContact SG-SG 2.9Å; V127-C140 HydrophobicContact CG2-CB 4.12Å; F130-C140 HydrophobicContact CD2-CB 4.41Å; F130-C140 HydrophobicContact CE2-CB 4.2Å; C140-N145 PolarHBondContact O-ND2 2.91Å
141I98.3Very high97.2Very high0 Ų028 Ų280%013%0.128CC..EExtended strand (participates in β ladder)trans-101.3122.9166.4-50-52.1000107.4D131 H132 C134 V137 N145 Y146 F149D131-I141 HydrophobicContact CB-CB 4.29Å; D131-I141 HydrophobicContact CB-CG2 4.25Å; D131-I141 PolarHBondContact N-O 3.2Å; H132-I141 PolarHBondContact O-N 2.94Å; C134-I141 HydrophobicContact CB-CD1 4.24Å; C134-I141 HydrophobicContact CB-CG1 4.07Å; V137-I141 HydrophobicContact CG2-CD1 3.92Å; I141-N145 WeakPolarHBondContact CA-OD1 3.21Å; I141-Y146 HydrophobicContact CG2-CD2 3.73Å; I141-Y146 HydrophobicContact CG2-CG 4.28Å; I141-F149 HydrophobicContact CD1-CB 4Å; I141-F149 HydrophobicContact CD1-CD2 3.63Å; I141-F149 HydrophobicContact CD1-CE2 4.3Å; I141-F149 HydrophobicContact CD1-CG 3.84Å; I141-F149 HydrophobicContact CG1-CD1 4.4Å; I141-F149 HydrophobicContact CG1-CD2 3.99Å; I141-F149 HydrophobicContact CG1-CE2 4.3Å; I141-F149 HydrophobicContact CG1-CG 4.04Å; I141-F149 HydrophobicContact CG2-CB 4.04Å; I141-F149 HydrophobicContact CG2-CD1 3.96Å; I141-F149 HydrophobicContact CG2-CG 4.01Å
142G96.8Very high97.3Very high1 Ų129 Ų291%0.0113%0.132CC..  trans-155.5-171.5-175.300000112.6P70 E128 R144 N145 Y146P70-G142 CarbonylContact O-C 3.48Å; E128-G142 WeakPolarHBondContact O-CA 3.34Å; G142-R144 PolarHBondContact O-N 3.11Å; G142-N145 PolarHBondContact N-OD1 3.11Å; G142-N145 PolarHBondContact O-N 3.31Å; G142-N145 VanDerWaalsContact O-N 3.16Å; G142-N145 PolarHBondContact O-OD1 2.91Å; G142-Y146 WeakPolarHBondContact O-CB 3.43Å; G142-Y146 PolarHBondContact O-N 2.88Å
143R95.9Very high97.3Very high39 Ų3927.4 Ų27.415%0.14712%0.124CC..THydrogen-bonded Turntrans-46.4-39.4-167.9-179.558.5-170.692.7-10.2115.1P70 E128 D129 Y242 S246 A249P70-R143 PolarHBondContact O-N 3.37Å; P70-R143 VanDerWaalsContact O-N 3.13Å; E128-R143 HydrophobicContact CB-CB 3.93Å; E128-R143 HydrophobicContact CG-CB 3.77Å; E128-R143 HydrophobicContact CG-CG 4.2Å; E128-R143 PolarHBondContact O-N 2.83Å; E128-R143 VanDerWaalsContact OE2-CB 3.27Å; E128-R143 WeakPolarHBondContact OE2-CB 3.31Å; E128-R143 VanDerWaalsContact OE2-CG 3.23Å; E128-R143 WeakPolarHBondContact OE2-CG 3.39Å; D129-R143 HydrophobicContact CB-CB 3.92Å; D129-R143 WeakPolarHBondContact OD2-CD 3.42Å; R143-Y242 PolarHBondContact NE-OH 3.31Å; R143-Y242 VanDerWaalsContact NE-OH 3.1Å; R143-Y242 PolarHBondContact NH2-OH 2.88Å; R143-S246 PolarHBondContact NH2-OG 2.92Å; R143-A249 HydrophobicContact CG-CB 3.69Å
144R96Very high97.4Very high27 Ų2728.6 Ų28.610%0.10213%0.132CC..THydrogen-bonded Turntrans-83.3-39-174.1-67.717754.18216.3113.4M68 D69 P70 G142 L248 A249 P250M68-R144 HydrophobicContact SD-CB 4.47Å; D69-R144 WeakPolarHBondContact O-CB 3.39Å; D69-R144 VanDerWaalsContact O-CD 3.24Å; D69-R144 WeakPolarHBondContact O-CD 3.31Å; D69-R144 PolarHBondContact O-NE 3.09Å; P70-R144 PolarHBondContact O-N 2.85Å; G142-R144 PolarHBondContact O-N 3.11Å; R144-L248 HydrophobicContact CB-CD1 4.26Å; R144-A249 HydrophobicContact CG-CB 4.1Å; R144-A249 PolarHBondContact NH1-O 2.89Å; R144-P250 WeakPolarHBondContact CD-O 3.45Å; R144-P250 PolarHBondContact NH1-O 3.47Å
145N97.1Very high97.4Very high0 Ų028.6 Ų28.60%013%0.132CC..THydrogen-bonded Turntrans-105.4-11.3-172.172.3-20.1000114.8A65 M68 P70 N139 C140 I141 G142 R147 Y148 F149A65-N145 PolarHBondContact O-ND2 2.91Å; M68-N145 HydrophobicContact CB-CB 4.08Å; M68-N145 HydrophobicContact CG-CB 4.25Å; P70-N145 WeakPolarHBondContact CB-OD1 3.18Å; N139-N145 PolarHBondContact ND2-ND2 2.84Å; C140-N145 PolarHBondContact O-ND2 2.91Å; I141-N145 WeakPolarHBondContact CA-OD1 3.21Å; G142-N145 PolarHBondContact N-OD1 3.11Å; G142-N145 PolarHBondContact O-N 3.31Å; G142-N145 VanDerWaalsContact O-N 3.16Å; G142-N145 PolarHBondContact O-OD1 2.91Å; N145-R147 PolarHBondContact O-N 3.28Å; N145-R147 VanDerWaalsContact O-N 3.15Å; N145-Y148 PolarHBondContact O-N 3.08Å; N145-F149 PolarHBondContact O-N 3.13Å; N145-F149 VanDerWaalsContact O-N 3.1Å
146Y97.6Very high97.5Very high25 Ų2526.4 Ų26.410%0.09812%0.117CC..Hα-helixtrans-50.1-42.1179.2-172.7-78.1000113.1D131 I141 G142 Y148 F149 F150 H207 V211 V243D131-Y146 HydrophobicContact CB-CD2 4.04Å; D131-Y146 HydrophobicContact CB-CE2 4.13Å; D131-Y146 WeakPolarHBondContact OD1-CE2 3.47Å; I141-Y146 HydrophobicContact CG2-CD2 3.73Å; I141-Y146 HydrophobicContact CG2-CG 4.28Å; G142-Y146 WeakPolarHBondContact O-CB 3.43Å; G142-Y146 PolarHBondContact O-N 2.88Å; Y146-Y148 VanDerWaalsContact C-N 3.31Å; Y146-Y148 PolarHBondContact O-N 3.4Å; Y146-F149 PolarHBondContact O-N 3.44Å; Y146-F150 HydrophobicContact CD1-CB 4.33Å; Y146-F150 HydrophobicContact CE1-CB 4.06Å; Y146-F150 HydrophobicContact CE1-CG 4.5Å; Y146-F150 WeakPolarHBondContact O-CB 3.12Å; Y146-F150 PolarHBondContact O-N 2.77Å; Y146-H207 AromaticContact CZ-ND1 3.88Å; Y146-H207 PolarHBondContact OH-ND1 3.25Å; Y146-H207 VanDerWaalsContact OH-ND1 3.16Å; Y146-V211 HydrophobicContact CE1-CG2 3.8Å; Y146-V243 HydrophobicContact CD1-CG1 3.92Å; Y146-V243 HydrophobicContact CE1-CG1 3.96Å; Y146-V243 HydrophobicContact CE1-CG2 4.37Å
147R96.9Very high97.6Very high49 Ų4920.3 Ų20.319%0.18510%0.095CC..Hα-helixtrans-59.8-39.1179.773.5-177.2-176.2-177.54.4113.1N145 L151 V243 S246N145-R147 PolarHBondContact O-N 3.28Å; N145-R147 VanDerWaalsContact O-N 3.15Å; R147-L151 WeakPolarHBondContact O-CB 3.26Å; R147-L151 VanDerWaalsContact O-CG 3.29Å; R147-L151 WeakPolarHBondContact O-CG 3.45Å; R147-L151 PolarHBondContact O-N 3.1Å; R147-V243 WeakPolarHBondContact CB-O 3.29Å; R147-S246 PolarHBondContact NH1-O 2.85Å
148Y97.9Very high97.7Very high40 Ų4022.9 Ų22.916%0.15711%0.111CC..Hα-helixtrans-74.8-36.7178-61.2-72.4000111.4M64 M68 N145 Y146 F152M64-Y148 HydrophobicContact CB-CD1 3.66Å; M64-Y148 HydrophobicContact CB-CD2 4.03Å; M64-Y148 HydrophobicContact CB-CE1 4.2Å; M64-Y148 HydrophobicContact CB-CG 3.55Å; M64-Y148 HydrophobicContact CE-CD1 4.48Å; M64-Y148 HydrophobicContact CE-CE1 3.79Å; M64-Y148 HydrophobicContact CE-CE2 3.96Å; M64-Y148 VanDerWaalsContact CE-CZ 3.48Å; M64-Y148 WeakPolarHBondContact CE-OH 3.44Å; M64-Y148 HydrophobicContact CG-CD1 4.12Å; M64-Y148 HydrophobicContact CG-CE1 4.24Å; M64-Y148 HydrophobicContact CG-CG 4.46Å; M68-Y148 HydrophobicContact CE-CD2 4.39Å; M68-Y148 HydrophobicContact CE-CE2 3.69Å; M68-Y148 HydrophobicContact SD-CD2 4.02Å; M68-Y148 HydrophobicContact SD-CE2 3.65Å; N145-Y148 PolarHBondContact O-N 3.08Å; Y146-Y148 VanDerWaalsContact C-N 3.31Å; Y146-Y148 PolarHBondContact O-N 3.4Å; Y148-F152 WeakPolarHBondContact O-CB 3.3Å; Y148-F152 PolarHBondContact O-N 2.6Å
149F98.2Very high97.8Very high3 Ų321.3 Ų21.31%0.01310%0.102CC..Hα-helixtrans-63.1-43.6172.6174.1-97.1000112.2A65 H132 I141 N145 Y146 F152 L153 H207A65-F149 HydrophobicContact CB-CB 4.18Å; H132-F149 AromaticContact CE1-CE1 3.72Å; H132-F149 AromaticContact CE1-CZ 3.55Å; H132-F149 AromaticContact NE2-CZ 3.81Å; I141-F149 HydrophobicContact CD1-CB 4Å; I141-F149 HydrophobicContact CD1-CD2 3.63Å; I141-F149 HydrophobicContact CD1-CE2 4.3Å; I141-F149 HydrophobicContact CD1-CG 3.84Å; I141-F149 HydrophobicContact CG1-CD1 4.4Å; I141-F149 HydrophobicContact CG1-CD2 3.99Å; I141-F149 HydrophobicContact CG1-CE2 4.3Å; I141-F149 HydrophobicContact CG1-CG 4.04Å; I141-F149 HydrophobicContact CG2-CB 4.04Å; I141-F149 HydrophobicContact CG2-CD1 3.96Å; I141-F149 HydrophobicContact CG2-CG 4.01Å; N145-F149 PolarHBondContact O-N 3.13Å; N145-F149 VanDerWaalsContact O-N 3.1Å; Y146-F149 PolarHBondContact O-N 3.44Å; F149-F152 WeakPolarHBondContact O-CB 3.37Å; F149-F152 PolarHBondContact O-N 2.92Å; F149-L153 HydrophobicContact CD1-CD1 4.25Å; F149-L153 HydrophobicContact CE1-CD1 3.55Å; F149-L153 HydrophobicContact CE1-CG 4.25Å; F149-L153 HydrophobicContact CZ-CD1 3.72Å; F149-L153 HydrophobicContact CZ-CD2 4.45Å; F149-L153 HydrophobicContact CZ-CG 4.16Å; F149-L153 WeakPolarHBondContact O-CG 3.42Å; F149-L153 PolarHBondContact O-N 3.24Å; F149-H207 AromaticContact CE1-CD2 3.98Å; F149-H207 AromaticContact CE1-CE1 3.74Å; F149-H207 AromaticContact CE1-NE2 3.62Å
150F98.1Very high97.8Very high7 Ų721.5 Ų21.53%0.03110%0.103CC..Hα-helixtrans-66.2-44.4176.8178.5-113.5000112.5Y146 F152 L153 L154 H207 M208 V211 V243 L244Y146-F150 HydrophobicContact CD1-CB 4.33Å; Y146-F150 HydrophobicContact CE1-CB 4.06Å; Y146-F150 HydrophobicContact CE1-CG 4.5Å; Y146-F150 WeakPolarHBondContact O-CB 3.12Å; Y146-F150 PolarHBondContact O-N 2.77Å; F150-F152 VanDerWaalsContact C-N 3.34Å; F150-L153 PolarHBondContact O-N 2.83Å; F150-L154 PolarHBondContact O-N 3.41Å; F150-H207 HydrophobicContact CD2-CB 4.16Å; F150-H207 HydrophobicContact CE2-CB 4.45Å; F150-M208 HydrophobicContact CE2-CE 3.96Å; F150-M208 HydrophobicContact CE2-CG 4.37Å; F150-M208 HydrophobicContact CE2-SD 3.85Å; F150-M208 HydrophobicContact CZ-CE 3.71Å; F150-M208 HydrophobicContact CZ-SD 3.57Å; F150-M208 VanDerWaalsContact CZ-SD 3.57Å; F150-V211 HydrophobicContact CD2-CG2 3.98Å; F150-V211 HydrophobicContact CE1-CG2 4.46Å; F150-V211 HydrophobicContact CE2-CB 4.47Å; F150-V211 HydrophobicContact CE2-CG2 3.82Å; F150-V211 HydrophobicContact CG-CG2 4.37Å; F150-V211 HydrophobicContact CZ-CB 4.42Å; F150-V211 HydrophobicContact CZ-CG2 4.06Å; F150-V243 HydrophobicContact CD1-CG1 4.01Å; F150-V243 HydrophobicContact CG-CG1 4.48Å; F150-L244 HydrophobicContact CD1-CD2 3.86Å; F150-L244 HydrophobicContact CE1-CD2 3.97Å
151L98.1Very high97.8Very high42 Ų4224.6 Ų24.622%0.2212%0.121CC..Hα-helixtrans-65.8-34.7174-74.3171000112.5F57 N61 R147 S155 L244F57-L151 HydrophobicContact CE1-CB 4.41Å; F57-L151 HydrophobicContact CZ-CB 4.46Å; F57-L151 HydrophobicContact CZ-CD1 4.38Å; F57-L151 HydrophobicContact CZ-CD2 4.32Å; N61-L151 WeakPolarHBondContact OD1-CB 3.37Å; R147-L151 WeakPolarHBondContact O-CB 3.26Å; R147-L151 VanDerWaalsContact O-CG 3.29Å; R147-L151 WeakPolarHBondContact O-CG 3.45Å; R147-L151 PolarHBondContact O-N 3.1Å; L151-S155 VanDerWaalsContact O-CB 3.31Å; L151-S155 WeakPolarHBondContact O-CB 3.24Å; L151-S155 PolarHBondContact O-N 3.08Å; L151-S155 PolarHBondContact O-OG 3.48Å; L151-L244 HydrophobicContact CD1-CD2 4.47Å; L151-L244 HydrophobicContact CD2-CD2 3.86Å; L151-L244 HydrophobicContact CG-CD2 4.07Å
152F98.5Very high97.8Very high23 Ų2324.9 Ų24.910%0.10113%0.125CC..Hα-helixtrans-60.1-50.6171.3161.6-111.7000111.1V58 N61 F62 Y148 F149 F150 S155 L156V58-F152 HydrophobicContact CG1-CD2 3.98Å; V58-F152 HydrophobicContact CG1-CE2 4.02Å; N61-F152 HydrophobicContact CB-CB 3.8Å; F62-F152 HydrophobicContact CB-CD2 3.66Å; F62-F152 HydrophobicContact CB-CE2 3.76Å; F62-F152 HydrophobicContact CB-CG 4.43Å; F62-F152 HydrophobicContact CD2-CD2 4.23Å; F62-F152 HydrophobicContact CD2-CE1 4.3Å; F62-F152 AromaticContact CD2-CE2 3.65Å; F62-F152 HydrophobicContact CD2-CE2 3.65Å; F62-F152 AromaticContact CD2-CZ 3.68Å; F62-F152 HydrophobicContact CD2-CZ 3.68Å; F62-F152 HydrophobicContact CE2-CZ 4.4Å; F62-F152 HydrophobicContact CG-CD2 4.43Å; F62-F152 HydrophobicContact CG-CE2 4.1Å; Y148-F152 WeakPolarHBondContact O-CB 3.3Å; Y148-F152 PolarHBondContact O-N 2.6Å; F149-F152 WeakPolarHBondContact O-CB 3.37Å; F149-F152 PolarHBondContact O-N 2.92Å; F150-F152 VanDerWaalsContact C-N 3.34Å; F152-S155 PolarHBondContact O-N 3.35Å; F152-S155 PolarHBondContact O-OG 3.23Å; F152-L156 HydrophobicContact CE1-CD2 4.43Å; F152-L156 HydrophobicContact CE2-CB 4.35Å; F152-L156 HydrophobicContact CE2-CD2 3.98Å; F152-L156 HydrophobicContact CZ-CD2 3.74Å; F152-L156 WeakPolarHBondContact O-CB 3.34Å; F152-L156 PolarHBondContact O-N 3.29Å
153L98.3Very high97.8Very high5 Ų525.1 Ų25.13%0.02613%0.126CC..Hα-helixtrans-57.7-52177.3-72.9-178.8000112F149 F150 S155 L156 S157 L203 T204 H207F149-L153 HydrophobicContact CD1-CD1 4.25Å; F149-L153 HydrophobicContact CE1-CD1 3.55Å; F149-L153 HydrophobicContact CE1-CG 4.25Å; F149-L153 HydrophobicContact CZ-CD1 3.72Å; F149-L153 HydrophobicContact CZ-CD2 4.45Å; F149-L153 HydrophobicContact CZ-CG 4.16Å; F149-L153 WeakPolarHBondContact O-CG 3.42Å; F149-L153 PolarHBondContact O-N 3.24Å; F150-L153 PolarHBondContact O-N 2.83Å; L153-S155 PolarHBondContact O-N 3.25Å; L153-L156 PolarHBondContact O-N 3.18Å; L153-S157 PolarHBondContact O-N 2.72Å; L153-S157 PolarHBondContact O-OG 3.2Å; L153-L203 HydrophobicContact CD1-CD2 4.3Å; L153-L203 HydrophobicContact CD1-CG 4Å; L153-L203 HydrophobicContact CD2-CD2 3.78Å; L153-L203 HydrophobicContact CD2-CG 4.18Å; L153-T204 HydrophobicContact CB-CG2 4.47Å; L153-H207 HydrophobicContact CD1-CB 4.2Å
154L98.2Very high97.9Very high67 Ų6727 Ų2735%0.35114%0.135SC..Hα-helixtrans-59.9-47.4-179.9175.358.1000112.5F150 S157 V158 M208F150-L154 PolarHBondContact O-N 3.41Å; L154-S157 WeakPolarHBondContact O-CB 3.22Å; L154-S157 PolarHBondContact O-N 2.97Å; L154-V158 WeakPolarHBondContact O-CG2 3.25Å; L154-V158 PolarHBondContact O-N 3.35Å; L154-V158 VanDerWaalsContact O-N 3.14Å; L154-M208 HydrophobicContact CB-CE 4.36Å; L154-M208 HydrophobicContact CD1-CE 3.76Å; L154-M208 HydrophobicContact CD2-CE 4.1Å; L154-M208 HydrophobicContact CG-CE 4.29Å
155S98.5Very high97.9Very high9 Ų928.4 Ų28.46%0.06315%0.149CC..Hα-helixtrans-71.6-32.3-179.956.70000112.8V58 L151 F152 L153 V158 H159V58-S155 WeakPolarHBondContact CG2-O 3.43Å; V58-S155 WeakPolarHBondContact CG2-OG 3.26Å; L151-S155 VanDerWaalsContact O-CB 3.31Å; L151-S155 WeakPolarHBondContact O-CB 3.24Å; L151-S155 PolarHBondContact O-N 3.08Å; L151-S155 PolarHBondContact O-OG 3.48Å; F152-S155 PolarHBondContact O-N 3.35Å; F152-S155 PolarHBondContact O-OG 3.23Å; L153-S155 PolarHBondContact O-N 3.25Å; S155-V158 PolarHBondContact O-N 3.03Å; S155-H159 WeakPolarHBondContact O-CB 3.2Å; S155-H159 PolarHBondContact O-N 2.94Å
156L98.4Very high98Very high18 Ų1830.5 Ų30.59%0.09416%0.158CC..Hα-helixtrans-65.8-41.2173.8-178.765.4000111.1L24 V58 F152 L153 H159 M160 V200L24-L156 HydrophobicContact CD1-CD1 3.95Å; V58-L156 HydrophobicContact CG1-CB 4.25Å; V58-L156 HydrophobicContact CG1-CD1 4.03Å; F152-L156 HydrophobicContact CE1-CD2 4.43Å; F152-L156 HydrophobicContact CE2-CB 4.35Å; F152-L156 HydrophobicContact CE2-CD2 3.98Å; F152-L156 HydrophobicContact CZ-CD2 3.74Å; F152-L156 WeakPolarHBondContact O-CB 3.34Å; F152-L156 PolarHBondContact O-N 3.29Å; L153-L156 PolarHBondContact O-N 3.18Å; L156-H159 PolarHBondContact O-N 2.86Å; L156-M160 HydrophobicContact CD1-CE 4.12Å; L156-M160 HydrophobicContact CD1-CG 4.46Å; L156-M160 HydrophobicContact CD2-CE 4.27Å; L156-M160 HydrophobicContact CG-CE 4.13Å; L156-M160 HydrophobicContact CG-SD 4.49Å; L156-M160 WeakPolarHBondContact O-CB 3.05Å; L156-M160 WeakPolarHBondContact O-CG 3.32Å; L156-M160 PolarHBondContact O-N 2.92Å; L156-V200 HydrophobicContact CD2-CG1 3.91Å; L156-V200 HydrophobicContact CD2-CG2 4.24Å; L156-V200 HydrophobicContact CG-CG1 4.13Å
157S98.4Very high98Very high8 Ų829.3 Ų29.36%0.05615%0.153CC..Hα-helixtrans-57.7-47.9171.7-80.50000112L153 L154 H159 M160 V161 M201 T204L153-S157 PolarHBondContact O-N 2.72Å; L153-S157 PolarHBondContact O-OG 3.2Å; L154-S157 WeakPolarHBondContact O-CB 3.22Å; L154-S157 PolarHBondContact O-N 2.97Å; S157-H159 VanDerWaalsContact C-N 3.35Å; S157-H159 PolarHBondContact O-N 3.38Å; S157-M160 PolarHBondContact O-N 3.48Å; S157-V161 WeakPolarHBondContact O-CG2 3.48Å; S157-V161 PolarHBondContact O-N 3.34Å; S157-M201 WeakPolarHBondContact CB-SD 3.39Å; S157-M201 PolarHBondContact OG-SD 3.44Å; S157-T204 PolarHBondContact OG-OG1 2.75Å
158V98.4Very high98Very high56 Ų5630.3 Ų30.334%0.33916%0.162SC..Hα-helixtrans-62.2-41.7176.3173.50000111.5Y50 V54 L154 S155 V161 G162Y50-V158 VanDerWaalsContact OH-CG1 3.27Å; Y50-V158 WeakPolarHBondContact OH-CG1 3.29Å; V54-V158 HydrophobicContact CG1-CG1 4.31Å; L154-V158 WeakPolarHBondContact O-CG2 3.25Å; L154-V158 PolarHBondContact O-N 3.35Å; L154-V158 VanDerWaalsContact O-N 3.14Å; S155-V158 PolarHBondContact O-N 3.03Å; V158-V161 PolarHBondContact O-N 3.01Å; V158-G162 PolarHBondContact O-N 3.1Å
159H98.5Very high97.9Very high6 Ų632 Ų323%0.02817%0.173CC..Hα-helixtrans-63.3-44.8176.9-169.357.4000112.5T28 V54 F55 V58 S155 L156 S157 G162 V163T28-H159 WeakPolarHBondContact CG2-NE2 3.49Å; T28-H159 PolarHBondContact OG1-NE2 3.34Å; V54-H159 HydrophobicContact CG1-CB 3.83Å; F55-H159 AromaticContact CD2-NE2 3.96Å; V58-H159 HydrophobicContact CG2-CB 4.06Å; S155-H159 WeakPolarHBondContact O-CB 3.2Å; S155-H159 PolarHBondContact O-N 2.94Å; L156-H159 PolarHBondContact O-N 2.86Å; S157-H159 VanDerWaalsContact C-N 3.35Å; S157-H159 PolarHBondContact O-N 3.38Å; H159-G162 PolarHBondContact O-N 3.35Å; H159-V163 WeakPolarHBondContact O-CB 3.11Å; H159-V163 WeakPolarHBondContact O-CG2 3.43Å; H159-V163 PolarHBondContact O-N 3.46Å
160M97.9Very high97.9Very high26 Ų2632.1 Ų32.113%0.12817%0.174CC..Hα-helixtrans-62.9-41.9176.6-75.9-174.6172.400112L156 S157 F164 F196 F197 V200L156-M160 HydrophobicContact CD1-CE 4.12Å; L156-M160 HydrophobicContact CD1-CG 4.46Å; L156-M160 HydrophobicContact CD2-CE 4.27Å; L156-M160 HydrophobicContact CG-CE 4.13Å; L156-M160 HydrophobicContact CG-SD 4.49Å; L156-M160 WeakPolarHBondContact O-CB 3.05Å; L156-M160 WeakPolarHBondContact O-CG 3.32Å; L156-M160 PolarHBondContact O-N 2.92Å; S157-M160 PolarHBondContact O-N 3.48Å; M160-F164 WeakPolarHBondContact O-CB 3.44Å; M160-F164 PolarHBondContact O-N 3.21Å; M160-F196 HydrophobicContact CE-CB 3.8Å; M160-F197 HydrophobicContact CB-CD2 4.44Å; M160-V200 HydrophobicContact CE-CG2 4.04Å; M160-V200 HydrophobicContact SD-CB 4.09Å; M160-V200 HydrophobicContact SD-CG1 4.13Å; M160-V200 HydrophobicContact SD-CG2 4.22Å
161V98.1Very high97.8Very high65 Ų6532.6 Ų32.639%0.39418%0.177SC..Hα-helixtrans-60.5-48172.9172.20000110.4S157 V158 F164 S165 F197S157-V161 WeakPolarHBondContact O-CG2 3.48Å; S157-V161 PolarHBondContact O-N 3.34Å; V158-V161 PolarHBondContact O-N 3.01Å; V161-F164 PolarHBondContact O-N 3.1Å; V161-S165 VanDerWaalsContact O-CB 3.26Å; V161-S165 WeakPolarHBondContact O-CB 3.29Å; V161-S165 PolarHBondContact O-N 3Å; V161-S165 PolarHBondContact O-OG 3.22Å; V161-F197 HydrophobicContact CG2-CE2 3.84Å; V161-F197 HydrophobicContact CG2-CZ 4.43Å
162G97.2Very high97.7Very high7 Ų735.3 Ų35.37%0.07219%0.191CC..Hα-helixtrans-57.6-56.8177.900000113V158 H159 F164 S165 F166V158-G162 PolarHBondContact O-N 3.1Å; H159-G162 PolarHBondContact O-N 3.35Å; G162-F164 VanDerWaalsContact C-N 3.33Å; G162-F164 PolarHBondContact O-N 2.86Å; G162-S165 PolarHBondContact O-N 2.93Å; G162-F166 WeakPolarHBondContact O-CB 3.28Å; G162-F166 WeakPolarHBondContact O-CD2 3.22Å; G162-F166 PolarHBondContact O-N 2.92Å
163V97.6Very high97.6Very high6 Ų639.9 Ų39.94%0.03621%0.212CC..Hα-helixtrans-57.8-43.7179.7170.70000111.5F31 H159 G167 V189F31-V163 HydrophobicContact CB-CG1 4.43Å; F31-V163 HydrophobicContact CD1-CG2 4.08Å; F31-V163 HydrophobicContact CD2-CG1 3.95Å; F31-V163 HydrophobicContact CE1-CG2 4.25Å; F31-V163 HydrophobicContact CE2-CG1 4.38Å; F31-V163 HydrophobicContact CG-CG1 4.15Å; F31-V163 HydrophobicContact CG-CG2 4.26Å; H159-V163 WeakPolarHBondContact O-CB 3.11Å; H159-V163 WeakPolarHBondContact O-CG2 3.43Å; H159-V163 PolarHBondContact O-N 3.46Å; V163-G167 WeakPolarHBondContact O-CA 3.36Å; V163-G167 PolarHBondContact O-N 2.83Å; V163-V189 HydrophobicContact CG1-CG1 3.7Å
164F97.6Very high97.4Very high79 Ų7941.6 Ų41.635%0.34622%0.22SC..Hα-helixtrans-68.6-44.8179.2-169.2-87.1000112.2M160 V161 G162 L168 M190M160-F164 WeakPolarHBondContact O-CB 3.44Å; M160-F164 PolarHBondContact O-N 3.21Å; V161-F164 PolarHBondContact O-N 3.1Å; G162-F164 VanDerWaalsContact C-N 3.33Å; G162-F164 PolarHBondContact O-N 2.86Å; F164-L168 VanDerWaalsContact O-CB 3.26Å; F164-L168 WeakPolarHBondContact O-CB 3.16Å; F164-L168 PolarHBondContact O-N 3.15Å; F164-M190 HydrophobicContact CD2-CB 4.18Å; F164-M190 HydrophobicContact CD2-CE 4.28Å; F164-M190 HydrophobicContact CD2-CG 4.43Å; F164-M190 HydrophobicContact CE1-CE 4.29Å; F164-M190 HydrophobicContact CE2-CB 4.23Å; F164-M190 HydrophobicContact CE2-CE 3.98Å; F164-M190 HydrophobicContact CZ-CE 3.98Å
165S97.4Very high97.2Very high55 Ų5546.6 Ų46.639%0.38524%0.235SC..Hα-helixtrans-67.1-47-179.5-65.90000112.7V161 G162 L168 I169V161-S165 VanDerWaalsContact O-CB 3.26Å; V161-S165 WeakPolarHBondContact O-CB 3.29Å; V161-S165 PolarHBondContact O-N 3Å; V161-S165 PolarHBondContact O-OG 3.22Å; G162-S165 PolarHBondContact O-N 2.93Å; S165-L168 PolarHBondContact O-N 2.9Å; S165-I169 WeakPolarHBondContact O-CG1 3.31Å; S165-I169 PolarHBondContact O-N 3.48Å
166F97.6Very high97Very high44 Ų4455.2 Ų55.219%0.19327%0.274CS..Hα-helixtrans-72.4-31.7177.9-67.2-59.3000112.3F31 L39 V47 N51 G162 I169 F170F31-F166 HydrophobicContact CE2-CB 4.16Å; F31-F166 HydrophobicContact CZ-CB 3.83Å; L39-F166 HydrophobicContact CD1-CB 3.87Å; L39-F166 HydrophobicContact CD2-CB 4.19Å; L39-F166 HydrophobicContact CD2-CD1 4.43Å; V47-F166 HydrophobicContact CB-CE1 4.39Å; V47-F166 HydrophobicContact CB-CZ 4.45Å; V47-F166 HydrophobicContact CG1-CD1 3.65Å; V47-F166 HydrophobicContact CG1-CD2 3.87Å; V47-F166 HydrophobicContact CG1-CE1 3.62Å; V47-F166 HydrophobicContact CG1-CE2 3.86Å; V47-F166 HydrophobicContact CG1-CG 3.79Å; V47-F166 HydrophobicContact CG1-CZ 3.74Å; V47-F166 HydrophobicContact CG2-CE1 3.81Å; V47-F166 HydrophobicContact CG2-CZ 3.95Å; N51-F166 WeakPolarHBondContact ND2-CD2 3.28Å; N51-F166 WeakPolarHBondContact ND2-CE2 3.36Å; G162-F166 WeakPolarHBondContact O-CB 3.28Å; G162-F166 WeakPolarHBondContact O-CD2 3.22Å; G162-F166 PolarHBondContact O-N 2.92Å; F166-I169 HydrophobicContact CD1-CD1 4.23Å; F166-I169 PolarHBondContact O-N 3.46Å; F166-F170 PolarHBondContact O-N 3.16Å
167G97.3Very high96.6Very high0 Ų061 Ų610%030%0.298CS..Hα-helixtrans-62-45.2168.600000112V163 I169 F170 V171V163-G167 WeakPolarHBondContact O-CA 3.36Å; V163-G167 PolarHBondContact O-N 2.83Å; G167-I169 PolarHBondContact O-N 2.87Å; G167-F170 WeakPolarHBondContact O-CB 3.19Å; G167-F170 PolarHBondContact O-N 2.65Å; G167-V171 WeakPolarHBondContact O-CG2 3.34Å; G167-V171 PolarHBondContact O-N 2.77Å
168L97.3Very high96.3Very high70 Ų7064.3 Ų64.337%0.36632%0.315SS..Hα-helixtrans-61.3-44.2176.8-17961.5000111.3F164 S165 F170 V171 L172 M190F164-L168 VanDerWaalsContact O-CB 3.26Å; F164-L168 WeakPolarHBondContact O-CB 3.16Å; F164-L168 PolarHBondContact O-N 3.15Å; S165-L168 PolarHBondContact O-N 2.9Å; L168-F170 VanDerWaalsContact C-N 3.35Å; L168-F170 PolarHBondContact O-N 3.33Å; L168-V171 PolarHBondContact O-N 2.86Å; L168-L172 HydrophobicContact CD1-CD1 3.96Å; L168-L172 HydrophobicContact CD1-CG 3.95Å; L168-L172 HydrophobicContact CD2-CD1 4.49Å; L168-L172 HydrophobicContact CG-CD1 3.83Å; L168-L172 HydrophobicContact CG-CG 4.23Å; L168-L172 VanDerWaalsContact O-CB 3.29Å; L168-L172 WeakPolarHBondContact O-CB 3.48Å; L168-L172 VanDerWaalsContact O-CG 3.23Å; L168-L172 WeakPolarHBondContact O-CG 3.47Å; L168-L172 PolarHBondContact O-N 3.4Å; L168-M190 HydrophobicContact CB-CE 3.64Å; L168-M190 HydrophobicContact CD1-CE 3.98Å; L168-M190 HydrophobicContact CG-CE 4.39Å; L168-M190 PolarHBondContact N-SD 3Å; L168-M190 VanDerWaalsContact N-SD 3.41Å
169I97.1Very high95.9Very high77 Ų7765.2 Ų65.240%0.39534%0.335SS..Hα-helixtrans-60.3-43.9175.4-67.3162.7000111.1W38 I43 S165 F166 G167 L172 H173W38-I169 HydrophobicContact CH2-CG2 4.42Å; W38-I169 HydrophobicContact CZ3-CG2 4.38Å; I43-I169 HydrophobicContact CD1-CG2 3.76Å; S165-I169 WeakPolarHBondContact O-CG1 3.31Å; S165-I169 PolarHBondContact O-N 3.48Å; F166-I169 HydrophobicContact CD1-CD1 4.23Å; F166-I169 PolarHBondContact O-N 3.46Å; G167-I169 PolarHBondContact O-N 2.87Å; I169-L172 PolarHBondContact O-N 3.43Å; I169-H173 PolarHBondContact O-N 2.94Å
170F96.9Very high95.8Very high5 Ų566.4 Ų66.42%0.02235%0.35CS..Hα-helixtrans-60.1-47.7175.5178.6-80.8000111.9T35 W38 F166 G167 L168 H173 H174 H182 T183 T186T35-F170 HydrophobicContact CG2-CB 3.57Å; T35-F170 HydrophobicContact CG2-CD1 4.37Å; T35-F170 HydrophobicContact CG2-CD2 3.83Å; T35-F170 HydrophobicContact CG2-CG 3.66Å; W38-F170 HydrophobicContact CB-CD2 3.91Å; W38-F170 HydrophobicContact CB-CE2 3.62Å; W38-F170 AromaticContact CD2-CD2 3.79Å; W38-F170 HydrophobicContact CD2-CD2 3.79Å; W38-F170 HydrophobicContact CD2-CE2 4.14Å; W38-F170 HydrophobicContact CE3-CB 4.36Å; W38-F170 AromaticContact CE3-CD2 3.6Å; W38-F170 HydrophobicContact CE3-CD2 3.6Å; W38-F170 HydrophobicContact CE3-CE2 4.39Å; W38-F170 HydrophobicContact CE3-CG 4.42Å; W38-F170 AromaticContact CG-CD2 3.93Å; W38-F170 HydrophobicContact CG-CD2 3.93Å; W38-F170 AromaticContact CG-CE2 3.81Å; W38-F170 HydrophobicContact CG-CE2 3.81Å; W38-F170 HydrophobicContact CZ3-CB 4.38Å; W38-F170 HydrophobicContact CZ3-CD2 4.37Å; F166-F170 PolarHBondContact O-N 3.16Å; G167-F170 WeakPolarHBondContact O-CB 3.19Å; G167-F170 PolarHBondContact O-N 2.65Å; L168-F170 VanDerWaalsContact C-N 3.35Å; L168-F170 PolarHBondContact O-N 3.33Å; F170-H173 PolarHBondContact O-N 2.75Å; F170-H174 AromaticContact CD1-ND1 3.79Å; F170-H174 AromaticContact CD2-CE1 3.76Å; F170-H174 AromaticContact CD2-ND1 3.86Å; F170-H174 HydrophobicContact CE1-CB 4.48Å; F170-H174 AromaticContact CE1-ND1 3.59Å; F170-H174 AromaticContact CE2-CE1 3.37Å; F170-H174 WeakPolarHBondContact CE2-CE1 3.35Å; F170-H174 AromaticContact CE2-ND1 3.69Å; F170-H174 AromaticContact CG-ND1 3.89Å; F170-H174 AromaticContact CZ-CE1 3.54Å; F170-H174 AromaticContact CZ-ND1 3.53Å; F170-H174 PolarHBondContact O-N 3.03Å; F170-H174 VanDerWaalsContact O-N 3.1Å; F170-H174 PolarHBondContact O-ND1 3.09Å; F170-H182 HydrophobicContact CE1-CB 4.33Å; F170-H182 HydrophobicContact CZ-CB 3.84Å; F170-T183 HydrophobicContact CE1-CG2 4.37Å; F170-T186 HydrophobicContact CB-CG2 4.46Å; F170-T186 HydrophobicContact CD1-CG2 4.06Å; F170-T186 HydrophobicContact CG-CG2 4.5Å
171V96.8Very high95.6Very high16 Ų1670.7 Ų70.710%0.09737%0.372CS..Hα-helixtrans-68-37.1-179.2174.80000111.4G167 L168 H173 H174 R175 L178 T183 T186 M187 M190G167-V171 WeakPolarHBondContact O-CG2 3.34Å; G167-V171 PolarHBondContact O-N 2.77Å; L168-V171 PolarHBondContact O-N 2.86Å; V171-H173 VanDerWaalsContact C-N 3.3Å; V171-H173 PolarHBondContact O-N 3.3Å; V171-H174 CarbonylContact O-C 3.6Å; V171-H174 PolarHBondContact O-N 2.85Å; V171-R175 VanDerWaalsContact O-CG 3.3Å; V171-R175 WeakPolarHBondContact O-CG 3.22Å; V171-R175 PolarHBondContact O-N 3.12Å; V171-L178 HydrophobicContact CG1-CD2 3.85Å; V171-T183 HydrophobicContact CB-CG2 4.5Å; V171-T183 HydrophobicContact CG1-CG2 4.32Å; V171-T183 HydrophobicContact CG2-CG2 4.13Å; V171-T186 HydrophobicContact CG2-CG2 3.92Å; V171-M187 HydrophobicContact CG1-CG 4.08Å; V171-M187 HydrophobicContact CG1-SD 4.21Å; V171-M187 HydrophobicContact CG2-CG 3.76Å; V171-M190 HydrophobicContact CG2-SD 3.97Å
172L96.1Very high95.5Very high100 Ų10071.8 Ų71.852%0.52437%0.373SS..Hα-helixtrans-68.6-25.6175.4-72.5177000113.3L168 I169 R175L168-L172 HydrophobicContact CD1-CD1 3.96Å; L168-L172 HydrophobicContact CD1-CG 3.95Å; L168-L172 HydrophobicContact CD2-CD1 4.49Å; L168-L172 HydrophobicContact CG-CD1 3.83Å; L168-L172 HydrophobicContact CG-CG 4.23Å; L168-L172 VanDerWaalsContact O-CB 3.29Å; L168-L172 WeakPolarHBondContact O-CB 3.48Å; L168-L172 VanDerWaalsContact O-CG 3.23Å; L168-L172 WeakPolarHBondContact O-CG 3.47Å; L168-L172 PolarHBondContact O-N 3.4Å; I169-L172 PolarHBondContact O-N 3.43Å; L172-R175 WeakPolarHBondContact O-CD 3.48Å; L172-R175 WeakPolarHBondContact O-CG 3.07Å
173H95.4Very high95.4Very high118 Ų11871.7 Ų71.755%0.54637%0.371SS..Hα-helixtrans-78.3-31.9170.1-169.287.7000112.5W38 I169 F170 V171W38-H173 AromaticContact CE2-CD2 3.81Å; W38-H173 HydrophobicContact CH2-CB 3.91Å; W38-H173 AromaticContact CH2-CG 3.95Å; W38-H173 HydrophobicContact CZ2-CB 3.8Å; W38-H173 AromaticContact CZ2-CD2 3.37Å; W38-H173 WeakPolarHBondContact CZ2-CD2 3.31Å; W38-H173 AromaticContact CZ2-CE1 3.96Å; W38-H173 AromaticContact CZ2-CG 3.38Å; W38-H173 AromaticContact CZ2-ND1 3.77Å; W38-H173 AromaticContact CZ2-NE2 3.72Å; W38-H173 AromaticContact NE1-CD2 3.81Å; W38-H173 AromaticContact NE1-NE2 3.97Å; I169-H173 PolarHBondContact O-N 2.94Å; F170-H173 PolarHBondContact O-N 2.75Å; V171-H173 VanDerWaalsContact C-N 3.3Å; V171-H173 PolarHBondContact O-N 3.3Å
174H94.9Very high95.4Very high42 Ų4274.3 Ų74.319%0.19439%0.387CS..SBendtrans-103.331.2-176.2-61.293.1000114W38 F170 V171 E176 K177 L178 T183W38-H174 AromaticContact CD1-CE1 3.61Å; W38-H174 AromaticContact CD1-NE2 3.84Å; W38-H174 AromaticContact CD2-CE1 3.92Å; W38-H174 AromaticContact CE2-CE1 3.66Å; W38-H174 AromaticContact CG-CE1 3.93Å; W38-H174 AromaticContact NE1-CE1 3.41Å; W38-H174 PolarHBondContact NE1-CE1 3.31Å; W38-H174 AromaticContact NE1-NE2 3.73Å; F170-H174 AromaticContact CD1-ND1 3.79Å; F170-H174 AromaticContact CD2-CE1 3.76Å; F170-H174 AromaticContact CD2-ND1 3.86Å; F170-H174 HydrophobicContact CE1-CB 4.48Å; F170-H174 AromaticContact CE1-ND1 3.59Å; F170-H174 AromaticContact CE2-CE1 3.37Å; F170-H174 WeakPolarHBondContact CE2-CE1 3.35Å; F170-H174 AromaticContact CE2-ND1 3.69Å; F170-H174 AromaticContact CG-ND1 3.89Å; F170-H174 AromaticContact CZ-CE1 3.54Å; F170-H174 AromaticContact CZ-ND1 3.53Å; F170-H174 PolarHBondContact O-N 3.03Å; F170-H174 VanDerWaalsContact O-N 3.1Å; F170-H174 PolarHBondContact O-ND1 3.09Å; V171-H174 CarbonylContact O-C 3.6Å; V171-H174 PolarHBondContact O-N 2.85Å; H174-E176 PolarHBondContact O-N 3.07Å; H174-E176 VanDerWaalsContact O-N 3.16Å; H174-K177 CarbonylContact O-C 3.45Å; H174-K177 WeakPolarHBondContact O-CA 3.32Å; H174-K177 PolarHBondContact O-N 3.06Å; H174-L178 PolarHBondContact O-N 3.17Å; H174-T183 HydrophobicContact CB-CG2 4.11Å
175R93.8Very high95.4Very high172 Ų17271.8 Ų71.865%0.64938%0.378SS*.G310 helixtrans-62.8-21.9-175-65.2179.978.1-134.4-0.1115V171 L172 K177 L178V171-R175 VanDerWaalsContact O-CG 3.3Å; V171-R175 WeakPolarHBondContact O-CG 3.22Å; V171-R175 PolarHBondContact O-N 3.12Å; L172-R175 WeakPolarHBondContact O-CD 3.48Å; L172-R175 WeakPolarHBondContact O-CG 3.07Å; R175-K177 VanDerWaalsContact C-N 3.3Å; R175-L178 WeakPolarHBondContact O-CG 3.3Å
176E93.5Very high95.3Very high189 Ų18969.2 Ų69.288%0.88336%0.36SS*.G310 helixtrans-80.5-12.4173.2-62.5176.7178.400112.7H174H174-E176 PolarHBondContact O-N 3.07Å; H174-E176 VanDerWaalsContact O-N 3.16Å
177K91.8Very high95.3Very high139 Ų13970.8 Ų70.860%0.60437%0.369SS*.G310 helixtrans-130.640.4-171.4-62.8179.2-176.61720111.4H174 R175 G179 G180 T183H174-K177 CarbonylContact O-C 3.45Å; H174-K177 WeakPolarHBondContact O-CA 3.32Å; H174-K177 PolarHBondContact O-N 3.06Å; R175-K177 VanDerWaalsContact C-N 3.3Å; K177-G179 VanDerWaalsContact C-N 3.3Å; K177-G179 PolarHBondContact O-N 2.93Å; K177-G180 PolarHBondContact O-N 3.48Å; K177-T183 VanDerWaalsContact O-CB 3.3Å; K177-T183 WeakPolarHBondContact O-CB 3.32Å; K177-T183 PolarHBondContact O-OG1 3.46Å
178L90.7Very high95.3Very high79 Ų7974.4 Ų74.441%0.41439%0.391SS..THydrogen-bonded Turntrans-59.5-37.2179.8-65.3173.6000113.1V171 H174 R175 G180 T183 T184 M187V171-L178 HydrophobicContact CG1-CD2 3.85Å; H174-L178 PolarHBondContact O-N 3.17Å; R175-L178 WeakPolarHBondContact O-CG 3.3Å; L178-G180 VanDerWaalsContact C-N 3.25Å; L178-G180 PolarHBondContact O-N 2.85Å; L178-T183 HydrophobicContact CD2-CG2 4.05Å; L178-T184 PolarHBondContact O-OG1 3.05Å; L178-T184 VanDerWaalsContact O-OG1 3.13Å; L178-M187 HydrophobicContact CD2-SD 4.08Å
179G90.9Very high95.4Very high74 Ų7471.2 Ų71.276%0.76337%0.374SS*.THydrogen-bonded Turntrans-78.4-0.6174.500000115K177K177-G179 VanDerWaalsContact C-N 3.3Å; K177-G179 PolarHBondContact O-N 2.93Å
180G95.3Very high95.4Very high32 Ų3268.4 Ų68.433%0.3336%0.36SS..SBendtrans-73.1136.1174.900000111.1K177 L178 H182 T183 T184K177-G180 PolarHBondContact O-N 3.48Å; L178-G180 VanDerWaalsContact C-N 3.25Å; L178-G180 PolarHBondContact O-N 2.85Å; G180-H182 VanDerWaalsContact C-N 3.29Å; G180-H182 PolarHBondContact O-N 3.29Å; G180-T183 WeakPolarHBondContact O-CA 3.36Å; G180-T183 WeakPolarHBondContact O-CB 3.4Å; G180-T183 PolarHBondContact O-N 3.23Å; G180-T184 PolarHBondContact O-N 2.85Å; G180-T184 PolarHBondContact O-OG1 2.81Å
181L95.3Very high95.4Very high116 Ų11671.9 Ų71.961%0.60738%0.384SS*.Hα-helixtrans-41-50.4-173.2-175.971.2000114.3F34 T183 T184 V185F34-L181 HydrophobicContact CE1-CD2 3.87Å; F34-L181 HydrophobicContact CE1-CG 4.04Å; L181-T183 PolarHBondContact O-N 3.41Å; L181-T184 PolarHBondContact O-N 2.79Å; L181-V185 HydrophobicContact CD1-CG2 4.45Å; L181-V185 WeakPolarHBondContact O-CB 3.39Å; L181-V185 VanDerWaalsContact O-CG2 3.3Å; L181-V185 WeakPolarHBondContact O-CG2 3.25Å; L181-V185 PolarHBondContact O-N 3Å
182H94.6Very high95.4Very high87 Ų8773.3 Ų73.340%0.40339%0.391SS..Hα-helixtrans-63.3-40.3-180-73.5-108000113F34 F170 G180 T186F34-H182 AromaticContact CD1-CE1 3.88Å; F34-H182 AromaticContact CD1-CG 3.95Å; F34-H182 AromaticContact CD1-ND1 3.8Å; F34-H182 PolarHBondContact O-ND1 2.66Å; F170-H182 HydrophobicContact CE1-CB 4.33Å; F170-H182 HydrophobicContact CZ-CB 3.84Å; G180-H182 VanDerWaalsContact C-N 3.29Å; G180-H182 PolarHBondContact O-N 3.29Å; H182-T186 VanDerWaalsContact O-CB 3.28Å; H182-T186 WeakPolarHBondContact O-CB 3.29Å; H182-T186 PolarHBondContact O-N 3.42Å; H182-T186 PolarHBondContact O-OG1 2.93Å
183T95.9Very high95.4Very high5 Ų569.1 Ų69.13%0.03137%0.37CS..Hα-helixtrans-70.5-46.8178.3-33.20000110.7F170 V171 H174 K177 L178 G180 L181 V185 T186 M187F170-T183 HydrophobicContact CE1-CG2 4.37Å; V171-T183 HydrophobicContact CB-CG2 4.5Å; V171-T183 HydrophobicContact CG1-CG2 4.32Å; V171-T183 HydrophobicContact CG2-CG2 4.13Å; H174-T183 HydrophobicContact CB-CG2 4.11Å; K177-T183 VanDerWaalsContact O-CB 3.3Å; K177-T183 WeakPolarHBondContact O-CB 3.32Å; K177-T183 PolarHBondContact O-OG1 3.46Å; L178-T183 HydrophobicContact CD2-CG2 4.05Å; G180-T183 WeakPolarHBondContact O-CA 3.36Å; G180-T183 WeakPolarHBondContact O-CB 3.4Å; G180-T183 PolarHBondContact O-N 3.23Å; L181-T183 PolarHBondContact O-N 3.41Å; T183-V185 PolarHBondContact O-N 3.3Å; T183-T186 PolarHBondContact O-N 2.85Å; T183-M187 WeakPolarHBondContact O-CG 3.5Å; T183-M187 PolarHBondContact O-N 2.95Å
184T96.7Very high95.4Very high61 Ų6164.9 Ų64.937%0.37436%0.358SS..Hα-helixtrans-58.9-46.9176.7-49.60000111.6L178 G180 L181 M187 V188L178-T184 PolarHBondContact O-OG1 3.05Å; L178-T184 VanDerWaalsContact O-OG1 3.13Å; G180-T184 PolarHBondContact O-N 2.85Å; G180-T184 PolarHBondContact O-OG1 2.81Å; L181-T184 PolarHBondContact O-N 2.79Å; T184-M187 PolarHBondContact O-N 3.34Å; T184-V188 WeakPolarHBondContact O-CG2 3.39Å; T184-V188 PolarHBondContact O-N 3.4Å
185V97.4Very high95.5Very high27 Ų2769.1 Ų69.116%0.16438%0.382CS..Hα-helixtrans-66.2-41.1177.41740000111.5L30 F34 L181 T183 M187 V188 V189L30-V185 HydrophobicContact CB-CG1 4.01Å; L30-V185 HydrophobicContact CD1-CG1 4.42Å; L30-V185 HydrophobicContact CD2-CG1 4.08Å; L30-V185 HydrophobicContact CG-CG1 4.39Å; F34-V185 HydrophobicContact CB-CB 4.36Å; F34-V185 HydrophobicContact CB-CG1 4.15Å; F34-V185 HydrophobicContact CD2-CB 4.23Å; F34-V185 HydrophobicContact CD2-CG1 3.55Å; F34-V185 HydrophobicContact CE2-CG1 4.11Å; F34-V185 HydrophobicContact CG-CB 4.1Å; F34-V185 HydrophobicContact CG-CG1 3.86Å; L181-V185 HydrophobicContact CD1-CG2 4.45Å; L181-V185 WeakPolarHBondContact O-CB 3.39Å; L181-V185 VanDerWaalsContact O-CG2 3.3Å; L181-V185 WeakPolarHBondContact O-CG2 3.25Å; L181-V185 PolarHBondContact O-N 3Å; T183-V185 PolarHBondContact O-N 3.3Å; V185-M187 VanDerWaalsContact C-N 3.33Å; V185-M187 PolarHBondContact O-N 3.41Å; V185-V188 PolarHBondContact O-N 3.38Å; V185-V189 WeakPolarHBondContact O-CG2 3.29Å; V185-V189 PolarHBondContact O-N 2.64Å
186T97.1Very high95.6Very high1 Ų164.6 Ų64.61%0.00637%0.367CS..Hα-helixtrans-61.1-41.9175.3-58.80000111.1T35 F170 V171 H182 T183 V189 M190T35-T186 HydrophobicContact CG2-CG2 3.82Å; T35-T186 PolarHBondContact OG1-OG1 2.72Å; F170-T186 HydrophobicContact CB-CG2 4.46Å; F170-T186 HydrophobicContact CD1-CG2 4.06Å; F170-T186 HydrophobicContact CG-CG2 4.5Å; V171-T186 HydrophobicContact CG2-CG2 3.92Å; H182-T186 VanDerWaalsContact O-CB 3.28Å; H182-T186 WeakPolarHBondContact O-CB 3.29Å; H182-T186 PolarHBondContact O-N 3.42Å; H182-T186 PolarHBondContact O-OG1 2.93Å; T183-T186 PolarHBondContact O-N 2.85Å; T186-V189 PolarHBondContact O-N 2.92Å; T186-M190 HydrophobicContact CG2-SD 4.39Å; T186-M190 WeakPolarHBondContact O-CG 3.47Å; T186-M190 PolarHBondContact O-N 3.05Å
187M97.2Very high95.7Very high77 Ų7759.4 Ų59.438%0.37934%0.341SS..Hα-helixtrans-62.7-43.8174.6-73.7179.766.100112.3V171 L178 T183 T184 V185 V189 M190 C191V171-M187 HydrophobicContact CG1-CG 4.08Å; V171-M187 HydrophobicContact CG1-SD 4.21Å; V171-M187 HydrophobicContact CG2-CG 3.76Å; L178-M187 HydrophobicContact CD2-SD 4.08Å; T183-M187 WeakPolarHBondContact O-CG 3.5Å; T183-M187 PolarHBondContact O-N 2.95Å; T184-M187 PolarHBondContact O-N 3.34Å; V185-M187 VanDerWaalsContact C-N 3.33Å; V185-M187 PolarHBondContact O-N 3.41Å; M187-V189 VanDerWaalsContact C-N 3.33Å; M187-V189 PolarHBondContact O-N 2.99Å; M187-M190 PolarHBondContact O-N 3.35Å; M187-C191 PolarHBondContact O-N 3.47Å; M187-C191 PolarHBondContact O-SG 2.83Å
188V97.6Very high95.9Very high76 Ų7659.3 Ų59.346%0.46135%0.346SS..Hα-helixtrans-60.4-42.7175.6170.30000111.3T184 V185 C191 I192T184-V188 WeakPolarHBondContact O-CG2 3.39Å; T184-V188 PolarHBondContact O-N 3.4Å; V185-V188 PolarHBondContact O-N 3.38Å; V188-C191 PolarHBondContact O-N 2.82Å; V188-I192 HydrophobicContact CG1-CD1 4Å; V188-I192 WeakPolarHBondContact O-CG1 3.47Å; V188-I192 PolarHBondContact O-N 2.77Å
189V97.8Very high96.2Very high2 Ų259.4 Ų59.41%0.01235%0.352CS..Hα-helixtrans-62.9-43.1174.8170.80000111.5L30 F31 V163 V185 T186 M187 C191 I192 A193L30-V189 HydrophobicContact CB-CG2 3.64Å; L30-V189 HydrophobicContact CD1-CG2 4.19Å; F31-V189 HydrophobicContact CB-CG1 4.32Å; V163-V189 HydrophobicContact CG1-CG1 3.7Å; V185-V189 WeakPolarHBondContact O-CG2 3.29Å; V185-V189 PolarHBondContact O-N 2.64Å; T186-V189 PolarHBondContact O-N 2.92Å; M187-V189 VanDerWaalsContact C-N 3.33Å; M187-V189 PolarHBondContact O-N 2.99Å; V189-C191 PolarHBondContact O-N 2.99Å; V189-I192 PolarHBondContact O-N 2.62Å; V189-A193 WeakPolarHBondContact O-CB 3.46Å; V189-A193 PolarHBondContact O-N 2.89Å
190M97.4Very high96.4Very high19 Ų1956.9 Ų56.99%0.09432%0.321CS..Hα-helixtrans-62.5-39.6174.7-72.8175.86700112.7F164 L168 V171 T186 M187 A193 G194F164-M190 HydrophobicContact CD2-CB 4.18Å; F164-M190 HydrophobicContact CD2-CE 4.28Å; F164-M190 HydrophobicContact CD2-CG 4.43Å; F164-M190 HydrophobicContact CE1-CE 4.29Å; F164-M190 HydrophobicContact CE2-CB 4.23Å; F164-M190 HydrophobicContact CE2-CE 3.98Å; F164-M190 HydrophobicContact CZ-CE 3.98Å; L168-M190 HydrophobicContact CB-CE 3.64Å; L168-M190 HydrophobicContact CD1-CE 3.98Å; L168-M190 HydrophobicContact CG-CE 4.39Å; L168-M190 PolarHBondContact N-SD 3Å; L168-M190 VanDerWaalsContact N-SD 3.41Å; V171-M190 HydrophobicContact CG2-SD 3.97Å; T186-M190 HydrophobicContact CG2-SD 4.39Å; T186-M190 WeakPolarHBondContact O-CG 3.47Å; T186-M190 PolarHBondContact O-N 3.05Å; M187-M190 PolarHBondContact O-N 3.35Å; M190-A193 PolarHBondContact O-N 3.06Å; M190-G194 PolarHBondContact O-N 3.35Å
191C97.6Very high96.5Very high78 Ų7858.8 Ų58.853%0.52732%0.323SS..Hα-helixtrans-63.4-45.2175.3-70.50000111.3M187 V188 V189 G194 L195M187-C191 PolarHBondContact O-N 3.47Å; M187-C191 PolarHBondContact O-SG 2.83Å; V188-C191 PolarHBondContact O-N 2.82Å; V189-C191 PolarHBondContact O-N 2.99Å; C191-G194 PolarHBondContact O-N 2.97Å; C191-L195 WeakPolarHBondContact O-CB 3.24Å; C191-L195 VanDerWaalsContact O-CG 3.25Å; C191-L195 WeakPolarHBondContact O-CG 3.48Å; C191-L195 PolarHBondContact O-N 3.17Å
192I96.8Very high96.6Very high46 Ų4655.6 Ų55.624%0.23632%0.317CS..Hα-helixtrans-60.8-47.3175.3-67.3165.3000110.5L23 V188 V189 G194 L195 F196L23-I192 HydrophobicContact CD2-CG2 4.18Å; V188-I192 HydrophobicContact CG1-CD1 4Å; V188-I192 WeakPolarHBondContact O-CG1 3.47Å; V188-I192 PolarHBondContact O-N 2.77Å; V189-I192 PolarHBondContact O-N 2.62Å; I192-G194 PolarHBondContact O-N 3.01Å; I192-L195 PolarHBondContact O-N 3.42Å; I192-F196 HydrophobicContact CG2-CD2 4.34Å; I192-F196 HydrophobicContact CG2-CE2 4.43Å; I192-F196 WeakPolarHBondContact O-CD2 3.36Å; I192-F196 PolarHBondContact O-N 3.25Å
193A96.3Very high96.7Very high11 Ų1154.7 Ų54.79%0.09132%0.315CS..Hα-helixtrans-60.3-45.5177.200000111.9V189 M190 F196 F197V189-A193 WeakPolarHBondContact O-CB 3.46Å; V189-A193 PolarHBondContact O-N 2.89Å; M190-A193 PolarHBondContact O-N 3.06Å; A193-F196 PolarHBondContact O-N 3.47Å; A193-F197 WeakPolarHBondContact O-CB 3.33Å; A193-F197 PolarHBondContact O-N 3.14Å
194G95.4Very high96.8Very high29 Ų2954.9 Ų54.930%0.29932%0.316SS..Hα-helixtrans-63.6-39.7179.100000113.8M190 C191 I192 F196 F197M190-G194 PolarHBondContact O-N 3.35Å; C191-G194 PolarHBondContact O-N 2.97Å; I192-G194 PolarHBondContact O-N 3.01Å; G194-F196 VanDerWaalsContact C-N 3.31Å; G194-F196 PolarHBondContact O-N 2.81Å; G194-F197 WeakPolarHBondContact O-CB 3.24Å; G194-F197 PolarHBondContact O-N 3.46Å
195L96.5Very high96.9Very high131 Ų13153.7 Ų53.769%0.68632%0.316SS*.Hα-helixtrans-61.1-38.2176.6-75.6167.4000112.5C191 I192C191-L195 WeakPolarHBondContact O-CB 3.24Å; C191-L195 VanDerWaalsContact O-CG 3.25Å; C191-L195 WeakPolarHBondContact O-CG 3.48Å; C191-L195 PolarHBondContact O-N 3.17Å; I192-L195 PolarHBondContact O-N 3.42Å
196F96Very high96.9Very high78 Ų7856.2 Ų56.234%0.34233%0.325SS..Hα-helixtrans-90.6-11.2177.6-68.4-71.6000114.1L23 M160 I192 A193 G194 P199 V200L23-F196 HydrophobicContact CD1-CE2 3.74Å; L23-F196 HydrophobicContact CD1-CZ 3.82Å; M160-F196 HydrophobicContact CE-CB 3.8Å; I192-F196 HydrophobicContact CG2-CD2 4.34Å; I192-F196 HydrophobicContact CG2-CE2 4.43Å; I192-F196 WeakPolarHBondContact O-CD2 3.36Å; I192-F196 PolarHBondContact O-N 3.25Å; A193-F196 PolarHBondContact O-N 3.47Å; G194-F196 VanDerWaalsContact C-N 3.31Å; G194-F196 PolarHBondContact O-N 2.81Å; F196-P199 WeakPolarHBondContact O-CD 3.47Å; F196-V200 HydrophobicContact CB-CG2 4.47Å; F196-V200 WeakPolarHBondContact O-CB 3.27Å; F196-V200 VanDerWaalsContact O-CG2 3.3Å; F196-V200 WeakPolarHBondContact O-CG2 3.4Å; F196-V200 PolarHBondContact O-N 3.49Å
197F95.3Very high96.9Very high79 Ų7956.3 Ų56.335%0.34633%0.325SS..Hα-helixtrans-57.3-54.4-176.6-174.6-101.1000112.8M160 V161 A193 G194 V200 M201M160-F197 HydrophobicContact CB-CD2 4.44Å; V161-F197 HydrophobicContact CG2-CE2 3.84Å; V161-F197 HydrophobicContact CG2-CZ 4.43Å; A193-F197 WeakPolarHBondContact O-CB 3.33Å; A193-F197 PolarHBondContact O-N 3.14Å; G194-F197 WeakPolarHBondContact O-CB 3.24Å; G194-F197 PolarHBondContact O-N 3.46Å; F197-V200 PolarHBondContact O-N 3.22Å; F197-M201 HydrophobicContact CD1-CG 4.13Å; F197-M201 HydrophobicContact CD2-CG 3.94Å; F197-M201 HydrophobicContact CE1-CG 3.89Å; F197-M201 HydrophobicContact CE2-CG 3.68Å; F197-M201 HydrophobicContact CE2-SD 4.08Å; F197-M201 HydrophobicContact CG-CG 4.16Å; F197-M201 HydrophobicContact CZ-CG 3.66Å; F197-M201 HydrophobicContact CZ-SD 4.28Å; F197-M201 VanDerWaalsContact O-CB 3.29Å; F197-M201 WeakPolarHBondContact O-CB 3.41Å; F197-M201 VanDerWaalsContact O-CG 3.24Å; F197-M201 WeakPolarHBondContact O-CG 3.5Å; F197-M201 PolarHBondContact O-N 2.99Å
198I95.6Very high96.9Very high137 Ų13756.1 Ų56.170%0.70332%0.324SS*.Hα-helixtrans-62.4-48.7-176.6-62.5172.9000111.4V200 G202I198-V200 PolarHBondContact O-N 2.98Å; I198-G202 PolarHBondContact O-N 2.95Å
199P96.6Very high96.8Very high82 Ų8255.7 Ų55.753%0.53232%0.322SS..Hα-helixtrans-58-45173.6-27.435.2000114.6F196 L203F196-P199 WeakPolarHBondContact O-CD 3.47Å; P199-L203 VanDerWaalsContact O-CB 3.29Å; P199-L203 WeakPolarHBondContact O-CB 3.45Å; P199-L203 PolarHBondContact O-N 3.37Å
200V97.1Very high96.7Very high20 Ų2055.8 Ų55.812%0.12132%0.322CS..Hα-helixtrans-72-41.8-176.31720000111.6L156 M160 F196 F197 I198 T204L156-V200 HydrophobicContact CD2-CG1 3.91Å; L156-V200 HydrophobicContact CD2-CG2 4.24Å; L156-V200 HydrophobicContact CG-CG1 4.13Å; M160-V200 HydrophobicContact CE-CG2 4.04Å; M160-V200 HydrophobicContact SD-CB 4.09Å; M160-V200 HydrophobicContact SD-CG1 4.13Å; M160-V200 HydrophobicContact SD-CG2 4.22Å; F196-V200 HydrophobicContact CB-CG2 4.47Å; F196-V200 WeakPolarHBondContact O-CB 3.27Å; F196-V200 VanDerWaalsContact O-CG2 3.3Å; F196-V200 WeakPolarHBondContact O-CG2 3.4Å; F196-V200 PolarHBondContact O-N 3.49Å; F197-V200 PolarHBondContact O-N 3.22Å; I198-V200 PolarHBondContact O-N 2.98Å; V200-T204 WeakPolarHBondContact O-CB 3.37Å; V200-T204 PolarHBondContact O-N 3.22Å; V200-T204 PolarHBondContact O-OG1 3.34Å
201M97.3Very high96.7Very high73 Ų7355.1 Ų55.136%0.3632%0.319SS..Hα-helixtrans-64.9-42.4174.6-68.5-58.2-62.500111.6S157 F197 T204 G205S157-M201 WeakPolarHBondContact CB-SD 3.39Å; S157-M201 PolarHBondContact OG-SD 3.44Å; F197-M201 HydrophobicContact CD1-CG 4.13Å; F197-M201 HydrophobicContact CD2-CG 3.94Å; F197-M201 HydrophobicContact CE1-CG 3.89Å; F197-M201 HydrophobicContact CE2-CG 3.68Å; F197-M201 HydrophobicContact CE2-SD 4.08Å; F197-M201 HydrophobicContact CG-CG 4.16Å; F197-M201 HydrophobicContact CZ-CG 3.66Å; F197-M201 HydrophobicContact CZ-SD 4.28Å; F197-M201 VanDerWaalsContact O-CB 3.29Å; F197-M201 WeakPolarHBondContact O-CB 3.41Å; F197-M201 VanDerWaalsContact O-CG 3.24Å; F197-M201 WeakPolarHBondContact O-CG 3.5Å; F197-M201 PolarHBondContact O-N 2.99Å; M201-T204 PolarHBondContact O-N 3.33Å; M201-G205 PolarHBondContact O-N 3.48Å
202G97.3Very high96.5Very high48 Ų4853 Ų5350%0.49531%0.307SS..Hα-helixtrans-62.2-45.5176.100000112.9I198 G205 F206I198-G202 PolarHBondContact O-N 2.95Å; G202-G205 PolarHBondContact O-N 2.93Å; G202-F206 WeakPolarHBondContact O-CB 3.49Å; G202-F206 PolarHBondContact O-N 3.35Å
203L96.8Very high96.3Very high68 Ų6857.8 Ų57.836%0.35632%0.322SS..Hα-helixtrans-63.7-40.6175.7-177.661.5000111.9L153 P199 F206 H207L153-L203 HydrophobicContact CD1-CD2 4.3Å; L153-L203 HydrophobicContact CD1-CG 4Å; L153-L203 HydrophobicContact CD2-CD2 3.78Å; L153-L203 HydrophobicContact CD2-CG 4.18Å; P199-L203 VanDerWaalsContact O-CB 3.29Å; P199-L203 WeakPolarHBondContact O-CB 3.45Å; P199-L203 PolarHBondContact O-N 3.37Å; L203-F206 PolarHBondContact O-N 3.36Å; L203-H207 PolarHBondContact O-CD2 3.24Å; L203-H207 PolarHBondContact O-N 2.99Å
204T98.1Very high96.2Very high10 Ų1057.9 Ų57.96%0.06132%0.324CS..Hα-helixtrans-64-45.8176.5-580000111.2L153 S157 V200 M201 F206 H207 M208L153-T204 HydrophobicContact CB-CG2 4.47Å; S157-T204 PolarHBondContact OG-OG1 2.75Å; V200-T204 WeakPolarHBondContact O-CB 3.37Å; V200-T204 PolarHBondContact O-N 3.22Å; V200-T204 PolarHBondContact O-OG1 3.34Å; M201-T204 PolarHBondContact O-N 3.33Å; T204-F206 PolarHBondContact O-N 3.45Å; T204-H207 PolarHBondContact O-N 3.36Å; T204-M208 HydrophobicContact CG2-CE 4.45Å; T204-M208 VanDerWaalsContact O-CG 3.3Å; T204-M208 WeakPolarHBondContact O-CG 3.38Å; T204-M208 PolarHBondContact O-N 3.48Å
205G97.8Very high96.1Very high36 Ų3659.1 Ų59.137%0.37132%0.32SS..Hα-helixtrans-60.9-40.4174.300000113.2M201 G202 M208 V209M201-G205 PolarHBondContact O-N 3.48Å; G202-G205 PolarHBondContact O-N 2.93Å; G205-M208 PolarHBondContact O-N 3.41Å; G205-V209 WeakPolarHBondContact O-CG2 3.46Å; G205-V209 PolarHBondContact O-N 2.95Å; G205-V209 VanDerWaalsContact O-N 3.15Å
206F97.6Very high96Very high80 Ų8053.2 Ų53.235%0.35129%0.289SS..Hα-helixtrans-61.2-47.1173.6175.7-108.4000112G202 L203 T204 V209 L210 T217G202-F206 WeakPolarHBondContact O-CB 3.49Å; G202-F206 PolarHBondContact O-N 3.35Å; L203-F206 PolarHBondContact O-N 3.36Å; T204-F206 PolarHBondContact O-N 3.45Å; F206-V209 PolarHBondContact O-N 2.94Å; F206-L210 HydrophobicContact CD1-CD1 3.94Å; F206-L210 HydrophobicContact CD1-CG 4.5Å; F206-L210 HydrophobicContact CE1-CD1 3.41Å; F206-L210 VanDerWaalsContact CE1-CD1 3.41Å; F206-L210 HydrophobicContact CE1-CG 4.15Å; F206-L210 HydrophobicContact CE2-CD1 4.46Å; F206-L210 HydrophobicContact CE2-CG 4.38Å; F206-L210 HydrophobicContact CZ-CD1 3.71Å; F206-L210 HydrophobicContact CZ-CD2 4.25Å; F206-L210 HydrophobicContact CZ-CG 4.08Å; F206-L210 WeakPolarHBondContact O-CG 3.44Å; F206-L210 PolarHBondContact O-N 2.93Å; F206-T217 HydrophobicContact CE1-CG2 3.94Å; F206-T217 HydrophobicContact CZ-CG2 4.18Å
207H97.4Very high96Very high2 Ų250.6 Ų50.61%0.00928%0.28CS..Hα-helixtrans-67.7-34.1177.4-83.4-78.5000113.4D131 Y146 F149 F150 L153 L203 T204 V209 L210 V211 T217D131-H207 IonicContact OD2-CE1 2.77Å; Y146-H207 AromaticContact CZ-ND1 3.88Å; Y146-H207 PolarHBondContact OH-ND1 3.25Å; Y146-H207 VanDerWaalsContact OH-ND1 3.16Å; F149-H207 AromaticContact CE1-CD2 3.98Å; F149-H207 AromaticContact CE1-CE1 3.74Å; F149-H207 AromaticContact CE1-NE2 3.62Å; F150-H207 HydrophobicContact CD2-CB 4.16Å; F150-H207 HydrophobicContact CE2-CB 4.45Å; L153-H207 HydrophobicContact CD1-CB 4.2Å; L203-H207 PolarHBondContact O-CD2 3.24Å; L203-H207 PolarHBondContact O-N 2.99Å; T204-H207 PolarHBondContact O-N 3.36Å; H207-V209 VanDerWaalsContact C-N 3.31Å; H207-V209 PolarHBondContact O-N 2.96Å; H207-L210 PolarHBondContact O-N 3Å; H207-V211 WeakPolarHBondContact O-CG2 3.3Å; H207-V211 PolarHBondContact O-N 3.27Å; H207-T217 PolarHBondContact CE1-OG1 3.16Å
208M97Very high96Very high73 Ų7347.7 Ų47.736%0.3627%0.268SS..Hα-helixtrans-56.3-46.1170.2-73.3-70.5172.400111.6F150 L154 T204 G205 V211 A212F150-M208 HydrophobicContact CE2-CE 3.96Å; F150-M208 HydrophobicContact CE2-CG 4.37Å; F150-M208 HydrophobicContact CE2-SD 3.85Å; F150-M208 HydrophobicContact CZ-CE 3.71Å; F150-M208 HydrophobicContact CZ-SD 3.57Å; F150-M208 VanDerWaalsContact CZ-SD 3.57Å; L154-M208 HydrophobicContact CB-CE 4.36Å; L154-M208 HydrophobicContact CD1-CE 3.76Å; L154-M208 HydrophobicContact CD2-CE 4.1Å; L154-M208 HydrophobicContact CG-CE 4.29Å; T204-M208 HydrophobicContact CG2-CE 4.45Å; T204-M208 VanDerWaalsContact O-CG 3.3Å; T204-M208 WeakPolarHBondContact O-CG 3.38Å; T204-M208 PolarHBondContact O-N 3.48Å; G205-M208 PolarHBondContact O-N 3.41Å; M208-V211 PolarHBondContact O-N 3.39Å; M208-A212 WeakPolarHBondContact O-CB 3.36Å; M208-A212 PolarHBondContact O-N 2.88Å
209V95.8Very high95.8Very high67 Ų6741.3 Ų41.341%0.40624%0.235SC..Hα-helixtrans-66.7-37.2178.1170.80000112.3G205 F206 H207 R213G205-V209 WeakPolarHBondContact O-CG2 3.46Å; G205-V209 PolarHBondContact O-N 2.95Å; G205-V209 VanDerWaalsContact O-N 3.15Å; F206-V209 PolarHBondContact O-N 2.94Å; H207-V209 VanDerWaalsContact C-N 3.31Å; H207-V209 PolarHBondContact O-N 2.96Å; V209-R213 WeakPolarHBondContact O-CB 3.44Å; V209-R213 WeakPolarHBondContact O-CG 3.43Å; V209-R213 PolarHBondContact O-N 2.96Å; V209-R213 VanDerWaalsContact O-N 3.16Å
210L95.6Very high95.7Very high5 Ų541.1 Ų41.13%0.02623%0.227CC..Hα-helixtrans-64.8-47.6174.5-75.6-178.6000112.3F206 H207 R213 G214 R215 T217 Q220F206-L210 HydrophobicContact CD1-CD1 3.94Å; F206-L210 HydrophobicContact CD1-CG 4.5Å; F206-L210 HydrophobicContact CE1-CD1 3.41Å; F206-L210 VanDerWaalsContact CE1-CD1 3.41Å; F206-L210 HydrophobicContact CE1-CG 4.15Å; F206-L210 HydrophobicContact CE2-CD1 4.46Å; F206-L210 HydrophobicContact CE2-CG 4.38Å; F206-L210 HydrophobicContact CZ-CD1 3.71Å; F206-L210 HydrophobicContact CZ-CD2 4.25Å; F206-L210 HydrophobicContact CZ-CG 4.08Å; F206-L210 WeakPolarHBondContact O-CG 3.44Å; F206-L210 PolarHBondContact O-N 2.93Å; H207-L210 PolarHBondContact O-N 3Å; L210-R213 CarbonylContact O-C 3.56Å; L210-R213 PolarHBondContact O-N 3.41Å; L210-G214 PolarHBondContact O-N 2.77Å; L210-R215 WeakPolarHBondContact CB-O 3.39Å; L210-R215 HydrophobicContact CD2-CB 4.27Å; L210-R215 PolarHBondContact O-N 3.1Å; L210-T217 VanDerWaalsContact CD1-OG1 3.26Å; L210-T217 WeakPolarHBondContact CD1-OG1 3.46Å; L210-Q220 HydrophobicContact CD2-CB 3.69Å; L210-Q220 HydrophobicContact CD2-CG 4.05Å
211V96.1Very high95.4Very high5 Ų545.6 Ų45.63%0.0325%0.254CS..Hα-helixtrans-60.3-51.7176.9172.30000109.9Y146 F150 H207 M208 R213 G214 N239 V240 V243Y146-V211 HydrophobicContact CE1-CG2 3.8Å; F150-V211 HydrophobicContact CD2-CG2 3.98Å; F150-V211 HydrophobicContact CE1-CG2 4.46Å; F150-V211 HydrophobicContact CE2-CB 4.47Å; F150-V211 HydrophobicContact CE2-CG2 3.82Å; F150-V211 HydrophobicContact CG-CG2 4.37Å; F150-V211 HydrophobicContact CZ-CB 4.42Å; F150-V211 HydrophobicContact CZ-CG2 4.06Å; H207-V211 WeakPolarHBondContact O-CG2 3.3Å; H207-V211 PolarHBondContact O-N 3.27Å; M208-V211 PolarHBondContact O-N 3.39Å; V211-R213 PolarHBondContact O-N 3.12Å; V211-R213 VanDerWaalsContact O-N 3.14Å; V211-G214 PolarHBondContact O-N 3.06Å; V211-N239 WeakPolarHBondContact O-CB 3.47Å; V211-V240 HydrophobicContact CG1-CB 4.34Å; V211-V240 HydrophobicContact CG1-CG2 3.82Å; V211-V243 HydrophobicContact CG1-CB 4.16Å; V211-V243 HydrophobicContact CG1-CG1 4.5Å; V211-V243 HydrophobicContact CG1-CG2 4.01Å; V211-V243 HydrophobicContact CG2-CG1 4.3Å; V211-V243 HydrophobicContact CG2-CG2 4.24Å
212A94.7Very high95Very high32 Ų3246.1 Ų46.126%0.26426%0.262SS..Hα-helixtrans-54-36.9177.600000113M208 N239M208-A212 WeakPolarHBondContact O-CB 3.36Å; M208-A212 PolarHBondContact O-N 2.88Å; A212-N239 PolarHBondContact O-ND2 3.47Å
213R92.7Very high94.4Very high147 Ų14744.7 Ų44.756%0.55525%0.247SC*.Hα-helixtrans-87.9-3.9179.5-70.2176.7165.6145-0.6114.7V209 L210 V211 R215 N230V209-R213 WeakPolarHBondContact O-CB 3.44Å; V209-R213 WeakPolarHBondContact O-CG 3.43Å; V209-R213 PolarHBondContact O-N 2.96Å; V209-R213 VanDerWaalsContact O-N 3.16Å; L210-R213 CarbonylContact O-C 3.56Å; L210-R213 PolarHBondContact O-N 3.41Å; V211-R213 PolarHBondContact O-N 3.12Å; V211-R213 VanDerWaalsContact O-N 3.14Å; R213-R215 VanDerWaalsContact C-N 3.33Å; R213-R215 HydrophobicContact CB-CG 4.45Å; R213-R215 PolarHBondContact O-N 3.37Å; R213-N230 PolarHBondContact O-ND2 2.94Å; R213-N230 VanDerWaalsContact O-ND2 3.07Å
214G93.4Very high93.7Very high13 Ų1346.1 Ų46.113%0.13425%0.25CS..THydrogen-bonded Turntrans64.533.4-179.800000113.5L210 V211 N230 N239L210-G214 PolarHBondContact O-N 2.77Å; V211-G214 PolarHBondContact O-N 3.06Å; G214-N230 PolarHBondContact O-ND2 3.32Å; G214-N239 PolarHBondContact N-ND2 3.45Å
215R93.6Very high92.8Very high56 Ų5647 Ų4721%0.21125%0.253CS..  trans-120.3150-175.7-68.8178.7179.2-179.9-3.1111.2L210 R213 E219 Q220 F225L210-R215 WeakPolarHBondContact CB-O 3.39Å; L210-R215 HydrophobicContact CD2-CB 4.27Å; L210-R215 PolarHBondContact O-N 3.1Å; R213-R215 VanDerWaalsContact C-N 3.33Å; R213-R215 HydrophobicContact CB-CG 4.45Å; R213-R215 PolarHBondContact O-N 3.37Å; R215-E219 WeakPolarHBondContact CA-OE2 3.43Å; R215-E219 HydrophobicContact CB-CB 4.48Å; R215-Q220 VanDerWaalsContact NH1-OE1 3.14Å; R215-F225 HydrophobicContact CG-CD2 4.46Å; R215-F225 PolarHBondContact NH2-O 3.48Å; R215-F225 VanDerWaalsContact NH2-O 3.17Å
216T95.1Very high91.5Very high7 Ų756.2 Ų56.24%0.04328%0.277CS..  trans-84.9161.7164.758.70000112.5D131 N218 E219 Q220D131-T216 HydrophobicContact CB-CG2 4.23Å; D131-T216 WeakPolarHBondContact OD1-CA 3.46Å; D131-T216 WeakPolarHBondContact OD1-CB 3.39Å; T216-N218 VanDerWaalsContact C-N 3.29Å; T216-N218 PolarHBondContact O-N 2.91Å; T216-E219 PolarHBondContact N-OE2 3.14Å; T216-E219 PolarHBondContact O-N 3.33Å; T216-E219 VanDerWaalsContact O-N 3.08Å; T216-E219 WeakPolarHBondContact OG1-CB 3.43Å; T216-E219 VanDerWaalsContact OG1-CG 3.22Å; T216-E219 WeakPolarHBondContact OG1-CG 3.46Å; T216-E219 PolarHBondContact OG1-N 2.86Å; T216-E219 VanDerWaalsContact OG1-N 3.1Å; T216-E219 PolarHBondContact OG1-OE2 3.15Å; T216-Q220 PolarHBondContact O-N 2.89Å
217T95.4Very high90.1Very high22 Ų2256.5 Ų56.514%0.13530%0.303CS..Hα-helixtrans-52.8-48.1168.3-54.60000110.6D131 F206 H207 L210 E219 Q220 V221D131-T217 PolarHBondContact OD1-N 3.22Å; D131-T217 PolarHBondContact OD1-OG1 3.34Å; D131-T217 WeakPolarHBondContact OD2-CB 3.41Å; D131-T217 PolarHBondContact OD2-OG1 2.97Å; F206-T217 HydrophobicContact CE1-CG2 3.94Å; F206-T217 HydrophobicContact CZ-CG2 4.18Å; H207-T217 PolarHBondContact CE1-OG1 3.16Å; L210-T217 VanDerWaalsContact CD1-OG1 3.26Å; L210-T217 WeakPolarHBondContact CD1-OG1 3.46Å; T217-E219 PolarHBondContact O-N 3.34Å; T217-Q220 PolarHBondContact O-N 2.9Å; T217-V221 HydrophobicContact CG2-CG2 4.1Å; T217-V221 WeakPolarHBondContact O-CB 3.48Å; T217-V221 WeakPolarHBondContact O-CG2 3.49Å; T217-V221 PolarHBondContact O-N 3.46Å
218N94.3Very high88.9Confident18 Ų1858.7 Ų58.710%0.09633%0.325CS..Hα-helixtrans-48.9-52.1170.2171.95.3000112.3S118 F130 D131 T216 Q220 T222 K224S118-N218 PolarHBondContact OG-ND2 3.31Å; S118-N218 VanDerWaalsContact OG-ND2 3.08Å; F130-N218 HydrophobicContact CD1-CB 4.34Å; F130-N218 WeakPolarHBondContact O-CB 3.21Å; F130-N218 PolarHBondContact O-ND2 3.05Å; D131-N218 WeakPolarHBondContact O-CB 3.31Å; D131-N218 PolarHBondContact O-N 3.24Å; D131-N218 VanDerWaalsContact O-N 3.13Å; T216-N218 VanDerWaalsContact C-N 3.29Å; T216-N218 PolarHBondContact O-N 2.91Å; N218-Q220 PolarHBondContact O-N 3.02Å; N218-T222 WeakPolarHBondContact O-CB 3.3Å; N218-T222 WeakPolarHBondContact O-CG2 3.49Å; N218-T222 PolarHBondContact O-N 3.24Å; N218-T222 PolarHBondContact O-OG1 3.44Å; N218-K224 PolarHBondContact ND2-NZ 3.45Å; N218-K224 PolarHBondContact OD1-NZ 2.91Å
219E92.8Very high88.1Confident4 Ų460.5 Ų60.52%0.01934%0.34CS..Hα-helixtrans-65.6-36-179.7-72.7165.3156.800113.9R116 R215 T216 T217 G223 K224 F225R116-E219 WeakPolarHBondContact CG-OE1 3.42Å; R116-E219 IonicContact CZ-OE1 3.56Å; R116-E219 IonicContact CZ-OE2 3.1Å; R116-E219 IonicContact NE-OE1 3.51Å; R116-E219 PolarHBondContact NE-OE1 3.46Å; R116-E219 IonicContact NE-OE2 2.82Å; R116-E219 IonicContact NH2-OE1 3.57Å; R116-E219 IonicContact NH2-OE2 2.74Å; R116-E219 PolarHBondContact NH2-OE2 2.84Å; R215-E219 WeakPolarHBondContact CA-OE2 3.43Å; R215-E219 HydrophobicContact CB-CB 4.48Å; T216-E219 PolarHBondContact N-OE2 3.14Å; T216-E219 PolarHBondContact O-N 3.33Å; T216-E219 VanDerWaalsContact O-N 3.08Å; T216-E219 WeakPolarHBondContact OG1-CB 3.43Å; T216-E219 VanDerWaalsContact OG1-CG 3.22Å; T216-E219 WeakPolarHBondContact OG1-CG 3.46Å; T216-E219 PolarHBondContact OG1-N 2.86Å; T216-E219 VanDerWaalsContact OG1-N 3.1Å; T216-E219 PolarHBondContact OG1-OE2 3.15Å; T217-E219 PolarHBondContact O-N 3.34Å; E219-G223 PolarHBondContact O-N 3.3Å; E219-K224 HydrophobicContact CB-CD 4.45Å; E219-K224 HydrophobicContact CG-CD 3.89Å; E219-K224 PolarHBondContact O-N 3.35Å; E219-F225 HydrophobicContact CB-CD2 4.29Å; E219-F225 HydrophobicContact CB-CE2 4.02Å; E219-F225 HydrophobicContact CG-CE2 3.87Å
220Q93.4Very high87.6Confident78 Ų7857.8 Ų57.836%0.36432%0.323SS..Hα-helixtrans-72.7-48177.5-176.762.623.800111.9L210 R215 T216 T217 N218 G223L210-Q220 HydrophobicContact CD2-CB 3.69Å; L210-Q220 HydrophobicContact CD2-CG 4.05Å; R215-Q220 VanDerWaalsContact NH1-OE1 3.14Å; T216-Q220 PolarHBondContact O-N 2.89Å; T217-Q220 PolarHBondContact O-N 2.9Å; N218-Q220 PolarHBondContact O-N 3.02Å; Q220-G223 PolarHBondContact O-N 2.91Å
221V91.9Very high87.2Confident114 Ų11457.9 Ų57.969%0.69132%0.324SS*.Hα-helixtrans-70.6-41.5-178.5173.90000111.8T217 G223T217-V221 HydrophobicContact CG2-CG2 4.1Å; T217-V221 WeakPolarHBondContact O-CB 3.48Å; T217-V221 WeakPolarHBondContact O-CG2 3.49Å; T217-V221 PolarHBondContact O-N 3.46Å; V221-G223 PolarHBondContact O-N 3.25Å
222T87.9Confident86.8Confident84 Ų8460 Ų6052%0.51533%0.333SS..THydrogen-bonded Turntrans-78.2-3.1175.162.40000113.5N218 K224N218-T222 WeakPolarHBondContact O-CB 3.3Å; N218-T222 WeakPolarHBondContact O-CG2 3.49Å; N218-T222 PolarHBondContact O-N 3.24Å; N218-T222 PolarHBondContact O-OG1 3.44Å; T222-K224 VanDerWaalsContact C-N 3.27Å; T222-K224 PolarHBondContact O-N 3.49Å; T222-K224 VanDerWaalsContact OG1-CE 3.31Å; T222-K224 WeakPolarHBondContact OG1-CE 3.37Å; T222-K224 WeakPolarHBondContact OG1-CG 3.29Å
223G85.7Confident86.6Confident18 Ų1860.7 Ų60.719%0.18634%0.335CS..THydrogen-bonded Turntrans66.520.6172.500000115.7E219 Q220 V221 F225 R226E219-G223 PolarHBondContact O-N 3.3Å; Q220-G223 PolarHBondContact O-N 2.91Å; V221-G223 PolarHBondContact O-N 3.25Å; G223-F225 PolarHBondContact O-N 3.39Å; G223-R226 WeakPolarHBondContact O-CB 3.42Å; G223-R226 WeakPolarHBondContact O-CG 3.24Å; G223-R226 PolarHBondContact O-N 3.49Å
224K81.6Confident86.5Confident97 Ų9759.5 Ų59.542%0.42233%0.333SS..THydrogen-bonded Turntrans-52.1-26.3-172.8-77166.6-175.4157.80114.8N218 E219 T222N218-K224 PolarHBondContact ND2-NZ 3.45Å; N218-K224 PolarHBondContact OD1-NZ 2.91Å; E219-K224 HydrophobicContact CB-CD 4.45Å; E219-K224 HydrophobicContact CG-CD 3.89Å; E219-K224 PolarHBondContact O-N 3.35Å; T222-K224 VanDerWaalsContact C-N 3.27Å; T222-K224 PolarHBondContact O-N 3.49Å; T222-K224 VanDerWaalsContact OG1-CE 3.31Å; T222-K224 WeakPolarHBondContact OG1-CE 3.37Å; T222-K224 WeakPolarHBondContact OG1-CG 3.29Å
225F79.4Confident86.4Confident28 Ų2860.7 Ų60.712%0.12335%0.345CS..THydrogen-bonded Turntrans-123.636.2-179-49.4-63.2000112.7R215 E219 G223 G227 N230 P231 F232R215-F225 HydrophobicContact CG-CD2 4.46Å; R215-F225 PolarHBondContact NH2-O 3.48Å; R215-F225 VanDerWaalsContact NH2-O 3.17Å; E219-F225 HydrophobicContact CB-CD2 4.29Å; E219-F225 HydrophobicContact CB-CE2 4.02Å; E219-F225 HydrophobicContact CG-CE2 3.87Å; G223-F225 PolarHBondContact O-N 3.39Å; F225-G227 VanDerWaalsContact C-N 3.31Å; F225-N230 HydrophobicContact CD2-CB 4.47Å; F225-N230 HydrophobicContact CG-CB 4.49Å; F225-P231 HydrophobicContact CE1-CG 4.36Å; F225-F232 HydrophobicContact CE2-CD2 4.48Å; F225-F232 AromaticContact CZ-CD2 3.95Å; F225-F232 HydrophobicContact CZ-CD2 3.95Å; F225-F232 AromaticContact CZ-CE2 3.94Å; F225-F232 HydrophobicContact CZ-CE2 3.94Å
226R70.8Confident86.3Confident230 Ų23061.6 Ų61.687%0.86836%0.36SS*.THydrogen-bonded Turntrans-73.9-17.1177.3-77.6179.876.1166.53.7114.4G223G223-R226 WeakPolarHBondContact O-CB 3.42Å; G223-R226 WeakPolarHBondContact O-CG 3.24Å; G223-R226 PolarHBondContact O-N 3.49Å
227G67.1Low86.2Confident87 Ų8766.3 Ų66.390%0.89739%0.392SS*.THydrogen-bonded Turntrans-134.929.3-179.800000113.9F225F225-G227 VanDerWaalsContact C-N 3.31Å
228G73.2Confident86.2Confident47 Ų4766 Ų6649%0.48539%0.393SS..SBendtrans-166.1161.3-17800000113.7
229V79.8Confident86.2Confident112 Ų11265.4 Ų65.468%0.67939%0.39SS*.  trans-64.4140.7176.7-175.60000109.7I99 P231I99-V229 HydrophobicContact CD1-CB 4.43Å; I99-V229 WeakPolarHBondContact CD1-O 3.44Å; V229-P231 VanDerWaalsContact O-CD 3.24Å; V229-P231 WeakPolarHBondContact O-CD 3.39Å
230N86.1Confident86.3Confident9 Ų967.7 Ų67.75%0.04840%0.404CS..  trans-77.3109.3174.2175.711.4000109.8R213 G214 F225 F232 T233R213-N230 PolarHBondContact O-ND2 2.94Å; R213-N230 VanDerWaalsContact O-ND2 3.07Å; G214-N230 PolarHBondContact O-ND2 3.32Å; F225-N230 HydrophobicContact CD2-CB 4.47Å; F225-N230 HydrophobicContact CG-CB 4.49Å; N230-F232 PolarHBondContact O-N 3.39Å; N230-F232 VanDerWaalsContact O-N 3.12Å; N230-F232 WeakPolarHBondContact OD1-CB 3.38Å; N230-F232 PolarHBondContact OD1-N 2.84Å; N230-T233 VanDerWaalsContact O-CG2 3.31Å; N230-T233 WeakPolarHBondContact O-CG2 3.32Å; N230-T233 PolarHBondContact O-N 3.3Å
231P86.3Confident86.5Confident7 Ų770 Ų705%0.04542%0.415CS..THydrogen-bonded Turntrans-64.5-19-179.226.3-33.3000112.9I96 K97 I99 F225 V229I96-P231 HydrophobicContact CG2-CB 4.4Å; K97-P231 WeakPolarHBondContact CD-O 3.23Å; K97-P231 WeakPolarHBondContact CE-O 3.24Å; K97-P231 PolarHBondContact NZ-O 3.38Å; I99-P231 HydrophobicContact CD1-CB 4.17Å; I99-P231 HydrophobicContact CD1-CG 4.41Å; F225-P231 HydrophobicContact CE1-CG 4.36Å; V229-P231 VanDerWaalsContact O-CD 3.24Å; V229-P231 WeakPolarHBondContact O-CD 3.39Å
232F88.1Confident86.5Confident49 Ų4968.3 Ų68.322%0.21540%0.397CS..THydrogen-bonded Turntrans-87.7-8.6-177.9-53.8-65.9000113.9I96 P115 R116 F225 N230I96-F232 HydrophobicContact CD1-CE1 4.08Å; I96-F232 HydrophobicContact CD1-CZ 3.83Å; I96-F232 HydrophobicContact CG2-CE1 4.27Å; P115-F232 HydrophobicContact CB-CZ 3.99Å; R116-F232 HydrophobicContact CG-CD2 4.03Å; R116-F232 HydrophobicContact CG-CE1 4.14Å; R116-F232 HydrophobicContact CG-CE2 3.6Å; R116-F232 HydrophobicContact CG-CG 4.47Å; R116-F232 HydrophobicContact CG-CZ 3.67Å; F225-F232 HydrophobicContact CE2-CD2 4.48Å; F225-F232 AromaticContact CZ-CD2 3.95Å; F225-F232 HydrophobicContact CZ-CD2 3.95Å; F225-F232 AromaticContact CZ-CE2 3.94Å; F225-F232 HydrophobicContact CZ-CE2 3.94Å; N230-F232 PolarHBondContact O-N 3.39Å; N230-F232 VanDerWaalsContact O-N 3.12Å; N230-F232 WeakPolarHBondContact OD1-CB 3.38Å; N230-F232 PolarHBondContact OD1-N 2.84Å
233T90.3Very high86.8Confident48 Ų4865.6 Ų65.629%0.29438%0.38SS..  trans-69.8147.5176.8-159.90000112.1N230 G235 N239N230-T233 VanDerWaalsContact O-CG2 3.31Å; N230-T233 WeakPolarHBondContact O-CG2 3.32Å; N230-T233 PolarHBondContact O-N 3.3Å; T233-G235 PolarHBondContact OG1-N 3.48Å; T233-N239 WeakPolarHBondContact CA-OD1 3.44Å; T233-N239 PolarHBondContact OG1-ND2 3.14Å
234K90.2Very high87.2Confident121 Ų12167.9 Ų67.953%0.52639%0.387SS..  trans-123.219.7173.8-62.3178.8176.9179.30111.8N239 Y242K234-N239 PolarHBondContact N-OD1 3.13Å; K234-Y242 HydrophobicContact CD-CG 4.46Å
235G91.5Very high87.8Confident38 Ų3867.7 Ų67.739%0.39240%0.398SS..Hα-helixtrans75.9166.4-16600000112.1T233 C237 G238 N239T233-G235 PolarHBondContact OG1-N 3.48Å; G235-C237 PolarHBondContact O-N 3.43Å; G235-G238 PolarHBondContact O-N 3.46Å; G235-N239 WeakPolarHBondContact O-CB 3.49Å; G235-N239 PolarHBondContact O-N 3.06Å; G235-N239 PolarHBondContact O-ND2 3.46Å
236C91.6Very high88.3Confident76 Ų7666.9 Ų66.951%0.51440%0.395SS..Hα-helixtrans-55.2-58.3-170.1-171.70000112.7G238 N239 V240C236-G238 PolarHBondContact O-N 2.95Å; C236-N239 PolarHBondContact O-N 2.93Å; C236-V240 WeakPolarHBondContact O-CG2 3.48Å; C236-V240 PolarHBondContact O-N 3.25Å; C236-V240 VanDerWaalsContact O-N 3.15Å
237C93.4Very high89.2Confident105 Ų10561.2 Ų61.271%0.70939%0.388SS*.Hα-helixtrans-63.9-43.7-178.7-52.30000112G235 N239 V240 E241G235-C237 PolarHBondContact O-N 3.43Å; C237-N239 VanDerWaalsContact C-N 3.25Å; C237-N239 PolarHBondContact O-N 2.95Å; C237-V240 PolarHBondContact O-N 3.34Å; C237-V240 VanDerWaalsContact O-N 3.14Å; C237-E241 WeakPolarHBondContact O-CB 3.39Å; C237-E241 PolarHBondContact O-N 2.97Å
238G94.7Very high90.3Very high17 Ų1760.6 Ų60.618%0.17536%0.364CS..Hα-helixtrans-65.8-23.9178.300000114.1G235 C236 Y242G235-G238 PolarHBondContact O-N 3.46Å; C236-G238 PolarHBondContact O-N 2.95Å; G238-Y242 WeakPolarHBondContact O-CB 3.41Å; G238-Y242 PolarHBondContact O-N 2.97Å; G238-Y242 VanDerWaalsContact O-N 3.1Å
239N95.5Very high91.1Very high5 Ų558.9 Ų58.93%0.02735%0.345CS..Hα-helixtrans-75.8-43.3170.3-66.4-32.4000111.6V211 A212 G214 T233 K234 G235 C236 C237 Y242 V243V211-N239 WeakPolarHBondContact O-CB 3.47Å; A212-N239 PolarHBondContact O-ND2 3.47Å; G214-N239 PolarHBondContact N-ND2 3.45Å; T233-N239 WeakPolarHBondContact CA-OD1 3.44Å; T233-N239 PolarHBondContact OG1-ND2 3.14Å; K234-N239 PolarHBondContact N-OD1 3.13Å; G235-N239 WeakPolarHBondContact O-CB 3.49Å; G235-N239 PolarHBondContact O-N 3.06Å; G235-N239 PolarHBondContact O-ND2 3.46Å; C236-N239 PolarHBondContact O-N 2.93Å; C237-N239 VanDerWaalsContact C-N 3.25Å; C237-N239 PolarHBondContact O-N 2.95Å; N239-Y242 PolarHBondContact O-N 3.34Å; N239-V243 WeakPolarHBondContact O-CG2 3.42Å; N239-V243 PolarHBondContact O-N 3.26Å
240V95.1Very high91.4Very high51 Ų5157.4 Ų57.431%0.30934%0.338SS..Hα-helixtrans-61.5-48.6175.81740000110.6V211 C236 C237 Y242 V243 L244V211-V240 HydrophobicContact CG1-CB 4.34Å; V211-V240 HydrophobicContact CG1-CG2 3.82Å; C236-V240 WeakPolarHBondContact O-CG2 3.48Å; C236-V240 PolarHBondContact O-N 3.25Å; C236-V240 VanDerWaalsContact O-N 3.15Å; C237-V240 PolarHBondContact O-N 3.34Å; C237-V240 VanDerWaalsContact O-N 3.14Å; V240-Y242 VanDerWaalsContact C-N 3.34Å; V240-Y242 PolarHBondContact O-N 3.32Å; V240-V243 PolarHBondContact O-N 3.29Å; V240-L244 HydrophobicContact CG1-CD1 3.78Å; V240-L244 HydrophobicContact CG1-CG 4.43Å; V240-L244 WeakPolarHBondContact O-CG 3.4Å; V240-L244 PolarHBondContact O-N 2.85Å
241E95.8Very high91.6Very high128 Ų12863.5 Ų63.560%0.59836%0.36SS*.Hα-helixtrans-58.5-44.1174.5-173.2-168175.400111.4C237 V243 L244 C245C237-E241 WeakPolarHBondContact O-CB 3.39Å; C237-E241 PolarHBondContact O-N 2.97Å; E241-V243 VanDerWaalsContact C-N 3.31Å; E241-V243 PolarHBondContact O-N 3.43Å; E241-L244 PolarHBondContact O-N 3.21Å; E241-C245 HydrophobicContact CG-CB 4.12Å; E241-C245 WeakPolarHBondContact O-CA 3.4Å; E241-C245 VanDerWaalsContact O-CB 3.27Å; E241-C245 WeakPolarHBondContact O-CB 3.27Å; E241-C245 PolarHBondContact O-N 3.25Å
242Y93.5Very high91.5Very high78 Ų7866.6 Ų66.631%0.30637%0.372SS..Hα-helixtrans-64-34177179.3-112.1000113.1R143 K234 G238 N239 V240 S246R143-Y242 PolarHBondContact NE-OH 3.31Å; R143-Y242 VanDerWaalsContact NE-OH 3.1Å; R143-Y242 PolarHBondContact NH2-OH 2.88Å; K234-Y242 HydrophobicContact CD-CG 4.46Å; G238-Y242 WeakPolarHBondContact O-CB 3.41Å; G238-Y242 PolarHBondContact O-N 2.97Å; G238-Y242 VanDerWaalsContact O-N 3.1Å; N239-Y242 PolarHBondContact O-N 3.34Å; V240-Y242 VanDerWaalsContact C-N 3.34Å; V240-Y242 PolarHBondContact O-N 3.32Å; Y242-S246 WeakPolarHBondContact O-CB 3.28Å; Y242-S246 PolarHBondContact O-OG 3.44Å
243V94.1Very high91.1Very high26 Ų2667 Ų6716%0.15838%0.378CS..Hα-helixtrans-73.8-44.1176.3166.50000112Y146 R147 F150 V211 N239 V240 E241Y146-V243 HydrophobicContact CD1-CG1 3.92Å; Y146-V243 HydrophobicContact CE1-CG1 3.96Å; Y146-V243 HydrophobicContact CE1-CG2 4.37Å; R147-V243 WeakPolarHBondContact CB-O 3.29Å; F150-V243 HydrophobicContact CD1-CG1 4.01Å; F150-V243 HydrophobicContact CG-CG1 4.48Å; V211-V243 HydrophobicContact CG1-CB 4.16Å; V211-V243 HydrophobicContact CG1-CG1 4.5Å; V211-V243 HydrophobicContact CG1-CG2 4.01Å; V211-V243 HydrophobicContact CG2-CG1 4.3Å; V211-V243 HydrophobicContact CG2-CG2 4.24Å; N239-V243 WeakPolarHBondContact O-CG2 3.42Å; N239-V243 PolarHBondContact O-N 3.26Å; V240-V243 PolarHBondContact O-N 3.29Å; E241-V243 VanDerWaalsContact C-N 3.31Å; E241-V243 PolarHBondContact O-N 3.43Å
244L93.8Very high90.1Very high66 Ų6670 Ų7035%0.34639%0.392SS..Hα-helixtrans-84.8-44.8-174-64.8179000113.2F150 L151 V240 E241F150-L244 HydrophobicContact CD1-CD2 3.86Å; F150-L244 HydrophobicContact CE1-CD2 3.97Å; L151-L244 HydrophobicContact CD1-CD2 4.47Å; L151-L244 HydrophobicContact CD2-CD2 3.86Å; L151-L244 HydrophobicContact CG-CD2 4.07Å; V240-L244 HydrophobicContact CG1-CD1 3.78Å; V240-L244 HydrophobicContact CG1-CG 4.43Å; V240-L244 WeakPolarHBondContact O-CG 3.4Å; V240-L244 PolarHBondContact O-N 2.85Å; E241-L244 PolarHBondContact O-N 3.21Å
245C92.9Very high88.6Confident94 Ų9467.7 Ų67.764%0.63539%0.385SS*.Hα-helixtrans-104-7.8-166.8-54.50000114.1E241E241-C245 HydrophobicContact CG-CB 4.12Å; E241-C245 WeakPolarHBondContact O-CA 3.4Å; E241-C245 VanDerWaalsContact O-CB 3.27Å; E241-C245 WeakPolarHBondContact O-CB 3.27Å; E241-C245 PolarHBondContact O-N 3.25Å
246S90.3Very high87.1Confident11 Ų1170.8 Ų70.88%0.07740%0.399CS..SBendtrans-65.1145.5-178.967.40000112.6R143 R147 Y242R143-S246 PolarHBondContact NH2-OG 2.92Å; R147-S246 PolarHBondContact NH1-O 2.85Å; Y242-S246 WeakPolarHBondContact O-CB 3.28Å; Y242-S246 PolarHBondContact O-OG 3.44Å
247P90.6Very high85.4Confident111 Ų11178.2 Ų78.272%0.72142%0.416SS*.PPolyproline II helixtrans-51.1147170.3-27.935.6000111.7A249P247-A249 PolarHBondContact O-N 3.42Å
248L90.1Very high83.5Confident73 Ų7380.6 Ų80.638%0.38241%0.414SS..PPolyproline II helixtrans-63.8120.4174.5-178.958.2000108.6M68 R144M68-L248 HydrophobicContact CE-CD2 4.5Å; M68-L248 HydrophobicContact SD-CD1 4.09Å; R144-L248 HydrophobicContact CB-CD1 4.26Å
249A89.2Confident81.4Confident12 Ų1288.9 Ų88.910%0.09944%0.44CS..PPolyproline II helixtrans-54.1155.4176.500000111.5R143 R144 P247R143-A249 HydrophobicContact CG-CB 3.69Å; R144-A249 HydrophobicContact CG-CB 4.1Å; R144-A249 PolarHBondContact NH1-O 2.89Å; P247-A249 PolarHBondContact O-N 3.42Å
250P87.3Confident79.3Confident81 Ų8193.1 Ų93.153%0.52647%0.468SS..PPolyproline II helixtrans-63.1172179.127.4-35.7000112.3R144 Y252R144-P250 WeakPolarHBondContact CD-O 3.45Å; R144-P250 PolarHBondContact NH1-O 3.47Å; P250-Y252 HydrophobicContact CG-CE1 3.86Å
251R88.9Confident77.3Confident136 Ų13699.6 Ų99.651%0.51349%0.494SS..  trans-113117.2172.2-167.1-174-166.3-169.24.3108.6D69 V253D69-R251 IonicContact OD1-CZ 3.23Å; D69-R251 IonicContact OD1-NE 2.92Å; D69-R251 PolarHBondContact OD1-NE 2.9Å; D69-R251 IonicContact OD1-NH2 2.69Å; D69-R251 PolarHBondContact OD1-NH2 3.49Å; R251-V253 WeakPolarHBondContact CD-O 3.48Å
252Y85.8Confident75.6Confident72 Ų7298.6 Ų98.628%0.28250%0.496SS..SBendtrans-79.1-33.1-176.9-46.9-74.6000112.2Y73 P74 E128 P250 L254Y73-Y252 HydrophobicContact CD1-CD1 4.46Å; Y73-Y252 HydrophobicContact CD1-CD2 4.03Å; Y73-Y252 HydrophobicContact CD1-CE2 4.41Å; Y73-Y252 HydrophobicContact CD1-CG 4.08Å; Y73-Y252 HydrophobicContact CE1-CD1 4.31Å; Y73-Y252 HydrophobicContact CE1-CD2 4.11Å; Y73-Y252 HydrophobicContact CE1-CE1 4.22Å; Y73-Y252 HydrophobicContact CE1-CE2 4.03Å; Y73-Y252 HydrophobicContact CE1-CG 4.26Å; P74-Y252 VanDerWaalsContact CD-CB 3.48Å; E128-Y252 VanDerWaalsContact CD-OH 3.29Å; E128-Y252 PolarHBondContact OE1-OH 2.83Å; E128-Y252 VanDerWaalsContact OE1-OH 3.13Å; E128-Y252 PolarHBondContact OE2-OH 2.91Å; E128-Y252 VanDerWaalsContact OE2-OH 3.14Å; P250-Y252 HydrophobicContact CG-CE1 3.86Å; Y252-L254 PolarHBondContact O-N 3.36Å; Y252-L254 VanDerWaalsContact O-N 3.08Å
253V78.5Confident73.4Confident57 Ų57103.8 Ų103.835%0.34552%0.521SS..SBendtrans-7792.2169.5-173.80000109.9I72 R251I72-V253 HydrophobicContact CB-CG2 4.19Å; I72-V253 HydrophobicContact CG2-CG2 3.83Å; R251-V253 WeakPolarHBondContact CD-O 3.48Å
254L68.8Low71.9Confident113 Ų113109.4 Ų109.459%0.59255%0.548SS*.  trans-76.9144166.3-65.7176.3000110.5Y252 P256Y252-L254 PolarHBondContact O-N 3.36Å; Y252-L254 VanDerWaalsContact O-N 3.08Å; L254-P256 WeakPolarHBondContact O-CD 3.12Å
255D60.2Low69.8Low71 Ų71113 Ų11338%0.3856%0.563SS.*  trans-64.3125.3166.7177.1-6.6000108.6R257 K258D255-R257 PolarHBondContact O-N 3.35Å; D255-R257 VanDerWaalsContact O-N 3.09Å; D255-R257 VanDerWaalsContact OD1-CB 3.31Å; D255-R257 WeakPolarHBondContact OD1-CB 3.47Å; D255-R257 WeakPolarHBondContact OD1-CG 3.26Å; D255-R257 PolarHBondContact OD1-N 2.92Å; D255-K258 HydrophobicContact CB-CB 4.29Å; D255-K258 HydrophobicContact CB-CG 4.3Å; D255-K258 CarbonylContact O-C 3.6Å; D255-K258 WeakPolarHBondContact O-CA 3.2Å; D255-K258 PolarHBondContact O-N 3.25Å
256P58.4Low68.1Low104 Ų104111.9 Ų111.968%0.67556%0.555SS**G310 helixtrans-53.1-30.5176.8-28.236000113.7L254 K258 R259L254-P256 WeakPolarHBondContact O-CD 3.12Å; P256-K258 PolarHBondContact O-N 3.13Å; P256-R259 PolarHBondContact O-N 2.9Å
257R56.5Low66.3Low231 Ų231116.8 Ų116.887%0.87259%0.587SS**G310 helixtrans-71.5-8.2176.4-58.6173.5173.5-179-3113.6D255D255-R257 PolarHBondContact O-N 3.35Å; D255-R257 VanDerWaalsContact O-N 3.09Å; D255-R257 VanDerWaalsContact OD1-CB 3.31Å; D255-R257 WeakPolarHBondContact OD1-CB 3.47Å; D255-R257 WeakPolarHBondContact OD1-CG 3.26Å; D255-R257 PolarHBondContact OD1-N 2.92Å
258K54.2Low64.6Low155 Ų155120.2 Ų120.267%0.67459%0.591SS**G310 helixtrans-124.927-179.7-60-170.5180-1740112.5D255 P256 P260D255-K258 HydrophobicContact CB-CB 4.29Å; D255-K258 HydrophobicContact CB-CG 4.3Å; D255-K258 CarbonylContact O-C 3.6Å; D255-K258 WeakPolarHBondContact O-CA 3.2Å; D255-K258 PolarHBondContact O-N 3.25Å; P256-K258 PolarHBondContact O-N 3.13Å; K258-P260 WeakPolarHBondContact O-CD 3.37Å; K258-P260 VanDerWaalsContact O-N 3.16Å
259R49.7Very low62.7Low192 Ų192122 Ų12273%0.72560%0.599SS**  trans-61.3111.3158.3-72.5-173.3176-160.1-1.2107.1P256 H261P256-R259 PolarHBondContact O-N 2.9Å; R259-H261 PolarHBondContact O-N 2.86Å
260P51.3Low61Low93 Ų93131 Ų13160%0.60463%0.631SS**  trans-61.3134.7167.627.5-31.9000106.8K258 V262K258-P260 WeakPolarHBondContact O-CD 3.37Å; K258-P260 VanDerWaalsContact O-N 3.16Å; P260-V262 HydrophobicContact CB-CG2 4.32Å; P260-V262 HydrophobicContact CG-CG2 3.98Å; P260-V262 PolarHBondContact O-N 3.4Å
261H52.8Low58.8Low187 Ų187132.9 Ų132.987%0.86664%0.643SS**  trans-7578.2176.7-140.1-60.1000108R259 K263R259-H261 PolarHBondContact O-N 2.86Å; H261-K263 PolarHBondContact O-N 3.15Å
262V60.9Low56.6Low107 Ų107132.7 Ų132.765%0.64865%0.652SS**  trans-67.287.5177.8-172.90000107.1P260 I264P260-V262 HydrophobicContact CB-CG2 4.32Å; P260-V262 HydrophobicContact CG-CG2 3.98Å; P260-V262 PolarHBondContact O-N 3.4Å; V262-I264 HydrophobicContact CG1-CG1 3.86Å; V262-I264 PolarHBondContact O-N 2.89Å
263K48.2Very low54.6Low187 Ų187134.8 Ų134.881%0.81367%0.668SS**  trans-74.380.3176.2-158.3175.1-172.4-179.10106.6H261 Q265H261-K263 PolarHBondContact O-N 3.15Å; K263-Q265 PolarHBondContact O-N 3.41Å
264I61Low52.8Low145 Ų145137.7 Ų137.774%0.74469%0.691SS**  trans-61.593.6173.2-57.7177.8000106.2V262 P266V262-I264 HydrophobicContact CG1-CG1 3.86Å; V262-I264 PolarHBondContact O-N 2.89Å; I264-P266 VanDerWaalsContact O-CD 3.3Å; I264-P266 WeakPolarHBondContact O-CD 3.44Å
265Q49.5Very low51.6Low140 Ų140137.8 Ų137.865%0.65469%0.692SS**  trans-75.7113.9174-1711707.600106.6K263 I269K263-Q265 PolarHBondContact O-N 3.41Å; Q265-I269 HydrophobicContact CG-CD1 4.24Å
266P57.3Low50.6Low71 Ų71143.6 Ų143.646%0.46172%0.716SS.*  trans-62.5139.8177.126.5-33000108.7I264 F268 I269I264-P266 VanDerWaalsContact O-CD 3.3Å; I264-P266 WeakPolarHBondContact O-CD 3.44Å; P266-F268 PolarHBondContact O-N 2.95Å; P266-I269 HydrophobicContact CG-CD1 4.19Å; P266-I269 HydrophobicContact CG-CG1 4.27Å
267P53.1Low49.6Very low115 Ų115147.3 Ų147.375%0.74773%0.725SS**THydrogen-bonded Turntrans-72.621.1-167.929.9-36.9000114.9
268F55.2Low48.6Very low183 Ų183143.5 Ų143.580%0.80372%0.72SS**THydrogen-bonded Turntrans-125.58.1-173.1-59.2-62.1000114.2P266 R270P266-F268 PolarHBondContact O-N 2.95Å; F268-R270 PolarHBondContact O-N 3.26Å
269I50.7Low47.5Very low110 Ų110141.8 Ų141.856%0.56472%0.723SS**  trans-79.5105168.9-58.3-179.5000108.4Q265 P266Q265-I269 HydrophobicContact CG-CD1 4.24Å; P266-I269 HydrophobicContact CG-CD1 4.19Å; P266-I269 HydrophobicContact CG-CG1 4.27Å
270R52.4Low46.6Very low201 Ų201140.4 Ų140.476%0.75873%0.728SS**PPolyproline II helixtrans-61.7147.7171.1-64.4-180-179.6174-0.5110.1F268F268-R270 PolarHBondContact O-N 3.26Å
271P42.5Very low45.6Very low121 Ų121145.7 Ų145.779%0.78674%0.742SS**PPolyproline II helixtrans-57144.6169.1-22.233.4000111.5L273P271-L273 PolarHBondContact O-N 3.27Å
272D41.6Very low44.4Very low131 Ų131143.4 Ų143.470%0.70174%0.741SS**PPolyproline II helixtrans-72.5123.8168.9-95.7-38.6000109.9K295D272-K295 IonicContact OD1-NZ 2.62Å; D272-K295 PolarHBondContact OD1-NZ 3.24Å
273L44.6Very low43.2Very low116 Ų116142.7 Ų142.761%0.60774%0.74SS**PPolyproline II helixtrans-84.8138.2166.5-70.1165.8000108.3P271P271-L273 PolarHBondContact O-N 3.27Å
274S39.6Very low42.6Very low119 Ų119140.1 Ų140.183%0.83274%0.736SS**PPolyproline II helixtrans-85.5120.4179.852.90000111.4Q276S274-Q276 PolarHBondContact O-N 2.95Å
275D45.1Very low41.6Very low114 Ų114141 Ų14161%0.6174%0.742SS**  trans-73110.1178.2-61.7-56.7000112.2
276Q38.6Very low41Very low193 Ų193137.9 Ų137.990%0.90275%0.748SS**  trans-147.3147155.4-103.6-178.36.300110.1S274S274-Q276 PolarHBondContact O-N 2.95Å
277Q36Very low39.9Very low182 Ų182143 Ų14385%0.8577%0.768SS**  trans78.167.7173.4-155.6161.32100118.8
278I37.3Very low38.9Very low151 Ų151145.8 Ų145.877%0.77477%0.77SS**  12.4121.8113.2-29.6177.9000113.4
279T30.6Very low37.8Very low120 Ų120141.8 Ų141.874%0.73677%0.765SS**  -164.6135.165.4-50.50000112.2
280I30.6Very low36.8Very low162 Ų162142.2 Ų142.283%0.83177%0.773SS**  trans-104.9128.6166.4-64.4173.7000108.9
281K30.9Very low36Very low204 Ų204139.6 Ų139.689%0.88777%0.772SS**  trans-155.472.9161.4-146.8177.5-172.9-1760113.3
282V27.6Very low35.3Very low139 Ų139139.6 Ų139.684%0.84277%0.77SS**  trans-127.3131.2157.5178.50000107
283S34.2Very low34.7Very low92 Ų92138.2 Ų138.264%0.64376%0.763SS**  trans-104.5141.4174.348.90000110.5
284D35.3Very low34.3Very low134 Ų134135.4 Ų135.472%0.71775%0.753SS**SBendtrans74.1124.7155.6-50.5-26.8000120.9
285N42Very low34Very low162 Ų162136.7 Ų136.787%0.86674%0.744SS**SBendtrans64.460140.9-59-21.9000120
286G35.1Very low34.2Very low76 Ų76136.8 Ų136.878%0.78475%0.753SS**  trans91.9154.9159.100000114.4
287M35.1Very low34.1Very low179 Ų179137.7 Ų137.788%0.88275%0.754SS**  cis-153.6157.3-3.4-170.9168.464.200108.4
288H32.3Very low33.9Very low173 Ų173134.4 Ų134.480%0.80175%0.751SS**  trans80.3150174.6-117.5-108.4000119.3
289S31.2Very low33.5Very low98 Ų98132.3 Ų132.369%0.68575%0.75SS**  trans68.8110.5161.345.10000123.6
290T29.8Very low33.6Very low119 Ų119134 Ų13473%0.7375%0.753SS**  86.698.1117.6-520000122.5
291I35.1Very low33.7Very low146 Ų146133.5 Ų133.575%0.74975%0.752SS**  trans88.5144.6136.1-67.6175.8000122.4
292T28.1Very low33.6Very low122 Ų122126.8 Ų126.875%0.74874%0.74SS**  trans81.6116.5163.829.20000124.3
293N30.3Very low33.9Very low101 Ų101127.9 Ų127.954%0.5474%0.741SS.*  trans-7.8162.8130.7-69.3-13.3000120.4
294S35.8Very low33.7Very low57 Ų57131 Ų13140%0.39975%0.751SS.*  cis-177.8172.7-20.661.70000112.6
295K32.5Very low33.5Very low147 Ų147128.7 Ų128.764%0.63976%0.758SS**  trans82.7159.9151.6-74.2-177-177.1-162.10121.2D272D272-K295 IonicContact OD1-NZ 2.62Å; D272-K295 PolarHBondContact OD1-NZ 3.24Å
296S50.4Low33Very low115 Ų115128.9 Ų128.980%0.80475%0.751SS**  trans-136164.5-176.956.60000109.7
297K36Very low32.6Very low212 Ų212132.2 Ų132.292%0.92275%0.746SS**  trans-156.4167.2158.3-131.5174.1-178177.40113.8
298S32.3Very low32.4Very low114 Ų114130.1 Ų130.180%0.79774%0.743SS**  trans-134.7162.3-16250.70000114.4
299S29.2Very low32.4Very low107 Ų107130.3 Ų130.375%0.74875%0.745SS**  trans-175.5169.3-179510000108.2
300I32.5Very low32.7Very low155 Ų155131.4 Ų131.480%0.79575%0.749SS**  cis-165.6149-21.4-102.9166000105.3
301D31.6Very low33.2Very low151 Ų151131.7 Ų131.781%0.80775%0.753SS**  cis-169.3167-33.2-137.7-60.3000109.8
302G28.7Very low33.3Very low63 Ų63132.6 Ų132.665%0.64976%0.759SS**  trans95.2173156.100000121.7
303L33.8Very low33.9Very low162 Ų162132.2 Ų132.285%0.84876%0.759SS**  trans84.8129165.5-64.9168.3000121.8
304D31.6Very low34.4Very low159 Ų159133.4 Ų133.485%0.8577%0.772SS**  trans29.7131151.2-58.9-23.9000122.8
305G29.9Very low34.2Very low84 Ų84140.4 Ų140.487%0.86680%0.795SS**  trans-168.1126.9168.500000113.2
306K31.6Very low34.4Very low167 Ų167138.3 Ų138.373%0.72681%0.805SS**  trans-103.2147.9-176.3-165.3177.1170.2-94.20110.4
307E27.9Very low33.7Very low146 Ų146140 Ų14068%0.68281%0.805SS**  trans77.5144.9148.8-121.3147-150.600122.5
308T30.4Very low33.7Very low134 Ų134139.7 Ų139.782%0.82280%0.798SS**  trans83.1154.5153.7-12.40000120.8
309Q31.8Very low33.6Very low177 Ų177142 Ų14283%0.82779%0.791SS**PPolyproline II helixtrans-79.8154.7-178.9-64.4173.9-4800113
310P36.9Very low33.7Very low121 Ų121142.6 Ų142.679%0.78679%0.785SS**PPolyproline II helixtrans-76.7135.3166.631.8-33.4000112
311P40.5Very low33.5Very low125 Ų125142.3 Ų142.381%0.81278%0.781SS**PPolyproline II helixtrans-86.8169.117635.1-35.6000113.5
312L38.3Very low33.6Very low165 Ų165141.7 Ų141.786%0.86478%0.777SS**PPolyproline II helixtrans-73.8151.8174.2-70.9164.8000112.4
313P40.7Very low33.7Very low115 Ų115147.9 Ų147.975%0.74779%0.786SS**PPolyproline II helixtrans-75.1147.6-17930.5-35.5000113.5
314P39.7Very low33.4Very low126 Ų126143.3 Ų143.382%0.81878%0.777SS**PPolyproline II helixtrans-83.1167.4-179.234.6-36.5000113.8
315K33Very low33.2Very low203 Ų203144 Ų14488%0.88378%0.776SS**PPolyproline II helixtrans-88.7163.8172.1-64.1179.6180177.90111.6
316A36.3Very low33Very low103 Ų103146.2 Ų146.285%0.85177%0.767SS**PPolyproline II helixtrans-101.6150.5163.500000110.7
317D34.6Very low32.8Very low152 Ų152143.8 Ų143.881%0.81377%0.766SS**  trans-112.3173.1-170.7-88.3-44.2000113.9
318R35.7Very low32.8Very low205 Ų205142 Ų14277%0.77477%0.77SS**  trans88.2142.2163.8-52.7-164.8169.6-160.7-4.4116.5
319Y29.9Very low32.6Very low163 Ų163139.9 Ų139.964%0.63976%0.761SS**  cis-155.8152.2-1.6-131.1-150.7000110.2
320N31.3Very low32.4Very low118 Ų118139.5 Ų139.563%0.63176%0.759SS**  trans43.3146.2143.1-67.41.7000121.4
321Q30.1Very low32Very low149 Ų149142 Ų14270%0.69676%0.76SS**  cis-166.6152.811.3-131.5-179.7-9.600110.5
322L32.4Very low31.4Very low138 Ų138140.3 Ų140.372%0.72375%0.751SS**  trans61.7148153.6-68.2158.9000118
323K30.5Very low30.9Very low194 Ų194136.9 Ų136.984%0.84374%0.741SS**  cis-150.2172.4-4.1-152.4172.4-176.3-179.10108.5
324G28.2Very low30.3Very low65 Ų65139.3 Ų139.367%0.6775%0.747SS**  trans-72.4-172.1169.600000113.5
325Q26.8Very low29.7Very low174 Ų174138.2 Ų138.281%0.81374%0.742SS**  cis-169.2162.112.3-139.7-175.3-33.100110.6
326L27.3Very low29.5Very low131 Ų131131.5 Ų131.569%0.68673%0.731SS**  trans71.4131.7152.8-68162.2000123
327T26.3Very low29.3Very low116 Ų116134.4 Ų134.471%0.71272%0.724SS**  trans73147.113551.50000125.1
328S27.5Very low29.2Very low108 Ų108133.5 Ų133.576%0.75572%0.724SS**  trans61.8129161.2390000117.8
329S26.9Very low29Very low90 Ų90130.2 Ų130.263%0.62972%0.718SS**  cis91.6130.839-159.10000112.7
330E28.4Very low29.8Very low168 Ų168127.6 Ų127.679%0.78572%0.721SS**  trans60.5162.3169.3-73.6135.8140.700116.7
331E28.3Very low30Very low173 Ų173126.6 Ų126.681%0.80872%0.723SS**  cis-150.8169.6-40-135.7-159.4153.200110.1
332S27Very low30.1Very low91 Ų91125.5 Ų125.564%0.63673%0.726SS**  trans50.1119.5143.8-146.90000123.3
333S27.5Very low30.6Very low92 Ų92124.8 Ų124.864%0.64373%0.73SS**  88133.4129.6790000123.5
334L29Very low30.7Very low166 Ų166118.7 Ų118.787%0.86972%0.715SS**  trans54.2155.7133.6-60.5168.9000121.4
335S27.4Very low30.7Very low103 Ų103123.2 Ų123.272%0.7272%0.721SS**  cis176.1133.3-24.2173.90000109.8
336G28.9Very low30.9Very low63 Ų63123.6 Ų123.665%0.64972%0.717SS**  trans155.8114.7169.500000111.8
337K30.5Very low31Very low164 Ų164128.1 Ų128.171%0.71372%0.724SS**  64.513761.1-60.3-176.5174.5-172.10111.9
338T33.5Very low30.9Very low133 Ų133131.7 Ų131.782%0.81673%0.73SS**  cis-155.7155.145.746.10000113.6
339H31.7Very low30.8Very low136 Ų136135.3 Ų135.363%0.6373%0.733SS**  cis-162.7-41-26-138.6-43.5000116.8
340P45.4Very low31.6Very low108 Ų108136.3 Ų136.370%0.70174%0.737SS**  trans-134.2179-158.146.2-30.4000115.6
341S35.4Very low31.5Very low97 Ų97134.2 Ų134.268%0.67874%0.741SS**  cis-144.9143.320.8-650000110.2
342T33.3Very low31.6Very low126 Ų126136.6 Ų136.677%0.77375%0.749SS**  55.4152.965.159.40000114.5
343P43.2Very low31.7Very low123 Ų123135.6 Ų135.680%0.79975%0.753SS**  cis-131.2-174.617.223.43000115.5
344A32.9Very low31.7Very low65 Ų65138.2 Ų138.254%0.53777%0.765SS.*  cis-170.5147.7-32.200000113.6Y346A344-Y346 WeakPolarHBondContact O-CE2 3.44Å
345M28.5Very low32Very low160 Ų160137.5 Ų137.579%0.78876%0.759SS**  trans61.5-176.8152.4-144.1138.757.400115.4
346Y30.5Very low32.3Very low183 Ų183138.8 Ų138.872%0.71877%0.765SS**  cis-150.3173.28.7-41.2-114.5000109.3A344A344-Y346 WeakPolarHBondContact O-CE2 3.44Å
347R28Very low32.3Very low226 Ų226144 Ų14485%0.85377%0.77SS**  cis-141.6-96.8-6.6-149.9174.7-174.3173.41.7112.8
348F24.8Very low32.2Very low191 Ų191141.4 Ų141.484%0.83877%0.767SS**  trans-149.4140-170.8-113.3-121.8000111.6
349K26.8Very low31.7Very low184 Ų184140.8 Ų140.880%0.876%0.755SS**  26157.8124-125.6179.8-178.5-178.80120.6
350P43.3Very low31.4Very low110 Ų110144.1 Ų144.171%0.71476%0.764SS**  -125.6178.7-63.941.1-27.6000112.5
351S24.7Very low30.5Very low125 Ų125146.1 Ų146.187%0.87476%0.763SS**  trans-153.3147.6163.3-83.10000112.7
352F30.5Very low30.1Very low222 Ų222148.3 Ų148.397%0.97477%0.773SS**  trans-137.4131.7174.2-122-76.2000110.3
353G29.2Very low29.8Very low70 Ų70147.5 Ų147.572%0.72278%0.779SS**  trans91.3129.1150.800000119.2
354T29.2Very low29.1Very low147 Ų147145.2 Ų145.290%0.90278%0.778SS**  trans-132.2142142.342.60000108.1
355M34.5Very low28.8Very low151 Ų151150.3 Ų150.374%0.74479%0.791SS**  trans-105.2-168.7172.6-55.1-164.885.800109.6
356P34.5Very low28.7Very low130 Ų130150.7 Ų150.784%0.84479%0.788SS**  -125.7162.398.9-0.821.8000116.1
357K28.7Very low28.5Very low173 Ų173148.9 Ų148.975%0.75279%0.789SS**  trans-97.3-150.6161.6-58.1174.6-178.8175.50107.6
358V26.7Very low28.3Very low109 Ų109144.5 Ų144.566%0.66179%0.787SS**  cis-153177.72.5-119.40000105.5
359H24.3Very low28.4Very low120 Ų120143.7 Ų143.756%0.55679%0.788SS**  cis-118-165.310.3-70.2-97.7000108.8H361H359-H361 AromaticContact CE1-NE2 3.84Å; H359-H361 AromaticContact ND1-CD2 3.31Å; H359-H361 PolarHBondContact ND1-CD2 3.21Å; H359-H361 VanDerWaalsContact ND1-CD2 3.31Å; H359-H361 AromaticContact ND1-NE2 3.09Å; H359-H361 PolarHBondContact ND1-NE2 2.88Å
360Y25.1Very low28.8Very low207 Ų207140.1 Ų140.181%0.81278%0.784SS**  cis-131.2135.36.2-76.7-88.5000108.6
361H26.4Very low28.1Very low149 Ų149142.8 Ų142.869%0.6979%0.792SS**  70.8108.475-74.3-74.3000115.3H359H359-H361 AromaticContact CE1-NE2 3.84Å; H359-H361 AromaticContact ND1-CD2 3.31Å; H359-H361 PolarHBondContact ND1-CD2 3.21Å; H359-H361 VanDerWaalsContact ND1-CD2 3.31Å; H359-H361 AromaticContact ND1-NE2 3.09Å; H359-H361 PolarHBondContact ND1-NE2 2.88Å
362T26.8Very low28.2Very low143 Ų143140.1 Ų140.188%0.87778%0.784SS**  trans-97153.8156.1440000110.2
363A27Very low28.1Very low109 Ų109140.5 Ų140.590%0.90178%0.779SS**  trans-143.3161.1162.200000107.7
364G29Very low28.1Very low76 Ų76146.5 Ų146.578%0.78479%0.785SS**  trans-170.8133.6178.700000114.9
365E25.7Very low28.1Very low172 Ų172145.9 Ų145.980%0.80478%0.777SS**  trans-143.3120.3167.2-80.1-159.6109.700105.9
366K27Very low27.8Very low168 Ų168144.1 Ų144.173%0.7378%0.779SS**  81.3114.384.6-89.3-174.9171.5176.90115
367I25.4Very low27.6Very low145 Ų145141.9 Ų141.974%0.74477%0.772SS**  trans66.3108.1140.8-52.2162.7000117.5
368V24.8Very low27.9Very low134 Ų134141.6 Ų141.681%0.81278%0.776SS**  -145.9137.4110.1176.80000109.1
369M27.6Very low28Very low174 Ų174144.3 Ų144.386%0.85779%0.787SS**  trans-138.6149.9156.1-88.3-73.3-168.500106.2
370P34.9Very low28.1Very low109 Ų109146.9 Ų146.971%0.70880%0.799SS**  -144.1163.111637-23.1000116.2
371D27Very low28.2Very low166 Ų166146 Ų14689%0.88880%0.802SS**  trans-45.4158.2-179.9-51.2-69.6000118.4
372G27.7Very low28.1Very low69 Ų69142.3 Ų142.371%0.71180%0.804SS**  cis147.9-161.4-7.200000115.3
373R27.9Very low28.1Very low230 Ų230142 Ų14287%0.86880%0.801SS**  trans65.399.8161.3-162.9-173.3-168-176.66119.1
374K30Very low28.1Very low196 Ų196148.1 Ų148.185%0.85280%0.801SS**  -167.9150116-104.6162.8-171.3176.30115.1
375N28.7Very low28.1Very low134 Ų134149.5 Ų149.572%0.71780%0.799SS**  trans-54.9158.7-171.5-43.5-8.5000117.1
376S28.4Very low28.2Very low113 Ų113148.8 Ų148.879%0.7980%0.801SS**  trans53.3133.1139.863.50000119.7
377A31.2Very low28.3Very low84 Ų84152.2 Ų152.269%0.69481%0.811SS**  cis-161.3159.427.600000113.6
378I33.8Very low28.5Very low166 Ų166155.8 Ų155.885%0.85182%0.815SS**  trans50.291.4150.8-56.6164.1000116.8
379L29.3Very low28.7Very low167 Ų167155 Ų15587%0.87482%0.815SS**  trans-9114.5150.9-164.379.9000117.6
380E27.1Very low29.1Very low174 Ų174154 Ų15481%0.81381%0.808SS**  trans-109163.6156.3-103.5-81.185.700109.3
381E25.5Very low28.8Very low189 Ų189154.1 Ų154.188%0.88381%0.809SS**  trans65.9125.2162.3-149.4164-145.200118.6
382G25.8Very low28.6Very low70 Ų70152.7 Ų152.772%0.72280%0.801SS**  trans-172.824-168.300000119.7
383V26.2Very low28.8Very low136 Ų136156 Ų15682%0.82480%0.802SS**  trans56.498.4163.8-170.30000117.7
384R27.3Very low28.7Very low238 Ų238152.3 Ų152.390%0.89880%0.8SS**  -172.7140.4126.9-112.7172.9-178.9172.72.2116.7
385S29.3Very low29Very low106 Ų106150.5 Ų150.574%0.74180%0.799SS**  trans68.5111.8151.9-157.40000118.2
386D27.3Very low29.1Very low157 Ų157150.3 Ų150.384%0.8480%0.804SS**  trans-55.8149.9174.5-45.3-85.2000113.5
387Y28.4Very low29.1Very low240 Ų240153 Ų15394%0.94181%0.805SS**  trans-106.4165.6168.8-123.6-95.6000111.8
388R31.2Very low28.9Very low220 Ų220159.9 Ų159.983%0.8381%0.814SS**  trans-103.9132-156.4172.3-168.8-176173.12.8114
389S29Very low28.7Very low116 Ų116155.1 Ų155.181%0.81180%0.799SS**  trans-151.3137.4153.952.10000112.7
390E34.5Very low28.6Very low154 Ų154155 Ų15572%0.7280%0.8SS**  trans-53.3156.5162-69.7-75.5151.300110.9
391P30Very low28.7Very low112 Ų112150.9 Ų150.973%0.72780%0.795SS**  -155.1170.551.643.7-23.6000120.1
392N23.3Very low29.2Very low135 Ų135146.8 Ų146.872%0.72279%0.785SS**  trans60.6151147.9-99.7-36.9000121.5
393L30Very low29.4Very low140 Ų140150.2 Ų150.273%0.73379%0.787SS**  trans36.4121.2151.4-68.3162.3000117.9
394D27Very low29.4Very low152 Ų152149.7 Ų149.781%0.81378%0.775SS**  -169.5173.471.4-103.7-36.9000114
395L35.8Very low29.3Very low158 Ų158147.7 Ų147.783%0.82777%0.767SS**  trans-105.9126.2171.9-162.381.6000110.1E397L395-E397 PolarHBondContact O-N 3.48Å
396P32.2Very low29.2Very low129 Ų129147.2 Ų147.284%0.83876%0.76SS**  trans-79.295-179.230.8-34000111.7
397E26.4Very low29.1Very low171 Ų171147.9 Ų147.980%0.79976%0.756SS**  trans-92.1131160.8-175167.8-12800109.3L395L395-E397 PolarHBondContact O-N 3.48Å
398Y28Very low28.8Very low228 Ų228144.5 Ų144.589%0.89475%0.749SS**  trans-128.283.1169.6-136.9-70.5000109.7
399A29.3Very low28.5Very low65 Ų65139.7 Ų139.754%0.53775%0.749SS.*  trans-77.8143.3170.100000110.5
400N27.7Very low28.3Very low164 Ų164139.4 Ų139.488%0.87775%0.746SS**  -143.2140.2129.3-99.3-50.3000108.4
401A29.3Very low28.2Very low88 Ų88137.1 Ų137.173%0.72775%0.745SS**  trans-116-143.8-16800000107.9
402P35.5Very low28Very low103 Ų103139.3 Ų139.367%0.66975%0.745SS**  cis-143.6-174.35.346.8-28.2000116.3
403L30.1Very low28Very low143 Ų143139.8 Ų139.875%0.74974%0.743SS**  trans68.2144.1156.2-62.9-176.6000118.7
404H25.6Very low27.8Very low124 Ų124139.7 Ų139.757%0.57474%0.742SS**  cis-167.4155.7-25.7-137.5-166.9000109.8
405R26.5Very low27.7Very low197 Ų197138.7 Ų138.774%0.74374%0.737SS**  trans37.6143.4135-70.4-170.1-161.5-178.47.3120.8
406T25.9Very low27.2Very low96 Ų96135.4 Ų135.459%0.58973%0.733SS**  cis-167.2167.119.2-1.60000113.6
407F25.1Very low27Very low170 Ų170136.2 Ų136.275%0.74673%0.73SS**  trans50.6113.8149-65-49.2000119.3
408Q22.2Very low27.9Very low170 Ų170132 Ų13279%0.79472%0.717SS**  89.2107.962.2178.2-16842.600113
409S25.6Very low27.9Very low119 Ų119126.9 Ų126.983%0.83271%0.71SS**  trans-162.4147.2134.249.90000110.7
410S23.6Very low27.8Very low109 Ų109130 Ų13076%0.76272%0.718SS**  trans-128.7151.1159.7-177.20000105.5
411P33.8Very low27.9Very low106 Ų106126.5 Ų126.569%0.68871%0.706SS**  -145.4162108.537.8-23000114.6
412H25.2Very low27.9Very low159 Ų159131.1 Ų131.174%0.73671%0.712SS**  trans29.6151.4132.9-65.7-100.3000121.6
413Q24.1Very low27.6Very low144 Ų144132.7 Ų132.767%0.67372%0.72SS**  cis177.2175.8-12-173.8176.60.500106.2
414L24.9Very low27.7Very low138 Ų138134 Ų13472%0.72373%0.727SS**  trans72.7149.1167.1-51.4177.1000114.2
415D24.8Very low28Very low132 Ų132133 Ų13371%0.70673%0.734SS**  cis-130.7165.7-8.5-89.1-44.8000107.5
416A25.3Very low28.1Very low88 Ų88131.4 Ų131.473%0.72774%0.739SS**  50142.864.100000113.4
417D28.4Very low28.2Very low147 Ų147134.8 Ų134.879%0.78675%0.746SS**  cis-145.1-136.45.5-159.417.6000110.9
418P45.2Very low28.5Very low82 Ų82135 Ų13553%0.53275%0.749SS.*  trans-133.9-163.7-138.243.7-21.6000116
419T27.5Very low28.8Very low121 Ų121130.4 Ų130.474%0.74275%0.747SS**  trans68.8167.6156.661.30000117.4
420N27.3Very low29Very low131 Ų131133.1 Ų133.170%0.70175%0.746SS**  cis-144.2164.63.6-140.2-24.6000115.3
421S30.8Very low29.2Very low90 Ų90136.8 Ų136.863%0.62975%0.751SS**  trans-60166164.163.60000115
422H28.5Very low29Very low185 Ų185141.1 Ų141.186%0.85675%0.754SS**  trans-138.2139.8161.7-91.6-76.9000113.1
423T29.2Very low30Very low136 Ų136138.6 Ų138.683%0.83475%0.752SS**  trans-136.6163.7165.843.40000110
424L31.9Very low30.5Very low169 Ų169137.9 Ų137.989%0.88575%0.748SS**  trans-77.1129.2-173.7-63.8165.4000110.5
425S32Very low30.8Very low104 Ų104141.4 Ų141.473%0.72776%0.758SS**  89.1121.756.8-176.50000113.9
426L28.8Very low31.1Very low164 Ų164138.7 Ų138.786%0.85976%0.761SS**  trans-161.2137.4157.3-142.282.2000114.6
427K28.1Very low31.4Very low166 Ų166142.8 Ų142.872%0.72277%0.765SS**  trans7789.3142.1-152.3162.8-174.4-178.50122.9
428Q32.4Very low31.5Very low175 Ų175142.5 Ų142.582%0.81876%0.763SS**  65.7118.9112.7-166.6-179.213.700121.5
429G28Very low30.8Very low73 Ų73146.5 Ų146.575%0.75377%0.774SS**  trans178.2133.8162.500000114.8
430H28.6Very low30.7Very low176 Ų176146.1 Ų146.182%0.81577%0.771SS**  trans-64.7147-177.4-70.8-119.1000113.5
431H28.2Very low30.9Very low187 Ų187147.5 Ų147.587%0.86678%0.778SS**  -171.4167.482.6-108.5-90.9000115.4
432R30.4Very low32Very low197 Ų197148.2 Ų148.274%0.74378%0.78SS**  trans-119.2172.4170.3-147.7-172.8145.7157.5-7.5106.8E434R432-E434 IonicContact CZ-OE1 3.75Å; R432-E434 IonicContact NE-OE1 3.7Å; R432-E434 PolarHBondContact NE-OE1 3.13Å; R432-E434 IonicContact NH2-OE1 2.67Å; R432-E434 PolarHBondContact NH2-OE1 2.97Å; R432-E434 IonicContact NH2-OE2 3.83Å
433P45.9Very low33.2Very low106 Ų106144.5 Ų144.569%0.68877%0.773SS**  cis-139.8-155.12.752.4-33.9000112.4
434E35.3Very low33.4Very low129 Ų129145.4 Ų145.460%0.60377%0.767SS**  cis-166.2-175.2-25.1-121.2161.6-104.600112.6R432R432-E434 IonicContact CZ-OE1 3.75Å; R432-E434 IonicContact NE-OE1 3.7Å; R432-E434 PolarHBondContact NE-OE1 3.13Å; R432-E434 IonicContact NH2-OE1 2.67Å; R432-E434 PolarHBondContact NH2-OE1 2.97Å; R432-E434 IonicContact NH2-OE2 3.83Å
435K30.9Very low33.4Very low212 Ų212142.7 Ų142.792%0.92276%0.758SS**  trans83.3145170.8-51.4176-177.7178.90114.9
436G29.9Very low33.4Very low75 Ų75144 Ų14477%0.77376%0.762SS**  cis159.6164.50.700000108.4
437Q32.4Very low33.4Very low174 Ų174140.4 Ų140.481%0.81376%0.755SS**  cis-170.8157.3-1.8-163.3-177-19.900109.9
438L29.4Very low33.5Very low141 Ų141137.8 Ų137.874%0.73876%0.758SS**  trans72.8179.6160.1-80.1155.7000121.5
439Q30.5Very low33.3Very low166 Ų166135 Ų13578%0.77675%0.753SS**  -163.7-177.9-114.5-171.2179.544.600113.2
440V26.9Very low33.4Very low112 Ų112135.4 Ų135.468%0.67975%0.749SS**  trans102.192.6154.4-170.50000120.9
441L31.1Very low33.3Very low160 Ų160137.2 Ų137.284%0.83875%0.75SS**  70.1171.2114.9-86165.2000123
442P53.8Low33.4Very low105 Ų105138.1 Ų138.168%0.68275%0.752SS**  -127.5-144.6-129.849-31.3000113.9
443P53.3Low33.2Very low107 Ų107132 Ų13270%0.69575%0.75SS**  cis-131.4-142-11.632.9-5.6000113.2
444Q33.7Very low32.4Very low155 Ų155133 Ų13372%0.72475%0.754SS**  cis-167.8171.52.6-142.5-173.2140.500113
445T31.8Very low32Very low113 Ų113136.2 Ų136.269%0.69377%0.766SS**  trans65.9150.9149.850.40000121.9
446V32.8Very low31.8Very low132 Ų132131.2 Ų131.280%0.876%0.758SS**  cis-163.7170.3-6.2117.10000113.7
447A28.3Very low32.2Very low87 Ų87132.9 Ų132.972%0.71976%0.755SS**  trans90.4144.8161.300000119.7
448S28.8Very low31.9Very low112 Ų112131.8 Ų131.878%0.78376%0.755SS**  cis-160.9171.5-18.454.90000113.3
449T29.5Very low31.9Very low116 Ų116132.2 Ų132.271%0.71276%0.764SS**  trans-42.7148.7-17950.10000118.5
450A30.2Very low31.7Very low82 Ų82132.5 Ų132.568%0.67877%0.769SS**  cis103.6107.713.800000117.9
451Y25.8Very low31.7Very low213 Ų213132.1 Ų132.184%0.83577%0.772SS**  trans-158.9132.9165-74.1-62.6000116.2
452K30.3Very low31.5Very low207 Ų207131 Ų13190%0.977%0.766SS**  trans42.9164.6145.5-64.1-178.1179177.80122.8
453G26.6Very low30.3Very low67 Ų67135.4 Ų135.469%0.69177%0.77SS**  trans-152.4-125.8-178.400000114.5
454V28.4Very low29.1Very low128 Ų128137.5 Ų137.578%0.77678%0.775SS**  trans91.1144.3174-155.50000117.8
455F28Very low28.8Very low196 Ų196133.9 Ų133.986%0.8678%0.779SS**  trans90.2135.2162.2-70.9-65000123.3
456S26.7Very low28.6Very low107 Ų107133.9 Ų133.975%0.74878%0.784SS**  trans-123.1162.4153.8-40.90000106.7
457P38.2Very low28.4Very low110 Ų110135.9 Ų135.971%0.71479%0.789SS**  -158.2176.475.842.2-21.4000118
458N26.6Very low28.3Very low152 Ų152137.3 Ų137.381%0.81379%0.794SS**  trans33.1131.6147-60.6-5.8000123.1
459T28.6Very low28.1Very low150 Ų150140.6 Ų140.692%0.9279%0.791SS**  trans-158.9172.1131.50.90000112.1
460L27.2Very low28Very low171 Ų171141.3 Ų141.390%0.89579%0.79SS**  trans-107.3169.1-168.6-76.7153.9000113.8
461S26.9Very low28.1Very low105 Ų105143.1 Ų143.173%0.73480%0.798SS**  trans104.795.7140.3-151.50000120.2
462N26.6Very low28.3Very low135 Ų135138.5 Ų138.572%0.72279%0.787SS**  75.5137.4115.1-156.617.3000122.3
463R28.3Very low28.2Very low198 Ų198135.7 Ų135.775%0.74778%0.781SS**  trans75.6121153.6-99.4178169-176.4-4.3122
464N28.8Very low28.3Very low152 Ų152139.2 Ų139.281%0.81378%0.784SS**  trans58.5115.9138.6-60.13.2000120
465G25.8Very low28.8Very low79 Ų79137.5 Ų137.581%0.81478%0.775SS**  trans-168.6137.5166.100000113.4
466S27.8Very low28.7Very low112 Ų112134.1 Ų134.178%0.78378%0.776SS**  trans-51.2150.8-178.347.70000118.4
467L28.3Very low28.7Very low174 Ų174136 Ų13691%0.91178%0.776SS**  trans2.2126.6136.2-65.3161.3000117.5
468S28Very low28.3Very low118 Ų118135.8 Ų135.883%0.82578%0.777SS**  -148.3156.7128.2-169.80000110.7
469Y24.3Very low28.9Very low181 Ų181134 Ų13471%0.7177%0.774SS**  trans-84.2-179.9163.1-159.6-105.6000109.4
470D26.7Very low28.7Very low131 Ų131131.3 Ų131.370%0.70177%0.767SS**  trans68.4138.4-171.9-55-40.2000114.4
471S31.3Very low28.6Very low120 Ų120128.3 Ų128.384%0.83976%0.76SS**  cis-107.1142.215.6-58.70000115.3
472L30.9Very low28.6Very low115 Ų115127.3 Ų127.360%0.60276%0.758SS**  trans-67.9156.2159.6-69.5165.4000111.4
473L27.5Very low28.6Very low148 Ų148127.3 Ų127.378%0.77576%0.758SS**  18129.5127.7-47.9176.7000115.8
474N29.3Very low28.7Very low142 Ų142125.3 Ų125.376%0.75976%0.758SS**  cis-165.2-15114.7-153.919.1000111.1
475P39Very low28.6Very low92 Ų92123.2 Ų123.260%0.59775%0.753SS**  -104.9166.5-103.836.5-20.5000115.1
476S25.5Very low28.6Very low124 Ų124128 Ų12887%0.86776%0.757SS**  trans-131.6139.8148.357.60000109.7
477I27.6Very low28.6Very low146 Ų146127.6 Ų127.675%0.74976%0.76SS**  trans-126.3135.4-170.6-75.3176000109.2
478S28.6Very low28.6Very low106 Ų106127.8 Ų127.874%0.74176%0.756SS**  trans69.8163.3162.2-74.30000118.1
479P39Very low28.5Very low114 Ų114134.4 Ų134.474%0.7476%0.763SS**  cis-139.5-179-35.337.2-21.3000113.6
480A25.6Very low28.7Very low94 Ų94129.5 Ų129.578%0.77777%0.768SS**  trans70.1150.7151.900000118
481S26Very low29Very low109 Ų109131.6 Ų131.676%0.76278%0.775SS**  cis-163155.2-7.843.70000113.4
482A25.4Very low29.3Very low83 Ų83131.5 Ų131.569%0.68677%0.772SS**  trans82.7154.8146.500000120.7
483N27.6Very low29.1Very low135 Ų135130.9 Ų130.972%0.72278%0.777SS**  trans70.1136.4172-65.325.9000117.4
484E29.2Very low29.3Very low157 Ų157132.9 Ų132.973%0.73479%0.785SS**  cis-155.4159.10.1-125.2169.812000115.8
485C27.8Very low29.1Very low107 Ų107129.4 Ų129.472%0.72378%0.782SS**  trans38.5108.4152.5-70.10000124
486M25.3Very low28.6Very low180 Ų180135.2 Ų135.289%0.88780%0.799SS**  trans15.3129.5133.1-61.5-171.5177.200122.2
487A28.5Very low28.7Very low104 Ų104138.4 Ų138.486%0.8680%0.799SS**  trans-151.3154.1131.700000110.5
488H27Very low28.7Very low177 Ų177136.3 Ų136.382%0.81980%0.797SS**  trans-107.1161.9-174-83.2-91.3000114.4
489R27.1Very low29.2Very low258 Ų258136.8 Ų136.897%0.97480%0.798SS**  trans105.5129.4132.9-146.9179.9-155-177.66.1117.2
490G28Very low28.8Very low78 Ų78141.3 Ų141.380%0.80480%0.802SS**  trans135.181.7159.500000117.2
491M32Very low29.1Very low174 Ų174144.3 Ų144.386%0.85780%0.804SS**  trans-106.6157.9154-130.3-156.6-174.500107.3
492P38.2Very low30Very low119 Ų119144 Ų14477%0.77380%0.8SS**  -149.315863.139.5-19.8000118.8
493S28.2Very low30.1Very low101 Ų101146.4 Ų146.471%0.70681%0.806SS**  trans25.3123.7140.6-161.60000122.6
494M30Very low30.2Very low191 Ų191149.2 Ų149.294%0.94181%0.811SS**  trans-139.2157.6140.4-72.1-168.1-179.600107.9
495G26.2Very low30.1Very low69 Ų69149.3 Ų149.371%0.71181%0.814SS**  cis141.893.52.700000110.1
496F28.5Very low30.1Very low214 Ų214148.9 Ų148.994%0.93981%0.811SS**  trans-70.7134.4-177.1-93.1-91.9000112.5
497H27.7Very low30.2Very low191 Ų191148 Ų14888%0.88480%0.804SS**  trans-144.3153161.4-104-87.6000112.1
498S26.8Very low30.2Very low101 Ų101149.9 Ų149.971%0.70680%0.799SS**  trans-118.6137.7177.9177.90000109.9
499P39.5Very low30.2Very low116 Ų116152.7 Ų152.775%0.75380%0.802SS**  trans-105.4147.6178.937.4-31.3000113.9
500Y29.4Very low30.1Very low210 Ų210148.9 Ų148.982%0.82480%0.795SS**  trans-148.8135.3164.7-105.9-76.5000109.8
501L33Very low30.1Very low157 Ų157149.6 Ų149.682%0.82279%0.788SS**  trans71.7159.6163.9-56.5176.9000118
502P44.8Very low29.9Very low103 Ų103149 Ų14967%0.66978%0.783SS**  cis-146164.4-39.839.9-23.3000117.7
503T28.3Very low29.5Very low133 Ų133149.8 Ų149.882%0.81678%0.779SS**  trans80.1151.3151-1.10000122.8
504K28.3Very low29.5Very low193 Ų193151.6 Ų151.684%0.83978%0.776SS**  trans79.2144.5172.7-65.8-173.9178.5-178.40117.4
505M27.1Very low29.4Very low160 Ų160151.4 Ų151.479%0.78877%0.765SS**  cis-168.9150-20.6-174.4158.6175.700111.1
506C28.1Very low29.3Very low98 Ų98153.6 Ų153.666%0.66276%0.757SS**  trans64.5147.8174.9-66.80000116.9
507H27.6Very low29.2Very low160 Ų160151.1 Ų151.174%0.74175%0.748SS**  cis-142.914829.6-94.4-91.3000115
508I28.8Very low29.1Very low145 Ų145148.4 Ų148.474%0.74475%0.745SS**  34.1124.9128.3-54.5-178.7000117
509R26.3Very low29.1Very low236 Ų236147.7 Ų147.789%0.89175%0.745SS**  -160.3152.156.2-150-173.3171.1136.1-5.3114.2
510E25.1Very low28.4Very low177 Ų177150.8 Ų150.883%0.82775%0.749SS**  trans-73.2178.7156.1-61.8159.4111.700109.4
511S28.5Very low28.2Very low94 Ų94145.8 Ų145.866%0.65774%0.741SS**  cis-148.9-171.817.960.20000108.4
512E28.4Very low27.9Very low162 Ų162148.5 Ų148.576%0.75774%0.742SS**  cis-150.7-140.212.4-151.1148.911800112.8
513I29Very low27Very low135 Ų135148.3 Ų148.369%0.69274%0.743SS**  trans-150.3142.1-157.2-66.3155.8000107.3
514H28.3Very low28Very low138 Ų138147.3 Ų147.364%0.63974%0.739SS**  -169.9128.2124.9-100.261.8000109.1
515R27.2Very low28Very low188 Ų188145 Ų14571%0.70974%0.741SS**  73.8144.675.6-124.7175.5167.4-173.7-7.3110.6
516Q25.2Very low28.1Very low114 Ų114145.8 Ų145.853%0.53375%0.745SS.*  cis-170.7140.527.4-171.7158.8-43.900113.6
517Q26.3Very low29.4Very low163 Ų163146.1 Ų146.176%0.76275%0.745SS**  trans60.5167.4152.9-72.6174.9-41.500119
518V25.8Very low30.2Very low134 Ų134144.8 Ų144.881%0.81275%0.751SS**  cis-145.2168.4-11.8108.70000111.3
519A25.5Very low30.3Very low86 Ų86149.4 Ų149.471%0.71176%0.759SS**  trans-93.3-167-172.900000116.2
520Q26.3Very low30.5Very low180 Ų180141.9 Ų141.984%0.84175%0.754SS**  trans94.3146.5175.8-66.2-143.773.900116.6
521T25.1Very low30.8Very low106 Ų106141.7 Ų141.765%0.6576%0.758SS**  cis-157.8173.2-8.7-118.70000114.8
522Y26.1Very low30.8Very low213 Ų213141.1 Ų141.184%0.83577%0.767SS**  trans-47.1171.3165-68.7-101.3000115.9
523S25.2Very low30.9Very low100 Ų100144.8 Ų144.870%0.69977%0.774SS**  cis-167.9-131.7-22.2-176.40000109.8
524P50.9Low30.9Very low112 Ų112147.4 Ų147.473%0.72778%0.783SS**  -118.4-177.6-127.442.3-26.4000116.4
525V26.8Very low31Very low145 Ų145146.3 Ų146.388%0.87979%0.791SS**  trans-175.6167.8141.4139.10000112.1
526M30.1Very low31.4Very low176 Ų176143.2 Ų143.287%0.86780%0.795SS**  trans-122.8176-167.9-94.1-80.9-178.800113.2
527P55.2Low31.6Very low105 Ų105146.3 Ų146.368%0.68281%0.809SS**  trans-105.2-168.3-156.643.2-41.4000115.3
528P45Very low31.8Very low131 Ų131146.5 Ų146.585%0.85182%0.815SS**  trans-132.6180136.138.3-27.1000116.2
529R30.1Very low32Very low243 Ų243151.7 Ų151.792%0.91782%0.82SS**  trans-84.3164.1-160.4-61166166.5165.3-6.9116.7
530G29.7Very low32.2Very low77 Ų77155.3 Ų155.379%0.79483%0.827SS**  trans-145.9153.3150.500000110.9
531L31.8Very low32.3Very low174 Ų174158 Ų15891%0.91183%0.83SS**  trans-111.4147.2-176.4-94.674.7000113.1
532G28.2Very low32.7Very low81 Ų81161.3 Ų161.384%0.83584%0.838SS**  trans-164.3148.2169.100000110.7
533R30.6Very low33.2Very low239 Ų239156.5 Ų156.590%0.90283%0.832SS**  trans-150.1114.1-164.4-176.6-167.3-166.9-155.67.1113.5
534Q29.2Very low33.7Very low190 Ų190156.7 Ų156.789%0.88883%0.834SS**  trans-175.6135146.1-109162.990.900114.4
535S30.3Very low33.3Very low116 Ų116157 Ų15781%0.81184%0.836SS**  trans36.6158.7147.9-72.40000124.5
536P34.9Very low34Very low122 Ų122154.8 Ų154.879%0.79282%0.823SS**  trans-104.5131.5-152.637-30.6000115
537H30.4Very low34.4Very low180 Ų180156.1 Ų156.183%0.83382%0.818SS**PPolyproline II helixtrans-93.8156.6159.3-134.9-99.7000110.5R539H537-R539 PolarHBondContact O-N 2.83Å
538L30.9Very low34Very low167 Ų167157.7 Ų157.787%0.87481%0.811SS**PPolyproline II helixtrans-60129.8177.3-77.389000110.6
539R28.8Very low34Very low242 Ų242156.3 Ų156.391%0.91380%0.797SS**PPolyproline II helixtrans-84.7120.9173.5-98.7-172.7163.3-163-8.1111H537H537-R539 PolarHBondContact O-N 2.83Å
540D30.6Very low34.9Very low162 Ų162152.5 Ų152.587%0.86680%0.795SS**PPolyproline II helixtrans-54.1136.4151-96.1-51.4000109.9E542D540-E542 PolarHBondContact O-N 2.95Å
541R29.4Very low36.4Very low238 Ų238152 Ų15290%0.89877%0.773SS**  trans-90.780.5-175.2-170.4-179.7176.196.70.1110.3
542E32.5Very low38.3Very low175 Ų175146.9 Ų146.982%0.81875%0.752SS**PPolyproline II helixtrans-52.6132.6169.8-166.2176.4-158.400110.5D540D540-E542 PolarHBondContact O-N 2.95Å
543P37.3Very low39.9Very low111 Ų111151.4 Ų151.472%0.72175%0.751SS**PPolyproline II helixtrans-69.6137.518027.8-33.9000111
544S34.9Very low41.8Very low104 Ų104145.4 Ų145.473%0.72774%0.742SS**PPolyproline II helixtrans-51.2136.3178.7-176.30000111.7V546S544-V546 PolarHBondContact O-N 2.94Å
545P42.2Very low44Very low118 Ų118140.4 Ų140.477%0.76672%0.72SS**PPolyproline II helixtrans-59.8127.8177.224.5-33.7000110.5
546V42.3Very low45.9Very low100 Ų100138.8 Ų138.861%0.60670%0.7SS**PPolyproline II helixtrans-71.4131.1172177.40000108.1S544 Y548S544-V546 PolarHBondContact O-N 2.94Å; V546-Y548 HydrophobicContact CB-CE2 4.02Å; V546-Y548 HydrophobicContact CG1-CD1 4.48Å; V546-Y548 HydrophobicContact CG1-CE1 4.06Å; V546-Y548 HydrophobicContact CG1-CE2 4.29Å; V546-Y548 WeakPolarHBondContact O-CD2 3.37Å; V546-Y548 PolarHBondContact O-N 2.99Å
547R37.7Very low47.7Very low203 Ų203135.7 Ų135.777%0.76669%0.685SS**  trans-87.1102.2-171.8-175165.2177.4158.11.4110.7D549R547-D549 VanDerWaalsContact C-N 3.35Å; R547-D549 WeakPolarHBondContact CG-OD1 3.3Å; R547-D549 IonicContact CZ-OD2 3.28Å; R547-D549 VanDerWaalsContact CZ-OD2 3.28Å; R547-D549 IonicContact NE-OD1 2.94Å; R547-D549 PolarHBondContact NE-OD1 3.05Å; R547-D549 IonicContact NE-OD2 2.9Å; R547-D549 PolarHBondContact NE-OD2 2.85Å; R547-D549 IonicContact NH2-OD2 2.93Å; R547-D549 PolarHBondContact NH2-OD2 3.48Å; R547-D549 PolarHBondContact O-N 2.7Å
548Y47.3Very low50.1Low138 Ų138129.4 Ų129.454%0.54166%0.661SS.*  trans-91.243.5-170.9-70.3-69.5000114.3V546 N550 L551V546-Y548 HydrophobicContact CB-CE2 4.02Å; V546-Y548 HydrophobicContact CG1-CD1 4.48Å; V546-Y548 HydrophobicContact CG1-CE1 4.06Å; V546-Y548 HydrophobicContact CG1-CE2 4.29Å; V546-Y548 WeakPolarHBondContact O-CD2 3.37Å; V546-Y548 PolarHBondContact O-N 2.99Å; Y548-N550 PolarHBondContact O-N 2.93Å; Y548-L551 HydrophobicContact CD1-CD1 3.56Å; Y548-L551 HydrophobicContact CE1-CD1 4.49Å; Y548-L551 HydrophobicContact CG-CD1 4.12Å; Y548-L551 PolarHBondContact O-N 3.37Å
549D45.6Very low52.5Low103 Ų103125.6 Ų125.655%0.55164%0.641SS**THydrogen-bonded Turntrans-67.15.7-170-69.517.2000115.4R547R547-D549 VanDerWaalsContact C-N 3.35Å; R547-D549 WeakPolarHBondContact CG-OD1 3.3Å; R547-D549 IonicContact CZ-OD2 3.28Å; R547-D549 VanDerWaalsContact CZ-OD2 3.28Å; R547-D549 IonicContact NE-OD1 2.94Å; R547-D549 PolarHBondContact NE-OD1 3.05Å; R547-D549 IonicContact NE-OD2 2.9Å; R547-D549 PolarHBondContact NE-OD2 2.85Å; R547-D549 IonicContact NH2-OD2 2.93Å; R547-D549 PolarHBondContact NH2-OD2 3.48Å; R547-D549 PolarHBondContact O-N 2.7Å
550N49.3Very low54.8Low163 Ų163119.1 Ų119.187%0.87262%0.621SS**THydrogen-bonded Turntrans-136.219.5-175-78.2-75.6000115.1Y548Y548-N550 PolarHBondContact O-N 2.93Å
551L59.4Low57.3Low67 Ų67117.4 Ų117.435%0.35161%0.608SS.*SBendtrans-94.8141.9168.7-78.599.3000111.7Y548 I555 M556 I559Y548-L551 HydrophobicContact CD1-CD1 3.56Å; Y548-L551 HydrophobicContact CE1-CD1 4.49Å; Y548-L551 HydrophobicContact CG-CD1 4.12Å; Y548-L551 PolarHBondContact O-N 3.37Å; L551-I555 HydrophobicContact CD2-CB 4.05Å; L551-I555 HydrophobicContact CD2-CG2 3.58Å; L551-M556 HydrophobicContact CB-CG 3.92Å; L551-M556 HydrophobicContact CB-SD 3.96Å; L551-I559 HydrophobicContact CD2-CD1 4.29Å
552S73.3Confident59.5Low66 Ų66114.8 Ų114.846%0.46260%0.598SS.*  trans-65.4147.7173.8600000111.2T554 I555 M556S552-T554 PolarHBondContact O-N 3.46Å; S552-T554 VanDerWaalsContact O-N 3.09Å; S552-I555 PolarHBondContact O-N 2.97Å; S552-M556 PolarHBondContact O-N 2.94Å; S552-M556 VanDerWaalsContact O-N 3.14Å
553Q61.3Low62Low175 Ų175112.7 Ų112.782%0.81859%0.586SS**Hα-helixtrans-52.8-36-176.6-70.7176.3-19.700112.7I555 M556 A557Q553-I555 PolarHBondContact O-N 2.88Å; Q553-M556 PolarHBondContact O-N 3.03Å; Q553-A557 VanDerWaalsContact O-CB 3.29Å; Q553-A557 WeakPolarHBondContact O-CB 3.26Å; Q553-A557 PolarHBondContact O-N 3.03Å
554T71Confident64.1Low114 Ų114111.6 Ų111.670%0.69957%0.572SS**Hα-helixtrans-60.8-39176.3-390000113.3S552 S558S552-T554 PolarHBondContact O-N 3.46Å; S552-T554 VanDerWaalsContact O-N 3.09Å; T554-S558 PolarHBondContact O-N 2.84Å; T554-S558 VanDerWaalsContact O-N 3.08Å
555I74.1Confident66.1Low85 Ų85112.8 Ų112.844%0.43656%0.564SS.*Hα-helixtrans-78-39.2179.8-53.5171000109.8L551 S552 Q553 A557 S558 I559L551-I555 HydrophobicContact CD2-CB 4.05Å; L551-I555 HydrophobicContact CD2-CG2 3.58Å; S552-I555 PolarHBondContact O-N 2.97Å; Q553-I555 PolarHBondContact O-N 2.88Å; I555-A557 VanDerWaalsContact C-N 3.31Å; I555-A557 PolarHBondContact O-N 3.32Å; I555-S558 PolarHBondContact O-N 2.92Å; I555-I559 HydrophobicContact CG2-CD1 3.95Å; I555-I559 HydrophobicContact CG2-CG1 4.42Å; I555-I559 WeakPolarHBondContact O-CB 3.34Å; I555-I559 VanDerWaalsContact O-CG1 3.29Å; I555-I559 WeakPolarHBondContact O-CG1 3.3Å; I555-I559 PolarHBondContact O-N 3.25Å
556M71.4Confident68.1Low81 Ų81113.2 Ų113.240%0.39956%0.556SS.*Hα-helixtrans-60.1-41.7172.7-67.9-64.6-7500111.5L551 S552 Q553 I559 Q560L551-M556 HydrophobicContact CB-CG 3.92Å; L551-M556 HydrophobicContact CB-SD 3.96Å; S552-M556 PolarHBondContact O-N 2.94Å; S552-M556 VanDerWaalsContact O-N 3.14Å; Q553-M556 PolarHBondContact O-N 3.03Å; M556-I559 PolarHBondContact O-N 2.88Å; M556-Q560 WeakPolarHBondContact O-CB 3.39Å; M556-Q560 PolarHBondContact O-N 3.42Å
557A72Confident69.7Low57 Ų57112.7 Ų112.747%0.47155%0.547SS..Hα-helixtrans-61.8-47174.100000112Q553 I555 I559 Q560 E561Q553-A557 VanDerWaalsContact O-CB 3.29Å; Q553-A557 WeakPolarHBondContact O-CB 3.26Å; Q553-A557 PolarHBondContact O-N 3.03Å; I555-A557 VanDerWaalsContact C-N 3.31Å; I555-A557 PolarHBondContact O-N 3.32Å; A557-I559 VanDerWaalsContact C-N 3.34Å; A557-I559 PolarHBondContact O-N 3.41Å; A557-Q560 PolarHBondContact O-N 2.85Å; A557-E561 VanDerWaalsContact O-CB 3.31Å; A557-E561 WeakPolarHBondContact O-CB 3.37Å; A557-E561 PolarHBondContact O-N 2.94Å
558S80.7Confident71.4Confident48 Ų48110.4 Ų110.434%0.33654%0.538SS..Hα-helixtrans-67.9-30.4178.6-1680000113.4T554 I555 R562T554-S558 PolarHBondContact O-N 2.84Å; T554-S558 VanDerWaalsContact O-N 3.08Å; I555-S558 PolarHBondContact O-N 2.92Å; S558-R562 WeakPolarHBondContact O-CB 3.31Å; S558-R562 VanDerWaalsContact O-CG 3.29Å; S558-R562 WeakPolarHBondContact O-CG 3.49Å; S558-R562 PolarHBondContact O-N 3Å; S558-R562 VanDerWaalsContact O-N 3.15Å
559I80.6Confident72.7Confident87 Ų87107.9 Ų107.945%0.44653%0.531SS..Hα-helixtrans-68-44.7170.8-70.2167.1000110.3L551 I555 M556 A557 R562 K563L551-I559 HydrophobicContact CD2-CD1 4.29Å; I555-I559 HydrophobicContact CG2-CD1 3.95Å; I555-I559 HydrophobicContact CG2-CG1 4.42Å; I555-I559 WeakPolarHBondContact O-CB 3.34Å; I555-I559 VanDerWaalsContact O-CG1 3.29Å; I555-I559 WeakPolarHBondContact O-CG1 3.3Å; I555-I559 PolarHBondContact O-N 3.25Å; M556-I559 PolarHBondContact O-N 2.88Å; A557-I559 VanDerWaalsContact C-N 3.34Å; A557-I559 PolarHBondContact O-N 3.41Å; I559-R562 PolarHBondContact O-N 2.84Å; I559-K563 WeakPolarHBondContact O-CB 3.23Å; I559-K563 PolarHBondContact O-N 3.41Å
560Q77.1Confident74.1Confident107 Ų107109 Ų10950%0.553%0.531SS..Hα-helixtrans-66.1-42.9179.2-174.463.615.700111.9M556 A557 K563 E564M556-Q560 WeakPolarHBondContact O-CB 3.39Å; M556-Q560 PolarHBondContact O-N 3.42Å; A557-Q560 PolarHBondContact O-N 2.85Å; Q560-K563 PolarHBondContact O-N 2.87Å; Q560-K563 VanDerWaalsContact O-N 3.16Å; Q560-E564 PolarHBondContact O-N 3.45Å
561E83.2Confident74.9Confident126 Ų126108.8 Ų108.859%0.58952%0.518SS*.Hα-helixtrans-59-46.6175179.9-170.4-157.600111.6A557 K563 E564 K565A557-E561 VanDerWaalsContact O-CB 3.31Å; A557-E561 WeakPolarHBondContact O-CB 3.37Å; A557-E561 PolarHBondContact O-N 2.94Å; E561-K563 VanDerWaalsContact C-N 3.31Å; E561-K563 PolarHBondContact O-N 3.26Å; E561-E564 PolarHBondContact O-N 2.87Å; E561-K565 WeakPolarHBondContact O-CB 3.37Å; E561-K565 PolarHBondContact O-N 3.21Å
562R76.9Confident74.9Confident183 Ų183112.2 Ų112.269%0.69153%0.532SS*.Hα-helixtrans-61-40.8174.2-76.5176.5-178.6-125.8-1.1111.9S558 I559 K565 E566S558-R562 WeakPolarHBondContact O-CB 3.31Å; S558-R562 VanDerWaalsContact O-CG 3.29Å; S558-R562 WeakPolarHBondContact O-CG 3.49Å; S558-R562 PolarHBondContact O-N 3Å; S558-R562 VanDerWaalsContact O-N 3.15Å; I559-R562 PolarHBondContact O-N 2.84Å; R562-K565 PolarHBondContact O-N 3.24Å; R562-E566 WeakPolarHBondContact O-CB 3.29Å; R562-E566 PolarHBondContact O-N 3.43Å
563K84.1Confident74Confident130 Ų130115.5 Ų115.557%0.56554%0.542SS*.Hα-helixtrans-69.7-40.7179.9-164.8-179.7-179.3-171.40112.1I559 Q560 E561 K565 E566 E567I559-K563 WeakPolarHBondContact O-CB 3.23Å; I559-K563 PolarHBondContact O-N 3.41Å; Q560-K563 PolarHBondContact O-N 2.87Å; Q560-K563 VanDerWaalsContact O-N 3.16Å; E561-K563 VanDerWaalsContact C-N 3.31Å; E561-K563 PolarHBondContact O-N 3.26Å; K563-K565 VanDerWaalsContact C-N 3.35Å; K563-E566 PolarHBondContact O-N 3.33Å; K563-E567 WeakPolarHBondContact O-CB 3.47Å; K563-E567 PolarHBondContact O-N 3.4Å
564E81.3Confident73.9Confident89 Ų89112.8 Ų112.842%0.41653%0.532SS..Hα-helixtrans-61.9-41.7170.6-89.3-157.68500111.8Q560 E561 E567 R568Q560-E564 PolarHBondContact O-N 3.45Å; E561-E564 PolarHBondContact O-N 2.87Å; E564-E567 PolarHBondContact O-N 3.14Å; E564-R568 WeakPolarHBondContact O-CB 3.42Å; E564-R568 VanDerWaalsContact O-CG 3.28Å; E564-R568 WeakPolarHBondContact O-CG 3.45Å; E564-R568 PolarHBondContact O-N 3.46Å; E564-R568 IonicContact OE1-CZ 2.75Å; E564-R568 IonicContact OE1-NE 3.42Å; E564-R568 IonicContact OE1-NH2 3.95Å; E564-R568 PolarHBondContact OE1-NH2 3.38Å
565K77.9Confident72.9Confident129 Ų129114.8 Ų114.856%0.56153%0.533SS*.Hα-helixtrans-63.7-47.5177.3-177.9169.8174.4172.80111.4E561 R562 K563 E567 R568 E569E561-K565 WeakPolarHBondContact O-CB 3.37Å; E561-K565 PolarHBondContact O-N 3.21Å; R562-K565 PolarHBondContact O-N 3.24Å; K563-K565 VanDerWaalsContact C-N 3.35Å; K565-E567 VanDerWaalsContact C-N 3.31Å; K565-E567 PolarHBondContact O-N 3.27Å; K565-R568 PolarHBondContact O-N 3.02Å; K565-E569 WeakPolarHBondContact CE-OE1 3.48Å; K565-E569 IonicContact NZ-OE1 3.09Å; K565-E569 WeakPolarHBondContact O-CG 3.3Å; K565-E569 PolarHBondContact O-N 3.43Å
566E82.8Confident71.7Confident127 Ų127113.8 Ų113.859%0.59354%0.544SS*.Hα-helixtrans-59.7-40.5174.6-170-176.316000111.4R562 K563 K570R562-E566 WeakPolarHBondContact O-CB 3.29Å; R562-E566 PolarHBondContact O-N 3.43Å; K563-E566 PolarHBondContact O-N 3.33Å; E566-K570 WeakPolarHBondContact O-CB 3.5Å; E566-K570 PolarHBondContact O-N 2.79Å
567E77.8Confident70.4Confident89 Ų89119.8 Ų119.842%0.41656%0.562SS.*Hα-helixtrans-69.9-35.6176.9-155.7-169.9129.400112.8K563 E564 K565 K570 R571K563-E567 WeakPolarHBondContact O-CB 3.47Å; K563-E567 PolarHBondContact O-N 3.4Å; E564-E567 PolarHBondContact O-N 3.14Å; K565-E567 VanDerWaalsContact C-N 3.31Å; K565-E567 PolarHBondContact O-N 3.27Å; E567-K570 PolarHBondContact O-N 3.28Å; E567-R571 WeakPolarHBondContact O-CB 3.23Å; E567-R571 VanDerWaalsContact O-CG 3.31Å; E567-R571 WeakPolarHBondContact O-CG 3.33Å; E567-R571 PolarHBondContact O-N 3.41Å; E567-R571 IonicContact OE1-CZ 3.9Å; E567-R571 VanDerWaalsContact OE1-CZ 3.23Å; E567-R571 IonicContact OE1-NE 2.8Å; E567-R571 PolarHBondContact OE1-NE 2.82Å; E567-R571 IonicContact OE1-NH2 3.22Å; E567-R571 PolarHBondContact OE1-NH2 3.21Å
568R72.9Confident68.8Low154 Ų154121.8 Ų121.858%0.58157%0.573SS**Hα-helixtrans-65.3-46.6173.2-73.5176.1-163.8-167.18.3111.5E564 K565 K570 R571 Q572E564-R568 WeakPolarHBondContact O-CB 3.42Å; E564-R568 VanDerWaalsContact O-CG 3.28Å; E564-R568 WeakPolarHBondContact O-CG 3.45Å; E564-R568 PolarHBondContact O-N 3.46Å; E564-R568 IonicContact OE1-CZ 2.75Å; E564-R568 IonicContact OE1-NE 3.42Å; E564-R568 IonicContact OE1-NH2 3.95Å; E564-R568 PolarHBondContact OE1-NH2 3.38Å; K565-R568 PolarHBondContact O-N 3.02Å; R568-K570 VanDerWaalsContact C-N 3.29Å; R568-K570 PolarHBondContact O-N 2.8Å; R568-R571 PolarHBondContact O-N 3.16Å; R568-Q572 WeakPolarHBondContact O-CG 3.34Å; R568-Q572 PolarHBondContact O-N 3.5Å
569E74.1Confident66.9Low85 Ų85128.4 Ų128.440%0.39760%0.599SS.*Hα-helixtrans-60.4-39.5174.8-72.1171.7-174.700111K565 Q572 M573K565-E569 WeakPolarHBondContact CE-OE1 3.48Å; K565-E569 IonicContact NZ-OE1 3.09Å; K565-E569 WeakPolarHBondContact O-CG 3.3Å; K565-E569 PolarHBondContact O-N 3.43Å; E569-Q572 PolarHBondContact O-N 2.82Å; E569-M573 HydrophobicContact CB-CE 4.45Å; E569-M573 PolarHBondContact O-N 3.21Å
570K75Confident64.9Low127 Ų127129.7 Ų129.755%0.55261%0.61SS**Hα-helixtrans-68.2-40175.6-164.3170.4-172.5173.40113E566 E567 R568 M573 L574E566-K570 WeakPolarHBondContact O-CB 3.5Å; E566-K570 PolarHBondContact O-N 2.79Å; E567-K570 PolarHBondContact O-N 3.28Å; R568-K570 VanDerWaalsContact C-N 3.29Å; R568-K570 PolarHBondContact O-N 2.8Å; K570-M573 PolarHBondContact O-N 2.86Å; K570-L574 HydrophobicContact CG-CD1 4.44Å; K570-L574 PolarHBondContact O-N 2.91Å
571R67.1Low62.8Low159 Ų159132.2 Ų132.260%0.662%0.622SS**Hα-helixtrans-65.2-38.7173.3-75.8177.4-173.8-130.96.7111.8E567 R568 L574 H575E567-R571 WeakPolarHBondContact O-CB 3.23Å; E567-R571 VanDerWaalsContact O-CG 3.31Å; E567-R571 WeakPolarHBondContact O-CG 3.33Å; E567-R571 PolarHBondContact O-N 3.41Å; E567-R571 IonicContact OE1-CZ 3.9Å; E567-R571 VanDerWaalsContact OE1-CZ 3.23Å; E567-R571 IonicContact OE1-NE 2.8Å; E567-R571 PolarHBondContact OE1-NE 2.82Å; E567-R571 IonicContact OE1-NH2 3.22Å; E567-R571 PolarHBondContact OE1-NH2 3.21Å; R568-R571 PolarHBondContact O-N 3.16Å; R571-L574 PolarHBondContact O-N 3.48Å; R571-H575 PolarHBondContact O-N 3.44Å
572Q59Low60.6Low138 Ų138133.8 Ų133.865%0.64563%0.633SS**Hα-helixtrans-63.6-45.4173.8-74.5173-19.900111.7R568 E569 L574 H575 G576R568-Q572 WeakPolarHBondContact O-CG 3.34Å; R568-Q572 PolarHBondContact O-N 3.5Å; E569-Q572 PolarHBondContact O-N 2.82Å; Q572-L574 VanDerWaalsContact C-N 3.29Å; Q572-L574 PolarHBondContact O-N 3.3Å; Q572-H575 PolarHBondContact O-N 3.45Å; Q572-G576 PolarHBondContact O-N 3.25Å
573M54.7Low58.4Low136 Ų136135 Ų13567%0.6764%0.639SS**Hα-helixtrans-63.3-30.7173.8-78-174.2-9000113.8E569 K570E569-M573 HydrophobicContact CB-CE 4.45Å; E569-M573 PolarHBondContact O-N 3.21Å; K570-M573 PolarHBondContact O-N 2.86Å
574L57.6Low55.8Low117 Ų117134.8 Ų134.861%0.61365%0.648SS**Hα-helixtrans-73.3-43.3174.2-95.3144.2000112.6K570 R571 Q572 R577K570-L574 HydrophobicContact CG-CD1 4.44Å; K570-L574 PolarHBondContact O-N 2.91Å; R571-L574 PolarHBondContact O-N 3.48Å; Q572-L574 VanDerWaalsContact C-N 3.29Å; Q572-L574 PolarHBondContact O-N 3.3Å; L574-R577 PolarHBondContact O-N 3.29Å
575H51.6Low53.4Low157 Ų157139.5 Ų139.573%0.72767%0.67SS**Hα-helixtrans-64.3-42.8174.5-89.549.6000112R571 Q572 R577 S578R571-H575 PolarHBondContact O-N 3.44Å; Q572-H575 PolarHBondContact O-N 3.45Å; H575-R577 PolarHBondContact O-N 3.1Å; H575-S578 PolarHBondContact O-N 3.47Å; H575-S578 VanDerWaalsContact O-N 3.14Å
576G48.8Very low51.1Low64 Ų64140.5 Ų140.566%0.6668%0.681SS**THydrogen-bonded Turntrans-63.5-8.9176.500000115.3Q572Q572-G576 PolarHBondContact O-N 3.25Å
577R43.8Very low48.6Very low206 Ų206140 Ų14078%0.77769%0.692SS**THydrogen-bonded Turntrans-108.5-2178.2-159.3169.9-177.9174.81113.8L574 H575L574-R577 PolarHBondContact O-N 3.29Å; H575-R577 PolarHBondContact O-N 3.1Å
578S38.8Very low46.2Very low100 Ų100139 Ų13970%0.69971%0.705SS**SBendtrans-94.93.2-174.7-1630000114.9H575H575-S578 PolarHBondContact O-N 3.47Å; H575-S578 VanDerWaalsContact O-N 3.14Å
579Q39.8Very low44.2Very low187 Ų187138 Ų13887%0.87472%0.717SS**SBendtrans-113.4-1.3-177.9-108.3-179.5-6.200114.8
580T38.9Very low42.1Very low113 Ų113143.3 Ų143.369%0.69374%0.739SS**SBendtrans-122.629.2-172.245.90000113.7
581H32.5Very low40Very low160 Ų160144.5 Ų144.574%0.74175%0.751SS**  trans-14645.4174.9-127-73.1000114.7
582I38.1Very low38.1Very low159 Ų159141.5 Ų141.582%0.81576%0.76SS**SBendtrans-118.870.9160.2-51.4-179.7000108.7
583Y29.7Very low36.6Very low209 Ų209138.7 Ų138.782%0.8277%0.768SS**SBendtrans-177163.7135.6-119.1-91.8000110
584V30.6Very low35.5Very low125 Ų125144 Ų14476%0.75878%0.782SS**  trans58.581.6174.7-164.20000115.6
585Q29.5Very low34.1Very low189 Ų189142 Ų14288%0.88379%0.789SS**  trans-119.9108.8140.7173.3-173.3-9.300106.9
586D29.2Very low33.7Very low149 Ų149140.4 Ų140.480%0.79779%0.793SS**  trans-165.9174.7145.8-141.6-18.4000112.9
587S31.1Very low33.9Very low117 Ų117143.1 Ų143.182%0.81880%0.799SS**  trans80.8116.7168.673.30000117.9
588G27.9Very low33.3Very low67 Ų67137.8 Ų137.869%0.69180%0.8SS**  trans-165.9164.8159.900000108.9
589V31.1Very low32.9Very low135 Ų135141 Ų14182%0.81881%0.809SS**  trans81.297.1171.2-170.60000117.4
590F29.1Very low32.5Very low196 Ų196137 Ų13786%0.8681%0.808SS**  trans58.2162.1150.3-68.4-104.6000118.1
591D30.2Very low32.1Very low151 Ų151136.1 Ų136.181%0.80781%0.806SS**  cis-143.6-166.215.4-157.6-3.9000112.5
592A28.1Very low32Very low97 Ų97137 Ų13780%0.80281%0.808SS**  trans-72.1157.4-17200000117.2
593G28.3Very low31.7Very low78 Ų78136.2 Ų136.280%0.80481%0.805SS**  trans-175145.1171.800000115.3
594Y30.8Very low31.9Very low248 Ų248133.5 Ų133.597%0.97381%0.805SS**  trans-82.8155.9-179.3-75.4-113.5000113.5
595G27.3Very low32Very low74 Ų74130.2 Ų130.276%0.76380%0.796SS**  trans115.3129.4143.300000118.9
596P43.4Very low33.1Very low124 Ų124126.6 Ų126.681%0.80579%0.789SS**  trans-104.6-165.6164.244.1-35.8000110.3
597P54Low33.3Very low121 Ų121131.3 Ų131.379%0.78680%0.796SS**  cis-129.3-168.4-11.142.9-27.2000113
598A31.5Very low33.2Very low95 Ų95129.4 Ų129.479%0.78579%0.794SS**  170.3155.2125.300000114
599N30.4Very low33.5Very low166 Ų166135.7 Ų135.789%0.88881%0.805SS**  trans-95.1149.3-179.4-54.9-41.5000112.8
600A30.4Very low33.4Very low104 Ų104132.9 Ų132.986%0.8680%0.803SS**  trans-137.7161.2156.400000108.8
601S31.6Very low33.7Very low95 Ų95129.1 Ų129.166%0.66480%0.801SS**  trans-161.2173.8-160.345.40000114.7
602F29.6Very low33.8Very low177 Ų177133.9 Ų133.978%0.77681%0.808SS**  trans77.7141.8174.7-63.9-93.4000116.9
603L32.1Very low33.9Very low144 Ų144132.6 Ų132.675%0.75481%0.805SS**  cis81.2142.337.6-95.979000114.2
604D34.8Very low34.9Very low151 Ų151134.6 Ų134.681%0.80780%0.803SS**  cis-161.6165.2-2.3-161.58.1000113.3
605G32.5Very low35.1Very low56 Ų56129.3 Ų129.358%0.57780%0.797SS**  trans92.2177.6144.500000120.9
606P51.1Low36.3Very low114 Ų114131.4 Ų131.474%0.7480%0.797SS**  cis-146.4153-41.536.7-19000117.7
607R34.2Very low36.7Very low248 Ų248130.9 Ų130.994%0.93679%0.794SS**  trans72.8139.1148.1-68.9168-174.6179.42.4122.7
608G28.9Very low35.6Very low76 Ų76129.3 Ų129.378%0.78479%0.791SS**  trans-170.1133.716000000111.9
609H33.3Very low35.6Very low200 Ų200136.6 Ų136.693%0.92680%0.8SS**  trans-85.1165.7-178.4-76.8-104.9000112.5
610G30.1Very low35.6Very low75 Ų75132 Ų13277%0.77379%0.792SS**  cis-179.8-170.93.800000113.6
611S35.8Very low35.5Very low117 Ų117130.8 Ų130.882%0.81879%0.79SS**  trans-110.8164.8-163.456.40000115.9
612R32.6Very low35.4Very low251 Ų251131.9 Ų131.995%0.94780%0.797SS**  trans-157.6143.6148.7-108.4166.9-169.7-164.60.9112.1
613G29.2Very low35.6Very low71 Ų71133.4 Ų133.473%0.73280%0.797SS**  trans-91.4-149.4173.700000112.4
614P49Very low35.7Very low120 Ų120131.1 Ų131.178%0.77979%0.786SS**  cis-112.4154.214.621.8-0.3000114
615T36.3Very low35.6Very low137 Ų137130.8 Ų130.884%0.8478%0.784SS**  80.6146.957.941.60000117.8
616P52.8Low35.8Very low118 Ų118135.5 Ų135.577%0.76680%0.796SS**  trans-118.4-139.5-16436.3-11.7000110
617P50.8Low34.9Very low113 Ų113138.7 Ų138.773%0.73480%0.803SS**  cis-146.4176.85.246.8-26.5000120.4
618A31.2Very low34.6Very low88 Ų88130.3 Ų130.373%0.72779%0.793SS**  trans70.6143.9139.600000124.4
619Y31Very low34.6Very low248 Ų248133 Ų13397%0.97380%0.795SS**  trans-170.5138.4142.1-108.6-79.1000107.9
620G29.6Very low34.3Very low69 Ų69126.7 Ų126.771%0.71178%0.783SS**  cis175.1151.2-11.800000111.6
621G28.8Very low34.2Very low79 Ų79131.1 Ų131.181%0.81479%0.788SS**  trans83.7121.8177.100000114.5
622S29.5Very low33.9Very low117 Ų117130 Ų13082%0.81879%0.786SS**  cis90.798.934.1-167.30000114.6
623R33.3Very low33.9Very low209 Ų209125.6 Ų125.679%0.78978%0.781SS**  -174.9144.2108.1-91-17076.5134.110112.3
624D34.4Very low33.9Very low97 Ų97133.7 Ų133.752%0.51979%0.791SS.*  trans44.799.9153-52.8-39000120
625N33.6Very low32.9Very low144 Ų144131.2 Ų131.277%0.7779%0.788SS**  76122.888.2-72-48.9000113.3
626L35.6Very low32.6Very low155 Ų155131.9 Ų131.981%0.81278%0.781SS**  -156.9162.755.7-161.667.2000114
627M33.9Very low31.5Very low181 Ų181136.5 Ų136.589%0.89278%0.783SS**  trans-19.3153.5169.3-54.1-63.1-174.800119.6
628G27.5Very low30.7Very low71 Ų71137.1 Ų137.173%0.73279%0.785SS**  cis160.8162.3-100000115.1
629V28.3Very low31.9Very low134 Ų134138.3 Ų138.381%0.81279%0.786SS**  trans-49.6152.7167.4178.80000112.1L631V629-L631 HydrophobicContact CG1-CD1 3.83Å
630G26.8Very low31.9Very low66 Ų66132 Ų13268%0.6877%0.772SS**  cis146.2-161.82.600000111.5
631L29Very low32Very low169 Ų169135.4 Ų135.489%0.88577%0.774SS**  trans71.5163.2166.2-77.8126.1000121.4V629V629-L631 HydrophobicContact CG1-CD1 3.83Å
632A29.4Very low32.3Very low94 Ų94140.5 Ų140.578%0.77777%0.768SS**  trans80.8106.7157.800000121.1
633N32.5Very low32.5Very low158 Ų158142.6 Ų142.685%0.84577%0.765SS**  trans-64.2137.2147.4-90.9-22.1000110.2
634Y28.8Very low32.6Very low240 Ų240137.4 Ų137.494%0.94177%0.767SS**  trans-170.1156.8144-115.3-73.1000112.7
635G27.3Very low32.4Very low68 Ų68135.6 Ų135.670%0.70177%0.771SS**  trans91.887.613400000119.9
636Q29.7Very low32.7Very low152 Ų152135.3 Ų135.371%0.7178%0.775SS**  trans-14.2144.5151.6-67.8-174.28.700121.7
637R30.3Very low32.8Very low214 Ų214134.1 Ų134.181%0.80877%0.774SS**  trans78140.9132.8-73.2170175.4160.7-12.6122.1
638T34.2Very low32.7Very low126 Ų126133.6 Ų133.677%0.77377%0.774SS**  trans-69.1-179.6167.253.60000112.4
639P57.2Low33Very low114 Ų114133.2 Ų133.274%0.7477%0.77SS**  cis-144.5-154.316.827.12.5000116
640V30.2Very low33.2Very low114 Ų114139.3 Ų139.369%0.69178%0.778SS**  trans103.6110.9148172.80000121.2
641L32.8Very low33.4Very low142 Ų142140.2 Ų140.274%0.74378%0.78SS**  trans59.8163.1142.8-90.958.3000121.3
642R33.8Very low34.6Very low185 Ų185137.5 Ų137.570%0.69877%0.772SS**  cis-170.8145.5-22.9-137.9-176.1174.7157.5-0.3111.1
643H34.7Very low35Very low162 Ų162143.9 Ų143.975%0.7578%0.776SS**  trans50173.1152.1-62.1-30.7000120.8
644A34.7Very low35Very low99 Ų99142.5 Ų142.582%0.81877%0.773SS**  cis-174.8165.9-41.300000108
645G30.8Very low35.4Very low60 Ų60136.4 Ų136.462%0.61977%0.766SS**  cis152.7158.9-8.400000113.9
646T39.2Very low35.8Very low137 Ų137137.6 Ų137.684%0.8476%0.763SS**  trans84.1178161.577.40000121.8
647T37.6Very low36.2Very low130 Ų130136.3 Ų136.380%0.79877%0.766SS**  trans81.2147.3-166.569.40000114.3
648L32.9Very low36.6Very low170 Ų170131 Ų13189%0.8976%0.762SS**  cis-155.7169.4-8.1-103.9154.2000107.2
649G32.5Very low36.8Very low63 Ų63132.2 Ų132.265%0.64976%0.763SS**  cis161121.9-11.900000116.3
650R32.2Very low35.7Very low262 Ų262134.9 Ų134.999%0.98977%0.765SS**  trans79.5165157-119.2174.9-169.2132.62.1121.5
651A32.2Very low36.1Very low86 Ų86133.9 Ų133.971%0.71176%0.76SS**  trans-141.4-165.1-17800000108.5
652P54.6Low36.2Very low111 Ų111133.3 Ų133.372%0.72176%0.757SS**  cis-148-179.21.845.3-25.3000119.3
653R36.7Very low36.6Very low228 Ų228132.5 Ų132.586%0.8676%0.761SS**  trans69.7143.4145.5-85-179171.3174.6-2.7125.1
654T33.2Very low36.5Very low129 Ų129129.4 Ų129.479%0.79176%0.758SS**  trans106.4141.4149.668.30000122.8
655S37.3Very low36.6Very low112 Ų112129.9 Ų129.978%0.78376%0.755SS**  trans70161.2157-620000122
656S36.3Very low36.7Very low93 Ų93132.4 Ų132.465%0.6576%0.763SS**  cis-173.3162-34.962.40000113.4
657T37.5Very low36.4Very low126 Ų126133.4 Ų133.477%0.77376%0.764SS**  trans60.3153.5151.743.20000121.5
658S38.5Very low36.1Very low103 Ų103131.7 Ų131.772%0.7276%0.757SS**  cis179-175.7-21.257.70000107.9
659L38.5Very low36.1Very low150 Ų150127.9 Ų127.979%0.78574%0.744SS**  cis-168.5144.6-4-140.5176000108.8
660H33.4Very low36.2Very low170 Ų170134.4 Ų134.479%0.78776%0.758SS**  trans-168.6128.1150.1-121.8-80.6000115.1
661T39.3Very low36.2Very low94 Ų94125.3 Ų125.358%0.57775%0.746SS**  trans23.7144.6145.8570000122.6
662D34.8Very low36.2Very low129 Ų129133 Ų13369%0.6976%0.756SS**  cis-161.8163.66.8-107.5-18.8000115.3
663H41.1Very low35.3Very low168 Ų168132.1 Ų132.178%0.77876%0.758SS**  trans12.9148.8152.8-70.6-73.7000123.1
664S33.8Very low36.3Very low97 Ų97126.7 Ų126.768%0.67875%0.752SS**  cis-172.4155.21.646.80000115.8
665S35.6Very low36.2Very low110 Ų110125.5 Ų125.577%0.76975%0.75SS**  trans79.3119.4143.3-64.20000125.1
666S32.8Very low36.1Very low113 Ų113127.6 Ų127.679%0.7975%0.747SS**  trans115.1113.8130.173.20000121.9
667N33.4Very low35.9Very low158 Ų158131.8 Ų131.885%0.84576%0.756SS**  trans26.6148.4132.9-69.44.3000122.9
668S32.2Very low35.6Very low94 Ų94129.5 Ų129.566%0.65776%0.757SS**  cis-171.3159.5-5.9480000114.3
669S33Very low35.4Very low89 Ų89129.8 Ų129.862%0.62276%0.759SS**  trans57.5121.1143.162.30000123.9
670Q35Very low35.1Very low201 Ų201132.4 Ų132.494%0.93976%0.76SS**  trans57.2155.9132.8-55.2178.612.400120.1
671G31.2Very low35Very low71 Ų71135.6 Ų135.673%0.73277%0.765SS**  cis168.8148.6-7.900000112.4
672R32.5Very low34.7Very low247 Ų247136.6 Ų136.693%0.93278%0.776SS**  trans32.5116.4164.6-72.6178.9169.2166.3-4.3121.6
673A35.3Very low35.4Very low92 Ų92135.6 Ų135.676%0.7678%0.777SS**  28.9158.7114.300000122.5
674P56.9Low35Very low114 Ų114133.4 Ų133.474%0.7478%0.775SS**  cis-144.9-177.5-21.840.1-20.4000117
675S32Very low35Very low105 Ų105137.1 Ų137.173%0.73478%0.782SS**  trans86156.6139.382.50000125.1
676H34.9Very low34.9Very low155 Ų155140.4 Ų140.472%0.71878%0.782SS**  trans88.3121.1160.6-90.3-100.5000124.8
677E32.8Very low35.7Very low181 Ų181141.4 Ų141.485%0.84679%0.786SS**  trans61.4154.1143.7-78.1172.811800125.4
678G30.1Very low35.6Very low78 Ų78145.6 Ų145.680%0.80479%0.79SS**  trans139.9141.6173.500000114.3
679S34.3Very low35.7Very low109 Ų109146.1 Ų146.176%0.76279%0.794SS**  trans-156.3164.1-177.8-168.20000115.3
680Y32.8Very low36.5Very low205 Ų205148.1 Ų148.180%0.80480%0.804SS**  trans97125.2162.3-72.4-72.9000123.6
681R30.6Very low36.3Very low237 Ų237142.5 Ų142.589%0.89479%0.792SS**  trans85.8152.4143.5-75-178.3179-161.3-0.2122.3
682S34.3Very low36.5Very low115 Ų115145.2 Ų145.280%0.80479%0.788SS**  trans-114.6-178.5-171.8-380000110.8
683P49Very low37.1Very low108 Ų108139.7 Ų139.770%0.70178%0.784SS**  -163.8-172.77943.1-20.2000119
684T32.3Very low37Very low122 Ų122145.7 Ų145.775%0.74879%0.787SS**  trans67.7153.3151.446.90000122
685H34Very low35.5Very low175 Ų175145.4 Ų145.481%0.8179%0.788SS**  cis-159.5-174.2-26.5-134.5-121000112.8
686K33.9Very low36Very low180 Ų180146.7 Ų146.778%0.78379%0.793SS**  trans-87.8163.5-165-62.8-179.2175.8175.40119.4
687P49.6Very low35.7Very low133 Ų133144.2 Ų144.286%0.86479%0.794SS**  trans-100.1-143.3139.2-18.936.6000117.7
688R31.8Very low35.8Very low247 Ų247146.7 Ų146.793%0.93280%0.797SS**  trans-140.3-169.9-163.4-152.8167.9177.3165.7-1.6114.8
689S34.4Very low35.8Very low105 Ų105147.5 Ų147.573%0.73479%0.79SS**  trans-127.3177.8-171.7-45.10000113.8
690P49.5Very low35.7Very low130 Ų130151.3 Ų151.384%0.84480%0.795SS**  -127.3-160.789.142.3-34.7000112.1
691A30.1Very low35.6Very low84 Ų84150.3 Ų150.369%0.69480%0.798SS**  cis-152.6-173.47.100000111.6
692M36.6Very low35.6Very low128 Ų128148.3 Ų148.363%0.63180%0.796SS**  trans-147.7160.4177.3-69.9-63.1-65.200111.7R694M692-R694 HydrophobicContact CE-CB 3.62Å; M692-R694 HydrophobicContact CE-CG 3.57Å
693P43.9Very low35.3Very low131 Ų131150.1 Ų150.185%0.85180%0.796SS**  -123.9-176.984.32.919.9000114.7
694R32.6Very low34.3Very low217 Ų217150 Ų15082%0.81980%0.797SS**  trans-144.4152.3-158.8-152.9180-146.8161.54.6113.7M692M692-R694 HydrophobicContact CE-CB 3.62Å; M692-R694 HydrophobicContact CE-CG 3.57Å
695S26.7Very low34.2Very low109 Ų109154.6 Ų154.676%0.76280%0.803SS**  trans-113.7152.3165.1-590000110.7
696P41.1Very low34Very low132 Ų132154 Ų15486%0.85780%0.803SS**  trans-88.3162.3-165.834.7-36.8000115
697S30.1Very low33.7Very low103 Ų103150.2 Ų150.272%0.7280%0.8SS**  trans-131.9168.7164.765.20000109.6
698Y34.7Very low32.8Very low232 Ų232148.6 Ų148.691%0.9180%0.798SS**  trans-143.5157.8150.7-108.7-77.1000110.4
699S29.8Very low32.8Very low95 Ų95145.4 Ų145.466%0.66479%0.793SS**  trans-133.8153.9-153.155.90000114.3
700H31.1Very low32.6Very low189 Ų189147.5 Ų147.588%0.87580%0.796SS**  trans-58.5150.6164.8-84.2-100.3000112.9
701Q31.2Very low31.7Very low184 Ų184151 Ų15186%0.8679%0.792SS**  trans-120.2172.6161.5-84.6-169.2-15.300111.3
702K31.6Very low31.7Very low196 Ų196152.7 Ų152.785%0.85279%0.794SS**  trans-147.9122.2-161.7179.2-174179.8-1750111.2
703L27.1Very low31.3Very low153 Ų153154.1 Ų154.180%0.80180%0.804SS**  trans-122.8130.7163-83.685.1000106.3
704S28.4Very low30.7Very low104 Ų104153.1 Ų153.173%0.72780%0.8SS**  cis87.9142.548.780.60000112.6
705Y29.8Very low31.3Very low220 Ų220148.5 Ų148.586%0.86380%0.799SS**  trans-134.3129.7-155.8-162-82.9000108.8
706I29.8Very low31.6Very low161 Ų161154.6 Ų154.683%0.82681%0.805SS**  trans-135.5140.4176-66.3-177.6000108.5
707S28Very low31.1Very low102 Ų102156.6 Ų156.671%0.71381%0.807SS**  trans-114.8151.1169.7-176.20000108.9
708A30.3Very low31.1Very low99 Ų99155.3 Ų155.382%0.81881%0.81SS**  trans-138150.4174.100000109.6
709H32.3Very low30.8Very low179 Ų179148.1 Ų148.183%0.82981%0.807SS**  trans-140.3124-167.7-136.6-53000109.2
710D29.6Very low30.8Very low149 Ų149152.1 Ų152.180%0.79782%0.815SS**  trans-167.6166.4160.7-105.1-27.7000108.8
711R30Very low30.8Very low205 Ų205152.5 Ų152.577%0.77481%0.809SS**  -175.8131.4-55.5169.7175179.1161.71.7107.2
712T30.5Very low30.7Very low118 Ų118150.4 Ų150.472%0.72480%0.799SS**  trans58.2131.3176.740.80000114.9
713D27.8Very low30.6Very low159 Ų159146.8 Ų146.885%0.8579%0.794SS**  -145-172.556.7-98.9-36.2000115.6
714S32.6Very low30.7Very low109 Ų109147.7 Ų147.776%0.76280%0.796SS**  trans-137.8166-176.3-990000109.7
715P44.9Very low31.1Very low121 Ų121152.6 Ų152.679%0.78680%0.804SS**  cis-142.4-172.840.841.2-20.9000116.9
716R31.9Very low31.2Very low237 Ų237148.2 Ų148.289%0.89480%0.8SS**  trans-110.9151.7170.8-63.4-178.8177.3-168-0.2111.8
717L31.8Very low31.3Very low173 Ų173148.6 Ų148.691%0.90680%0.804SS**  trans-117.9153142-76.479.8000107.5
718G29Very low31.4Very low76 Ų76147.6 Ų147.678%0.78481%0.81SS**  cis164.7113.2-1000000112.3
719G29.3Very low31.3Very low82 Ų82151.7 Ų151.785%0.84581%0.812SS**  trans73.5166.5174.300000116.5
720Q28.9Very low31.2Very low178 Ų178151.4 Ų151.483%0.83281%0.813SS**  cis-159.1161.4-17.9-143.2-176.617.800110.9
721R31.2Very low31.1Very low197 Ų197150.9 Ų150.974%0.74381%0.81SS**  trans13.3126155.2-77.8-166.3143143.10120.6
722E30.3Very low31Very low140 Ų140147 Ų14765%0.65481%0.813SS**  100.3140.260.7-86.9-170.312300113.8
723T30Very low31Very low121 Ų121149.9 Ų149.974%0.74282%0.818SS**  trans54.7117.6160.956.80000121.5
724M28.5Very low31.1Very low171 Ų171150.4 Ų150.484%0.84282%0.82SS**  178.315699.4-92-178.380.200112.5V726M724-V726 HydrophobicContact CE-CG2 4.11Å
725K36.6Very low31Very low207 Ų207150.7 Ų150.790%0.982%0.822SS**  trans-118.7126.4165.9-86.3-174.4174.7-177.80108.9
726V31.5Very low30.5Very low128 Ų128151 Ų15178%0.77682%0.824SS**  trans-145.3151161.9-176.10000108.6M724M724-V726 HydrophobicContact CE-CG2 4.11Å
727N32.5Very low30.4Very low170 Ų170144.3 Ų144.391%0.90981%0.813SS**  trans-73.3157.5177.6-70.5-14.6000112.9
728G29Very low30.7Very low81 Ų81147.8 Ų147.884%0.83581%0.814SS**  trans-162.5134.4164.100000110.8
729Q30Very low31.1Very low184 Ų184152.3 Ų152.386%0.8682%0.815SS**  trans-138114.9-176.7172.4-174.4-9.900109.5
730M28.8Very low31.5Very low173 Ų173151.3 Ų151.385%0.85280%0.804SS**  trans-171.2159.9148.3-135.961.6168.400110.6
731D28.5Very low32.2Very low139 Ų139149.2 Ų149.274%0.74380%0.799SS**  trans-83.5152.2-173.9-50.3-93.3000114.4
732C28.3Very low32.8Very low124 Ų124143 Ų14384%0.83878%0.783SS**  -179162.7116.8-96.10000115.2
733H30.1Very low33.6Very low177 Ų177144 Ų14482%0.81979%0.785SS**  trans-42.5141.9-179.7-60.7-99.3000117.8
734L29.1Very low34.5Very low171 Ų171144.9 Ų144.990%0.89578%0.778SS**  -170138.7120.8-104.4162.3000112
735S30.5Very low35.8Very low114 Ų114141 Ų14180%0.79776%0.764SS**  trans-108.7126.4178.1-62.30000111.4
736P35.6Very low36.8Very low128 Ų128136 Ų13683%0.83175%0.751SS**  trans-85.7116.7166.531.8-29.4000110.2
737S29.6Very low37.9Very low96 Ų96131.3 Ų131.367%0.67173%0.729SS**  trans-76.5144.3176.658.70000111.8
738R37.7Very low38.5Very low247 Ų247131 Ų13193%0.93273%0.732SS**  trans-117114.2160.2-83.2-171.3170.3-171.8-3.1108.5
739H36.3Very low39.7Very low171 Ų171130.8 Ų130.879%0.79273%0.73SS**  trans-70.4129174.5-75.837.4000109.9
740G38.4Very low40.9Very low61 Ų61124.9 Ų124.963%0.62972%0.719SS**  trans-91.7142157.900000109.3V742G740-V742 PolarHBondContact O-N 3.01Å
741N42.8Very low41.7Very low133 Ų133120.1 Ų120.171%0.71170%0.699SS**  trans-76.394.2179.5-73.3-51.9000110.5V757N741-V757 PolarHBondContact O-N 3.34Å
742V43.9Very low43Very low67 Ų67117.3 Ų117.341%0.40669%0.687SS.*EExtended strand (participates in β ladder)trans-101.7119.6170.8-177.30000108.8G740 E754G740-V742 PolarHBondContact O-N 3.01Å; V742-E754 HydrophobicContact CG1-CB 3.83Å; V742-E754 HydrophobicContact CG1-CG 3.9Å
743K48.9Very low44.3Very low162 Ų162118 Ų11870%0.70467%0.674SS**EExtended strand (participates in β ladder)trans-99.4132.4167.1-81.1-173.2174.4-179.20109.5I755K743-I755 PolarHBondContact N-O 3.07Å; K743-I755 VanDerWaalsContact N-O 3.11Å; K743-I755 PolarHBondContact O-N 3.5Å; K743-I755 VanDerWaalsContact O-N 3.16Å
744K48Very low45.3Very low139 Ų139115.6 Ų115.660%0.60466%0.663SS**EExtended strand (participates in β ladder)trans-88.5133.3170.3-59.3-164178.8-151.40109T752 E754K744-T752 HydrophobicContact CB-CG2 4.21Å; K744-E754 HydrophobicContact CD-CG 4.27Å; K744-E754 WeakPolarHBondContact CE-OE1 3.37Å; K744-E754 HydrophobicContact CG-CG 3.97Å; K744-E754 IonicContact NZ-OE1 2.62Å; K744-E754 PolarHBondContact NZ-OE1 2.99Å
745V55.3Low46.5Very low88 Ų88112.1 Ų112.153%0.53364%0.644SS.*EExtended strand (participates in β ladder)trans-129.1125.9172.2-174.20000108.6Y753V745-Y753 PolarHBondContact N-O 3.07Å; V745-Y753 PolarHBondContact O-N 3.19Å
746T57.5Low47.5Very low104 Ų104111.4 Ų111.464%0.63864%0.639SS**EExtended strand (participates in β ladder)trans-88.1125.1177.2110000110.2T752T746-T752 HydrophobicContact CG2-CG2 4.22Å; T746-T752 VanDerWaalsContact CG2-OG1 3.23Å; T746-T752 WeakPolarHBondContact CG2-OG1 3.46Å
747G54.2Low48.1Very low29 Ų29113.3 Ų113.330%0.29965%0.648SS.*PPolyproline II helixtrans-82.7150.7170.700000112.1G749 G750 T751G747-G749 PolarHBondContact O-N 2.92Å; G747-G750 PolarHBondContact O-N 3.06Å; G747-T751 PolarHBondContact N-O 3.03Å
748V46.5Very low49.1Very low163 Ų163114.2 Ų114.299%0.98865%0.647SS**THydrogen-bonded Turntrans-63.6119.6169.3-176.70000108.1
749G53.1Low49.7Very low77 Ų77107.2 Ų107.279%0.79463%0.632SS**THydrogen-bonded Turntrans115.3-5.2-165.600000114.2G747 T751G747-G749 PolarHBondContact O-N 2.92Å; G749-T751 PolarHBondContact O-N 2.91Å
750G55.2Low50.4Low60 Ų60103.7 Ų103.762%0.61962%0.623SS**SBendtrans86.8-2.7169.500000115.4G747 T752G747-G750 PolarHBondContact O-N 3.06Å; G750-T752 PolarHBondContact O-N 2.74Å
751T46.9Very low51.1Low72 Ų72106.2 Ų106.244%0.44262%0.622SS.*  trans-72.2126.8170.247.40000110.3G747 G749 Y753G747-T751 PolarHBondContact N-O 3.03Å; G749-T751 PolarHBondContact O-N 2.91Å; T751-Y753 WeakPolarHBondContact OG1-CE2 3.35Å; T751-Y753 PolarHBondContact OG1-OH 2.67Å
752T55.8Low51.6Low80 Ų80104.5 Ų104.549%0.49162%0.617SS.*EExtended strand (participates in β ladder)trans-105.6131.3175.8-52.20000109K744 T746 G750K744-T752 HydrophobicContact CB-CG2 4.21Å; T746-T752 HydrophobicContact CG2-CG2 4.22Å; T746-T752 VanDerWaalsContact CG2-OG1 3.23Å; T746-T752 WeakPolarHBondContact CG2-OG1 3.46Å; G750-T752 PolarHBondContact O-N 2.74Å
753Y55.8Low52.1Low140 Ų140107 Ų10755%0.54963%0.631SS.*EExtended strand (participates in β ladder)trans-112.4134.2177.1-57.9-86.5000110.1V745 T751V745-Y753 PolarHBondContact N-O 3.07Å; V745-Y753 PolarHBondContact O-N 3.19Å; T751-Y753 WeakPolarHBondContact OG1-CE2 3.35Å; T751-Y753 PolarHBondContact OG1-OH 2.67Å
754E50.5Low52.4Low126 Ų126103.1 Ų103.159%0.58963%0.626SS**EExtended strand (participates in β ladder)trans-91.4123.4167.4-81.3177.6-167.400108.8V742 K744V742-E754 HydrophobicContact CG1-CB 3.83Å; V742-E754 HydrophobicContact CG1-CG 3.9Å; K744-E754 HydrophobicContact CD-CG 4.27Å; K744-E754 WeakPolarHBondContact CE-OE1 3.37Å; K744-E754 HydrophobicContact CG-CG 3.97Å; K744-E754 IonicContact NZ-OE1 2.62Å; K744-E754 PolarHBondContact NZ-OE1 2.99Å
755I53Low52.7Low98 Ų98100.3 Ų100.350%0.50363%0.627SS.*EExtended strand (participates in β ladder)trans-119.5118.2173.7-57.3178.6000107.9K743 V757K743-I755 PolarHBondContact N-O 3.07Å; K743-I755 VanDerWaalsContact N-O 3.11Å; K743-I755 PolarHBondContact O-N 3.5Å; K743-I755 VanDerWaalsContact O-N 3.16Å; I755-V757 HydrophobicContact CG2-CG2 4.49Å
756S53.3Low52.5Low98 Ų98101.3 Ų101.369%0.68564%0.635SS**EExtended strand (participates in β ladder)trans-78.5134.8166.3-53.80000109.4
757V48.1Very low52Low169 Ų169101.1 Ų101.1100%1.02464%0.635SS**  trans-115.40178.2-172.40000110.1N741 I755N741-V757 PolarHBondContact O-N 3.34Å; I755-V757 HydrophobicContact CG2-CG2 4.49Å

Retrieved 757 of 757 residues in 213 ms (Link to these results)

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