A0A087YI83_POEFO Loading...

TBC1 domain family, member 25

AlphaFold DB , UniProt , Accession A0A087YI83, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 846 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
1M44.4Very low55.1Low251 Ų251121.8 Ų121.8100%1.23667%0.665SS**  0120.20-82.3-178.716600108.1
2A33.1Very low57.7Low107 Ų107111.8 Ų111.888%0.88461%0.61SS**  trans137.163.2-173.800000104.8
3G34.8Very low59.9Low67 Ų67108.8 Ų108.869%0.69159%0.588SS**  9685.350.800000105.3E5G3-E5 VanDerWaalsContact C-N 3.32Å; G3-E5 PolarHBondContact O-N 2.81Å
4E41.4Very low62.1Low199 Ų199101.1 Ų101.193%0.9355%0.546SS*.  trans-66.893.2179.4-67.8167.3149.200107.5E6E4-E6 PolarHBondContact O-N 2.94Å
5E44.8Very low63.6Low128 Ų12898.7 Ų98.760%0.59853%0.528SS*.  trans-57.3113.5164.7-78.6-165148.300106.6G3 R7 K89G3-E5 VanDerWaalsContact C-N 3.32Å; G3-E5 PolarHBondContact O-N 2.81Å; E5-R7 HydrophobicContact CB-CG 4.39Å; E5-R7 WeakPolarHBondContact O-CG 3.41Å; E5-R7 PolarHBondContact O-N 3.24Å; E5-K89 IonicContact OE2-NZ 2.83Å
6E47.8Very low65Low167 Ų16794.9 Ų94.978%0.7851%0.506SS*.  trans-62.686.5171.1-171.2173.3-13600108.3E4 G8E4-E6 PolarHBondContact O-N 2.94Å; E6-G8 VanDerWaalsContact C-N 3.27Å; E6-G8 PolarHBondContact O-N 3.06Å
7R56.5Low65.5Low98 Ų9891.4 Ų91.437%0.3749%0.49SS..  trans-72.681.4-172.8-75-166.5-178.4-167.86110.3E5 F84 M85E5-R7 HydrophobicContact CB-CG 4.39Å; E5-R7 WeakPolarHBondContact O-CG 3.41Å; E5-R7 PolarHBondContact O-N 3.24Å; R7-F84 PolarHBondContact NH1-O 2.9Å; R7-M85 PolarHBondContact NH1-O 2.75Å
8G66.8Low65.6Low54 Ų5490.1 Ų90.156%0.55748%0.483SS*.  trans-55.1159.9168.200000112.8E6 V10E6-G8 VanDerWaalsContact C-N 3.27Å; E6-G8 PolarHBondContact O-N 3.06Å; G8-V10 PolarHBondContact O-N 2.91Å
9V72.6Confident65.3Low85 Ų8589.8 Ų89.852%0.51550%0.504SS..  trans-21.1106.8-168.1-158.20000116.2A29 V30V9-A29 HydrophobicContact CG1-CB 3.53Å; V9-V30 CarbonylContact C-O 3.39Å; V9-V30 WeakPolarHBondContact CA-O 3.43Å; V9-V30 WeakPolarHBondContact CG1-O 3.48Å
10V81.1Confident64.7Low24 Ų2490.1 Ų90.115%0.14552%0.518CS..EExtended strand (participates in β ladder)trans-77.4133175.6175.40000110G8 V30 P32 F84 L92G8-V10 PolarHBondContact O-N 2.91Å; V10-V30 PolarHBondContact N-O 2.85Å; V10-V30 PolarHBondContact O-N 2.75Å; V10-P32 HydrophobicContact CB-CG 4.33Å; V10-P32 HydrophobicContact CG2-CG 3.58Å; V10-F84 HydrophobicContact CB-CD1 4.3Å; V10-F84 HydrophobicContact CB-CE1 4.34Å; V10-F84 HydrophobicContact CG1-CD1 4.15Å; V10-F84 HydrophobicContact CG1-CE1 4.36Å; V10-F84 HydrophobicContact CG2-CD1 4.33Å; V10-L92 HydrophobicContact CG1-CB 4.21Å
11R82.4Confident64.2Low160 Ų16091.2 Ų91.260%0.60452%0.522SS*.EExtended strand (participates in β ladder)trans-81.9128.8170.8-72.9-172.3-68-148-5.2110.6A29 F91 L92R11-A29 HydrophobicContact CG-CB 4.42Å; R11-F91 HydrophobicContact CB-CB 4.39Å; R11-F91 CarbonylContact O-C 3.55Å; R11-F91 WeakPolarHBondContact O-CA 3.37Å; R11-F91 WeakPolarHBondContact O-CB 3.31Å; R11-L92 PolarHBondContact O-N 2.95Å
12V87.2Confident64.6Low1 Ų185.1 Ų85.11%0.00650%0.5CS..EExtended strand (participates in β ladder)trans-110.5130.9178.7-177.20000108.7V14 S27 F28 V30 L92 L94V12-V14 HydrophobicContact CG1-CG2 3.99Å; V12-S27 CarbonylContact O-C 3.59Å; V12-S27 WeakPolarHBondContact O-CA 3.02Å; V12-S27 WeakPolarHBondContact O-CB 3.46Å; V12-F28 HydrophobicContact CB-CD2 4.39Å; V12-F28 HydrophobicContact CB-CE2 4.12Å; V12-F28 HydrophobicContact CB-CZ 4.47Å; V12-F28 HydrophobicContact CG1-CE2 4.33Å; V12-F28 HydrophobicContact CG1-CZ 4.25Å; V12-F28 PolarHBondContact N-O 2.9Å; V12-F28 PolarHBondContact O-N 3.02Å; V12-V30 HydrophobicContact CB-CG2 4.23Å; V12-V30 HydrophobicContact CG2-CB 3.96Å; V12-V30 HydrophobicContact CG2-CG2 3.55Å; V12-L92 WeakPolarHBondContact CA-O 3.25Å; V12-L92 HydrophobicContact CG2-CB 4.39Å; V12-L92 HydrophobicContact CG2-CD2 4.37Å; V12-L94 HydrophobicContact CG1-CD1 3.54Å; V12-L94 HydrophobicContact CG1-CG 3.85Å
13K86.2Confident66.1Low74 Ų7484.4 Ų84.432%0.32249%0.485SS..EExtended strand (participates in β ladder)trans-119.2119.6174.9-175.9171.5-175.8173.50109.7F91 L92 Q93 L94K13-F91 HydrophobicContact CB-CD2 3.91Å; K13-F91 HydrophobicContact CB-CE2 4.48Å; K13-F91 HydrophobicContact CB-CG 4.28Å; K13-F91 HydrophobicContact CD-CD2 4.5Å; K13-F91 HydrophobicContact CD-CE2 4.34Å; K13-L92 PolarHBondContact N-O 2.83Å; K13-Q93 WeakPolarHBondContact O-CA 3.25Å; K13-L94 PolarHBondContact O-N 3.28Å
14V89.8Confident68.1Low0 Ų084 Ų840%047%0.465CS..EExtended strand (participates in β ladder)trans-110.5132.9-172.6-169.80000109.6V12 S25 R26 F28 L44 F48 L94 M96V12-V14 HydrophobicContact CG1-CG2 3.99Å; V14-S25 WeakPolarHBondContact O-CA 3.43Å; V14-S25 WeakPolarHBondContact O-CB 3.21Å; V14-R26 PolarHBondContact N-O 2.87Å; V14-R26 PolarHBondContact O-N 3.26Å; V14-R26 VanDerWaalsContact O-N 3.17Å; V14-F28 HydrophobicContact CG2-CE1 3.66Å; V14-F28 HydrophobicContact CG2-CZ 3.95Å; V14-L44 HydrophobicContact CB-CD2 4.3Å; V14-L44 HydrophobicContact CG1-CD2 3.86Å; V14-L44 HydrophobicContact CG2-CD2 3.66Å; V14-F48 HydrophobicContact CB-CE2 3.92Å; V14-F48 HydrophobicContact CB-CZ 4.03Å; V14-F48 HydrophobicContact CG1-CE2 3.77Å; V14-F48 HydrophobicContact CG1-CZ 4.02Å; V14-L94 WeakPolarHBondContact CA-O 3.46Å; V14-L94 HydrophobicContact CG1-CB 4.4Å; V14-L94 HydrophobicContact CG2-CB 4.3Å; V14-L94 HydrophobicContact CG2-CD1 4.43Å; V14-M96 HydrophobicContact CG1-CB 3.82Å
15K85.9Confident70Confident66 Ų6677.5 Ų77.529%0.28744%0.442SS..EExtended strand (participates in β ladder)trans-107.4119.5168.1-67.9171.5-179.31650108.8V23 L94 M96K15-V23 HydrophobicContact CB-CG1 4.09Å; K15-V23 HydrophobicContact CG-CG1 4.47Å; K15-L94 PolarHBondContact N-O 2.8Å; K15-M96 PolarHBondContact O-N 2.89Å
16K84.6Confident71.7Confident38 Ų3875.7 Ų75.717%0.16543%0.429CS..EExtended strand (participates in β ladder)trans-87.3117.5173.9172.2177.7157.8-165.20108.7E24 F48 M96 V98K16-E24 HydrophobicContact CB-CB 4.28Å; K16-E24 HydrophobicContact CD-CB 4.35Å; K16-E24 WeakPolarHBondContact CD-OE2 2.88Å; K16-E24 PolarHBondContact N-O 3.47Å; K16-E24 IonicContact NZ-OE2 3.5Å; K16-E24 PolarHBondContact NZ-OE2 3Å; K16-F48 HydrophobicContact CB-CD1 4.31Å; K16-F48 HydrophobicContact CB-CE1 3.86Å; K16-F48 HydrophobicContact CB-CZ 4.24Å; K16-F48 HydrophobicContact CD-CD1 3.73Å; K16-F48 HydrophobicContact CD-CE1 4.1Å; K16-F48 HydrophobicContact CD-CG 4.37Å; K16-M96 WeakPolarHBondContact CA-O 3.21Å; K16-V98 HydrophobicContact CD-CG2 4.38Å; K16-V98 HydrophobicContact CG-CG2 3.83Å
17C74.9Confident73.5Confident35 Ų3572.1 Ų72.124%0.23642%0.423CS..EExtended strand (participates in β ladder)trans-102.3122173.5-71.20000108.6M96 D97 V98C17-M96 PolarHBondContact N-O 2.77Å; C17-D97 WeakPolarHBondContact CB-OD1 3.29Å; C17-V98 PolarHBondContact O-N 2.71Å
18D67Low74.9Confident67 Ų6769.5 Ų69.536%0.35841%0.414SS..  trans-132.5133.4179.5-170.9-11.9000107.1A20 L21D18-A20 PolarHBondContact O-N 3.29Å; D18-L21 PolarHBondContact O-N 3.47Å
19G60.3Low75.8Confident86 Ų8670 Ų7089%0.88741%0.413SS*.THydrogen-bonded Turntrans-66-8-152.200000117
20A53Low76.4Confident95 Ų9566.1 Ų66.179%0.78539%0.389SS*.THydrogen-bonded Turntrans-141.49.2-177.300000114.5D18D18-A20 PolarHBondContact O-N 3.29Å
21L54.2Low76.5Confident114 Ų11467.4 Ų67.460%0.59740%0.395SS*.SBendtrans-130.9157.1-168.7-72.7177.7000113.2D18D18-L21 PolarHBondContact O-N 3.47Å
22P51.4Low76.4Confident122 Ų12261 Ų6179%0.79238%0.375SS*.  trans-63.1137.2-179.825.3-34.7000112.3E24P22-E24 PolarHBondContact O-N 3.31Å
23V65Low75.9Confident92 Ų9267.5 Ų67.556%0.55841%0.405SS*.  trans-62.6106.9-174.5178.20000111.5K15K15-V23 HydrophobicContact CB-CG1 4.09Å; K15-V23 HydrophobicContact CG-CG1 4.47Å
24E76.7Confident75.5Confident58 Ų5870.1 Ų70.127%0.27142%0.421SS..EExtended strand (participates in β ladder)trans-75.7136.9172.7-168.1-174.317600109.7K16 P22 R26 F48K16-E24 HydrophobicContact CB-CB 4.28Å; K16-E24 HydrophobicContact CD-CB 4.35Å; K16-E24 WeakPolarHBondContact CD-OE2 2.88Å; K16-E24 PolarHBondContact N-O 3.47Å; K16-E24 IonicContact NZ-OE2 3.5Å; K16-E24 PolarHBondContact NZ-OE2 3Å; P22-E24 PolarHBondContact O-N 3.31Å; E24-R26 IonicContact OE1-CZ 3.64Å; E24-R26 IonicContact OE1-NE 3.53Å; E24-R26 PolarHBondContact OE1-NE 2.68Å; E24-R26 IonicContact OE1-NH2 3.26Å; E24-R26 PolarHBondContact OE1-NH2 3.32Å; E24-F48 HydrophobicContact CB-CE1 4.47Å; E24-F48 HydrophobicContact CG-CD1 4.42Å; E24-F48 HydrophobicContact CG-CE1 4.07Å
25S81.4Confident75.2Confident63 Ų6370.8 Ų70.844%0.44143%0.425SS..EExtended strand (participates in β ladder)trans-135127.5174.981.30000112.3V14V14-S25 WeakPolarHBondContact O-CA 3.43Å; V14-S25 WeakPolarHBondContact O-CB 3.21Å
26R81.3Confident75.3Confident91 Ų9169.7 Ų69.734%0.34343%0.426SS..EExtended strand (participates in β ladder)trans-122.4156.3177-62.5-178.4-174.6-1617.9109V14 E24 A47 F48 D49V14-R26 PolarHBondContact N-O 2.87Å; V14-R26 PolarHBondContact O-N 3.26Å; V14-R26 VanDerWaalsContact O-N 3.17Å; E24-R26 IonicContact OE1-CZ 3.64Å; E24-R26 IonicContact OE1-NE 3.53Å; E24-R26 PolarHBondContact OE1-NE 2.68Å; E24-R26 IonicContact OE1-NH2 3.26Å; E24-R26 PolarHBondContact OE1-NH2 3.32Å; R26-A47 WeakPolarHBondContact CD-O 3.42Å; R26-A47 VanDerWaalsContact CZ-O 3.23Å; R26-A47 PolarHBondContact NE-O 2.82Å; R26-A47 PolarHBondContact NH1-O 3.18Å; R26-F48 HydrophobicContact CB-CE1 4.05Å; R26-F48 HydrophobicContact CB-CE2 4.29Å; R26-F48 HydrophobicContact CB-CZ 3.75Å; R26-F48 HydrophobicContact CG-CD1 4.23Å; R26-F48 HydrophobicContact CG-CE1 3.68Å; R26-F48 HydrophobicContact CG-CZ 3.95Å; R26-D49 IonicContact CZ-OD2 2.73Å; R26-D49 IonicContact NH1-OD2 3.17Å; R26-D49 PolarHBondContact NH1-OD2 2.81Å; R26-D49 IonicContact NH2-OD2 3.15Å; R26-D49 PolarHBondContact NH2-OD2 3.46Å
27S84.6Confident75.4Confident91 Ų9168.6 Ų68.664%0.63642%0.422SS*.EExtended strand (participates in β ladder)trans-141.8134.9179.658.10000111.4V12V12-S27 CarbonylContact O-C 3.59Å; V12-S27 WeakPolarHBondContact O-CA 3.02Å; V12-S27 WeakPolarHBondContact O-CB 3.46Å
28F87.6Confident75.8Confident43 Ų4372.2 Ų72.219%0.18944%0.435CS..EExtended strand (participates in β ladder)trans-139.2177.1-177.849.5-91000110.1V12 V14 V30 L40 I43 L44 A47V12-F28 HydrophobicContact CB-CD2 4.39Å; V12-F28 HydrophobicContact CB-CE2 4.12Å; V12-F28 HydrophobicContact CB-CZ 4.47Å; V12-F28 HydrophobicContact CG1-CE2 4.33Å; V12-F28 HydrophobicContact CG1-CZ 4.25Å; V12-F28 PolarHBondContact N-O 2.9Å; V12-F28 PolarHBondContact O-N 3.02Å; V14-F28 HydrophobicContact CG2-CE1 3.66Å; V14-F28 HydrophobicContact CG2-CZ 3.95Å; F28-V30 HydrophobicContact CD2-CG2 3.46Å; F28-V30 VanDerWaalsContact CD2-CG2 3.46Å; F28-V30 HydrophobicContact CE2-CG2 3.45Å; F28-V30 VanDerWaalsContact CE2-CG2 3.45Å; F28-L40 HydrophobicContact CE2-CD1 4.04Å; F28-L40 HydrophobicContact CZ-CD1 4.22Å; F28-I43 HydrophobicContact CD2-CG2 3.78Å; F28-I43 HydrophobicContact CE1-CG2 4.35Å; F28-I43 HydrophobicContact CE2-CG2 3.47Å; F28-I43 VanDerWaalsContact CE2-CG2 3.47Å; F28-I43 HydrophobicContact CG-CG2 4.35Å; F28-I43 HydrophobicContact CZ-CG2 3.79Å; F28-L44 HydrophobicContact CE1-CD2 4.14Å; F28-L44 HydrophobicContact CZ-CD2 3.92Å; F28-L44 HydrophobicContact CZ-CG 4.47Å; F28-A47 HydrophobicContact CD1-CB 4.41Å; F28-A47 HydrophobicContact CE1-CB 4.29Å
29A84Confident76.8Confident64 Ų6471.9 Ų71.953%0.52944%0.436SS..EExtended strand (participates in β ladder)trans-115.8138.3-179.100000109.1V9 R11V9-A29 HydrophobicContact CG1-CB 3.53Å; R11-A29 HydrophobicContact CG-CB 4.42Å
30V85.4Confident78.1Confident4 Ų467.9 Ų67.92%0.02439%0.394CS..EExtended strand (participates in β ladder)trans-135.3133.9-169.4-179.80000109V9 V10 V12 F28 T35 F84V9-V30 CarbonylContact C-O 3.39Å; V9-V30 WeakPolarHBondContact CA-O 3.43Å; V9-V30 WeakPolarHBondContact CG1-O 3.48Å; V10-V30 PolarHBondContact N-O 2.85Å; V10-V30 PolarHBondContact O-N 2.75Å; V12-V30 HydrophobicContact CB-CG2 4.23Å; V12-V30 HydrophobicContact CG2-CB 3.96Å; V12-V30 HydrophobicContact CG2-CG2 3.55Å; F28-V30 HydrophobicContact CD2-CG2 3.46Å; F28-V30 VanDerWaalsContact CD2-CG2 3.46Å; F28-V30 HydrophobicContact CE2-CG2 3.45Å; F28-V30 VanDerWaalsContact CE2-CG2 3.45Å; V30-T35 HydrophobicContact CG1-CG2 3.55Å; V30-T35 VanDerWaalsContact CG1-OG1 3.25Å; V30-T35 WeakPolarHBondContact CG1-OG1 3.45Å; V30-F84 HydrophobicContact CG1-CE1 4.28Å; V30-F84 HydrophobicContact CG1-CZ 3.82Å
31D83.1Confident79.7Confident51 Ų5165.3 Ų65.327%0.27337%0.366SS..  trans-91.4117.8173.5-167.2-45.4000109.7Q33 I34 T35D31-Q33 VanDerWaalsContact C-N 3.26Å; D31-Q33 PolarHBondContact O-N 3.22Å; D31-Q33 PolarHBondContact OD1-N 3.48Å; D31-I34 HydrophobicContact CB-CD1 4.24Å; D31-I34 HydrophobicContact CB-CG1 3.86Å; D31-I34 PolarHBondContact O-N 3.41Å; D31-T35 VanDerWaalsContact O-CB 3.29Å; D31-T35 WeakPolarHBondContact O-CB 3.44Å; D31-T35 PolarHBondContact O-N 2.85Å; D31-T35 PolarHBondContact O-OG1 3.25Å
32P81.2Confident81Confident26 Ų2665 Ų6517%0.16936%0.361CS..THydrogen-bonded Turntrans-60.5-30.5-179.3-24.135.4000114V10 I34 F84V10-P32 HydrophobicContact CB-CG 4.33Å; V10-P32 HydrophobicContact CG2-CG 3.58Å; P32-I34 PolarHBondContact O-N 3.06Å; P32-F84 HydrophobicContact CB-CD2 3.86Å; P32-F84 HydrophobicContact CB-CE2 4.02Å; P32-F84 HydrophobicContact CB-CG 4.16Å; P32-F84 HydrophobicContact CB-CZ 4.48Å; P32-F84 HydrophobicContact CG-CD1 4.23Å; P32-F84 HydrophobicContact CG-CD2 4.38Å; P32-F84 HydrophobicContact CG-CE1 4.4Å; P32-F84 HydrophobicContact CG-CG 4.24Å
33Q75.9Confident82.6Confident137 Ų13761.7 Ų61.764%0.6434%0.336SS*.THydrogen-bonded Turntrans-71.5-17.5-172.9-60.5-171.56.800113.7D31D31-Q33 VanDerWaalsContact C-N 3.26Å; D31-Q33 PolarHBondContact O-N 3.22Å; D31-Q33 PolarHBondContact OD1-N 3.48Å
34I77.8Confident83.7Confident129 Ų12957.4 Ų57.466%0.66231%0.31SS*.THydrogen-bonded Turntrans-129.63.2-174.560.7167.5000113.9D31 P32D31-I34 HydrophobicContact CB-CD1 4.24Å; D31-I34 HydrophobicContact CB-CG1 3.86Å; D31-I34 PolarHBondContact O-N 3.41Å; P32-I34 PolarHBondContact O-N 3.06Å
35T84.7Confident83.9Confident14 Ų1455.2 Ų55.29%0.08630%0.3CS..  trans-111.294-176.1-50.60000111.3V30 D31 V39 L40 I43 L80V30-T35 HydrophobicContact CG1-CG2 3.55Å; V30-T35 VanDerWaalsContact CG1-OG1 3.25Å; V30-T35 WeakPolarHBondContact CG1-OG1 3.45Å; D31-T35 VanDerWaalsContact O-CB 3.29Å; D31-T35 WeakPolarHBondContact O-CB 3.44Å; D31-T35 PolarHBondContact O-N 2.85Å; D31-T35 PolarHBondContact O-OG1 3.25Å; T35-V39 HydrophobicContact CG2-CB 4.07Å; T35-V39 HydrophobicContact CG2-CG1 3.99Å; T35-L40 HydrophobicContact CG2-CB 4.01Å; T35-I43 HydrophobicContact CG2-CD1 4.43Å; T35-L80 WeakPolarHBondContact O-CD2 3.28Å
36S87.3Confident83.9Confident44 Ų4461 Ų6131%0.30831%0.312SS..  trans-69.9167.9163.666.80000111.8E38 V39 L40 D77S36-E38 PolarHBondContact O-N 2.84Å; S36-V39 PolarHBondContact O-N 3.31Å; S36-V39 VanDerWaalsContact O-N 3.09Å; S36-V39 PolarHBondContact OG-N 3.45Å; S36-L40 PolarHBondContact O-N 2.86Å; S36-D77 WeakPolarHBondContact CA-OD1 3.5Å; S36-D77 VanDerWaalsContact CB-OD1 3.27Å; S36-D77 WeakPolarHBondContact CB-OD1 3.48Å
37L86.8Confident84Confident14 Ų1457.8 Ų57.87%0.07331%0.305CS..Hα-helixtrans-57.2-36.5174.6177.851.5000112L40 Q41 L74 D77 L80L37-L40 PolarHBondContact O-N 3.48Å; L37-Q41 HydrophobicContact CD1-CG 4.14Å; L37-Q41 WeakPolarHBondContact O-CB 3.38Å; L37-Q41 VanDerWaalsContact O-CG 3.27Å; L37-Q41 WeakPolarHBondContact O-CG 3.34Å; L37-Q41 PolarHBondContact O-N 2.94Å; L37-L74 HydrophobicContact CD1-CD2 3.53Å; L37-L74 HydrophobicContact CD2-CD2 3.75Å; L37-L74 HydrophobicContact CG-CD2 4.16Å; L37-D77 WeakPolarHBondContact CB-OD1 3.47Å; L37-D77 PolarHBondContact N-OD1 3.01Å; L37-L80 HydrophobicContact CB-CD2 4.37Å
38E84.3Confident83.8Confident111 Ų11153.8 Ų53.852%0.51928%0.276SS..Hα-helixtrans-63.3-45.1173.6-67.9-131.4103.400112.3S36 L40 Q41 H42 R54S36-E38 PolarHBondContact O-N 2.84Å; E38-L40 VanDerWaalsContact C-N 3.34Å; E38-Q41 PolarHBondContact O-N 3.36Å; E38-H42 WeakPolarHBondContact O-CB 3.38Å; E38-H42 PolarHBondContact O-N 2.82Å; E38-R54 IonicContact OE1-CZ 2.87Å; E38-R54 IonicContact OE1-NH1 2.73Å; E38-R54 PolarHBondContact OE1-NH1 2.73Å; E38-R54 IonicContact OE1-NH2 3.16Å; E38-R54 PolarHBondContact OE1-NH2 2.78Å
39V86.2Confident83.2Confident61 Ų6157.1 Ų57.137%0.3730%0.296SS..Hα-helixtrans-65.2-41.4177.3179.10000110T35 S36 H42 I43T35-V39 HydrophobicContact CG2-CB 4.07Å; T35-V39 HydrophobicContact CG2-CG1 3.99Å; S36-V39 PolarHBondContact O-N 3.31Å; S36-V39 VanDerWaalsContact O-N 3.09Å; S36-V39 PolarHBondContact OG-N 3.45Å; V39-H42 PolarHBondContact O-N 3.41Å; V39-I43 HydrophobicContact CG1-CD1 3.93Å; V39-I43 HydrophobicContact CG1-CG1 4.48Å; V39-I43 VanDerWaalsContact O-CG1 3.25Å; V39-I43 WeakPolarHBondContact O-CG1 3.35Å; V39-I43 PolarHBondContact O-N 3.49Å
40L87.9Confident82.6Confident2 Ų256.5 Ų56.51%0.0128%0.281CS..Hα-helixtrans-63-44.1175-177.861.2000112.1F28 T35 S36 L37 E38 H42 I43 L44 L80 L94F28-L40 HydrophobicContact CE2-CD1 4.04Å; F28-L40 HydrophobicContact CZ-CD1 4.22Å; T35-L40 HydrophobicContact CG2-CB 4.01Å; S36-L40 PolarHBondContact O-N 2.86Å; L37-L40 PolarHBondContact O-N 3.48Å; E38-L40 VanDerWaalsContact C-N 3.34Å; L40-H42 VanDerWaalsContact C-N 3.34Å; L40-H42 PolarHBondContact O-N 3.31Å; L40-I43 PolarHBondContact O-N 2.89Å; L40-L44 HydrophobicContact CG-CD1 4.36Å; L40-L44 WeakPolarHBondContact O-CB 3.38Å; L40-L44 VanDerWaalsContact O-CG 3.28Å; L40-L44 WeakPolarHBondContact O-CG 3.2Å; L40-L44 PolarHBondContact O-N 3.09Å; L40-L80 HydrophobicContact CD2-CD1 3.65Å; L40-L80 HydrophobicContact CD2-CD2 4.32Å; L40-L94 HydrophobicContact CD2-CD1 4.11Å
41Q87.1Confident81.5Confident40 Ų4063.8 Ų63.819%0.18732%0.321CS..Hα-helixtrans-60.3-42.8174.3-76.9175.415.500111.5L37 E38 L44 I45 F56L37-Q41 HydrophobicContact CD1-CG 4.14Å; L37-Q41 WeakPolarHBondContact O-CB 3.38Å; L37-Q41 VanDerWaalsContact O-CG 3.27Å; L37-Q41 WeakPolarHBondContact O-CG 3.34Å; L37-Q41 PolarHBondContact O-N 2.94Å; E38-Q41 PolarHBondContact O-N 3.36Å; Q41-L44 WeakPolarHBondContact O-CB 3.27Å; Q41-L44 PolarHBondContact O-N 3.32Å; Q41-I45 VanDerWaalsContact O-CG1 3.32Å; Q41-I45 WeakPolarHBondContact O-CG1 3.38Å; Q41-I45 PolarHBondContact O-N 2.72Å; Q41-F56 HydrophobicContact CB-CZ 4.38Å; Q41-F56 HydrophobicContact CG-CE2 4.36Å; Q41-F56 HydrophobicContact CG-CZ 4.44Å
42H81.1Confident80.4Confident107 Ų10764 Ų6450%0.49534%0.335SS..Hα-helixtrans-67.7-37.9177.1-176.6-130.4000112.4E38 V39 L40 I45 R46E38-H42 WeakPolarHBondContact O-CB 3.38Å; E38-H42 PolarHBondContact O-N 2.82Å; V39-H42 PolarHBondContact O-N 3.41Å; L40-H42 VanDerWaalsContact C-N 3.34Å; L40-H42 PolarHBondContact O-N 3.31Å; H42-I45 PolarHBondContact O-N 2.87Å; H42-R46 WeakPolarHBondContact O-CG 3.31Å; H42-R46 PolarHBondContact O-N 3.23Å
43I86.1Confident79.5Confident54 Ų5466.6 Ų66.628%0.27734%0.343SS..Hα-helixtrans-61.2-44.4170.3-68.7164.6000110.1F28 T35 V39 L40 R46 A47F28-I43 HydrophobicContact CD2-CG2 3.78Å; F28-I43 HydrophobicContact CE1-CG2 4.35Å; F28-I43 HydrophobicContact CE2-CG2 3.47Å; F28-I43 VanDerWaalsContact CE2-CG2 3.47Å; F28-I43 HydrophobicContact CG-CG2 4.35Å; F28-I43 HydrophobicContact CZ-CG2 3.79Å; T35-I43 HydrophobicContact CG2-CD1 4.43Å; V39-I43 HydrophobicContact CG1-CD1 3.93Å; V39-I43 HydrophobicContact CG1-CG1 4.48Å; V39-I43 VanDerWaalsContact O-CG1 3.25Å; V39-I43 WeakPolarHBondContact O-CG1 3.35Å; V39-I43 PolarHBondContact O-N 3.49Å; L40-I43 PolarHBondContact O-N 2.89Å; I43-R46 PolarHBondContact O-N 2.96Å; I43-A47 WeakPolarHBondContact O-CA 3.46Å; I43-A47 WeakPolarHBondContact O-CB 3.27Å; I43-A47 PolarHBondContact O-N 2.77Å
44L86.4Confident79.1Confident1 Ų166.3 Ų66.31%0.00534%0.336CS..Hα-helixtrans-61.9-44.6177-72.9170000112.7V14 F28 L40 Q41 R46 A47 F48 F56 V58 M96V14-L44 HydrophobicContact CB-CD2 4.3Å; V14-L44 HydrophobicContact CG1-CD2 3.86Å; V14-L44 HydrophobicContact CG2-CD2 3.66Å; F28-L44 HydrophobicContact CE1-CD2 4.14Å; F28-L44 HydrophobicContact CZ-CD2 3.92Å; F28-L44 HydrophobicContact CZ-CG 4.47Å; L40-L44 HydrophobicContact CG-CD1 4.36Å; L40-L44 WeakPolarHBondContact O-CB 3.38Å; L40-L44 VanDerWaalsContact O-CG 3.28Å; L40-L44 WeakPolarHBondContact O-CG 3.2Å; L40-L44 PolarHBondContact O-N 3.09Å; Q41-L44 WeakPolarHBondContact O-CB 3.27Å; Q41-L44 PolarHBondContact O-N 3.32Å; L44-R46 PolarHBondContact O-N 2.98Å; L44-A47 PolarHBondContact O-N 3.38Å; L44-F48 HydrophobicContact CD2-CE2 4.25Å; L44-F48 PolarHBondContact O-N 3.18Å; L44-F56 HydrophobicContact CB-CE2 4.36Å; L44-F56 HydrophobicContact CB-CZ 4.25Å; L44-F56 HydrophobicContact CD1-CE2 4.04Å; L44-V58 HydrophobicContact CD1-CG2 3.67Å; L44-M96 HydrophobicContact CB-CE 4.36Å; L44-M96 HydrophobicContact CD2-SD 4.49Å
45I82.8Confident78.7Confident12 Ų1263.2 Ų63.26%0.06232%0.321CS..Hα-helixtrans-57-50.2176.5-76.3165.2000110.5Q41 H42 D49 F50 R54 F56Q41-I45 VanDerWaalsContact O-CG1 3.32Å; Q41-I45 WeakPolarHBondContact O-CG1 3.38Å; Q41-I45 PolarHBondContact O-N 2.72Å; H42-I45 PolarHBondContact O-N 2.87Å; I45-D49 PolarHBondContact O-N 2.9Å; I45-D49 VanDerWaalsContact O-N 3.12Å; I45-F50 HydrophobicContact CB-CB 4.48Å; I45-F50 HydrophobicContact CG1-CB 4.47Å; I45-F50 HydrophobicContact CG2-CB 4.11Å; I45-F50 WeakPolarHBondContact CG2-O 3.03Å; I45-F50 PolarHBondContact O-N 3.02Å; I45-R54 HydrophobicContact CD1-CG 3.99Å; I45-F56 HydrophobicContact CD1-CE1 4.09Å; I45-F56 HydrophobicContact CD1-CZ 4.29Å; I45-F56 HydrophobicContact CG1-CE1 3.6Å; I45-F56 HydrophobicContact CG1-CZ 3.89Å
46R80.4Confident78.7Confident184 Ų18463.5 Ų63.569%0.69432%0.321SS*.Hα-helixtrans-71.2-30.3177.6-67-174.467.1-171.21.9113.1H42 I43 L44 F48H42-R46 WeakPolarHBondContact O-CG 3.31Å; H42-R46 PolarHBondContact O-N 3.23Å; I43-R46 PolarHBondContact O-N 2.96Å; L44-R46 PolarHBondContact O-N 2.98Å; R46-F48 VanDerWaalsContact C-N 3.35Å
47A82.9Confident78.5Confident24 Ų2463.7 Ų63.720%0.19832%0.323CS..Hα-helixtrans-78-18-178.900000113.1R26 F28 I43 L44R26-A47 WeakPolarHBondContact CD-O 3.42Å; R26-A47 VanDerWaalsContact CZ-O 3.23Å; R26-A47 PolarHBondContact NE-O 2.82Å; R26-A47 PolarHBondContact NH1-O 3.18Å; F28-A47 HydrophobicContact CD1-CB 4.41Å; F28-A47 HydrophobicContact CE1-CB 4.29Å; I43-A47 WeakPolarHBondContact O-CA 3.46Å; I43-A47 WeakPolarHBondContact O-CB 3.27Å; I43-A47 PolarHBondContact O-N 2.77Å; L44-A47 PolarHBondContact O-N 3.38Å
48F81.1Confident78.6Confident8 Ų863.5 Ų63.54%0.03532%0.322CS..THydrogen-bonded Turntrans-123.518.7176.7-72.7-85000113.3V14 K16 E24 R26 L44 R46 F50 M96V14-F48 HydrophobicContact CB-CE2 3.92Å; V14-F48 HydrophobicContact CB-CZ 4.03Å; V14-F48 HydrophobicContact CG1-CE2 3.77Å; V14-F48 HydrophobicContact CG1-CZ 4.02Å; K16-F48 HydrophobicContact CB-CD1 4.31Å; K16-F48 HydrophobicContact CB-CE1 3.86Å; K16-F48 HydrophobicContact CB-CZ 4.24Å; K16-F48 HydrophobicContact CD-CD1 3.73Å; K16-F48 HydrophobicContact CD-CE1 4.1Å; K16-F48 HydrophobicContact CD-CG 4.37Å; E24-F48 HydrophobicContact CB-CE1 4.47Å; E24-F48 HydrophobicContact CG-CD1 4.42Å; E24-F48 HydrophobicContact CG-CE1 4.07Å; R26-F48 HydrophobicContact CB-CE1 4.05Å; R26-F48 HydrophobicContact CB-CE2 4.29Å; R26-F48 HydrophobicContact CB-CZ 3.75Å; R26-F48 HydrophobicContact CG-CD1 4.23Å; R26-F48 HydrophobicContact CG-CE1 3.68Å; R26-F48 HydrophobicContact CG-CZ 3.95Å; L44-F48 HydrophobicContact CD2-CE2 4.25Å; L44-F48 PolarHBondContact O-N 3.18Å; R46-F48 VanDerWaalsContact C-N 3.35Å; F48-F50 VanDerWaalsContact C-N 3.3Å; F48-F50 HydrophobicContact CB-CD2 3.72Å; F48-F50 HydrophobicContact CB-CE2 3.55Å; F48-F50 PolarHBondContact O-N 3.37Å; F48-M96 HydrophobicContact CD2-SD 3.88Å; F48-M96 HydrophobicContact CE2-SD 4.1Å; F48-M96 HydrophobicContact CG-SD 4.43Å
49D75.4Confident78.9Confident113 Ų11358.8 Ų58.860%0.60430%0.301SS*.THydrogen-bonded Turntrans60.231.5170.3-52.9-71.6000114.8R26 I45R26-D49 IonicContact CZ-OD2 2.73Å; R26-D49 IonicContact NH1-OD2 3.17Å; R26-D49 PolarHBondContact NH1-OD2 2.81Å; R26-D49 IonicContact NH2-OD2 3.15Å; R26-D49 PolarHBondContact NH2-OD2 3.46Å; I45-D49 PolarHBondContact O-N 2.9Å; I45-D49 VanDerWaalsContact O-N 3.12Å
50F70.8Confident79.1Confident50 Ų5056.5 Ų56.522%0.21929%0.286CS..  trans-74.3137.1174-73.8-89.9000111.2I45 F48 G52 M96 V98I45-F50 HydrophobicContact CB-CB 4.48Å; I45-F50 HydrophobicContact CG1-CB 4.47Å; I45-F50 HydrophobicContact CG2-CB 4.11Å; I45-F50 WeakPolarHBondContact CG2-O 3.03Å; I45-F50 PolarHBondContact O-N 3.02Å; F48-F50 VanDerWaalsContact C-N 3.3Å; F48-F50 HydrophobicContact CB-CD2 3.72Å; F48-F50 HydrophobicContact CB-CE2 3.55Å; F48-F50 PolarHBondContact O-N 3.37Å; F50-G52 PolarHBondContact O-N 2.89Å; F50-M96 HydrophobicContact CD2-CE 3.99Å; F50-M96 HydrophobicContact CE2-CE 3.39Å; F50-M96 HydrophobicContact CE2-SD 4.32Å; F50-M96 HydrophobicContact CZ-CE 3.96Å; F50-V98 HydrophobicContact CE1-CG1 4.06Å; F50-V98 HydrophobicContact CZ-CG1 4.2Å; F50-V98 HydrophobicContact CZ-CG2 3.82Å
51N62.9Low78.9Confident158 Ų15857.7 Ų57.785%0.84529%0.292SS*.  trans-71.553.2178.5-60.172.1000113.6K53N51-K53 PolarHBondContact O-N 3.47Å
52G59.8Low78.6Confident55 Ų5557 Ų5757%0.56729%0.292SS*.SBendtrans73.5-13.1178.800000116.2F50F50-G52 PolarHBondContact O-N 2.89Å
53K60.8Low78.4Confident81 Ų8159.1 Ų59.135%0.35230%0.296SS..  trans-67.6128.5179.7-64.6-169.5178.9-175.50111.9N51 N55 D103N51-K53 PolarHBondContact O-N 3.47Å; K53-N55 VanDerWaalsContact C-N 3.25Å; K53-N55 PolarHBondContact O-N 3.45Å; K53-D103 IonicContact NZ-OD1 2.7Å; K53-D103 PolarHBondContact NZ-OD1 3.49Å; K53-D103 IonicContact NZ-OD2 2.7Å; K53-D103 PolarHBondContact NZ-OD2 2.62Å
54R68.4Low77.4Confident130 Ų13061.4 Ų61.449%0.49131%0.308SS..  trans-8627.5176.2-58.8-167-175.9-161.115.7113.4E38 I45 F56E38-R54 IonicContact OE1-CZ 2.87Å; E38-R54 IonicContact OE1-NH1 2.73Å; E38-R54 PolarHBondContact OE1-NH1 2.73Å; E38-R54 IonicContact OE1-NH2 3.16Å; E38-R54 PolarHBondContact OE1-NH2 2.78Å; I45-R54 HydrophobicContact CD1-CG 3.99Å; R54-F56 PolarHBondContact O-N 2.82Å
55N69.9Low76.2Confident65 Ų6573 Ų7335%0.34835%0.352SS..  trans-82.651.3-166.6-63.234.4000113.1K53 K99K53-N55 VanDerWaalsContact C-N 3.25Å; K53-N55 PolarHBondContact O-N 3.45Å; N55-K99 PolarHBondContact O-N 2.96Å; N55-K99 VanDerWaalsContact O-N 3.12Å
56F83.6Confident75Confident20 Ų2075.9 Ų75.99%0.08837%0.373CS..EExtended strand (participates in β ladder)trans-147.6150.1179.657.1-90.7000110.9Q41 L44 I45 R54 V58 M96 D97Q41-F56 HydrophobicContact CB-CZ 4.38Å; Q41-F56 HydrophobicContact CG-CE2 4.36Å; Q41-F56 HydrophobicContact CG-CZ 4.44Å; L44-F56 HydrophobicContact CB-CE2 4.36Å; L44-F56 HydrophobicContact CB-CZ 4.25Å; L44-F56 HydrophobicContact CD1-CE2 4.04Å; I45-F56 HydrophobicContact CD1-CE1 4.09Å; I45-F56 HydrophobicContact CD1-CZ 4.29Å; I45-F56 HydrophobicContact CG1-CE1 3.6Å; I45-F56 HydrophobicContact CG1-CZ 3.89Å; R54-F56 PolarHBondContact O-N 2.82Å; F56-V58 HydrophobicContact CD2-CG2 3.75Å; F56-V58 HydrophobicContact CE2-CG2 3.69Å; F56-M96 HydrophobicContact CB-CE 4.05Å; F56-M96 HydrophobicContact CB-CG 4.19Å; F56-M96 HydrophobicContact CD1-CE 3.51Å; F56-M96 HydrophobicContact CD2-CE 3.59Å; F56-M96 HydrophobicContact CD2-CG 3.97Å; F56-M96 HydrophobicContact CE1-CE 3.77Å; F56-M96 HydrophobicContact CE2-CE 3.83Å; F56-M96 HydrophobicContact CG-CE 3.42Å; F56-M96 VanDerWaalsContact CG-CE 3.42Å; F56-M96 HydrophobicContact CG-CG 4.21Å; F56-M96 HydrophobicContact CZ-CE 3.92Å; F56-D97 CarbonylContact C-O 3.58Å; F56-D97 VanDerWaalsContact CA-O 3.29Å; F56-D97 WeakPolarHBondContact CA-O 3.26Å; F56-D97 WeakPolarHBondContact CB-O 3.46Å
57S84.3Confident74Confident48 Ų4872 Ų7234%0.33638%0.375SS..EExtended strand (participates in β ladder)trans-101140.4168.943.70000110.6D97S57-D97 PolarHBondContact N-O 3.26Å; S57-D97 PolarHBondContact O-N 2.85Å
58V88.9Confident73.2Confident10 Ų1075.3 Ų75.36%0.06139%0.392CS..EExtended strand (participates in β ladder)trans-107.6135.9175.9-174.60000109.3L44 F56 L74 L94 K95L44-V58 HydrophobicContact CD1-CG2 3.67Å; F56-V58 HydrophobicContact CD2-CG2 3.75Å; F56-V58 HydrophobicContact CE2-CG2 3.69Å; V58-L74 HydrophobicContact CG1-CB 4.48Å; V58-L74 HydrophobicContact CG1-CD1 4.35Å; V58-L74 PolarHBondContact O-N 3Å; V58-L94 HydrophobicContact CG1-CB 4.4Å; V58-L94 HydrophobicContact CG1-CD1 4.11Å; V58-L94 HydrophobicContact CG1-CD2 4.36Å; V58-K95 WeakPolarHBondContact CA-O 3.44Å
59S90Very high73Confident12 Ų1279.6 Ų79.68%0.08441%0.412CS..EExtended strand (participates in β ladder)trans-133.4138.8173.1-48.70000110.2L72 L94 K95S59-L72 CarbonylContact C-O 3.59Å; S59-L72 WeakPolarHBondContact CA-O 3.37Å; S59-L72 VanDerWaalsContact CB-O 3.26Å; S59-L72 WeakPolarHBondContact CB-O 3.34Å; S59-L94 CarbonylContact O-C 3.57Å; S59-L94 WeakPolarHBondContact O-CA 3.24Å; S59-K95 PolarHBondContact N-O 2.88Å; S59-K95 PolarHBondContact O-N 2.94Å
60Y89.4Confident73.1Confident12 Ų1280.1 Ų80.15%0.04741%0.412CS..EExtended strand (participates in β ladder)trans-98.5149.2175.869.1-84.1000111.7S62 Y71 L72 L74 D79 V82 A83Y60-S62 PolarHBondContact O-N 3.04Å; Y60-Y71 CarbonylContact O-C 3.48Å; Y60-Y71 VanDerWaalsContact O-CA 3.32Å; Y60-Y71 WeakPolarHBondContact O-CA 3.41Å; Y60-L72 HydrophobicContact CD1-CB 4.26Å; Y60-L72 WeakPolarHBondContact CD1-O 3.19Å; Y60-L72 HydrophobicContact CE1-CB 3.8Å; Y60-L72 HydrophobicContact CE2-CB 4.41Å; Y60-L72 HydrophobicContact CE2-CD1 4.23Å; Y60-L72 PolarHBondContact N-O 3.12Å; Y60-L72 PolarHBondContact O-N 2.78Å; Y60-L74 HydrophobicContact CD1-CB 4.16Å; Y60-L74 HydrophobicContact CD1-CD1 4.35Å; Y60-L74 HydrophobicContact CD1-CG 4.16Å; Y60-D79 HydrophobicContact CE1-CB 4.46Å; Y60-V82 WeakPolarHBondContact OH-CG1 3.48Å; Y60-A83 HydrophobicContact CD1-CB 3.79Å; Y60-A83 HydrophobicContact CD2-CB 3.62Å; Y60-A83 HydrophobicContact CE1-CB 4.18Å; Y60-A83 HydrophobicContact CE2-CB 4.02Å; Y60-A83 HydrophobicContact CG-CB 3.48Å; Y60-A83 VanDerWaalsContact CG-CB 3.48Å
61L84.9Confident73.7Confident27 Ų2781.6 Ų81.614%0.14142%0.417CS..EExtended strand (participates in β ladder)trans-81.4111.9175.7-172.164.2000110.5E69 Y71 Q93L61-E69 HydrophobicContact CD1-CB 3.87Å; L61-Y71 HydrophobicContact CB-CD1 4.25Å; L61-Y71 HydrophobicContact CB-CE1 3.92Å; L61-Y71 HydrophobicContact CD1-CD1 4.2Å; L61-Y71 HydrophobicContact CD1-CD2 4.08Å; L61-Y71 HydrophobicContact CD1-CE1 3.95Å; L61-Y71 HydrophobicContact CD1-CE2 3.82Å; L61-Y71 HydrophobicContact CD1-CG 4.27Å; L61-Y71 HydrophobicContact CG-CE1 4.48Å; L61-Q93 HydrophobicContact CB-CB 4.07Å; L61-Q93 HydrophobicContact CD2-CB 4.28Å; L61-Q93 PolarHBondContact N-O 2.84Å
62S80.6Confident74.7Confident27 Ų2777 Ų7719%0.18939%0.392CS..EExtended strand (participates in β ladder)trans-103.3160.6172.3-168.30000111.2Y60 M70Y60-S62 PolarHBondContact O-N 3.04Å; S62-M70 PolarHBondContact N-O 3.47Å; S62-M70 PolarHBondContact O-N 3.17Å
63R76.1Confident75.9Confident151 Ų15177.7 Ų77.757%0.5739%0.388SS*.EExtended strand (participates in β ladder)trans-131.5119.8174.9-70.6-177.5178.8158.9-2.1109.4E69R63-E69 HydrophobicContact CG-CG 4.19Å; R63-E69 IonicContact CZ-OE1 2.78Å; R63-E69 IonicContact NE-OE1 3.17Å; R63-E69 PolarHBondContact NE-OE1 2.89Å; R63-E69 IonicContact NH2-OE1 2.82Å; R63-E69 PolarHBondContact NH2-OE1 3.29Å
64D65.8Low77.1Confident101 Ų10174.2 Ų74.254%0.5437%0.374SS..  trans-77165.4173.6174.352.4000111.6S66 S67 V68D64-S66 PolarHBondContact O-N 2.93Å; D64-S66 VanDerWaalsContact O-N 3.13Å; D64-S66 VanDerWaalsContact OD2-CB 3.22Å; D64-S66 WeakPolarHBondContact OD2-CB 3.32Å; D64-S66 PolarHBondContact OD2-N 2.88Å; D64-S66 PolarHBondContact OD2-OG 2.7Å; D64-S67 WeakPolarHBondContact O-CA 3.4Å; D64-S67 PolarHBondContact O-N 2.94Å; D64-V68 PolarHBondContact N-O 2.78Å
65R61Low77.7Confident246 Ų24674.7 Ų74.793%0.92839%0.385SS*.THydrogen-bonded Turntrans-53.9-25.5172.2-62.7-178177.6-124.4-0.6113.3S67R65-S67 PolarHBondContact O-N 2.67Å
66S58Low78.5Confident72 Ų7273.8 Ų73.850%0.50338%0.384SS..THydrogen-bonded Turntrans-71-2.5170.958.90000115.1D64 V68D64-S66 PolarHBondContact O-N 2.93Å; D64-S66 VanDerWaalsContact O-N 3.13Å; D64-S66 VanDerWaalsContact OD2-CB 3.22Å; D64-S66 WeakPolarHBondContact OD2-CB 3.32Å; D64-S66 PolarHBondContact OD2-N 2.88Å; D64-S66 PolarHBondContact OD2-OG 2.7Å; S66-V68 PolarHBondContact O-N 2.7Å
67S58.7Low78.5Confident103 Ų10376.7 Ų76.772%0.7240%0.4SS*.  trans64.713.8-175.7-53.50000115.8D64 R65D64-S67 WeakPolarHBondContact O-CA 3.4Å; D64-S67 PolarHBondContact O-N 2.94Å; R65-S67 PolarHBondContact O-N 2.67Å
68V66.1Low78.5Confident92 Ų9283.8 Ų83.856%0.55842%0.42SS*.  trans-79.8133.1170.7-177.10000109.7D64 S66D64-V68 PolarHBondContact N-O 2.78Å; S66-V68 PolarHBondContact O-N 2.7Å
69E76.8Confident78.3Confident99 Ų9985.2 Ų85.246%0.46343%0.427SS..EExtended strand (participates in β ladder)trans-86.4128.6172.7-47.7-158.1129.200110.6L61 R63L61-E69 HydrophobicContact CD1-CB 3.87Å; R63-E69 HydrophobicContact CG-CG 4.19Å; R63-E69 IonicContact CZ-OE1 2.78Å; R63-E69 IonicContact NE-OE1 3.17Å; R63-E69 PolarHBondContact NE-OE1 2.89Å; R63-E69 IonicContact NH2-OE1 2.82Å; R63-E69 PolarHBondContact NH2-OE1 3.29Å
70M79.1Confident78.1Confident123 Ų12384.8 Ų84.861%0.60642%0.424SS*.EExtended strand (participates in β ladder)trans-135.1138.6179.8-171.9172.1-177.300110.5S62 L72S62-M70 PolarHBondContact N-O 3.47Å; S62-M70 PolarHBondContact O-N 3.17Å; M70-L72 HydrophobicContact CG-CD2 4.35Å; M70-L72 HydrophobicContact SD-CD2 4.31Å
71Y83.4Confident77.8Confident81 Ų8188.1 Ų88.132%0.31844%0.442SS..EExtended strand (participates in β ladder)trans-84.7126.5170.6-71.1-85.6000109.9Y60 L61 Q93 K95Y60-Y71 CarbonylContact O-C 3.48Å; Y60-Y71 VanDerWaalsContact O-CA 3.32Å; Y60-Y71 WeakPolarHBondContact O-CA 3.41Å; L61-Y71 HydrophobicContact CB-CD1 4.25Å; L61-Y71 HydrophobicContact CB-CE1 3.92Å; L61-Y71 HydrophobicContact CD1-CD1 4.2Å; L61-Y71 HydrophobicContact CD1-CD2 4.08Å; L61-Y71 HydrophobicContact CD1-CE1 3.95Å; L61-Y71 HydrophobicContact CD1-CE2 3.82Å; L61-Y71 HydrophobicContact CD1-CG 4.27Å; L61-Y71 HydrophobicContact CG-CE1 4.48Å; Y71-Q93 PolarHBondContact OH-NE2 2.9Å; Y71-K95 HydrophobicContact CD1-CB 3.69Å; Y71-K95 HydrophobicContact CD1-CD 4.29Å; Y71-K95 HydrophobicContact CD2-CD 4.35Å; Y71-K95 HydrophobicContact CE1-CB 3.6Å; Y71-K95 HydrophobicContact CE1-CD 4.3Å; Y71-K95 HydrophobicContact CE2-CD 4.36Å; Y71-K95 HydrophobicContact CG-CB 4.47Å; Y71-K95 HydrophobicContact CG-CD 4.31Å
72L83.4Confident77.8Confident62 Ų6289.4 Ų89.433%0.32545%0.451SS..EExtended strand (participates in β ladder)trans-109.2134.1175.3-60.8179.7000109.3S59 Y60 M70S59-L72 CarbonylContact C-O 3.59Å; S59-L72 WeakPolarHBondContact CA-O 3.37Å; S59-L72 VanDerWaalsContact CB-O 3.26Å; S59-L72 WeakPolarHBondContact CB-O 3.34Å; Y60-L72 HydrophobicContact CD1-CB 4.26Å; Y60-L72 WeakPolarHBondContact CD1-O 3.19Å; Y60-L72 HydrophobicContact CE1-CB 3.8Å; Y60-L72 HydrophobicContact CE2-CB 4.41Å; Y60-L72 HydrophobicContact CE2-CD1 4.23Å; Y60-L72 PolarHBondContact N-O 3.12Å; Y60-L72 PolarHBondContact O-N 2.78Å; M70-L72 HydrophobicContact CG-CD2 4.35Å; M70-L72 HydrophobicContact SD-CD2 4.31Å
73S85.3Confident78.1Confident70 Ų7088.1 Ų88.149%0.4944%0.442SS..EExtended strand (participates in β ladder)trans-61.6140.2176-63.50000110.9
74L86.3Confident78.5Confident8 Ų881.3 Ų81.34%0.04242%0.417CS..  trans-10999.4-178.2-158176.9000107.5L37 V58 Y60 D79 L80 A83 L94L37-L74 HydrophobicContact CD1-CD2 3.53Å; L37-L74 HydrophobicContact CD2-CD2 3.75Å; L37-L74 HydrophobicContact CG-CD2 4.16Å; V58-L74 HydrophobicContact CG1-CB 4.48Å; V58-L74 HydrophobicContact CG1-CD1 4.35Å; V58-L74 PolarHBondContact O-N 3Å; Y60-L74 HydrophobicContact CD1-CB 4.16Å; Y60-L74 HydrophobicContact CD1-CD1 4.35Å; Y60-L74 HydrophobicContact CD1-CG 4.16Å; L74-D79 HydrophobicContact CD2-CB 4.1Å; L74-D79 HydrophobicContact CG-CB 4.12Å; L74-L80 HydrophobicContact CD1-CD1 3.99Å; L74-L80 HydrophobicContact CD2-CB 4.04Å; L74-A83 HydrophobicContact CD1-CB 4.49Å; L74-L94 HydrophobicContact CD1-CD2 4.39Å
75L80.4Confident79.1Confident140 Ų14083 Ų8373%0.73342%0.423SS*.  trans-111.9-21.1-166.5-58.3179000113.3D79L75-D79 PolarHBondContact N-OD2 3.07Å; L75-D79 VanDerWaalsContact N-OD2 3.08Å
76S86.4Confident79.7Confident46 Ų4673.8 Ų73.832%0.32240%0.396SS..SBendtrans-139.1166.4-177.465.80000112W78 D79 L80S76-W78 PolarHBondContact O-N 2.88Å; S76-W78 PolarHBondContact OG-N 2.84Å; S76-D79 WeakPolarHBondContact CB-OD2 3.39Å; S76-D79 PolarHBondContact N-OD2 3.17Å; S76-D79 WeakPolarHBondContact O-CB 3.27Å; S76-D79 PolarHBondContact O-N 3.37Å; S76-D79 VanDerWaalsContact O-N 3.16Å; S76-D79 VanDerWaalsContact OG-CG 3.24Å; S76-D79 PolarHBondContact OG-N 2.68Å; S76-D79 PolarHBondContact OG-OD2 3.19Å; S76-L80 PolarHBondContact O-N 2.96Å
77D83.6Confident80.3Confident80 Ų8071.2 Ų71.243%0.42838%0.379SS..Hα-helixtrans-61.3-31.4170.8-66.2-53.3000112.1S36 L37 D79 L80 D81S36-D77 WeakPolarHBondContact CA-OD1 3.5Å; S36-D77 VanDerWaalsContact CB-OD1 3.27Å; S36-D77 WeakPolarHBondContact CB-OD1 3.48Å; L37-D77 WeakPolarHBondContact CB-OD1 3.47Å; L37-D77 PolarHBondContact N-OD1 3.01Å; D77-D79 VanDerWaalsContact C-N 3.34Å; D77-D79 PolarHBondContact O-N 3.16Å; D77-L80 WeakPolarHBondContact O-CA 3.39Å; D77-L80 VanDerWaalsContact O-CB 3.31Å; D77-L80 WeakPolarHBondContact O-CB 3.26Å; D77-L80 PolarHBondContact O-N 3.06Å; D77-D81 PolarHBondContact O-N 3.18Å
78W84.9Confident80.3Confident197 Ų19768.8 Ų68.875%0.74637%0.366SS*.Hα-helixtrans-63.5-38.5173.7-174.5-94.2000112.4S76 L80 D81 V82S76-W78 PolarHBondContact O-N 2.88Å; S76-W78 PolarHBondContact OG-N 2.84Å; W78-L80 VanDerWaalsContact C-N 3.28Å; W78-L80 PolarHBondContact O-N 2.67Å; W78-D81 PolarHBondContact O-N 3.36Å; W78-V82 VanDerWaalsContact O-CG2 3.31Å; W78-V82 WeakPolarHBondContact O-CG2 3.25Å; W78-V82 PolarHBondContact O-N 3.38Å
79D84.8Confident79.8Confident41 Ų4172.3 Ų72.322%0.21937%0.374CS..Hα-helixtrans-67.3-31.3172.5-56.4-57.8000111.8Y60 L74 L75 S76 D77 A83Y60-D79 HydrophobicContact CE1-CB 4.46Å; L74-D79 HydrophobicContact CD2-CB 4.1Å; L74-D79 HydrophobicContact CG-CB 4.12Å; L75-D79 PolarHBondContact N-OD2 3.07Å; L75-D79 VanDerWaalsContact N-OD2 3.08Å; S76-D79 WeakPolarHBondContact CB-OD2 3.39Å; S76-D79 PolarHBondContact N-OD2 3.17Å; S76-D79 WeakPolarHBondContact O-CB 3.27Å; S76-D79 PolarHBondContact O-N 3.37Å; S76-D79 VanDerWaalsContact O-N 3.16Å; S76-D79 VanDerWaalsContact OG-CG 3.24Å; S76-D79 PolarHBondContact OG-N 2.68Å; S76-D79 PolarHBondContact OG-OD2 3.19Å; D77-D79 VanDerWaalsContact C-N 3.34Å; D77-D79 PolarHBondContact O-N 3.16Å; D79-A83 VanDerWaalsContact O-CB 3.26Å; D79-A83 WeakPolarHBondContact O-CB 3.31Å; D79-A83 PolarHBondContact O-N 2.69Å
80L86.1Confident78.9Confident2 Ų271.6 Ų71.61%0.0138%0.377CS..Hα-helixtrans-69.6-43.5175.9-176.454.4000111.7T35 L37 L40 L74 S76 D77 W78 A83 F84T35-L80 WeakPolarHBondContact O-CD2 3.28Å; L37-L80 HydrophobicContact CB-CD2 4.37Å; L40-L80 HydrophobicContact CD2-CD1 3.65Å; L40-L80 HydrophobicContact CD2-CD2 4.32Å; L74-L80 HydrophobicContact CD1-CD1 3.99Å; L74-L80 HydrophobicContact CD2-CB 4.04Å; S76-L80 PolarHBondContact O-N 2.96Å; D77-L80 WeakPolarHBondContact O-CA 3.39Å; D77-L80 VanDerWaalsContact O-CB 3.31Å; D77-L80 WeakPolarHBondContact O-CB 3.26Å; D77-L80 PolarHBondContact O-N 3.06Å; W78-L80 VanDerWaalsContact C-N 3.28Å; W78-L80 PolarHBondContact O-N 2.67Å; L80-A83 CarbonylContact O-C 3.59Å; L80-A83 WeakPolarHBondContact O-CB 3.4Å; L80-A83 PolarHBondContact O-N 2.66Å; L80-F84 HydrophobicContact CD1-CD2 4.07Å; L80-F84 HydrophobicContact CD1-CE1 4.44Å; L80-F84 HydrophobicContact CD1-CE2 3.63Å; L80-F84 HydrophobicContact CD1-CZ 3.83Å; L80-F84 HydrophobicContact CD2-CE2 4Å; L80-F84 HydrophobicContact CG-CD2 3.91Å; L80-F84 HydrophobicContact CG-CE2 3.52Å; L80-F84 HydrophobicContact CG-CZ 4.2Å; L80-F84 WeakPolarHBondContact O-CD2 3.45Å; L80-F84 PolarHBondContact O-N 2.86Å
81D82.7Confident78.6Confident82 Ų8269.7 Ų69.744%0.43937%0.366SS..Hα-helixtrans-61.8-46173.9-76.5-29.9000111.1D77 W78 A83 F84 M85D77-D81 PolarHBondContact O-N 3.18Å; W78-D81 PolarHBondContact O-N 3.36Å; D81-A83 VanDerWaalsContact C-N 3.28Å; D81-A83 PolarHBondContact O-N 2.75Å; D81-F84 PolarHBondContact O-N 2.98Å; D81-M85 WeakPolarHBondContact O-CB 3.5Å; D81-M85 VanDerWaalsContact O-CG 3.27Å; D81-M85 WeakPolarHBondContact O-CG 3.37Å; D81-M85 PolarHBondContact O-N 2.95Å
82V84.4Confident78.6Confident54 Ų5465.9 Ų65.933%0.32735%0.351SS..Hα-helixtrans-60.9-37.8173.8173.60000111.2Y60 W78 M85 S86Y60-V82 WeakPolarHBondContact OH-CG1 3.48Å; W78-V82 VanDerWaalsContact O-CG2 3.31Å; W78-V82 WeakPolarHBondContact O-CG2 3.25Å; W78-V82 PolarHBondContact O-N 3.38Å; V82-M85 PolarHBondContact O-N 3.43Å; V82-S86 VanDerWaalsContact O-CB 3.25Å; V82-S86 WeakPolarHBondContact O-CB 3.43Å; V82-S86 PolarHBondContact O-N 3.04Å; V82-S86 PolarHBondContact O-OG 2.87Å
83A86.4Confident78.7Confident0 Ų064.3 Ų64.30%034%0.342CS..Hα-helixtrans-64.8-43.2173.600000112.4Y60 L74 D79 L80 D81 S86 A87 L92Y60-A83 HydrophobicContact CD1-CB 3.79Å; Y60-A83 HydrophobicContact CD2-CB 3.62Å; Y60-A83 HydrophobicContact CE1-CB 4.18Å; Y60-A83 HydrophobicContact CE2-CB 4.02Å; Y60-A83 HydrophobicContact CG-CB 3.48Å; Y60-A83 VanDerWaalsContact CG-CB 3.48Å; L74-A83 HydrophobicContact CD1-CB 4.49Å; D79-A83 VanDerWaalsContact O-CB 3.26Å; D79-A83 WeakPolarHBondContact O-CB 3.31Å; D79-A83 PolarHBondContact O-N 2.69Å; L80-A83 CarbonylContact O-C 3.59Å; L80-A83 WeakPolarHBondContact O-CB 3.4Å; L80-A83 PolarHBondContact O-N 2.66Å; D81-A83 VanDerWaalsContact C-N 3.28Å; D81-A83 PolarHBondContact O-N 2.75Å; A83-S86 PolarHBondContact O-OG 2.84Å; A83-A87 WeakPolarHBondContact O-CB 3.42Å; A83-A87 PolarHBondContact O-N 3.06Å; A83-L92 HydrophobicContact CB-CD1 4.22Å; A83-L92 HydrophobicContact CB-CD2 4.35Å
84F85.1Confident78.9Confident8 Ų861 Ų614%0.03532%0.319CS..Hα-helixtrans-67.3-36.8175.3-74.3-48.5000112.6R7 V10 V30 P32 L80 D81 L92R7-F84 PolarHBondContact NH1-O 2.9Å; V10-F84 HydrophobicContact CB-CD1 4.3Å; V10-F84 HydrophobicContact CB-CE1 4.34Å; V10-F84 HydrophobicContact CG1-CD1 4.15Å; V10-F84 HydrophobicContact CG1-CE1 4.36Å; V10-F84 HydrophobicContact CG2-CD1 4.33Å; V30-F84 HydrophobicContact CG1-CE1 4.28Å; V30-F84 HydrophobicContact CG1-CZ 3.82Å; P32-F84 HydrophobicContact CB-CD2 3.86Å; P32-F84 HydrophobicContact CB-CE2 4.02Å; P32-F84 HydrophobicContact CB-CG 4.16Å; P32-F84 HydrophobicContact CB-CZ 4.48Å; P32-F84 HydrophobicContact CG-CD1 4.23Å; P32-F84 HydrophobicContact CG-CD2 4.38Å; P32-F84 HydrophobicContact CG-CE1 4.4Å; P32-F84 HydrophobicContact CG-CG 4.24Å; L80-F84 HydrophobicContact CD1-CD2 4.07Å; L80-F84 HydrophobicContact CD1-CE1 4.44Å; L80-F84 HydrophobicContact CD1-CE2 3.63Å; L80-F84 HydrophobicContact CD1-CZ 3.83Å; L80-F84 HydrophobicContact CD2-CE2 4Å; L80-F84 HydrophobicContact CG-CD2 3.91Å; L80-F84 HydrophobicContact CG-CE2 3.52Å; L80-F84 HydrophobicContact CG-CZ 4.2Å; L80-F84 WeakPolarHBondContact O-CD2 3.45Å; L80-F84 PolarHBondContact O-N 2.86Å; D81-F84 PolarHBondContact O-N 2.98Å; F84-L92 HydrophobicContact CD1-CD2 3.84Å; F84-L92 HydrophobicContact CE1-CD2 3.96Å
85M78.8Confident78.9Confident137 Ų13763.2 Ų63.268%0.67533%0.328SS*.Hα-helixtrans-66.5-48.2175.7-72.8179.577.800111.5R7 D81 V82R7-M85 PolarHBondContact NH1-O 2.75Å; D81-M85 WeakPolarHBondContact O-CB 3.5Å; D81-M85 VanDerWaalsContact O-CG 3.27Å; D81-M85 WeakPolarHBondContact O-CG 3.37Å; D81-M85 PolarHBondContact O-N 2.95Å; V82-M85 PolarHBondContact O-N 3.43Å
86S72.9Confident79.2Confident52 Ų5256.6 Ų56.636%0.36429%0.293SS..Hα-helixtrans-78.1-11.9-177.662.10000114.9V82 A83 A88V82-S86 VanDerWaalsContact O-CB 3.25Å; V82-S86 WeakPolarHBondContact O-CB 3.43Å; V82-S86 PolarHBondContact O-N 3.04Å; V82-S86 PolarHBondContact O-OG 2.87Å; A83-S86 PolarHBondContact O-OG 2.84Å; S86-A88 PolarHBondContact O-N 2.94Å
87A70.9Confident79Confident18 Ų1856.4 Ų56.415%0.14929%0.289CS..  trans-53.8104.517800000112.9A83 K89 L92A83-A87 WeakPolarHBondContact O-CB 3.42Å; A83-A87 PolarHBondContact O-N 3.06Å; A87-K89 PolarHBondContact O-N 3.25Å; A87-L92 HydrophobicContact CB-CB 3.94Å; A87-L92 HydrophobicContact CB-CD1 4.2Å
88A58.3Low78.6Confident52 Ų5253.8 Ų53.843%0.4328%0.276SS..  trans-65.3118.4173.300000110.3S86 F91S86-A88 PolarHBondContact O-N 2.94Å; A88-F91 PolarHBondContact O-N 2.95Å
89K55Low77.8Confident167 Ų16750.6 Ų50.673%0.72627%0.267SS*.THydrogen-bonded Turntrans-51.7129.6176.5-64.6177.1-178.2175.20108.6E5 A87E5-K89 IonicContact OE2-NZ 2.83Å; A87-K89 PolarHBondContact O-N 3.25Å
90P59.1Low76.4Confident84 Ų8453.8 Ų53.855%0.54529%0.29SS..THydrogen-bonded Turncis-112.7927.738.5-29.3000117
91F72.6Confident74.2Confident82 Ų8257.7 Ų57.736%0.3632%0.318SS..  trans-154.9145.5175.553.5-96.8000113.5R11 K13 A88 Q93R11-F91 HydrophobicContact CB-CB 4.39Å; R11-F91 CarbonylContact O-C 3.55Å; R11-F91 WeakPolarHBondContact O-CA 3.37Å; R11-F91 WeakPolarHBondContact O-CB 3.31Å; K13-F91 HydrophobicContact CB-CD2 3.91Å; K13-F91 HydrophobicContact CB-CE2 4.48Å; K13-F91 HydrophobicContact CB-CG 4.28Å; K13-F91 HydrophobicContact CD-CD2 4.5Å; K13-F91 HydrophobicContact CD-CE2 4.34Å; A88-F91 PolarHBondContact O-N 2.95Å; F91-Q93 HydrophobicContact CD2-CB 4.22Å; F91-Q93 HydrophobicContact CE2-CB 4.18Å
92L84.1Confident72.2Confident2 Ų260.4 Ų60.41%0.0133%0.327CS..EExtended strand (participates in β ladder)trans-72.6121.5163.517355.6000108.8V10 R11 V12 K13 A83 F84 A87 L94V10-L92 HydrophobicContact CG1-CB 4.21Å; R11-L92 PolarHBondContact O-N 2.95Å; V12-L92 WeakPolarHBondContact CA-O 3.25Å; V12-L92 HydrophobicContact CG2-CB 4.39Å; V12-L92 HydrophobicContact CG2-CD2 4.37Å; K13-L92 PolarHBondContact N-O 2.83Å; A83-L92 HydrophobicContact CB-CD1 4.22Å; A83-L92 HydrophobicContact CB-CD2 4.35Å; F84-L92 HydrophobicContact CD1-CD2 3.84Å; F84-L92 HydrophobicContact CE1-CD2 3.96Å; A87-L92 HydrophobicContact CB-CB 3.94Å; A87-L92 HydrophobicContact CB-CD1 4.2Å; L92-L94 HydrophobicContact CD1-CD2 4.17Å; L92-L94 HydrophobicContact CD2-CD2 4.2Å; L92-L94 HydrophobicContact CG-CD2 4Å; L92-L94 HydrophobicContact CG-CG 4.32Å
93Q84.8Confident69.9Low29 Ų2963 Ų6314%0.13634%0.34CS..EExtended strand (participates in β ladder)trans-96.3119.3176.3-172.5167.1-77.100110.7K13 L61 Y71 F91K13-Q93 WeakPolarHBondContact O-CA 3.25Å; L61-Q93 HydrophobicContact CB-CB 4.07Å; L61-Q93 HydrophobicContact CD2-CB 4.28Å; L61-Q93 PolarHBondContact N-O 2.84Å; Y71-Q93 PolarHBondContact OH-NE2 2.9Å; F91-Q93 HydrophobicContact CD2-CB 4.22Å; F91-Q93 HydrophobicContact CE2-CB 4.18Å
94L88.6Confident67.2Low0 Ų065.7 Ų65.70%036%0.359CS..EExtended strand (participates in β ladder)trans-107.9145.7173.9-58.2-177.8000110.8V12 K13 V14 K15 L40 V58 S59 L74 L92V12-L94 HydrophobicContact CG1-CD1 3.54Å; V12-L94 HydrophobicContact CG1-CG 3.85Å; K13-L94 PolarHBondContact O-N 3.28Å; V14-L94 WeakPolarHBondContact CA-O 3.46Å; V14-L94 HydrophobicContact CG1-CB 4.4Å; V14-L94 HydrophobicContact CG2-CB 4.3Å; V14-L94 HydrophobicContact CG2-CD1 4.43Å; K15-L94 PolarHBondContact N-O 2.8Å; L40-L94 HydrophobicContact CD2-CD1 4.11Å; V58-L94 HydrophobicContact CG1-CB 4.4Å; V58-L94 HydrophobicContact CG1-CD1 4.11Å; V58-L94 HydrophobicContact CG1-CD2 4.36Å; S59-L94 CarbonylContact O-C 3.57Å; S59-L94 WeakPolarHBondContact O-CA 3.24Å; L74-L94 HydrophobicContact CD1-CD2 4.39Å; L92-L94 HydrophobicContact CD1-CD2 4.17Å; L92-L94 HydrophobicContact CD2-CD2 4.2Å; L92-L94 HydrophobicContact CG-CD2 4Å; L92-L94 HydrophobicContact CG-CG 4.32Å
95K87Confident64.7Low55 Ų5570.3 Ų70.324%0.23939%0.389CS..EExtended strand (participates in β ladder)trans-108.4130.1165.5-177.5167.1178.2-87.60107.7V58 S59 Y71 D97V58-K95 WeakPolarHBondContact CA-O 3.44Å; S59-K95 PolarHBondContact N-O 2.88Å; S59-K95 PolarHBondContact O-N 2.94Å; Y71-K95 HydrophobicContact CD1-CB 3.69Å; Y71-K95 HydrophobicContact CD1-CD 4.29Å; Y71-K95 HydrophobicContact CD2-CD 4.35Å; Y71-K95 HydrophobicContact CE1-CB 3.6Å; Y71-K95 HydrophobicContact CE1-CD 4.3Å; Y71-K95 HydrophobicContact CE2-CD 4.36Å; Y71-K95 HydrophobicContact CG-CB 4.47Å; Y71-K95 HydrophobicContact CG-CD 4.31Å; K95-D97 WeakPolarHBondContact CE-OD1 3.29Å; K95-D97 IonicContact NZ-OD1 3.26Å; K95-D97 PolarHBondContact NZ-OD1 2.94Å; K95-D97 IonicContact NZ-OD2 2.69Å; K95-D97 PolarHBondContact NZ-OD2 2.84Å
96M86.8Confident62.3Low0 Ų068.4 Ų68.40%039%0.385CS..EExtended strand (participates in β ladder)trans-115.4100.1178.1179.5-174.4-167.600106.4V14 K15 K16 C17 L44 F48 F50 F56V14-M96 HydrophobicContact CG1-CB 3.82Å; K15-M96 PolarHBondContact O-N 2.89Å; K16-M96 WeakPolarHBondContact CA-O 3.21Å; C17-M96 PolarHBondContact N-O 2.77Å; L44-M96 HydrophobicContact CB-CE 4.36Å; L44-M96 HydrophobicContact CD2-SD 4.49Å; F48-M96 HydrophobicContact CD2-SD 3.88Å; F48-M96 HydrophobicContact CE2-SD 4.1Å; F48-M96 HydrophobicContact CG-SD 4.43Å; F50-M96 HydrophobicContact CD2-CE 3.99Å; F50-M96 HydrophobicContact CE2-CE 3.39Å; F50-M96 HydrophobicContact CE2-SD 4.32Å; F50-M96 HydrophobicContact CZ-CE 3.96Å; F56-M96 HydrophobicContact CB-CE 4.05Å; F56-M96 HydrophobicContact CB-CG 4.19Å; F56-M96 HydrophobicContact CD1-CE 3.51Å; F56-M96 HydrophobicContact CD2-CE 3.59Å; F56-M96 HydrophobicContact CD2-CG 3.97Å; F56-M96 HydrophobicContact CE1-CE 3.77Å; F56-M96 HydrophobicContact CE2-CE 3.83Å; F56-M96 HydrophobicContact CG-CE 3.42Å; F56-M96 VanDerWaalsContact CG-CE 3.42Å; F56-M96 HydrophobicContact CG-CG 4.21Å; F56-M96 HydrophobicContact CZ-CE 3.92Å
97D82.1Confident60.4Low42 Ų4270.6 Ų70.623%0.22539%0.391CS..EExtended strand (participates in β ladder)trans-86.5110.9174.1-69.2-69.5000108.2C17 F56 S57 K95 K99C17-D97 WeakPolarHBondContact CB-OD1 3.29Å; F56-D97 CarbonylContact C-O 3.58Å; F56-D97 VanDerWaalsContact CA-O 3.29Å; F56-D97 WeakPolarHBondContact CA-O 3.26Å; F56-D97 WeakPolarHBondContact CB-O 3.46Å; S57-D97 PolarHBondContact N-O 3.26Å; S57-D97 PolarHBondContact O-N 2.85Å; K95-D97 WeakPolarHBondContact CE-OD1 3.29Å; K95-D97 IonicContact NZ-OD1 3.26Å; K95-D97 PolarHBondContact NZ-OD1 2.94Å; K95-D97 IonicContact NZ-OD2 2.69Å; K95-D97 PolarHBondContact NZ-OD2 2.84Å; D97-K99 PolarHBondContact O-N 3.44Å
98V76.2Confident58.6Low26 Ų2678.3 Ų78.316%0.15842%0.424CS..EExtended strand (participates in β ladder)trans-74.6118.1175.1-173.20000106.9K16 C17 F50K16-V98 HydrophobicContact CD-CG2 4.38Å; K16-V98 HydrophobicContact CG-CG2 3.83Å; C17-V98 PolarHBondContact O-N 2.71Å; F50-V98 HydrophobicContact CE1-CG1 4.06Å; F50-V98 HydrophobicContact CZ-CG1 4.2Å; F50-V98 HydrophobicContact CZ-CG2 3.82Å
99K68.2Low57.2Low130 Ų13083 Ų8357%0.56544%0.442SS*.PPolyproline II helixtrans-68.4127168.9-69.3-171.8175.3-172.70106.6N55 D97 S101N55-K99 PolarHBondContact O-N 2.96Å; N55-K99 VanDerWaalsContact O-N 3.12Å; D97-K99 PolarHBondContact O-N 3.44Å; K99-S101 PolarHBondContact O-N 2.9Å
100P54.4Low56.3Low108 Ų10880.7 Ų80.770%0.70143%0.429SS*.PPolyproline II helixtrans-54.8130173.424.9-33.3000107.8E102P100-E102 PolarHBondContact O-N 3.32Å
101S39.9Very low55Low84 Ų8483.5 Ų83.559%0.58744%0.439SS*.  trans-67.8106.8-159.855.90000112.2K99 D103K99-S101 PolarHBondContact O-N 2.9Å; S101-D103 PolarHBondContact O-N 3.08Å
102E41.1Very low53Low138 Ų13886.4 Ų86.465%0.64546%0.457SS*.  trans-70.567.5166.8-65.4-176.1143.600110.7P100 S104P100-E102 PolarHBondContact O-N 3.32Å; E102-S104 PolarHBondContact O-N 2.86Å
103D34.9Very low50.5Low109 Ų10990.3 Ų90.358%0.58348%0.477SS*.  trans-7658.3158.3-81.49000108.8K53 S101K53-D103 IonicContact NZ-OD1 2.7Å; K53-D103 PolarHBondContact NZ-OD1 3.49Å; K53-D103 IonicContact NZ-OD2 2.7Å; K53-D103 PolarHBondContact NZ-OD2 2.62Å; S101-D103 PolarHBondContact O-N 3.08Å
104S31.2Very low47.9Very low57 Ų5790.3 Ų90.340%0.39948%0.48SS..SBendtrans-157124.5172.7-167.70000106.7E102 V106E102-S104 PolarHBondContact O-N 2.86Å; S104-V106 PolarHBondContact O-N 3.13Å
105P31.3Very low45.3Very low104 Ų10493.9 Ų93.968%0.67550%0.503SS*.  trans-72.892.3-179.729.8-33.9000110.1M107P105-M107 PolarHBondContact O-N 3.37Å
106V28.3Very low42.7Very low98 Ų9899.5 Ų99.559%0.59453%0.528SS*.  trans-65.1105.9149-174.70000104.2S104S104-V106 PolarHBondContact O-N 3.13Å
107M33Very low40.3Very low97 Ų97101.7 Ų101.748%0.47854%0.539SS..  64.750.353.1-155.2-171.9-62.500111.9P105 W110P105-M107 PolarHBondContact O-N 3.37Å; M107-W110 HydrophobicContact CG-CB 4.06Å; M107-W110 HydrophobicContact SD-CB 4.39Å
108E34.2Very low38.4Very low180 Ų180103.2 Ų103.284%0.84155%0.55SS*.SBendtrans-75143150.6-65.8177.7140.700108.4W110E108-W110 PolarHBondContact O-N 2.93Å
109D29Very low36.5Very low152 Ų152106.5 Ų106.581%0.81357%0.566SS**SBendtrans57.835.7176.3-65.2-3.6000118.7
110W35.3Very low34.5Very low118 Ų118103.9 Ų103.945%0.44758%0.575SS.*  trans-129.431.9157.8-78100.8000115.1M107 E108 Q306M107-W110 HydrophobicContact CG-CB 4.06Å; M107-W110 HydrophobicContact SD-CB 4.39Å; E108-W110 PolarHBondContact O-N 2.93Å; W110-Q306 HydrophobicContact CH2-CG 4.46Å
111D32.5Very low33.3Very low142 Ų142104.4 Ų104.476%0.75958%0.582SS**  trans-90.4132164.4-100.7-41.4000111.5
112I30.8Very low32.7Very low143 Ų143109 Ų10973%0.73359%0.594SS**  trans64.387.4168.3-46.8166.3000115.4S114I112-S114 PolarHBondContact O-N 3.2Å
113I31.1Very low32.2Very low85 Ų85110.4 Ų110.444%0.43661%0.605SS.*  trans-72.6112.1134.4-62.9178.4000105.9V118I113-V118 HydrophobicContact CG2-CG2 3.89Å
114S29.5Very low31.9Very low28 Ų28112.8 Ų112.820%0.19662%0.616CS.*  trans-71.2136.6178172.40000109.6I112 K116 D117I112-S114 PolarHBondContact O-N 3.2Å; S114-K116 PolarHBondContact O-N 3.04Å; S114-K116 PolarHBondContact OG-N 2.6Å; S114-D117 WeakPolarHBondContact CB-OD2 3.26Å; S114-D117 WeakPolarHBondContact O-CB 3.09Å; S114-D117 PolarHBondContact O-N 3.06Å
115P34.3Very low31.6Very low75 Ų75118.3 Ų118.349%0.48764%0.641SS.*G310 helixtrans-55.7-21.3172.4-27.735.8000113.9D117 I119P115-D117 VanDerWaalsContact C-N 3.3Å; P115-I119 WeakPolarHBondContact O-CG1 3.32Å; P115-I119 PolarHBondContact O-N 3.5Å
116K33.3Very low31.4Very low174 Ų174116.3 Ų116.376%0.75764%0.639SS**G310 helixtrans-75.2-16.1175.8-57.1-178.8-179.7178.30113.9S114S114-K116 PolarHBondContact O-N 3.04Å; S114-K116 PolarHBondContact OG-N 2.6Å
117D36Very low31.3Very low45 Ų45120.4 Ų120.424%0.24165%0.652CS.*G310 helixtrans-92.7-4.8-175.4-62.3-13.4000112.6S114 P115 P458S114-D117 WeakPolarHBondContact CB-OD2 3.26Å; S114-D117 WeakPolarHBondContact O-CB 3.09Å; S114-D117 PolarHBondContact O-N 3.06Å; P115-D117 VanDerWaalsContact C-N 3.3Å; D117-P458 HydrophobicContact CB-CG 4.38Å
118V41.4Very low31.1Very low74 Ų74127.3 Ų127.345%0.44867%0.672SS.*THydrogen-bonded Turntrans-122.2-29.6179-1730000112.2I113 G120I113-V118 HydrophobicContact CG2-CG2 3.89Å; V118-G120 PolarHBondContact O-N 3.26Å
119I36.3Very low30.7Very low96 Ų96126 Ų12649%0.49268%0.677SS.*  trans-90.687.3179.8-54.9176000110.6P115 S121P115-I119 WeakPolarHBondContact O-CG1 3.32Å; P115-I119 PolarHBondContact O-N 3.5Å; I119-S121 PolarHBondContact O-N 3.47Å; I119-S121 PolarHBondContact O-OG 2.75Å
120G27.8Very low30.6Very low74 Ų74128.5 Ų128.576%0.76368%0.68SS**  trans-54.7119.6159.900000109.8V118 E122V118-G120 PolarHBondContact O-N 3.26Å; G120-E122 PolarHBondContact O-N 2.67Å
121S29.1Very low30.2Very low120 Ų120128.4 Ų128.484%0.83970%0.698SS**  trans-85.499.7-165-69.40000113.4I119I119-S121 PolarHBondContact O-N 3.47Å; I119-S121 PolarHBondContact O-OG 2.75Å
122E27.1Very low29.9Very low181 Ų181130 Ų13085%0.84671%0.706SS**  trans-134.553.7163-159.5166.6-135.600112.9G120 L124G120-E122 PolarHBondContact O-N 2.67Å; E122-L124 PolarHBondContact O-N 3.04Å; E122-L124 VanDerWaalsContact O-N 3.16Å
123L30.8Very low29.8Very low167 Ų167128.2 Ų128.287%0.87471%0.712SS**  trans-8656.5170.6-154.6164.5000110.9
124L27.6Very low29.7Very low158 Ų158129.8 Ų129.883%0.82773%0.73SS**  trans-154.168.2170.4-85-167.7000113.7E122E122-L124 PolarHBondContact O-N 3.04Å; E122-L124 VanDerWaalsContact O-N 3.16Å
125L24.6Very low29.5Very low173 Ų173133 Ų13391%0.90676%0.759SS**  trans-151.4115.4145.1-133.6132.9000112.6
126G26.8Very low29.3Very low62 Ų62134 Ų13464%0.63977%0.774SS**  trans-91.4159.1172.400000112.3
127E26.7Very low29.2Very low185 Ų185133.8 Ų133.886%0.86478%0.78SS**SBendtrans53.583.4163.2-57.3-163.3120.800118.4
128R28.6Very low29.3Very low241 Ų241137.2 Ų137.291%0.90980%0.804SS**  170.7114.3117.4-95.8164.6167.2162.8-3.1114.2
129T25.3Very low28.7Very low152 Ų152143.1 Ų143.193%0.93382%0.824SS**  trans-152.166.2154.923.30000110.2
130K27.8Very low28.6Very low205 Ų205143.5 Ų143.589%0.89183%0.831SS**  trans-84.3136156.9-79.6-171.1176.3-1770108.5
131S27.2Very low28.9Very low116 Ų116148.2 Ų148.281%0.81183%0.833SS**  trans60.593.5166.2178.70000116.9
132L25.8Very low29Very low177 Ų177146.4 Ų146.493%0.92782%0.821SS**  trans-153.156.9139.7-112.4177000111.1
133A27.9Very low29.5Very low104 Ų104143 Ų14386%0.8681%0.808SS**  trans-11282.1176.300000110.3
134S29Very low29.6Very low118 Ų118141.3 Ų141.383%0.82580%0.799SS**  trans-162.4152.8167.7-165.60000110.7
135A27.1Very low30Very low97 Ų97136.1 Ų136.180%0.80278%0.776SS**  trans79.862.5176.300000119.1
136A28.4Very low30.7Very low96 Ų96133.3 Ų133.379%0.79376%0.758SS**  trans-151150.113600000109.2
137L32.1Very low31.2Very low168 Ų168133.7 Ų133.788%0.8875%0.748SS**  trans-116.7-162.2-171.1-57.9171.1000111.3
138P37.9Very low31.5Very low117 Ų117126.6 Ų126.676%0.7673%0.725SS**  -128.1127.4-110.434.2-13.7000115.1
139F29.7Very low31.9Very low198 Ų198122.9 Ų122.987%0.86871%0.711SS**  trans-140.9-6173.9-160.6-114000116.6
140T33.2Very low32.6Very low104 Ų104117.6 Ų117.664%0.63868%0.678SS**THydrogen-bonded Turntrans-87.9-3.9-170.247.30000116.2S142 L143T140-S142 VanDerWaalsContact C-N 3.26Å; T140-S142 PolarHBondContact O-N 3.3Å; T140-L143 PolarHBondContact O-N 3.33Å
141Q34.8Very low33.2Very low173 Ų173110.7 Ų110.781%0.80865%0.651SS**THydrogen-bonded Turntrans-67.4-17.5-176.8-82.3-168.3-17.400115.1
142S29.8Very low33.6Very low82 Ų82107.9 Ų107.957%0.57363%0.631SS**THydrogen-bonded Turntrans-69.8-46.5175.6-163.90000112.1T140 L144 S145T140-S142 VanDerWaalsContact C-N 3.26Å; T140-S142 PolarHBondContact O-N 3.3Å; S142-L144 VanDerWaalsContact C-N 3.35Å; S142-L144 PolarHBondContact O-N 2.82Å; S142-S145 PolarHBondContact O-N 3.49Å; S142-S145 VanDerWaalsContact O-N 3.14Å; S142-S145 PolarHBondContact O-OG 3.35Å
143L37.2Very low34.2Very low110 Ų110106.8 Ų106.858%0.57662%0.615SS**THydrogen-bonded Turntrans-63.8-35.1-173.5-73167.7000113.4T140 S145 Q146 V147T140-L143 PolarHBondContact O-N 3.33Å; L143-S145 PolarHBondContact O-N 3.32Å; L143-S145 VanDerWaalsContact O-N 3.11Å; L143-Q146 PolarHBondContact O-N 2.89Å; L143-Q146 VanDerWaalsContact O-N 3.1Å; L143-V147 PolarHBondContact O-N 2.86Å
144L33.2Very low34.9Very low132 Ų132104.3 Ų104.369%0.69159%0.589SS**Hα-helixtrans-54.7-31.2176.4-68.6172.5000112.3S142S142-L144 VanDerWaalsContact C-N 3.35Å; S142-L144 PolarHBondContact O-N 2.82Å
145S36.3Very low35.5Very low49 Ų49102.7 Ų102.734%0.34357%0.568SS.*Hα-helixtrans-80.3-15.1-177.680.30000115S142 L143 R149S142-S145 PolarHBondContact O-N 3.49Å; S142-S145 VanDerWaalsContact O-N 3.14Å; S142-S145 PolarHBondContact O-OG 3.35Å; L143-S145 PolarHBondContact O-N 3.32Å; L143-S145 VanDerWaalsContact O-N 3.11Å; S145-R149 WeakPolarHBondContact O-CD 3.35Å; S145-R149 WeakPolarHBondContact O-CG 3.49Å; S145-R149 PolarHBondContact O-NE 2.91Å; S145-R149 VanDerWaalsContact O-NE 3.14Å; S145-R149 PolarHBondContact O-NH1 3.21Å; S145-R149 VanDerWaalsContact O-NH1 3.15Å
146Q39.2Very low36.2Very low114 Ų114105 Ų10553%0.53356%0.563SS.*Hα-helixtrans-96.3-44.7178.9-76.6174.2-75.800112L143 G148 R149 T150L143-Q146 PolarHBondContact O-N 2.89Å; L143-Q146 VanDerWaalsContact O-N 3.1Å; Q146-G148 PolarHBondContact O-N 3.4Å; Q146-R149 PolarHBondContact O-N 2.97Å; Q146-R149 VanDerWaalsContact O-N 3.1Å; Q146-T150 PolarHBondContact O-N 2.77Å; Q146-T150 VanDerWaalsContact O-N 3.13Å
147V38.7Very low36.8Very low69 Ų69102.3 Ų102.342%0.41854%0.54SS..Hα-helixtrans-63.5-39.2-175.4-178.50000112.3L143 R149 T150 L151L143-V147 PolarHBondContact O-N 2.86Å; V147-R149 VanDerWaalsContact C-N 3.34Å; V147-R149 PolarHBondContact O-N 3.31Å; V147-T150 PolarHBondContact O-N 2.89Å; V147-T150 PolarHBondContact O-OG1 2.86Å; V147-T150 VanDerWaalsContact O-OG1 3.1Å; V147-L151 HydrophobicContact CG1-CD1 4.08Å; V147-L151 WeakPolarHBondContact O-CB 3.36Å; V147-L151 PolarHBondContact O-N 2.83Å
148G32.1Very low37.1Very low37 Ų3795.6 Ų95.638%0.38150%0.504SS..Hα-helixtrans-60.1-42.4173.600000112.4Q146 T150 L151 S152Q146-G148 PolarHBondContact O-N 3.4Å; G148-T150 PolarHBondContact O-N 2.8Å; G148-L151 PolarHBondContact O-N 2.98Å; G148-S152 WeakPolarHBondContact O-CB 3.42Å; G148-S152 PolarHBondContact O-N 3.31Å; G148-S152 PolarHBondContact O-OG 3.38Å
149R37.3Very low36.9Very low163 Ų16395.1 Ų95.162%0.61550%0.499SS*.Hα-helixtrans-69.9-34.6-177.5-63.5177.3-171.4138.46113.1S145 Q146 V147 R153S145-R149 WeakPolarHBondContact O-CD 3.35Å; S145-R149 WeakPolarHBondContact O-CG 3.49Å; S145-R149 PolarHBondContact O-NE 2.91Å; S145-R149 VanDerWaalsContact O-NE 3.14Å; S145-R149 PolarHBondContact O-NH1 3.21Å; S145-R149 VanDerWaalsContact O-NH1 3.15Å; Q146-R149 PolarHBondContact O-N 2.97Å; Q146-R149 VanDerWaalsContact O-N 3.1Å; V147-R149 VanDerWaalsContact C-N 3.34Å; V147-R149 PolarHBondContact O-N 3.31Å; R149-R153 WeakPolarHBondContact O-CB 2.86Å; R149-R153 WeakPolarHBondContact O-CG 2.99Å; R149-R153 PolarHBondContact O-N 3Å; R149-R153 VanDerWaalsContact O-N 3.14Å
150T39.9Very low37Very low41 Ų4195 Ų9525%0.25249%0.493SS..Hα-helixtrans-74-40.7175.656.10000111.2Q146 V147 G148 R153 V154 E192Q146-T150 PolarHBondContact O-N 2.77Å; Q146-T150 VanDerWaalsContact O-N 3.13Å; V147-T150 PolarHBondContact O-N 2.89Å; V147-T150 PolarHBondContact O-OG1 2.86Å; V147-T150 VanDerWaalsContact O-OG1 3.1Å; G148-T150 PolarHBondContact O-N 2.8Å; T150-R153 PolarHBondContact O-N 3.05Å; T150-V154 WeakPolarHBondContact O-CB 3.5Å; T150-V154 WeakPolarHBondContact O-CG2 3.39Å; T150-V154 PolarHBondContact O-N 3.29Å; T150-E192 WeakPolarHBondContact CG2-OE1 3.5Å
151L39.8Very low36.8Very low59 Ų5995.4 Ų95.431%0.30950%0.5SS..Hα-helixtrans-61.7-47172.2-77.9170.6000112.1V147 G148 R153 V154 Q155V147-L151 HydrophobicContact CG1-CD1 4.08Å; V147-L151 WeakPolarHBondContact O-CB 3.36Å; V147-L151 PolarHBondContact O-N 2.83Å; G148-L151 PolarHBondContact O-N 2.98Å; L151-R153 VanDerWaalsContact C-N 3.29Å; L151-R153 PolarHBondContact O-N 3.36Å; L151-V154 PolarHBondContact O-N 3.4Å; L151-V154 VanDerWaalsContact O-N 3.15Å; L151-Q155 WeakPolarHBondContact O-CB 3.42Å; L151-Q155 PolarHBondContact O-N 3.09Å
152S36.8Very low37Very low58 Ų5896.7 Ų96.741%0.40650%0.499SS..Hα-helixtrans-60.7-36.1176-55.80000112.6G148 Q156G148-S152 WeakPolarHBondContact O-CB 3.42Å; G148-S152 PolarHBondContact O-N 3.31Å; G148-S152 PolarHBondContact O-OG 3.38Å; S152-Q156 WeakPolarHBondContact O-CB 3.32Å; S152-Q156 PolarHBondContact O-N 2.91Å
153R38.3Very low37.2Very low154 Ų15496.1 Ų96.158%0.58151%0.506SS*.Hα-helixtrans-67.8-41173.8-82177.2170.6-176.8-1.2112.7R149 T150 L151 Q156 A157 E192R149-R153 WeakPolarHBondContact O-CB 2.86Å; R149-R153 WeakPolarHBondContact O-CG 2.99Å; R149-R153 PolarHBondContact O-N 3Å; R149-R153 VanDerWaalsContact O-N 3.14Å; T150-R153 PolarHBondContact O-N 3.05Å; L151-R153 VanDerWaalsContact C-N 3.29Å; L151-R153 PolarHBondContact O-N 3.36Å; R153-Q156 PolarHBondContact O-N 2.78Å; R153-A157 WeakPolarHBondContact O-CB 3.39Å; R153-A157 PolarHBondContact O-N 2.99Å; R153-E192 IonicContact NH1-OE2 2.67Å; R153-E192 PolarHBondContact NH1-OE2 3.12Å
154V42.4Very low36.9Very low52 Ų5299.2 Ų99.232%0.31552%0.518SS..Hα-helixtrans-64.5-43.7175.7166.20000110.4T150 L151 A157 F158T150-V154 WeakPolarHBondContact O-CB 3.5Å; T150-V154 WeakPolarHBondContact O-CG2 3.39Å; T150-V154 PolarHBondContact O-N 3.29Å; L151-V154 PolarHBondContact O-N 3.4Å; L151-V154 VanDerWaalsContact O-N 3.15Å; V154-A157 CarbonylContact O-C 3.53Å; V154-A157 PolarHBondContact O-N 2.87Å; V154-F158 HydrophobicContact CG1-CD2 3.68Å; V154-F158 HydrophobicContact CG1-CE2 3.38Å; V154-F158 HydrophobicContact CG1-CZ 4.46Å; V154-F158 WeakPolarHBondContact O-CD2 3.47Å; V154-F158 PolarHBondContact O-N 3.16Å
155Q41.8Very low37Very low84 Ų84101.7 Ų101.739%0.39353%0.525SS..Hα-helixtrans-60.2-45.5173.2-165.2-179.926.400111.5L151 A157 F158 T159 L777L151-Q155 WeakPolarHBondContact O-CB 3.42Å; L151-Q155 PolarHBondContact O-N 3.09Å; Q155-A157 VanDerWaalsContact C-N 3.32Å; Q155-A157 PolarHBondContact O-N 3.19Å; Q155-F158 CarbonylContact O-C 3.53Å; Q155-F158 PolarHBondContact O-N 2.7Å; Q155-F158 VanDerWaalsContact O-N 3.14Å; Q155-T159 PolarHBondContact O-N 2.54Å; Q155-T159 PolarHBondContact O-OG1 3.29Å; Q155-L777 PolarHBondContact NE2-O 3.4Å
156Q40.1Very low37.3Very low146 Ų146105.8 Ų105.868%0.68254%0.542SS*.Hα-helixtrans-65.8-31.7175.9-168.5169.259.100112.6S152 R153 T159S152-Q156 WeakPolarHBondContact O-CB 3.32Å; S152-Q156 PolarHBondContact O-N 2.91Å; R153-Q156 PolarHBondContact O-N 2.78Å; Q156-T159 WeakPolarHBondContact CA-OG1 3.46Å; Q156-T159 WeakPolarHBondContact O-CB 3.46Å; Q156-T159 PolarHBondContact O-N 2.74Å
157A41Very low37.3Very low39 Ų39109.1 Ų109.132%0.32256%0.555SS.*Hα-helixtrans-75.6-28.6171.700000113.3R153 V154 Q155 T159 L196R153-A157 WeakPolarHBondContact O-CB 3.39Å; R153-A157 PolarHBondContact O-N 2.99Å; V154-A157 CarbonylContact O-C 3.53Å; V154-A157 PolarHBondContact O-N 2.87Å; Q155-A157 VanDerWaalsContact C-N 3.32Å; Q155-A157 PolarHBondContact O-N 3.19Å; A157-T159 VanDerWaalsContact C-N 3.26Å; A157-L196 HydrophobicContact CB-CD2 3.71Å
158F39.3Very low37.9Very low26 Ų26111.4 Ų111.411%0.11457%0.571CS.*Hα-helixtrans-73.6-14.3167.8-76.9-57.6000113.1V154 Q155 W160 Y199 A774 L777V154-F158 HydrophobicContact CG1-CD2 3.68Å; V154-F158 HydrophobicContact CG1-CE2 3.38Å; V154-F158 HydrophobicContact CG1-CZ 4.46Å; V154-F158 WeakPolarHBondContact O-CD2 3.47Å; V154-F158 PolarHBondContact O-N 3.16Å; Q155-F158 CarbonylContact O-C 3.53Å; Q155-F158 PolarHBondContact O-N 2.7Å; Q155-F158 VanDerWaalsContact O-N 3.14Å; F158-W160 PolarHBondContact O-N 3.45Å; F158-Y199 HydrophobicContact CE1-CE1 4.15Å; F158-Y199 AromaticContact CZ-CE1 3.9Å; F158-Y199 HydrophobicContact CZ-CE1 3.9Å; F158-A774 HydrophobicContact CD1-CB 4.41Å; F158-L777 HydrophobicContact CD2-CD1 4.14Å; F158-L777 HydrophobicContact CE2-CD1 3.68Å
159T33.7Very low39.2Very low108 Ų108112.7 Ų112.766%0.66357%0.566SS**THydrogen-bonded Turntrans-7412.9178.8-490000113.3Q155 Q156 A157Q155-T159 PolarHBondContact O-N 2.54Å; Q155-T159 PolarHBondContact O-OG1 3.29Å; Q156-T159 WeakPolarHBondContact CA-OG1 3.46Å; Q156-T159 WeakPolarHBondContact O-CB 3.46Å; Q156-T159 PolarHBondContact O-N 2.74Å; A157-T159 VanDerWaalsContact C-N 3.26Å
160W31.9Very low41Very low196 Ų196109.2 Ų109.274%0.74256%0.556SS**SBendtrans-74.6126.5167.2-80.718.7000110.1F158 Y162F158-W160 PolarHBondContact O-N 3.45Å; W160-Y162 WeakPolarHBondContact O-CD2 3.41Å; W160-Y162 PolarHBondContact O-N 3.01Å
161S28.4Very low43.2Very low111 Ų111111.6 Ų111.678%0.77657%0.572SS**  trans-57104.3-163.257.20000115.1G163S161-G163 PolarHBondContact O-N 2.64Å
162Y39.5Very low45.7Very low200 Ų200111.4 Ų111.478%0.78457%0.574SS**  trans-78.158.1164.6-80.8-86.7000111.3W160W160-Y162 WeakPolarHBondContact O-CD2 3.41Å; W160-Y162 PolarHBondContact O-N 3.01Å
163G34Very low48.4Very low71 Ų71108.7 Ų108.773%0.73256%0.555SS**SBendtrans-125.217.717900000113.4S161S161-G163 PolarHBondContact O-N 2.64Å
164E30.7Very low51.1Low175 Ų175103 Ų10382%0.81854%0.539SS*.SBendtrans-152.2173.3180-125.2170.5-160.200110.3
165E35.7Very low53.4Low183 Ų183104.1 Ų104.186%0.85554%0.544SS*.  trans-56.5150.9-163.6-60.1-173.5153.400115.5K167E165-K167 PolarHBondContact O-N 2.64Å
166I43.3Very low55.8Low136 Ų136104.5 Ų104.570%0.69756%0.555SS**  trans-55.9100.6-175.2-58.1167.8000110.4
167K39Very low58.4Low184 Ų184100.3 Ų100.380%0.854%0.536SS*.  trans-61.1134.7170.9-84.7170.3178.1153.70109.5E165E165-K167 PolarHBondContact O-N 2.64Å
168P50.1Low60.8Low117 Ų11798.8 Ų98.876%0.7652%0.522SS*.  trans-60.3161.4173.927.5-35.1000110.3K170P168-K170 PolarHBondContact O-N 2.74Å
169F60.1Low63.3Low63 Ų63102.4 Ų102.428%0.27654%0.539SS..  trans-45.5131.3170.8-80.1-96.7000110S763 L766F169-S763 WeakPolarHBondContact CZ-O 3.37Å; F169-L766 HydrophobicContact CE1-CB 4.02Å; F169-L766 HydrophobicContact CE1-CD1 3.91Å; F169-L766 HydrophobicContact CZ-CB 3.88Å; F169-L766 HydrophobicContact CZ-CD1 4.37Å
170K75.8Confident66.2Low90 Ų90100.4 Ų100.439%0.39153%0.529SS..PPolyproline II helixtrans-52.7140.7165-71.2-171.3-178.2175.30107.4P168 H200 G201P168-K170 PolarHBondContact O-N 2.74Å; K170-H200 HydrophobicContact CB-CB 4.39Å; K170-H200 HydrophobicContact CD-CB 3.87Å; K170-H200 HydrophobicContact CG-CB 4.27Å; K170-G201 WeakPolarHBondContact O-CA 3.46Å
171P85.9Confident69Low91 Ų9192 Ų9259%0.59150%0.497SS*.PPolyproline II helixtrans-56159.9176.124.8-34.2000110.1R197P171-R197 VanDerWaalsContact O-CZ 3.26Å; P171-R197 PolarHBondContact O-NH1 3.08Å; P171-R197 PolarHBondContact O-NH2 3.31Å
172P91.4Very high72Confident56 Ų5688.2 Ų88.236%0.36447%0.468SS..PPolyproline II helixtrans-50.8151.4169.4-23.934.2000111.2S174 R197 G202 E204P172-S174 PolarHBondContact O-N 2.59Å; P172-R197 PolarHBondContact O-NH2 3.4Å; P172-R197 VanDerWaalsContact O-NH2 3.11Å; P172-G202 WeakPolarHBondContact CA-O 3.48Å; P172-E204 HydrophobicContact CB-CB 4.36Å
173L93.9Very high74.4Confident0 Ų081.4 Ų81.40%045%0.446CS..BIsolated β-bridgetrans-59119.8172.5175.271.2000109.2E177 F178 Y181 L194 R197 I198 G202 E204 L207 V211L173-E177 HydrophobicContact CD1-CB 3.96Å; L173-E177 HydrophobicContact CD1-CG 3.82Å; L173-F178 HydrophobicContact CD1-CB 4.41Å; L173-F178 HydrophobicContact CD2-CB 4.08Å; L173-F178 HydrophobicContact CD2-CD2 4.12Å; L173-F178 HydrophobicContact CD2-CG 4.48Å; L173-F178 HydrophobicContact CG-CB 4.19Å; L173-Y181 HydrophobicContact CD1-CE2 4.16Å; L173-L194 HydrophobicContact CD1-CD1 4.46Å; L173-L194 HydrophobicContact CD2-CD1 3.55Å; L173-R197 HydrophobicContact CD1-CG 3.88Å; L173-I198 HydrophobicContact CD2-CD1 4.28Å; L173-I198 HydrophobicContact CD2-CG1 4.05Å; L173-G202 PolarHBondContact N-O 3.36Å; L173-E204 WeakPolarHBondContact O-CB 3.44Å; L173-E204 PolarHBondContact O-N 2.99Å; L173-E204 VanDerWaalsContact O-N 3.17Å; L173-L207 HydrophobicContact CD2-CD1 4.4Å; L173-L207 HydrophobicContact CG-CD1 4.24Å; L173-L207 WeakPolarHBondContact O-CD1 3.48Å; L173-V211 HydrophobicContact CD2-CG2 4.26Å
174S94.4Very high76.9Confident36 Ų3682.1 Ų82.125%0.25245%0.453SS..PPolyproline II helixtrans-88.9159.6178.468.50000112.1P172 S176 E177 F178P172-S174 PolarHBondContact O-N 2.59Å; S174-S176 PolarHBondContact O-N 2.89Å; S174-S176 PolarHBondContact OG-OG 2.98Å; S174-S176 VanDerWaalsContact OG-OG 3.13Å; S174-E177 PolarHBondContact O-N 2.87Å; S174-E177 WeakPolarHBondContact OG-CB 3.39Å; S174-E177 PolarHBondContact OG-N 3.5Å; S174-F178 PolarHBondContact O-N 3.13Å
175D92.5Very high79.5Confident75 Ų7580.5 Ų80.540%0.40145%0.445SS..Hα-helixtrans-55.8-45.8179.9178.884.9000113.3E177 F178 H179 L207D175-E177 VanDerWaalsContact C-N 3.27Å; D175-E177 PolarHBondContact O-N 3.25Å; D175-F178 PolarHBondContact O-N 3.22Å; D175-H179 PolarHBondContact O-N 3.33Å; D175-H179 PolarHBondContact O-ND1 3.06Å; D175-H179 IonicContact OD1-CE1 2.67Å; D175-H179 PolarHBondContact OD1-CE1 3.23Å; D175-H179 VanDerWaalsContact OD1-CE1 3.25Å; D175-H179 IonicContact OD1-ND1 2.66Å; D175-H179 IonicContact OD2-CE1 2.68Å; D175-H179 PolarHBondContact OD2-CE1 3.28Å; D175-H179 IonicContact OD2-ND1 2.84Å; D175-H179 PolarHBondContact OD2-ND1 3.36Å; D175-L207 HydrophobicContact CB-CD2 4.06Å
176S91.9Very high82Confident91 Ų9172.5 Ų72.564%0.63641%0.412SS*.Hα-helixtrans-61.1-33176.251.70000113.6S174S174-S176 PolarHBondContact O-N 2.89Å; S174-S176 PolarHBondContact OG-OG 2.98Å; S174-S176 VanDerWaalsContact OG-OG 3.13Å
177E93.1Very high84.2Confident58 Ų5869 Ų6927%0.27139%0.393SS..Hα-helixtrans-79.2-40.5177.8-170.5179.1-164.500110.6L173 S174 D175 H179 S180 Y181 R197L173-E177 HydrophobicContact CD1-CB 3.96Å; L173-E177 HydrophobicContact CD1-CG 3.82Å; S174-E177 PolarHBondContact O-N 2.87Å; S174-E177 WeakPolarHBondContact OG-CB 3.39Å; S174-E177 PolarHBondContact OG-N 3.5Å; D175-E177 VanDerWaalsContact C-N 3.27Å; D175-E177 PolarHBondContact O-N 3.25Å; E177-H179 VanDerWaalsContact C-N 3.34Å; E177-H179 PolarHBondContact O-N 3.17Å; E177-S180 VanDerWaalsContact O-CB 3.32Å; E177-S180 WeakPolarHBondContact O-CB 3.14Å; E177-S180 PolarHBondContact O-N 3.44Å; E177-S180 PolarHBondContact O-OG 2.75Å; E177-Y181 HydrophobicContact CG-CE2 4.27Å; E177-Y181 WeakPolarHBondContact O-CD2 3.3Å; E177-Y181 WeakPolarHBondContact O-CE2 3.39Å; E177-R197 WeakPolarHBondContact OE1-CD 3.23Å; E177-R197 IonicContact OE1-CZ 2.6Å; E177-R197 IonicContact OE1-NE 2.79Å; E177-R197 PolarHBondContact OE1-NE 2.95Å; E177-R197 IonicContact OE1-NH2 3.24Å; E177-R197 IonicContact OE2-CZ 2.7Å; E177-R197 IonicContact OE2-NE 3.62Å; E177-R197 PolarHBondContact OE2-NE 3.01Å; E177-R197 IonicContact OE2-NH2 2.74Å; E177-R197 PolarHBondContact OE2-NH2 3.42Å
178F93.4Very high86.6Confident8 Ų861.7 Ų61.74%0.03536%0.363CS..Hα-helixtrans-58.2-44.2173.9175.7-116.3000111.9L173 S174 D175 S180 Y181 L182 L194 L207 V210 V211 Y214L173-F178 HydrophobicContact CD1-CB 4.41Å; L173-F178 HydrophobicContact CD2-CB 4.08Å; L173-F178 HydrophobicContact CD2-CD2 4.12Å; L173-F178 HydrophobicContact CD2-CG 4.48Å; L173-F178 HydrophobicContact CG-CB 4.19Å; S174-F178 PolarHBondContact O-N 3.13Å; D175-F178 PolarHBondContact O-N 3.22Å; F178-S180 PolarHBondContact O-N 2.88Å; F178-S180 VanDerWaalsContact O-N 3.16Å; F178-Y181 WeakPolarHBondContact O-CB 3.39Å; F178-Y181 PolarHBondContact O-N 3.49Å; F178-L182 HydrophobicContact CE1-CD1 4Å; F178-L182 HydrophobicContact CZ-CD1 4.27Å; F178-L182 HydrophobicContact CZ-CD2 4.3Å; F178-L194 HydrophobicContact CD2-CD1 4.04Å; F178-L194 HydrophobicContact CD2-CD2 4.38Å; F178-L194 HydrophobicContact CE2-CD2 4.03Å; F178-L207 HydrophobicContact CB-CD1 3.81Å; F178-L207 HydrophobicContact CD1-CD2 4.33Å; F178-L207 HydrophobicContact CG-CD1 4.32Å; F178-V210 HydrophobicContact CE1-CG1 3.95Å; F178-V210 HydrophobicContact CZ-CG1 4.02Å; F178-V211 HydrophobicContact CD2-CG2 3.96Å; F178-V211 HydrophobicContact CE2-CG2 3.98Å; F178-V211 HydrophobicContact CG-CG2 4.31Å; F178-V211 HydrophobicContact CZ-CG2 4.34Å; F178-Y214 HydrophobicContact CE2-CE2 4.38Å; F178-Y214 AromaticContact CZ-CE2 3.96Å; F178-Y214 HydrophobicContact CZ-CE2 3.96Å
179H91.5Very high88.4Confident102 Ų10259.6 Ų59.647%0.47235%0.348SS..Hα-helixtrans-57.9-27.3174.7-79.698.4000113.4D175 E177 Y181 L182D175-H179 PolarHBondContact O-N 3.33Å; D175-H179 PolarHBondContact O-ND1 3.06Å; D175-H179 IonicContact OD1-CE1 2.67Å; D175-H179 PolarHBondContact OD1-CE1 3.23Å; D175-H179 VanDerWaalsContact OD1-CE1 3.25Å; D175-H179 IonicContact OD1-ND1 2.66Å; D175-H179 IonicContact OD2-CE1 2.68Å; D175-H179 PolarHBondContact OD2-CE1 3.28Å; D175-H179 IonicContact OD2-ND1 2.84Å; D175-H179 PolarHBondContact OD2-ND1 3.36Å; E177-H179 VanDerWaalsContact C-N 3.34Å; E177-H179 PolarHBondContact O-N 3.17Å; H179-Y181 PolarHBondContact O-N 2.94Å; H179-L182 PolarHBondContact O-N 2.76Å; H179-L182 VanDerWaalsContact O-N 3.14Å
180S93.6Very high89.8Confident66 Ų6660.3 Ų60.346%0.46235%0.349SS..THydrogen-bonded Turntrans-69.9-15.1176.183.10000114.4E177 F178 R190E177-S180 VanDerWaalsContact O-CB 3.32Å; E177-S180 WeakPolarHBondContact O-CB 3.14Å; E177-S180 PolarHBondContact O-N 3.44Å; E177-S180 PolarHBondContact O-OG 2.75Å; F178-S180 PolarHBondContact O-N 2.88Å; F178-S180 VanDerWaalsContact O-N 3.16Å; S180-R190 PolarHBondContact O-NH2 3.44Å
181Y91.4Very high90.4Very high18 Ų1857.9 Ų57.97%0.07134%0.342CS..THydrogen-bonded Turntrans-88.2-12.7173.5-64.5-88.1000112.5L173 E177 F178 H179 T189 R190 E193 L194 R197L173-Y181 HydrophobicContact CD1-CE2 4.16Å; E177-Y181 HydrophobicContact CG-CE2 4.27Å; E177-Y181 WeakPolarHBondContact O-CD2 3.3Å; E177-Y181 WeakPolarHBondContact O-CE2 3.39Å; F178-Y181 WeakPolarHBondContact O-CB 3.39Å; F178-Y181 PolarHBondContact O-N 3.49Å; H179-Y181 PolarHBondContact O-N 2.94Å; Y181-T189 PolarHBondContact O-N 3.43Å; Y181-T189 PolarHBondContact O-OG1 3.21Å; Y181-R190 HydrophobicContact CD1-CB 4.08Å; Y181-E193 HydrophobicContact CE1-CB 3.81Å; Y181-L194 HydrophobicContact CD1-CB 3.84Å; Y181-L194 HydrophobicContact CD2-CD1 3.96Å; Y181-L194 HydrophobicContact CE1-CB 4.12Å; Y181-L194 HydrophobicContact CE2-CD1 4.18Å; Y181-L194 HydrophobicContact CG-CB 4.16Å; Y181-L194 HydrophobicContact CG-CD1 4.19Å; Y181-R197 VanDerWaalsContact OH-CB 3.32Å; Y181-R197 WeakPolarHBondContact OH-CB 3.41Å
182L90.8Very high90.5Very high32 Ų3256.9 Ų56.917%0.16833%0.329CS..BIsolated β-bridgetrans-94.5148.2179.2-56.3-178.6000111.2F178 H179 Q187 L188F178-L182 HydrophobicContact CE1-CD1 4Å; F178-L182 HydrophobicContact CZ-CD1 4.27Å; F178-L182 HydrophobicContact CZ-CD2 4.3Å; H179-L182 PolarHBondContact O-N 2.76Å; H179-L182 VanDerWaalsContact O-N 3.14Å; L182-Q187 CarbonylContact C-O 3.46Å; L182-Q187 VanDerWaalsContact CA-O 3.3Å; L182-Q187 WeakPolarHBondContact CA-O 3.38Å; L182-L188 HydrophobicContact CD2-CB 4.34Å; L182-L188 HydrophobicContact CD2-CD1 4.4Å
183N90Very high90.4Very high58 Ų5858.8 Ų58.831%0.3133%0.333SS..  trans-86.6177.9166.573.87.4000111.8Q185 G186 Q187 T189N183-Q185 PolarHBondContact O-N 2.99Å; N183-Q185 WeakPolarHBondContact OD1-CA 3.45Å; N183-Q185 PolarHBondContact OD1-N 3.19Å; N183-G186 PolarHBondContact O-N 2.88Å; N183-G186 PolarHBondContact OD1-N 2.9Å; N183-Q187 PolarHBondContact N-O 3.42Å; N183-Q187 PolarHBondContact ND2-OE1 3.05Å; N183-Q187 WeakPolarHBondContact OD1-CB 3.13Å; N183-Q187 PolarHBondContact OD1-N 3.18Å; N183-T189 HydrophobicContact CB-CG2 3.74Å
184G86Confident90.3Very high86 Ų8659 Ų5989%0.88733%0.334SS*.THydrogen-bonded Turntrans-63.5-4.5178.300000116.2
185Q86.8Confident90.2Very high140 Ų14058 Ų5865%0.65433%0.325SS*.THydrogen-bonded Turntrans-107.14.5171.4-58.7-60.9-25.800112.2N183 Q187 S224 G225N183-Q185 PolarHBondContact O-N 2.99Å; N183-Q185 WeakPolarHBondContact OD1-CA 3.45Å; N183-Q185 PolarHBondContact OD1-N 3.19Å; Q185-Q187 VanDerWaalsContact C-N 3.3Å; Q185-Q187 HydrophobicContact CB-CG 4.39Å; Q185-Q187 PolarHBondContact O-N 3.33Å; Q185-S224 WeakPolarHBondContact O-CB 3.5Å; Q185-G225 PolarHBondContact O-N 3.17Å
186G87.1Confident90Very high16 Ų1656.6 Ų56.617%0.16532%0.317CS..SBendtrans72.117.8-177.100000114.6N183 R228N183-G186 PolarHBondContact O-N 2.88Å; N183-G186 PolarHBondContact OD1-N 2.9Å; G186-R228 PolarHBondContact O-NH2 2.91Å
187Q88.6Confident90Very high63 Ų6353.1 Ų53.129%0.29429%0.29SS..  trans-78.9143.2170.1-58169.5-54.900109.5L182 N183 Q185 G222L182-Q187 CarbonylContact C-O 3.46Å; L182-Q187 VanDerWaalsContact CA-O 3.3Å; L182-Q187 WeakPolarHBondContact CA-O 3.38Å; N183-Q187 PolarHBondContact N-O 3.42Å; N183-Q187 PolarHBondContact ND2-OE1 3.05Å; N183-Q187 WeakPolarHBondContact OD1-CB 3.13Å; N183-Q187 PolarHBondContact OD1-N 3.18Å; Q185-Q187 VanDerWaalsContact C-N 3.3Å; Q185-Q187 HydrophobicContact CB-CG 4.39Å; Q185-Q187 PolarHBondContact O-N 3.33Å; Q187-G222 WeakPolarHBondContact CG-O 3.44Å; Q187-G222 PolarHBondContact NE2-O 2.94Å
188L89.9Confident90.1Very high30 Ų3050.3 Ų50.316%0.15728%0.277CS..BIsolated β-bridgetrans-78.7122.4176.4177.658.5000110.2L182 P191 L194 Y214L182-L188 HydrophobicContact CD2-CB 4.34Å; L182-L188 HydrophobicContact CD2-CD1 4.4Å; L188-P191 HydrophobicContact CD2-CB 3.85Å; L188-P191 HydrophobicContact CG-CB 4.26Å; L188-L194 HydrophobicContact CD1-CD2 3.76Å; L188-L194 HydrophobicContact CD2-CD2 3.91Å; L188-Y214 HydrophobicContact CB-CE1 3.81Å; L188-Y214 HydrophobicContact CD2-CD1 3.48Å; L188-Y214 VanDerWaalsContact CD2-CD1 3.48Å; L188-Y214 HydrophobicContact CD2-CE1 3.56Å; L188-Y214 HydrophobicContact CD2-CG 4.18Å; L188-Y214 HydrophobicContact CG-CE1 4.31Å
189T88.3Confident90.1Very high72 Ų7250.3 Ų50.344%0.44228%0.277SS..SBendtrans-96.5-29.2-172.859.50000114.6Y181 N183Y181-T189 PolarHBondContact O-N 3.43Å; Y181-T189 PolarHBondContact O-OG1 3.21Å; N183-T189 HydrophobicContact CB-CG2 3.74Å
190R89.3Confident89.9Confident79 Ų7947.2 Ų47.230%0.29826%0.263SS..  trans-135.968.2-171.9-64.1175.9-66.2132.1-2.5110.5S180 Y181 E192 E193 L194S180-R190 PolarHBondContact O-NH2 3.44Å; Y181-R190 HydrophobicContact CD1-CB 4.08Å; R190-E192 PolarHBondContact O-N 3.02Å; R190-E193 HydrophobicContact CB-CB 4.17Å; R190-E193 HydrophobicContact CB-CG 4.41Å; R190-E193 WeakPolarHBondContact CD-OE1 3.33Å; R190-E193 IonicContact CZ-OE2 3.2Å; R190-E193 IonicContact NH1-OE2 2.7Å; R190-E193 PolarHBondContact NH1-OE2 2.99Å; R190-E193 PolarHBondContact O-N 3.36Å; R190-L194 PolarHBondContact O-N 3.25Å
191P89Confident89.6Confident38 Ų3844.1 Ų44.125%0.24724%0.241CC..Hα-helixtrans-64.6-38.1-174.125.1-34000113.4L188 L194 R195 P410L188-P191 HydrophobicContact CD2-CB 3.85Å; L188-P191 HydrophobicContact CG-CB 4.26Å; P191-L194 PolarHBondContact O-N 3.44Å; P191-R195 PolarHBondContact O-N 3.35Å; P191-P410 HydrophobicContact CB-CB 4.35Å; P191-P410 HydrophobicContact CB-CG 4.12Å
192E87.7Confident89.7Confident71 Ų7143.3 Ų43.333%0.33224%0.238SC..Hα-helixtrans-57.4-50.7174.4-68.4169.1-160.200111.6T150 R153 R190 L194 R195 L196 P410T150-E192 WeakPolarHBondContact CG2-OE1 3.5Å; R153-E192 IonicContact NH1-OE2 2.67Å; R153-E192 PolarHBondContact NH1-OE2 3.12Å; R190-E192 PolarHBondContact O-N 3.02Å; E192-L194 PolarHBondContact O-N 2.57Å; E192-R195 PolarHBondContact O-N 3.15Å; E192-L196 PolarHBondContact O-N 2.97Å; E192-P410 HydrophobicContact CG-CG 4.29Å
193E89.4Confident89.9Confident96 Ų9642 Ų4245%0.44923%0.231SC..Hα-helixtrans-69.6-33.2-178.2-64.1175.1-133.100112.6Y181 R190 R197Y181-E193 HydrophobicContact CE1-CB 3.81Å; R190-E193 HydrophobicContact CB-CB 4.17Å; R190-E193 HydrophobicContact CB-CG 4.41Å; R190-E193 WeakPolarHBondContact CD-OE1 3.33Å; R190-E193 IonicContact CZ-OE2 3.2Å; R190-E193 IonicContact NH1-OE2 2.7Å; R190-E193 PolarHBondContact NH1-OE2 2.99Å; R190-E193 PolarHBondContact O-N 3.36Å; E193-R197 VanDerWaalsContact O-CB 3.27Å; E193-R197 WeakPolarHBondContact O-CB 3.32Å; E193-R197 PolarHBondContact O-N 2.79Å
194L91.6Very high90.2Very high4 Ų442.6 Ų42.62%0.02123%0.232CC..Hα-helixtrans-62.6-46.5171.9175.762.1000110.5L173 F178 Y181 L188 R190 P191 E192 R197 I198L173-L194 HydrophobicContact CD1-CD1 4.46Å; L173-L194 HydrophobicContact CD2-CD1 3.55Å; F178-L194 HydrophobicContact CD2-CD1 4.04Å; F178-L194 HydrophobicContact CD2-CD2 4.38Å; F178-L194 HydrophobicContact CE2-CD2 4.03Å; Y181-L194 HydrophobicContact CD1-CB 3.84Å; Y181-L194 HydrophobicContact CD2-CD1 3.96Å; Y181-L194 HydrophobicContact CE1-CB 4.12Å; Y181-L194 HydrophobicContact CE2-CD1 4.18Å; Y181-L194 HydrophobicContact CG-CB 4.16Å; Y181-L194 HydrophobicContact CG-CD1 4.19Å; L188-L194 HydrophobicContact CD1-CD2 3.76Å; L188-L194 HydrophobicContact CD2-CD2 3.91Å; R190-L194 PolarHBondContact O-N 3.25Å; P191-L194 PolarHBondContact O-N 3.44Å; E192-L194 PolarHBondContact O-N 2.57Å; L194-R197 PolarHBondContact O-N 3.29Å; L194-I198 HydrophobicContact CD1-CD1 3.99Å; L194-I198 HydrophobicContact CD1-CG1 4.42Å; L194-I198 HydrophobicContact CG-CD1 4Å; L194-I198 VanDerWaalsContact O-CG1 3.29Å; L194-I198 WeakPolarHBondContact O-CG1 3.19Å; L194-I198 PolarHBondContact O-N 3.26Å
195R92.6Very high90.6Very high15 Ų1542.6 Ų42.66%0.05722%0.217CC..Hα-helixtrans-61.6-48175.5-76.6-163.3177.3-152.6-3.1111.7P191 E192 R197 I198 Y199 Y214 L215 N217 W405 S406 L408 P409P191-R195 PolarHBondContact O-N 3.35Å; E192-R195 PolarHBondContact O-N 3.15Å; R195-R197 VanDerWaalsContact C-N 3.28Å; R195-R197 PolarHBondContact O-N 3.11Å; R195-I198 PolarHBondContact O-N 3.1Å; R195-I198 VanDerWaalsContact O-N 3.11Å; R195-Y199 WeakPolarHBondContact O-CB 3.49Å; R195-Y199 PolarHBondContact O-N 3.04Å; R195-Y214 PolarHBondContact NH2-O 3.09Å; R195-L215 HydrophobicContact CG-CD2 4.25Å; R195-L215 PolarHBondContact NH2-O 3.22Å; R195-N217 PolarHBondContact NH2-OD1 3.36Å; R195-W405 PolarHBondContact NH1-O 3.45Å; R195-S406 WeakPolarHBondContact O-CB 3.47Å; R195-L408 VanDerWaalsContact CD-O 3.3Å; R195-L408 WeakPolarHBondContact CD-O 3.24Å; R195-L408 PolarHBondContact NH1-O 3.27Å; R195-P409 PolarHBondContact NH1-O 3.02Å
196L89Confident91Very high46 Ų4639.5 Ų39.524%0.24121%0.21CC..Hα-helixtrans-59.1-38.3176.4-17563.1000112.4A157 E192 Y199 H200A157-L196 HydrophobicContact CB-CD2 3.71Å; E192-L196 PolarHBondContact O-N 2.97Å; L196-Y199 HydrophobicContact CD1-CD1 4.37Å; L196-Y199 PolarHBondContact O-N 3.37Å; L196-H200 PolarHBondContact O-CD2 3.12Å; L196-H200 PolarHBondContact O-N 3.47Å
197R91.9Very high91.4Very high17 Ų1739.1 Ų39.16%0.06421%0.205CC..Hα-helixtrans-65.1-38.817617556.8-173.889.83.1112.9P171 P172 L173 E177 Y181 E193 L194 R195 G201P171-R197 VanDerWaalsContact O-CZ 3.26Å; P171-R197 PolarHBondContact O-NH1 3.08Å; P171-R197 PolarHBondContact O-NH2 3.31Å; P172-R197 PolarHBondContact O-NH2 3.4Å; P172-R197 VanDerWaalsContact O-NH2 3.11Å; L173-R197 HydrophobicContact CD1-CG 3.88Å; E177-R197 WeakPolarHBondContact OE1-CD 3.23Å; E177-R197 IonicContact OE1-CZ 2.6Å; E177-R197 IonicContact OE1-NE 2.79Å; E177-R197 PolarHBondContact OE1-NE 2.95Å; E177-R197 IonicContact OE1-NH2 3.24Å; E177-R197 IonicContact OE2-CZ 2.7Å; E177-R197 IonicContact OE2-NE 3.62Å; E177-R197 PolarHBondContact OE2-NE 3.01Å; E177-R197 IonicContact OE2-NH2 2.74Å; E177-R197 PolarHBondContact OE2-NH2 3.42Å; Y181-R197 VanDerWaalsContact OH-CB 3.32Å; Y181-R197 WeakPolarHBondContact OH-CB 3.41Å; E193-R197 VanDerWaalsContact O-CB 3.27Å; E193-R197 WeakPolarHBondContact O-CB 3.32Å; E193-R197 PolarHBondContact O-N 2.79Å; L194-R197 PolarHBondContact O-N 3.29Å; R195-R197 VanDerWaalsContact C-N 3.28Å; R195-R197 PolarHBondContact O-N 3.11Å; R197-G201 PolarHBondContact O-N 2.78Å
198I94.1Very high91.8Very high0 Ų037.1 Ų37.10%019%0.194CC..Hα-helixtrans-69.2-45174.1-65.5164.8000110L173 L194 R195 H200 G201 G202 V203 V211 L215 E402L173-I198 HydrophobicContact CD2-CD1 4.28Å; L173-I198 HydrophobicContact CD2-CG1 4.05Å; L194-I198 HydrophobicContact CD1-CD1 3.99Å; L194-I198 HydrophobicContact CD1-CG1 4.42Å; L194-I198 HydrophobicContact CG-CD1 4Å; L194-I198 VanDerWaalsContact O-CG1 3.29Å; L194-I198 WeakPolarHBondContact O-CG1 3.19Å; L194-I198 PolarHBondContact O-N 3.26Å; R195-I198 PolarHBondContact O-N 3.1Å; R195-I198 VanDerWaalsContact O-N 3.11Å; I198-H200 PolarHBondContact O-N 3.36Å; I198-H200 VanDerWaalsContact O-N 3.17Å; I198-G201 PolarHBondContact O-N 2.66Å; I198-G202 PolarHBondContact O-N 2.8Å; I198-V203 HydrophobicContact CD1-CG2 4.28Å; I198-V203 HydrophobicContact CG1-CG2 4.1Å; I198-V203 HydrophobicContact CG2-CG2 3.77Å; I198-V211 HydrophobicContact CD1-CG1 3.46Å; I198-V211 VanDerWaalsContact CD1-CG1 3.46Å; I198-V211 HydrophobicContact CG1-CG1 4.49Å; I198-L215 HydrophobicContact CD1-CD1 4.43Å; I198-L215 HydrophobicContact CD1-CD2 3.89Å; I198-L215 HydrophobicContact CD1-CG 4.38Å; I198-L215 HydrophobicContact CG2-CD1 4.25Å; I198-L215 HydrophobicContact CG2-CD2 4.48Å; I198-E402 HydrophobicContact CG2-CB 4.3Å
199Y92.9Very high92Very high7 Ų740 Ų403%0.02721%0.206CC..Hα-helixtrans-52.7-42.2178.2176.3-105.3000111.9F158 R195 L196 V403 S406 F723 K770 F773F158-Y199 HydrophobicContact CE1-CE1 4.15Å; F158-Y199 AromaticContact CZ-CE1 3.9Å; F158-Y199 HydrophobicContact CZ-CE1 3.9Å; R195-Y199 WeakPolarHBondContact O-CB 3.49Å; R195-Y199 PolarHBondContact O-N 3.04Å; L196-Y199 HydrophobicContact CD1-CD1 4.37Å; L196-Y199 PolarHBondContact O-N 3.37Å; Y199-V403 HydrophobicContact CD2-CG1 3.64Å; Y199-V403 HydrophobicContact CE2-CG1 4.01Å; Y199-V403 HydrophobicContact CG-CG1 4.42Å; Y199-V403 WeakPolarHBondContact O-CG1 3.19Å; Y199-S406 WeakPolarHBondContact CA-OG 3.22Å; Y199-S406 WeakPolarHBondContact CB-OG 3.43Å; Y199-S406 PolarHBondContact N-OG 2.89Å; Y199-S406 VanDerWaalsContact N-OG 3.08Å; Y199-F723 HydrophobicContact CE2-CD1 4.32Å; Y199-F723 HydrophobicContact CE2-CD2 4.15Å; Y199-F723 AromaticContact CE2-CE1 3.98Å; Y199-F723 HydrophobicContact CE2-CE1 3.98Å; Y199-F723 AromaticContact CE2-CE2 3.81Å; Y199-F723 HydrophobicContact CE2-CE2 3.81Å; Y199-F723 HydrophobicContact CE2-CG 4.41Å; Y199-F723 AromaticContact CE2-CZ 3.72Å; Y199-F723 HydrophobicContact CE2-CZ 3.72Å; Y199-F723 WeakPolarHBondContact OH-CE2 3.43Å; Y199-K770 HydrophobicContact CE1-CG 4.21Å; Y199-K770 HydrophobicContact CE2-CG 4.47Å; Y199-K770 WeakPolarHBondContact O-CE 3.4Å; Y199-K770 PolarHBondContact O-NZ 3.49Å; Y199-K770 WeakPolarHBondContact OH-CG 3.41Å; Y199-F773 WeakPolarHBondContact OH-CD1 3.35Å
200H88.1Confident92.3Very high38 Ų3839.4 Ų39.418%0.17620%0.202CC..Hα-helixtrans-72.6-35.3177.9-72.3-65.8000115K170 L196 I198K170-H200 HydrophobicContact CB-CB 4.39Å; K170-H200 HydrophobicContact CD-CB 3.87Å; K170-H200 HydrophobicContact CG-CB 4.27Å; L196-H200 PolarHBondContact O-CD2 3.12Å; L196-H200 PolarHBondContact O-N 3.47Å; I198-H200 PolarHBondContact O-N 3.36Å; I198-H200 VanDerWaalsContact O-N 3.17Å
201G86.7Confident92.6Very high1 Ų135.7 Ų35.71%0.0119%0.188CC..Hα-helixtrans-122.6-23.3-167.800000118.2K170 R197 I198 R399K170-G201 WeakPolarHBondContact O-CA 3.46Å; R197-G201 PolarHBondContact O-N 2.78Å; I198-G201 PolarHBondContact O-N 2.66Å; G201-R399 PolarHBondContact O-NE 3.06Å; G201-R399 VanDerWaalsContact O-NE 3.15Å; G201-R399 PolarHBondContact O-NH2 3.35Å
202G93.6Very high93Very high0 Ų033.9 Ų33.90%018%0.176CC..  trans82.5-174.5-163.600000112.9P172 L173 I198P172-G202 WeakPolarHBondContact CA-O 3.48Å; L173-G202 PolarHBondContact N-O 3.36Å; I198-G202 PolarHBondContact O-N 2.8Å
203V95.9Very high93.4Very high4 Ų431.8 Ų31.82%0.02417%0.165CC..BIsolated β-bridgetrans-112.1142.8-177.8-170.30000110.3I198 L207 R208 V211 E402I198-V203 HydrophobicContact CD1-CG2 4.28Å; I198-V203 HydrophobicContact CG1-CG2 4.1Å; I198-V203 HydrophobicContact CG2-CG2 3.77Å; V203-L207 HydrophobicContact CG1-CB 3.71Å; V203-R208 HydrophobicContact CB-CG 4.47Å; V203-R208 HydrophobicContact CG1-CG 4.37Å; V203-V211 HydrophobicContact CG1-CB 3.92Å; V203-V211 HydrophobicContact CG1-CG1 4.01Å; V203-V211 HydrophobicContact CG1-CG2 4.1Å; V203-V211 HydrophobicContact CG2-CG1 3.79Å; V203-E402 HydrophobicContact CB-CG 4.33Å; V203-E402 HydrophobicContact CG2-CB 4.32Å; V203-E402 HydrophobicContact CG2-CG 3.83Å; V203-E402 PolarHBondContact N-OE2 3.11Å
204E95.1Very high93.6Very high71 Ų7128.7 Ų28.733%0.33215%0.149SC..  trans-63136.5170.3-169.3-171133.500110.2P172 L173 S206 L207 R208P172-E204 HydrophobicContact CB-CB 4.36Å; L173-E204 WeakPolarHBondContact O-CB 3.44Å; L173-E204 PolarHBondContact O-N 2.99Å; L173-E204 VanDerWaalsContact O-N 3.17Å; E204-S206 WeakPolarHBondContact CG-OG 3.42Å; E204-S206 PolarHBondContact O-N 3.39Å; E204-S206 PolarHBondContact OE1-OG 3.41Å; E204-L207 PolarHBondContact O-N 3.12Å; E204-R208 PolarHBondContact O-N 3.15Å
205P95.1Very high93.7Very high86 Ų8628.6 Ų28.656%0.55815%0.149SC*.THydrogen-bonded Turntrans-52.8-34.2-175.7-30.836.5000115.2L207 R208P205-L207 VanDerWaalsContact C-N 3.34Å; P205-L207 PolarHBondContact O-N 3.48Å; P205-R208 PolarHBondContact O-N 2.83Å
206S94.2Very high93.8Very high75 Ų7528 Ų2852%0.52415%0.147SC..THydrogen-bonded Turntrans-59.2-39.4175.456.60000113.3E204E204-S206 WeakPolarHBondContact CG-OG 3.42Å; E204-S206 PolarHBondContact O-N 3.39Å; E204-S206 PolarHBondContact OE1-OG 3.41Å
207L95.7Very high94Very high8 Ų827.2 Ų27.24%0.04214%0.143CC..THydrogen-bonded Turntrans-83.1-16.9-175.2-73.1-171.6000114.2L173 D175 F178 V203 E204 P205 K209 V210 V211L173-L207 HydrophobicContact CD2-CD1 4.4Å; L173-L207 HydrophobicContact CG-CD1 4.24Å; L173-L207 WeakPolarHBondContact O-CD1 3.48Å; D175-L207 HydrophobicContact CB-CD2 4.06Å; F178-L207 HydrophobicContact CB-CD1 3.81Å; F178-L207 HydrophobicContact CD1-CD2 4.33Å; F178-L207 HydrophobicContact CG-CD1 4.32Å; V203-L207 HydrophobicContact CG1-CB 3.71Å; E204-L207 PolarHBondContact O-N 3.12Å; P205-L207 VanDerWaalsContact C-N 3.34Å; P205-L207 PolarHBondContact O-N 3.48Å; L207-K209 VanDerWaalsContact C-N 3.28Å; L207-K209 PolarHBondContact O-N 2.88Å; L207-V210 PolarHBondContact O-N 3.25Å; L207-V211 HydrophobicContact CB-CG2 3.92Å; L207-V211 HydrophobicContact CD1-CG2 4.3Å; L207-V211 PolarHBondContact O-N 2.74Å
208R96.9Very high94.1Very high22 Ų2226.4 Ų26.48%0.08314%0.14CC..Hα-helixtrans-51.7-44.7-173-67-179.6169.5148.8-3.6112.7V203 E204 P205 V210 V211 W212 V318 L398 E402V203-R208 HydrophobicContact CB-CG 4.47Å; V203-R208 HydrophobicContact CG1-CG 4.37Å; E204-R208 PolarHBondContact O-N 3.15Å; P205-R208 PolarHBondContact O-N 2.83Å; R208-V210 PolarHBondContact O-N 2.82Å; R208-V211 PolarHBondContact O-N 2.76Å; R208-W212 HydrophobicContact CB-CG 4.39Å; R208-W212 WeakPolarHBondContact O-CB 3.21Å; R208-W212 PolarHBondContact O-N 2.93Å; R208-V318 HydrophobicContact CB-CG1 3.57Å; R208-V318 HydrophobicContact CB-CG2 4.4Å; R208-L398 VanDerWaalsContact NH1-CD1 3.33Å; R208-E402 WeakPolarHBondContact CD-OE1 3.49Å; R208-E402 WeakPolarHBondContact CG-OE1 3.36Å; R208-E402 IonicContact CZ-OE1 3.2Å; R208-E402 IonicContact NE-OE1 3.26Å; R208-E402 PolarHBondContact NE-OE1 3.08Å; R208-E402 IonicContact NH2-OE1 3.04Å
209K95.6Very high94Very high91 Ų9127.2 Ų27.240%0.39614%0.143SC..Hα-helixtrans-52.7-27.7176.6-77.5-175174.6-176.30114.1L207 R213 V318 M319 D320L207-K209 VanDerWaalsContact C-N 3.28Å; L207-K209 PolarHBondContact O-N 2.88Å; K209-R213 PolarHBondContact O-NE 3.07Å; K209-V318 WeakPolarHBondContact CE-O 3.19Å; K209-V318 WeakPolarHBondContact CG-O 3.36Å; K209-M319 WeakPolarHBondContact CE-O 3.39Å; K209-D320 IonicContact NZ-OD2 3.14Å; K209-D320 PolarHBondContact NZ-OD2 3.4Å
210V94Very high93.9Very high59 Ų5927.7 Ų27.736%0.35815%0.147SC..Hα-helixtrans-100.7-52.1178.7-177.70000111.4F178 L207 R208 W212 R213F178-V210 HydrophobicContact CE1-CG1 3.95Å; F178-V210 HydrophobicContact CZ-CG1 4.02Å; L207-V210 PolarHBondContact O-N 3.25Å; R208-V210 PolarHBondContact O-N 2.82Å; V210-W212 PolarHBondContact O-N 3.06Å; V210-R213 WeakPolarHBondContact O-CB 3.26Å; V210-R213 PolarHBondContact O-N 2.93Å
211V95.7Very high93.7Very high0 Ų031.4 Ų31.40%017%0.168CC..Hα-helixtrans-68.4-36.5-171.5172.80000112.3L173 F178 I198 V203 L207 R208 R213 Y214 L215L173-V211 HydrophobicContact CD2-CG2 4.26Å; F178-V211 HydrophobicContact CD2-CG2 3.96Å; F178-V211 HydrophobicContact CE2-CG2 3.98Å; F178-V211 HydrophobicContact CG-CG2 4.31Å; F178-V211 HydrophobicContact CZ-CG2 4.34Å; I198-V211 HydrophobicContact CD1-CG1 3.46Å; I198-V211 VanDerWaalsContact CD1-CG1 3.46Å; I198-V211 HydrophobicContact CG1-CG1 4.49Å; V203-V211 HydrophobicContact CG1-CB 3.92Å; V203-V211 HydrophobicContact CG1-CG1 4.01Å; V203-V211 HydrophobicContact CG1-CG2 4.1Å; V203-V211 HydrophobicContact CG2-CG1 3.79Å; L207-V211 HydrophobicContact CB-CG2 3.92Å; L207-V211 HydrophobicContact CD1-CG2 4.3Å; L207-V211 PolarHBondContact O-N 2.74Å; R208-V211 PolarHBondContact O-N 2.76Å; V211-R213 PolarHBondContact O-N 2.84Å; V211-R213 VanDerWaalsContact O-N 3.16Å; V211-Y214 PolarHBondContact O-N 3.27Å; V211-L215 HydrophobicContact CG1-CD1 4.41Å; V211-L215 HydrophobicContact CG1-CG 4.47Å; V211-L215 PolarHBondContact O-N 2.87Å
212W97.1Very high93.5Very high0 Ų033.3 Ų33.30%019%0.188CC..Hα-helixtrans-59.7-30179-76.727.3000112.2R208 V210 Y214 L215 L216 P314 I315 V318 M319 L398 E402 W405R208-W212 HydrophobicContact CB-CG 4.39Å; R208-W212 WeakPolarHBondContact O-CB 3.21Å; R208-W212 PolarHBondContact O-N 2.93Å; V210-W212 PolarHBondContact O-N 3.06Å; W212-Y214 PolarHBondContact O-N 3Å; W212-L215 PolarHBondContact O-N 2.6Å; W212-L215 VanDerWaalsContact O-N 3.12Å; W212-L216 VanDerWaalsContact O-CB 3.3Å; W212-L216 WeakPolarHBondContact O-CB 3.28Å; W212-L216 VanDerWaalsContact O-CG 3.25Å; W212-L216 WeakPolarHBondContact O-CG 3.48Å; W212-L216 PolarHBondContact O-N 3.28Å; W212-P314 HydrophobicContact CH2-CB 4.36Å; W212-I315 HydrophobicContact CZ3-CG1 4.17Å; W212-V318 HydrophobicContact CD2-CB 4.49Å; W212-V318 HydrophobicContact CD2-CG1 3.9Å; W212-V318 HydrophobicContact CD2-CG2 4.45Å; W212-V318 HydrophobicContact CE3-CB 4.05Å; W212-V318 HydrophobicContact CE3-CG1 3.83Å; W212-V318 HydrophobicContact CE3-CG2 4.19Å; W212-V318 HydrophobicContact CG-CG1 4.37Å; W212-V318 HydrophobicContact CH2-CB 4.5Å; W212-V318 HydrophobicContact CH2-CG2 3.82Å; W212-V318 HydrophobicContact CZ2-CG2 4.02Å; W212-V318 HydrophobicContact CZ3-CB 4.05Å; W212-V318 HydrophobicContact CZ3-CG1 4.33Å; W212-V318 HydrophobicContact CZ3-CG2 3.87Å; W212-M319 HydrophobicContact CB-CE 3.7Å; W212-L398 HydrophobicContact CH2-CB 4.41Å; W212-L398 HydrophobicContact CH2-CD2 3.6Å; W212-L398 HydrophobicContact CZ2-CB 4.1Å; W212-L398 HydrophobicContact CZ2-CD2 4.1Å; W212-E402 HydrophobicContact CZ2-CG 4.11Å; W212-E402 VanDerWaalsContact NE1-CG 3.31Å; W212-E402 PolarHBondContact NE1-OE1 3.26Å; W212-W405 HydrophobicContact CD2-CH2 4.5Å; W212-W405 AromaticContact CD2-CZ3 3.75Å; W212-W405 HydrophobicContact CD2-CZ3 3.75Å; W212-W405 AromaticContact CE3-CH2 3.92Å; W212-W405 HydrophobicContact CE3-CH2 3.92Å; W212-W405 AromaticContact CE3-CZ3 3.56Å; W212-W405 HydrophobicContact CE3-CZ3 3.56Å; W212-W405 HydrophobicContact CG-CZ3 4.32Å; W212-W405 AromaticContact CH2-CH2 3.94Å; W212-W405 HydrophobicContact CH2-CH2 3.94Å; W212-W405 HydrophobicContact CH2-CZ3 4.01Å; W212-W405 HydrophobicContact CZ2-CZ3 4.23Å; W212-W405 AromaticContact CZ3-CH2 3.61Å; W212-W405 HydrophobicContact CZ3-CH2 3.61Å; W212-W405 AromaticContact CZ3-CZ3 3.7Å; W212-W405 HydrophobicContact CZ3-CZ3 3.7Å
213R95.4Very high93.3Very high28 Ų2835.2 Ų35.211%0.10620%0.198CC..Hα-helixtrans-64.5-26.9176.9-57-179.1-174.7-163.3-9.1112.8K209 V210 V211 N217 V218 Y219 M319 H324K209-R213 PolarHBondContact O-NE 3.07Å; V210-R213 WeakPolarHBondContact O-CB 3.26Å; V210-R213 PolarHBondContact O-N 2.93Å; V211-R213 PolarHBondContact O-N 2.84Å; V211-R213 VanDerWaalsContact O-N 3.16Å; R213-N217 PolarHBondContact O-N 2.93Å; R213-V218 HydrophobicContact CB-CB 4.09Å; R213-V218 HydrophobicContact CB-CG2 4.4Å; R213-V218 WeakPolarHBondContact O-CB 3.3Å; R213-V218 PolarHBondContact O-N 3.41Å; R213-Y219 HydrophobicContact CB-CD2 4.04Å; R213-Y219 HydrophobicContact CB-CE2 3.51Å; R213-Y219 VanDerWaalsContact CD-OH 3.3Å; R213-Y219 WeakPolarHBondContact CD-OH 3.4Å; R213-Y219 HydrophobicContact CG-CE2 4.36Å; R213-Y219 PolarHBondContact NH1-OH 2.97Å; R213-M319 HydrophobicContact CG-CE 3.93Å; R213-M319 HydrophobicContact CG-SD 4.48Å; R213-H324 VanDerWaalsContact NH2-CG 3.31Å; R213-H324 PolarHBondContact NH2-ND1 2.88Å
214Y93.4Very high93.1Very high30 Ų3035.7 Ų35.712%0.11820%0.201CC..Hα-helixtrans-85.3-28.7172.9-67.5-81.8000113.2F178 L188 R195 V211 W212 Y219 R228F178-Y214 HydrophobicContact CE2-CE2 4.38Å; F178-Y214 AromaticContact CZ-CE2 3.96Å; F178-Y214 HydrophobicContact CZ-CE2 3.96Å; L188-Y214 HydrophobicContact CB-CE1 3.81Å; L188-Y214 HydrophobicContact CD2-CD1 3.48Å; L188-Y214 VanDerWaalsContact CD2-CD1 3.48Å; L188-Y214 HydrophobicContact CD2-CE1 3.56Å; L188-Y214 HydrophobicContact CD2-CG 4.18Å; L188-Y214 HydrophobicContact CG-CE1 4.31Å; R195-Y214 PolarHBondContact NH2-O 3.09Å; V211-Y214 PolarHBondContact O-N 3.27Å; W212-Y214 PolarHBondContact O-N 3Å; Y214-Y219 HydrophobicContact CD1-CD2 4.3Å; Y214-Y219 HydrophobicContact CE1-CD2 4.19Å; Y214-Y219 HydrophobicContact CE2-CD2 4.49Å; Y214-R228 PolarHBondContact OH-NE 2.67Å; Y214-R228 PolarHBondContact OH-NH1 2.75Å; Y214-R228 PolarHBondContact OH-NH2 2.87Å
215L94.1Very high92.8Very high3 Ų333.4 Ų33.42%0.01620%0.197CC..Hα-helixtrans-73-30.7172.6-63.4178.6000112R195 I198 V211 W212 E402 W405R195-L215 HydrophobicContact CG-CD2 4.25Å; R195-L215 PolarHBondContact NH2-O 3.22Å; I198-L215 HydrophobicContact CD1-CD1 4.43Å; I198-L215 HydrophobicContact CD1-CD2 3.89Å; I198-L215 HydrophobicContact CD1-CG 4.38Å; I198-L215 HydrophobicContact CG2-CD1 4.25Å; I198-L215 HydrophobicContact CG2-CD2 4.48Å; V211-L215 HydrophobicContact CG1-CD1 4.41Å; V211-L215 HydrophobicContact CG1-CG 4.47Å; V211-L215 PolarHBondContact O-N 2.87Å; W212-L215 PolarHBondContact O-N 2.6Å; W212-L215 VanDerWaalsContact O-N 3.12Å; L215-E402 HydrophobicContact CD1-CG 4.46Å; L215-W405 HydrophobicContact CB-CB 4.08Å; L215-W405 HydrophobicContact CB-CE3 4.23Å; L215-W405 HydrophobicContact CD1-CE3 4.49Å
216L94.9Very high92.6Very high1 Ų134.5 Ų34.51%0.00519%0.194CC..THydrogen-bonded Turntrans-97.114.6-179.8-60.5178.8000113.6W212 V218 I315 C328 G331 I332 W405W212-L216 VanDerWaalsContact O-CB 3.3Å; W212-L216 WeakPolarHBondContact O-CB 3.28Å; W212-L216 VanDerWaalsContact O-CG 3.25Å; W212-L216 WeakPolarHBondContact O-CG 3.48Å; W212-L216 PolarHBondContact O-N 3.28Å; L216-V218 VanDerWaalsContact C-N 3.26Å; L216-V218 HydrophobicContact CB-CG2 4.2Å; L216-V218 PolarHBondContact O-N 3.17Å; L216-V218 VanDerWaalsContact O-N 3.15Å; L216-I315 HydrophobicContact CD1-CD1 4.2Å; L216-C328 HydrophobicContact CD1-CB 3.8Å; L216-G331 WeakPolarHBondContact O-CA 3.07Å; L216-I332 HydrophobicContact CD2-CB 4.02Å; L216-I332 HydrophobicContact CD2-CD1 3.61Å; L216-I332 HydrophobicContact CD2-CG1 4.29Å; L216-W405 HydrophobicContact CD1-CH2 4.32Å; L216-W405 HydrophobicContact CD1-CZ3 4Å; L216-W405 HydrophobicContact CD2-CD2 3.83Å; L216-W405 HydrophobicContact CD2-CE3 3.6Å; L216-W405 HydrophobicContact CD2-CH2 3.98Å; L216-W405 HydrophobicContact CD2-CZ2 4.18Å; L216-W405 HydrophobicContact CD2-CZ3 3.69Å; L216-W405 HydrophobicContact CG-CE3 4.06Å; L216-W405 HydrophobicContact CG-CZ3 3.96Å
217N92.7Very high92.6Very high30 Ų3035.6 Ų35.616%0.1619%0.191CC..THydrogen-bonded Turntrans50.339.7176.3-60.3-22.4000114.1R195 R213 D411 P413R195-N217 PolarHBondContact NH2-OD1 3.36Å; R213-N217 PolarHBondContact O-N 2.93Å; N217-D411 VanDerWaalsContact CB-O 3.28Å; N217-D411 WeakPolarHBondContact CB-O 3.45Å; N217-D411 WeakPolarHBondContact ND2-CB 3.33Å; N217-D411 PolarHBondContact ND2-O 2.76Å; N217-P413 WeakPolarHBondContact O-CD 3.37Å
218V94.3Very high92.5Very high0 Ų036.4 Ų36.40%019%0.194CC..  trans-75.7-29.2-176.8169.80000112.7R213 L216 Y231 M232 I327 C328 V417R213-V218 HydrophobicContact CB-CB 4.09Å; R213-V218 HydrophobicContact CB-CG2 4.4Å; R213-V218 WeakPolarHBondContact O-CB 3.3Å; R213-V218 PolarHBondContact O-N 3.41Å; L216-V218 VanDerWaalsContact C-N 3.26Å; L216-V218 HydrophobicContact CB-CG2 4.2Å; L216-V218 PolarHBondContact O-N 3.17Å; L216-V218 VanDerWaalsContact O-N 3.15Å; V218-Y231 HydrophobicContact CG1-CE1 4.4Å; V218-Y231 WeakPolarHBondContact O-CE1 3.33Å; V218-Y231 PolarHBondContact O-OH 3.32Å; V218-Y231 VanDerWaalsContact O-OH 3.1Å; V218-M232 HydrophobicContact CG1-SD 3.88Å; V218-I327 HydrophobicContact CG1-CG2 3.64Å; V218-C328 HydrophobicContact CG2-CB 4.4Å; V218-V417 WeakPolarHBondContact O-CG2 3.3Å
219Y92.3Very high92.4Very high18 Ų1840.5 Ų40.57%0.07122%0.215CC..SBendtrans-101.9126.2-175.7-65.1-55.6000111.2R213 Y214 R228 Y231 M232R213-Y219 HydrophobicContact CB-CD2 4.04Å; R213-Y219 HydrophobicContact CB-CE2 3.51Å; R213-Y219 VanDerWaalsContact CD-OH 3.3Å; R213-Y219 WeakPolarHBondContact CD-OH 3.4Å; R213-Y219 HydrophobicContact CG-CE2 4.36Å; R213-Y219 PolarHBondContact NH1-OH 2.97Å; Y214-Y219 HydrophobicContact CD1-CD2 4.3Å; Y214-Y219 HydrophobicContact CE1-CD2 4.19Å; Y214-Y219 HydrophobicContact CE2-CD2 4.49Å; Y219-R228 HydrophobicContact CD1-CB 4Å; Y219-R228 HydrophobicContact CD1-CG 3.62Å; Y219-R228 HydrophobicContact CD2-CG 4.37Å; Y219-R228 HydrophobicContact CE1-CB 3.63Å; Y219-R228 HydrophobicContact CE1-CG 3.8Å; Y219-R228 HydrophobicContact CG-CG 3.93Å; Y219-Y231 AromaticContact CD1-CD1 3.91Å; Y219-Y231 HydrophobicContact CD1-CD1 3.91Å; Y219-Y231 HydrophobicContact CD1-CE1 4.19Å; Y219-Y231 HydrophobicContact CE1-CD1 4.05Å; Y219-M232 HydrophobicContact CE1-CG 3.92Å; Y219-M232 HydrophobicContact CE1-SD 3.76Å
220P90.1Very high92.4Very high16 Ų1639.4 Ų39.410%0.10421%0.214CC..PPolyproline II helixtrans-51.3154.2159.1-27.134.4000112.2L223 Y231 P413 T415P220-L223 HydrophobicContact CB-CD1 4.06Å; P220-L223 HydrophobicContact CB-CG 4.27Å; P220-L223 HydrophobicContact CG-CD1 4.12Å; P220-L223 WeakPolarHBondContact O-CG 3.17Å; P220-Y231 HydrophobicContact CG-CE2 4.17Å; P220-P413 WeakPolarHBondContact CA-O 3.28Å; P220-P413 HydrophobicContact CG-CG 4.21Å; P220-T415 WeakPolarHBondContact CG-O 3.39Å
221D83.9Confident92.4Very high117 Ų11737.7 Ų37.763%0.62620%0.201SC*.THydrogen-bonded Turntrans-69.8150.9-172.8-128-13.2000112.7L223 P412D221-L223 VanDerWaalsContact C-N 3.26Å; D221-L223 PolarHBondContact O-N 3.16Å; D221-L223 VanDerWaalsContact O-N 3.16Å; D221-P412 HydrophobicContact CB-CB 4.39Å; D221-P412 HydrophobicContact CB-CG 4.04Å; D221-P412 WeakPolarHBondContact OD2-CG 3.33Å
222G83.6Confident92.5Very high41 Ų4138 Ų3842%0.42320%0.202SC..THydrogen-bonded Turntrans71.7-2.8176.900000117.4Q187 S224Q187-G222 WeakPolarHBondContact CG-O 3.44Å; Q187-G222 PolarHBondContact NE2-O 2.94Å; G222-S224 PolarHBondContact O-N 3.44Å
223L89.1Confident92.5Very high39 Ų3942.9 Ų42.920%0.20422%0.224CC..  trans-63.9131.5-179.6-63.7-178.1000113.5P220 D221 E227 R228 Y231P220-L223 HydrophobicContact CB-CD1 4.06Å; P220-L223 HydrophobicContact CB-CG 4.27Å; P220-L223 HydrophobicContact CG-CD1 4.12Å; P220-L223 WeakPolarHBondContact O-CG 3.17Å; D221-L223 VanDerWaalsContact C-N 3.26Å; D221-L223 PolarHBondContact O-N 3.16Å; D221-L223 VanDerWaalsContact O-N 3.16Å; L223-E227 HydrophobicContact CB-CB 4.35Å; L223-E227 HydrophobicContact CD2-CB 4.17Å; L223-R228 HydrophobicContact CB-CG 3.55Å; L223-R228 HydrophobicContact CD1-CG 4.25Å; L223-R228 PolarHBondContact O-NE 2.88Å; L223-Y231 HydrophobicContact CD1-CG 4.44Å
224S92.3Very high92.5Very high15 Ų1545.7 Ų45.711%0.10524%0.237CC..  trans-68.3170.3175.2680000113.4Q185 G222 Q226 E227 R228Q185-S224 WeakPolarHBondContact O-CB 3.5Å; G222-S224 PolarHBondContact O-N 3.44Å; S224-Q226 VanDerWaalsContact C-N 3.29Å; S224-Q226 PolarHBondContact O-N 3.11Å; S224-E227 WeakPolarHBondContact CB-OE2 3.47Å; S224-E227 PolarHBondContact N-OE2 3.47Å; S224-E227 PolarHBondContact O-N 2.9Å; S224-E227 WeakPolarHBondContact OG-CB 3.44Å; S224-E227 VanDerWaalsContact OG-CD 3.23Å; S224-E227 VanDerWaalsContact OG-CG 3.28Å; S224-E227 WeakPolarHBondContact OG-CG 3.31Å; S224-E227 PolarHBondContact OG-N 3.24Å; S224-E227 PolarHBondContact OG-OE2 3.08Å; S224-R228 WeakPolarHBondContact O-CB 3.35Å; S224-R228 VanDerWaalsContact O-CG 3.26Å; S224-R228 WeakPolarHBondContact O-CG 3.46Å; S224-R228 PolarHBondContact O-N 3.1Å; S224-R228 PolarHBondContact O-NE 2.87Å
225G89.3Confident92.7Very high23 Ų2344.3 Ų44.324%0.23723%0.231CC..Hα-helixtrans-56.1-42.9175.500000112.7Q185 M229Q185-G225 PolarHBondContact O-N 3.17Å; G225-M229 WeakPolarHBondContact O-CG 3.38Å; G225-M229 PolarHBondContact O-N 3.12Å
226Q91.1Very high92.9Very high108 Ų10845.8 Ų45.851%0.50524%0.241SC..Hα-helixtrans-70.7-47.7179.2-176.660.343.900111.9S224 R228 M229 D230S224-Q226 VanDerWaalsContact C-N 3.29Å; S224-Q226 PolarHBondContact O-N 3.11Å; Q226-R228 VanDerWaalsContact C-N 3.28Å; Q226-R228 PolarHBondContact O-N 2.86Å; Q226-M229 WeakPolarHBondContact O-CA 3.3Å; Q226-M229 WeakPolarHBondContact O-CB 3.28Å; Q226-M229 PolarHBondContact O-N 2.98Å; Q226-D230 PolarHBondContact NE2-OD2 3.18Å; Q226-D230 PolarHBondContact O-N 2.93Å
227E94Very high93Very high98 Ų9853.7 Ų53.746%0.45827%0.27SS..Hα-helixtrans-61.5-37.7179.1-68.8160.1136.900111.4L223 S224 M229 D230 Y231L223-E227 HydrophobicContact CB-CB 4.35Å; L223-E227 HydrophobicContact CD2-CB 4.17Å; S224-E227 WeakPolarHBondContact CB-OE2 3.47Å; S224-E227 PolarHBondContact N-OE2 3.47Å; S224-E227 PolarHBondContact O-N 2.9Å; S224-E227 WeakPolarHBondContact OG-CB 3.44Å; S224-E227 VanDerWaalsContact OG-CD 3.23Å; S224-E227 VanDerWaalsContact OG-CG 3.28Å; S224-E227 WeakPolarHBondContact OG-CG 3.31Å; S224-E227 PolarHBondContact OG-N 3.24Å; S224-E227 PolarHBondContact OG-OE2 3.08Å; E227-M229 VanDerWaalsContact C-N 3.31Å; E227-M229 PolarHBondContact O-N 3.2Å; E227-D230 PolarHBondContact O-N 2.7Å; E227-Y231 WeakPolarHBondContact O-CB 3.44Å; E227-Y231 PolarHBondContact O-N 2.83Å
228R93.8Very high93.3Very high25 Ų2554.8 Ų54.89%0.09427%0.274CS..Hα-helixtrans-64.2-32.4173-72-174.8-62.4112.6-4.6112.8G186 Y214 Y219 L223 S224 Q226 M232G186-R228 PolarHBondContact O-NH2 2.91Å; Y214-R228 PolarHBondContact OH-NE 2.67Å; Y214-R228 PolarHBondContact OH-NH1 2.75Å; Y214-R228 PolarHBondContact OH-NH2 2.87Å; Y219-R228 HydrophobicContact CD1-CB 4Å; Y219-R228 HydrophobicContact CD1-CG 3.62Å; Y219-R228 HydrophobicContact CD2-CG 4.37Å; Y219-R228 HydrophobicContact CE1-CB 3.63Å; Y219-R228 HydrophobicContact CE1-CG 3.8Å; Y219-R228 HydrophobicContact CG-CG 3.93Å; L223-R228 HydrophobicContact CB-CG 3.55Å; L223-R228 HydrophobicContact CD1-CG 4.25Å; L223-R228 PolarHBondContact O-NE 2.88Å; S224-R228 WeakPolarHBondContact O-CB 3.35Å; S224-R228 VanDerWaalsContact O-CG 3.26Å; S224-R228 WeakPolarHBondContact O-CG 3.46Å; S224-R228 PolarHBondContact O-N 3.1Å; S224-R228 PolarHBondContact O-NE 2.87Å; Q226-R228 VanDerWaalsContact C-N 3.28Å; Q226-R228 PolarHBondContact O-N 2.86Å; R228-M232 VanDerWaalsContact O-CG 3.28Å; R228-M232 WeakPolarHBondContact O-CG 3.18Å; R228-M232 PolarHBondContact O-N 3.42Å
229M93Very high93.4Very high108 Ų10854.8 Ų54.853%0.53227%0.274SS..Hα-helixtrans-69.4-44.6172.9-70.3177.171.900111.6G225 Q226 E227 M232 K233G225-M229 WeakPolarHBondContact O-CG 3.38Å; G225-M229 PolarHBondContact O-N 3.12Å; Q226-M229 WeakPolarHBondContact O-CA 3.3Å; Q226-M229 WeakPolarHBondContact O-CB 3.28Å; Q226-M229 PolarHBondContact O-N 2.98Å; E227-M229 VanDerWaalsContact C-N 3.31Å; E227-M229 PolarHBondContact O-N 3.2Å; M229-M232 PolarHBondContact O-N 3.1Å; M229-K233 WeakPolarHBondContact O-CG 3.28Å; M229-K233 PolarHBondContact O-N 3.32Å; M229-K233 VanDerWaalsContact O-N 3.11Å
230D95.6Very high93.7Very high69 Ų6957.4 Ų57.437%0.36929%0.287SS..Hα-helixtrans-74.8-30.7-178.1-66.9-39.8000113Q226 E227 K233 K234Q226-D230 PolarHBondContact NE2-OD2 3.18Å; Q226-D230 PolarHBondContact O-N 2.93Å; E227-D230 PolarHBondContact O-N 2.7Å; D230-K233 CarbonylContact O-C 3.47Å; D230-K233 WeakPolarHBondContact O-CB 3.4Å; D230-K233 PolarHBondContact O-N 2.83Å; D230-K233 WeakPolarHBondContact OD1-CD 3.34Å; D230-K233 WeakPolarHBondContact OD1-CE 3.5Å; D230-K233 IonicContact OD1-NZ 2.67Å; D230-K233 PolarHBondContact OD1-NZ 2.88Å; D230-K234 PolarHBondContact O-N 3.48Å
231Y95.4Very high94Very high22 Ų2260.4 Ų60.49%0.08630%0.3CS..Hα-helixtrans-59.7-47.6167.7175.6-97.4000111.8V218 Y219 P220 L223 E227 K233 K234 K235 E416 V417V218-Y231 HydrophobicContact CG1-CE1 4.4Å; V218-Y231 WeakPolarHBondContact O-CE1 3.33Å; V218-Y231 PolarHBondContact O-OH 3.32Å; V218-Y231 VanDerWaalsContact O-OH 3.1Å; Y219-Y231 AromaticContact CD1-CD1 3.91Å; Y219-Y231 HydrophobicContact CD1-CD1 3.91Å; Y219-Y231 HydrophobicContact CD1-CE1 4.19Å; Y219-Y231 HydrophobicContact CE1-CD1 4.05Å; P220-Y231 HydrophobicContact CG-CE2 4.17Å; L223-Y231 HydrophobicContact CD1-CG 4.44Å; E227-Y231 WeakPolarHBondContact O-CB 3.44Å; E227-Y231 PolarHBondContact O-N 2.83Å; Y231-K233 VanDerWaalsContact C-N 3.31Å; Y231-K233 PolarHBondContact O-N 3.4Å; Y231-K234 WeakPolarHBondContact O-CB 3.25Å; Y231-K234 PolarHBondContact O-N 3.47Å; Y231-K234 VanDerWaalsContact O-N 3.08Å; Y231-K235 HydrophobicContact CE1-CG 4.23Å; Y231-K235 HydrophobicContact CE2-CG 4.16Å; Y231-K235 PolarHBondContact O-N 3.13Å; Y231-E416 HydrophobicContact CE2-CB 3.73Å; Y231-V417 PolarHBondContact OH-N 2.75Å
232M96.3Very high94.6Very high6 Ų655.1 Ų55.13%0.0327%0.272CS..Hα-helixtrans-62.2-38.8174.5-64.4-57-5700111.3V218 Y219 R228 M229 K234 K235 T236 H324 I327V218-M232 HydrophobicContact CG1-SD 3.88Å; Y219-M232 HydrophobicContact CE1-CG 3.92Å; Y219-M232 HydrophobicContact CE1-SD 3.76Å; R228-M232 VanDerWaalsContact O-CG 3.28Å; R228-M232 WeakPolarHBondContact O-CG 3.18Å; R228-M232 PolarHBondContact O-N 3.42Å; M229-M232 PolarHBondContact O-N 3.1Å; M232-K234 VanDerWaalsContact C-N 3.32Å; M232-K234 PolarHBondContact O-N 3.38Å; M232-K235 PolarHBondContact O-N 3.38Å; M232-T236 VanDerWaalsContact O-CB 3.28Å; M232-T236 WeakPolarHBondContact O-CB 3.36Å; M232-T236 PolarHBondContact O-N 3.5Å; M232-T236 PolarHBondContact O-OG1 2.8Å; M232-H324 HydrophobicContact CE-CB 4.48Å; M232-H324 VanDerWaalsContact CE-CD2 3.44Å; M232-H324 WeakPolarHBondContact CE-CD2 3.29Å; M232-I327 HydrophobicContact CE-CB 4.35Å; M232-I327 HydrophobicContact CE-CD1 3.61Å; M232-I327 HydrophobicContact CE-CG2 4.23Å
233K97Very high95.2Very high103 Ų10355.6 Ų55.645%0.44826%0.262SS..Hα-helixtrans-64.3-31.5173.2-64170.1-157.5164.10113.1M229 D230 Y231 R237M229-K233 WeakPolarHBondContact O-CG 3.28Å; M229-K233 PolarHBondContact O-N 3.32Å; M229-K233 VanDerWaalsContact O-N 3.11Å; D230-K233 CarbonylContact O-C 3.47Å; D230-K233 WeakPolarHBondContact O-CB 3.4Å; D230-K233 PolarHBondContact O-N 2.83Å; D230-K233 WeakPolarHBondContact OD1-CD 3.34Å; D230-K233 WeakPolarHBondContact OD1-CE 3.5Å; D230-K233 IonicContact OD1-NZ 2.67Å; D230-K233 PolarHBondContact OD1-NZ 2.88Å; Y231-K233 VanDerWaalsContact C-N 3.31Å; Y231-K233 PolarHBondContact O-N 3.4Å; K233-R237 WeakPolarHBondContact O-CG 3.42Å; K233-R237 PolarHBondContact O-NE 3.47Å
234K97.2Very high95.5Very high87 Ų8760.9 Ų60.938%0.37828%0.279SS..Hα-helixtrans-65.1-60.9170.4-179-164.7164.1-172.10109.4D230 Y231 M232 T236 R237 E238 E416D230-K234 PolarHBondContact O-N 3.48Å; Y231-K234 WeakPolarHBondContact O-CB 3.25Å; Y231-K234 PolarHBondContact O-N 3.47Å; Y231-K234 VanDerWaalsContact O-N 3.08Å; M232-K234 VanDerWaalsContact C-N 3.32Å; M232-K234 PolarHBondContact O-N 3.38Å; K234-T236 VanDerWaalsContact C-N 3.29Å; K234-T236 PolarHBondContact O-N 3.05Å; K234-R237 PolarHBondContact O-N 2.87Å; K234-E238 PolarHBondContact O-N 2.68Å; K234-E238 VanDerWaalsContact O-N 3.07Å; K234-E416 IonicContact NZ-OE1 3.25Å; K234-E416 PolarHBondContact NZ-OE1 3.2Å; K234-E416 IonicContact NZ-OE2 2.83Å; K234-E416 PolarHBondContact NZ-OE2 2.87Å
235K96.6Very high95.6Very high2 Ų262.6 Ų62.61%0.00929%0.285CS..Hα-helixtrans-64.6-28.6-173.7-71.9-77.9161.4-174.80113.3Y231 M232 E238 Y239 I327 E416 V417 L419Y231-K235 HydrophobicContact CE1-CG 4.23Å; Y231-K235 HydrophobicContact CE2-CG 4.16Å; Y231-K235 PolarHBondContact O-N 3.13Å; M232-K235 PolarHBondContact O-N 3.38Å; K235-E238 WeakPolarHBondContact CD-OE2 3.48Å; K235-E238 WeakPolarHBondContact CE-OE2 3.43Å; K235-E238 VanDerWaalsContact NZ-CD 3.25Å; K235-E238 IonicContact NZ-OE1 3.15Å; K235-E238 PolarHBondContact NZ-OE1 2.97Å; K235-E238 IonicContact NZ-OE2 2.64Å; K235-E238 PolarHBondContact NZ-OE2 3.04Å; K235-E238 WeakPolarHBondContact O-CB 3.44Å; K235-E238 PolarHBondContact O-N 2.96Å; K235-Y239 PolarHBondContact O-N 3.32Å; K235-I327 HydrophobicContact CB-CD1 3.52Å; K235-I327 HydrophobicContact CB-CG1 3.97Å; K235-E416 VanDerWaalsContact CE-OE1 3.26Å; K235-E416 WeakPolarHBondContact CE-OE1 3.39Å; K235-E416 VanDerWaalsContact CE-OE2 3.3Å; K235-E416 WeakPolarHBondContact CE-OE2 3.29Å; K235-E416 IonicContact NZ-OE1 3.69Å; K235-E416 PolarHBondContact NZ-OE1 3.05Å; K235-E416 IonicContact NZ-OE2 2.64Å; K235-V417 WeakPolarHBondContact CE-O 3.49Å; K235-V417 PolarHBondContact NZ-O 2.91Å; K235-L419 HydrophobicContact CB-CD1 4.36Å; K235-L419 HydrophobicContact CD-CD1 3.75Å; K235-L419 HydrophobicContact CD-CD2 4.29Å; K235-L419 HydrophobicContact CD-CG 3.84Å
236T97.9Very high95.9Very high34 Ų3462.6 Ų62.621%0.20928%0.279CS..Hα-helixtrans-63.3-46.3169.1-67.20000111.8M232 K234 E238 Y239 E240 A323M232-T236 VanDerWaalsContact O-CB 3.28Å; M232-T236 WeakPolarHBondContact O-CB 3.36Å; M232-T236 PolarHBondContact O-N 3.5Å; M232-T236 PolarHBondContact O-OG1 2.8Å; K234-T236 VanDerWaalsContact C-N 3.29Å; K234-T236 PolarHBondContact O-N 3.05Å; T236-E238 VanDerWaalsContact C-N 3.26Å; T236-E238 PolarHBondContact O-N 2.75Å; T236-Y239 PolarHBondContact O-N 2.66Å; T236-E240 VanDerWaalsContact O-CG 3.3Å; T236-E240 WeakPolarHBondContact O-CG 3.43Å; T236-E240 PolarHBondContact O-N 2.78Å; T236-A323 HydrophobicContact CG2-CB 3.76Å
237R98.1Very high95.8Very high167 Ų16762.9 Ų62.963%0.6329%0.288SS*.Hα-helixtrans-65.6-31.7177.4-73175.9-71.1166.1-0.1112.6K233 K234 Q241K233-R237 WeakPolarHBondContact O-CG 3.42Å; K233-R237 PolarHBondContact O-NE 3.47Å; K234-R237 PolarHBondContact O-N 2.87Å; R237-Q241 WeakPolarHBondContact O-CB 3.23Å; R237-Q241 PolarHBondContact O-N 2.78Å; R237-Q241 VanDerWaalsContact O-N 3.11Å
238E97.5Very high95.7Very high52 Ų5262.5 Ų62.524%0.24330%0.301CS..Hα-helixtrans-66.1-48.6173.6-163.5-179.9129.100111.1K234 K235 T236 E240 Q241 L242 L419K234-E238 PolarHBondContact O-N 2.68Å; K234-E238 VanDerWaalsContact O-N 3.07Å; K235-E238 WeakPolarHBondContact CD-OE2 3.48Å; K235-E238 WeakPolarHBondContact CE-OE2 3.43Å; K235-E238 VanDerWaalsContact NZ-CD 3.25Å; K235-E238 IonicContact NZ-OE1 3.15Å; K235-E238 PolarHBondContact NZ-OE1 2.97Å; K235-E238 IonicContact NZ-OE2 2.64Å; K235-E238 PolarHBondContact NZ-OE2 3.04Å; K235-E238 WeakPolarHBondContact O-CB 3.44Å; K235-E238 PolarHBondContact O-N 2.96Å; T236-E238 VanDerWaalsContact C-N 3.26Å; T236-E238 PolarHBondContact O-N 2.75Å; E238-E240 PolarHBondContact O-N 3.14Å; E238-Q241 WeakPolarHBondContact O-CB 3.45Å; E238-Q241 PolarHBondContact O-N 2.87Å; E238-Q241 VanDerWaalsContact O-N 3.12Å; E238-L242 WeakPolarHBondContact O-CG 3.25Å; E238-L242 PolarHBondContact O-N 3.11Å; E238-L419 HydrophobicContact CB-CD1 4.01Å; E238-L419 HydrophobicContact CG-CD1 4Å; E238-L419 WeakPolarHBondContact OE1-CD1 3.25Å; E238-L419 WeakPolarHBondContact OE1-CG 3.45Å
239Y97.8Very high95.6Very high0 Ų066.6 Ų66.60%032%0.316CS..Hα-helixtrans-55.9-50.2172.1174.3-105.5000112.7K235 T236 Q241 L242 K243 L291 T294 E322 A323 F326K235-Y239 PolarHBondContact O-N 3.32Å; T236-Y239 PolarHBondContact O-N 2.66Å; Y239-Q241 PolarHBondContact O-N 3.29Å; Y239-L242 PolarHBondContact O-N 3.01Å; Y239-L242 VanDerWaalsContact O-N 3.08Å; Y239-K243 HydrophobicContact CE1-CD 4.18Å; Y239-K243 PolarHBondContact O-N 3.16Å; Y239-L291 WeakPolarHBondContact OH-CA 3.44Å; Y239-T294 HydrophobicContact CD2-CG2 4.13Å; Y239-T294 HydrophobicContact CE2-CG2 3.68Å; Y239-E322 HydrophobicContact CE1-CG 4.05Å; Y239-E322 WeakPolarHBondContact CE1-OE1 3.37Å; Y239-E322 PolarHBondContact OH-OE1 3.35Å; Y239-A323 HydrophobicContact CD1-CB 3.53Å; Y239-A323 HydrophobicContact CE1-CB 4.26Å; Y239-A323 HydrophobicContact CG-CB 4.13Å; Y239-F326 HydrophobicContact CD2-CB 3.63Å; Y239-F326 AromaticContact CD2-CD1 3.27Å; Y239-F326 HydrophobicContact CD2-CD1 3.27Å; Y239-F326 AromaticContact CD2-CD2 3.68Å; Y239-F326 HydrophobicContact CD2-CD2 3.68Å; Y239-F326 AromaticContact CD2-CE1 3.75Å; Y239-F326 HydrophobicContact CD2-CE1 3.75Å; Y239-F326 HydrophobicContact CD2-CE2 4.11Å; Y239-F326 AromaticContact CD2-CG 3.22Å; Y239-F326 HydrophobicContact CD2-CG 3.22Å; Y239-F326 HydrophobicContact CD2-CZ 4.14Å; Y239-F326 HydrophobicContact CE2-CB 3.6Å; Y239-F326 AromaticContact CE2-CD1 3.88Å; Y239-F326 HydrophobicContact CE2-CD1 3.88Å; Y239-F326 AromaticContact CE2-CD2 3.35Å; Y239-F326 HydrophobicContact CE2-CD2 3.35Å; Y239-F326 HydrophobicContact CE2-CE1 4.39Å; Y239-F326 AromaticContact CE2-CE2 3.93Å; Y239-F326 HydrophobicContact CE2-CE2 3.93Å; Y239-F326 AromaticContact CE2-CG 3.31Å; Y239-F326 HydrophobicContact CE2-CG 3.31Å; Y239-F326 HydrophobicContact CE2-CZ 4.42Å; Y239-F326 HydrophobicContact CG-CB 4.26Å; Y239-F326 HydrophobicContact CG-CD1 4.1Å; Y239-F326 HydrophobicContact CG-CG 4.2Å
240E97.7Very high95.4Very high73 Ų7362.6 Ų62.634%0.34130%0.301SS..Hα-helixtrans-59.4-29.5178.7-70-62149.100112.3T236 E238 R244T236-E240 VanDerWaalsContact O-CG 3.3Å; T236-E240 WeakPolarHBondContact O-CG 3.43Å; T236-E240 PolarHBondContact O-N 2.78Å; E238-E240 PolarHBondContact O-N 3.14Å; E240-R244 WeakPolarHBondContact O-CG 3.38Å; E240-R244 PolarHBondContact O-N 2.96Å; E240-R244 PolarHBondContact O-NH1 2.98Å; E240-R244 PolarHBondContact O-NH2 3.2Å
241Q97.1Very high95.3Very high79 Ų7961.9 Ų61.937%0.36930%0.301SS..Hα-helixtrans-74.5-45.7173.9-174.560.620.700111.7R237 E238 Y239 K243 R244 E245R237-Q241 WeakPolarHBondContact O-CB 3.23Å; R237-Q241 PolarHBondContact O-N 2.78Å; R237-Q241 VanDerWaalsContact O-N 3.11Å; E238-Q241 WeakPolarHBondContact O-CB 3.45Å; E238-Q241 PolarHBondContact O-N 2.87Å; E238-Q241 VanDerWaalsContact O-N 3.12Å; Y239-Q241 PolarHBondContact O-N 3.29Å; Q241-K243 VanDerWaalsContact C-N 3.25Å; Q241-K243 PolarHBondContact O-N 2.82Å; Q241-R244 PolarHBondContact O-N 2.82Å; Q241-R244 VanDerWaalsContact O-N 3.08Å; Q241-R244 VanDerWaalsContact OE1-NE 3.14Å; Q241-E245 WeakPolarHBondContact CG-OE1 3.41Å; Q241-E245 PolarHBondContact NE2-OE1 3.24Å; Q241-E245 WeakPolarHBondContact O-CG 3.41Å; Q241-E245 PolarHBondContact O-N 2.9Å; Q241-E245 VanDerWaalsContact O-N 3.1Å
242L96.4Very high95.1Very high7 Ų767.5 Ų67.54%0.03733%0.328CS..Hα-helixtrans-58.8-37.5174.8-64.5169.4000111.9E238 Y239 E245 T294 T298 L419 V420E238-L242 WeakPolarHBondContact O-CG 3.25Å; E238-L242 PolarHBondContact O-N 3.11Å; Y239-L242 PolarHBondContact O-N 3.01Å; Y239-L242 VanDerWaalsContact O-N 3.08Å; L242-E245 PolarHBondContact O-N 2.76Å; L242-T294 HydrophobicContact CB-CG2 4.03Å; L242-T298 HydrophobicContact CB-CG2 4.08Å; L242-T298 HydrophobicContact CD1-CG2 4.23Å; L242-T298 HydrophobicContact CD2-CG2 3.95Å; L242-T298 HydrophobicContact CG-CG2 4.3Å; L242-L419 HydrophobicContact CD1-CB 3.69Å; L242-V420 HydrophobicContact CD1-CG2 3.94Å; L242-V420 HydrophobicContact CD2-CG2 3.63Å; L242-V420 HydrophobicContact CG-CG2 4.45Å
243K95.9Very high94.9Very high50 Ų5073.3 Ų73.322%0.21736%0.355CS..Hα-helixtrans-65.2-35.9174.6-172.2170.9-178.9172.20113.2Y239 Q241 E245 W246 D290 E322Y239-K243 HydrophobicContact CE1-CD 4.18Å; Y239-K243 PolarHBondContact O-N 3.16Å; Q241-K243 VanDerWaalsContact C-N 3.25Å; Q241-K243 PolarHBondContact O-N 2.82Å; K243-E245 VanDerWaalsContact C-N 3.31Å; K243-W246 HydrophobicContact CG-CZ2 3.91Å; K243-D290 WeakPolarHBondContact CE-OD2 3.4Å; K243-D290 VanDerWaalsContact NZ-CB 3.34Å; K243-D290 IonicContact NZ-OD2 2.78Å; K243-D290 PolarHBondContact NZ-OD2 3.15Å; K243-E322 WeakPolarHBondContact CD-OE1 3.47Å; K243-E322 WeakPolarHBondContact CE-OE1 3.28Å; K243-E322 VanDerWaalsContact NZ-CD 3.33Å; K243-E322 IonicContact NZ-OE1 3.72Å; K243-E322 PolarHBondContact NZ-OE1 3.33Å; K243-E322 IonicContact NZ-OE2 2.76Å; K243-E322 PolarHBondContact NZ-OE2 3.33Å; K243-E322 VanDerWaalsContact NZ-OE2 3.16Å
244R95.9Very high94.7Very high151 Ų15169.5 Ų69.557%0.5734%0.339SS*.Hα-helixtrans-73-21.3172.8-75.6-175.5-66.4-82.7-0.3113.6E240 Q241E240-R244 WeakPolarHBondContact O-CG 3.38Å; E240-R244 PolarHBondContact O-N 2.96Å; E240-R244 PolarHBondContact O-NH1 2.98Å; E240-R244 PolarHBondContact O-NH2 3.2Å; Q241-R244 PolarHBondContact O-N 2.82Å; Q241-R244 VanDerWaalsContact O-N 3.08Å; Q241-R244 VanDerWaalsContact OE1-NE 3.14Å
245E94.2Very high94.5Very high50 Ų5065.8 Ų65.823%0.23432%0.324CS..THydrogen-bonded Turntrans-94.42.7-173.4-74.4174.2-175.700114.6Q241 L242 K243 T247 A248 R249Q241-E245 WeakPolarHBondContact CG-OE1 3.41Å; Q241-E245 PolarHBondContact NE2-OE1 3.24Å; Q241-E245 WeakPolarHBondContact O-CG 3.41Å; Q241-E245 PolarHBondContact O-N 2.9Å; Q241-E245 VanDerWaalsContact O-N 3.1Å; L242-E245 PolarHBondContact O-N 2.76Å; K243-E245 VanDerWaalsContact C-N 3.31Å; E245-T247 VanDerWaalsContact C-N 3.32Å; E245-T247 PolarHBondContact O-N 3.48Å; E245-A248 CarbonylContact O-C 3.51Å; E245-A248 WeakPolarHBondContact O-CA 3.49Å; E245-A248 PolarHBondContact O-N 3.05Å; E245-R249 HydrophobicContact CB-CG 4.25Å; E245-R249 WeakPolarHBondContact O-CG 3.39Å; E245-R249 PolarHBondContact O-N 3.48Å; E245-R249 IonicContact OE2-CZ 3.54Å; E245-R249 IonicContact OE2-NE 3.61Å; E245-R249 PolarHBondContact OE2-NE 3.16Å; E245-R249 IonicContact OE2-NH2 3.62Å; E245-R249 PolarHBondContact OE2-NH2 2.99Å
246W94.3Very high94.4Very high24 Ų2470.5 Ų70.59%0.09135%0.346CS..Hα-helixtrans-48.8-48.5-177.4-68.3-7.9000113.6K243 A248 R249 A250 L255 D290 T293 T294 I297K243-W246 HydrophobicContact CG-CZ2 3.91Å; W246-A248 PolarHBondContact O-N 3.27Å; W246-R249 PolarHBondContact O-N 3.31Å; W246-R249 VanDerWaalsContact O-N 3.13Å; W246-A250 PolarHBondContact O-N 3.24Å; W246-L255 HydrophobicContact CB-CD1 3.79Å; W246-D290 HydrophobicContact CH2-CB 3.94Å; W246-D290 HydrophobicContact CZ2-CB 4.11Å; W246-D290 WeakPolarHBondContact CZ2-O 3.4Å; W246-T293 HydrophobicContact CD2-CG2 4.31Å; W246-T293 HydrophobicContact CE3-CG2 4.27Å; W246-T293 HydrophobicContact CH2-CG2 4.07Å; W246-T293 HydrophobicContact CZ2-CG2 4.09Å; W246-T293 HydrophobicContact CZ3-CG2 4.16Å; W246-T294 WeakPolarHBondContact CZ2-OG1 3.46Å; W246-T294 PolarHBondContact NE1-OG1 3.28Å; W246-I297 HydrophobicContact CB-CD1 3.86Å; W246-I297 HydrophobicContact CD2-CD1 4.27Å; W246-I297 HydrophobicContact CG-CD1 3.76Å
247T90.6Very high94.2Very high114 Ų11472 Ų7270%0.69935%0.349SS*.Hα-helixtrans-74.7-8.3-179.351.20000114.4E245 L255E245-T247 VanDerWaalsContact C-N 3.32Å; E245-T247 PolarHBondContact O-N 3.48Å; T247-L255 HydrophobicContact CG2-CD1 3.84Å
248A92.3Very high94Very high89 Ų8964.4 Ų64.474%0.73632%0.322SS*.Hα-helixtrans-98.9-11.7170.400000112.5E245 W246E245-A248 CarbonylContact O-C 3.51Å; E245-A248 WeakPolarHBondContact O-CA 3.49Å; E245-A248 PolarHBondContact O-N 3.05Å; W246-A248 PolarHBondContact O-N 3.27Å
249R90.2Very high93.9Very high111 Ų11165.9 Ų65.942%0.41933%0.325SS..Hα-helixtrans-110.6-20.1-176.4-70.3174.5175-88.2-2.7113.9E245 W246 I297E245-R249 HydrophobicContact CB-CG 4.25Å; E245-R249 WeakPolarHBondContact O-CG 3.39Å; E245-R249 PolarHBondContact O-N 3.48Å; E245-R249 IonicContact OE2-CZ 3.54Å; E245-R249 IonicContact OE2-NE 3.61Å; E245-R249 PolarHBondContact OE2-NE 3.16Å; E245-R249 IonicContact OE2-NH2 3.62Å; E245-R249 PolarHBondContact OE2-NH2 2.99Å; W246-R249 PolarHBondContact O-N 3.31Å; W246-R249 VanDerWaalsContact O-N 3.13Å; R249-I297 HydrophobicContact CB-CG2 3.6Å
250A90.3Very high93.8Very high24 Ų2467.2 Ų67.220%0.19834%0.338CS..SBendtrans-136.7153.1176.600000110.8W246 D254 I297W246-A250 PolarHBondContact O-N 3.24Å; A250-D254 HydrophobicContact CB-CB 4.48Å; A250-I297 HydrophobicContact CB-CD1 4.41Å; A250-I297 HydrophobicContact CB-CG1 4.24Å; A250-I297 HydrophobicContact CB-CG2 4.18Å
251S92.6Very high93.7Very high55 Ų5565.4 Ų65.439%0.38533%0.331SS..  trans-67.3158.9170.887.40000110.6E253 D254 L255S251-E253 VanDerWaalsContact C-N 3.28Å; S251-E253 PolarHBondContact O-N 3.45Å; S251-E253 PolarHBondContact OG-N 2.84Å; S251-D254 WeakPolarHBondContact CB-OD2 3.5Å; S251-D254 PolarHBondContact O-N 2.8Å; S251-D254 VanDerWaalsContact OG-CG 3.3Å; S251-D254 PolarHBondContact OG-N 2.77Å; S251-D254 VanDerWaalsContact OG-N 3.15Å; S251-D254 PolarHBondContact OG-OD2 3.14Å; S251-L255 VanDerWaalsContact O-CB 3.32Å; S251-L255 WeakPolarHBondContact O-CB 3.27Å; S251-L255 PolarHBondContact O-N 3.46Å
252H91.4Very high93.7Very high140 Ų14061.6 Ų61.665%0.64831%0.314SS*.Hα-helixtrans-61.2-38.1178.2-175.925.9000112.2E256H252-E256 VanDerWaalsContact CE1-CG 3.48Å; H252-E256 WeakPolarHBondContact CE1-CG 3.39Å; H252-E256 IonicContact CE1-OE1 2.81Å; H252-E256 WeakPolarHBondContact O-CG 3.35Å; H252-E256 PolarHBondContact O-N 3.35Å
253E92.4Very high93.7Very high128 Ų12864.9 Ų64.960%0.59833%0.331SS*.Hα-helixtrans-64.7-45.5175.9-70.2-174.6-139.300112.1S251 F257 R451S251-E253 VanDerWaalsContact C-N 3.28Å; S251-E253 PolarHBondContact O-N 3.45Å; S251-E253 PolarHBondContact OG-N 2.84Å; E253-F257 WeakPolarHBondContact O-CB 3.43Å; E253-F257 PolarHBondContact O-N 2.91Å; E253-R451 IonicContact OE2-NH2 2.73Å; E253-R451 PolarHBondContact OE2-NH2 3.5Å
254D91.3Very high93.7Very high22 Ų2268.9 Ų68.912%0.11835%0.348CS..Hα-helixtrans-64.8-41.3178.4-65.3-65.9000111.2A250 S251 F257 I258 Q450A250-D254 HydrophobicContact CB-CB 4.48Å; S251-D254 WeakPolarHBondContact CB-OD2 3.5Å; S251-D254 PolarHBondContact O-N 2.8Å; S251-D254 VanDerWaalsContact OG-CG 3.3Å; S251-D254 PolarHBondContact OG-N 2.77Å; S251-D254 VanDerWaalsContact OG-N 3.15Å; S251-D254 PolarHBondContact OG-OD2 3.14Å; D254-F257 PolarHBondContact O-N 3.24Å; D254-I258 VanDerWaalsContact O-CB 3.28Å; D254-I258 WeakPolarHBondContact O-CB 3.32Å; D254-I258 WeakPolarHBondContact O-CG1 3.34Å; D254-I258 PolarHBondContact O-N 2.85Å; D254-Q450 PolarHBondContact OD1-NE2 3.24Å; D254-Q450 PolarHBondContact OD2-NE2 3.36Å
255L94.3Very high93.7Very high9 Ų962 Ų625%0.04732%0.323CS..Hα-helixtrans-62.5-50.8179.2-170.6164.6000111.3W246 T247 S251 F257 I258 R259 I297W246-L255 HydrophobicContact CB-CD1 3.79Å; T247-L255 HydrophobicContact CG2-CD1 3.84Å; S251-L255 VanDerWaalsContact O-CB 3.32Å; S251-L255 WeakPolarHBondContact O-CB 3.27Å; S251-L255 PolarHBondContact O-N 3.46Å; L255-F257 VanDerWaalsContact C-N 3.34Å; L255-F257 PolarHBondContact O-N 3.16Å; L255-I258 PolarHBondContact O-N 3.02Å; L255-R259 WeakPolarHBondContact O-CB 3.28Å; L255-R259 PolarHBondContact O-N 2.88Å; L255-I297 HydrophobicContact CG-CD1 4.21Å
256E93.9Very high93.8Very high102 Ų10259.7 Ų59.748%0.47731%0.312SS..Hα-helixtrans-63.2-39.9177.5-71.2-59.4135.100111.8H252 G260H252-E256 VanDerWaalsContact CE1-CG 3.48Å; H252-E256 WeakPolarHBondContact CE1-CG 3.39Å; H252-E256 IonicContact CE1-OE1 2.81Å; H252-E256 WeakPolarHBondContact O-CG 3.35Å; H252-E256 PolarHBondContact O-N 3.35Å; E256-G260 PolarHBondContact O-N 2.8Å
257F93.6Very high93.9Very high64 Ų6461 Ų6128%0.28132%0.32SS..Hα-helixtrans-67.2-45.6178.1174.2-92.1000112.6E253 D254 L255 G260 N261 H454E253-F257 WeakPolarHBondContact O-CB 3.43Å; E253-F257 PolarHBondContact O-N 2.91Å; D254-F257 PolarHBondContact O-N 3.24Å; L255-F257 VanDerWaalsContact C-N 3.34Å; L255-F257 PolarHBondContact O-N 3.16Å; F257-G260 PolarHBondContact O-N 3.14Å; F257-N261 VanDerWaalsContact CE1-ND2 3.28Å; F257-N261 WeakPolarHBondContact CE1-ND2 3.28Å; F257-N261 WeakPolarHBondContact CZ-ND2 3.22Å; F257-N261 PolarHBondContact O-N 2.87Å; F257-N261 VanDerWaalsContact O-N 3.09Å; F257-N261 PolarHBondContact O-ND2 3.22Å; F257-H454 HydrophobicContact CE1-CB 3.47Å; F257-H454 VanDerWaalsContact CE1-CB 3.47Å; F257-H454 AromaticContact CE1-CD2 3.61Å; F257-H454 AromaticContact CE1-CG 3.68Å; F257-H454 HydrophobicContact CZ-CB 3.93Å
258I94.7Very high94Very high9 Ų959.3 Ų59.35%0.04630%0.301CS..Hα-helixtrans-60.7-52174.6-73.1167.2000109.7D254 L255 G260 N261 V262 A296 I297D254-I258 VanDerWaalsContact O-CB 3.28Å; D254-I258 WeakPolarHBondContact O-CB 3.32Å; D254-I258 WeakPolarHBondContact O-CG1 3.34Å; D254-I258 PolarHBondContact O-N 2.85Å; L255-I258 PolarHBondContact O-N 3.02Å; I258-G260 VanDerWaalsContact C-N 3.31Å; I258-G260 PolarHBondContact O-N 3.32Å; I258-N261 PolarHBondContact O-N 2.99Å; I258-N261 VanDerWaalsContact O-N 3.09Å; I258-V262 HydrophobicContact CG2-CG2 4.39Å; I258-V262 WeakPolarHBondContact O-CG2 3.46Å; I258-V262 PolarHBondContact O-N 2.67Å; I258-A296 HydrophobicContact CG2-CB 3.54Å; I258-I297 HydrophobicContact CD1-CG1 4.47Å
259R95.8Very high94.2Very high82 Ų8255 Ų5531%0.30927%0.266SS..Hα-helixtrans-62.7-38.2-178.3-164.2176.2-158.5-168.76.1112L255 N261 V262 L263 T289 D290 T293L255-R259 WeakPolarHBondContact O-CB 3.28Å; L255-R259 PolarHBondContact O-N 2.88Å; R259-N261 VanDerWaalsContact C-N 3.33Å; R259-N261 PolarHBondContact O-N 3.48Å; R259-V262 PolarHBondContact O-N 3.1Å; R259-L263 VanDerWaalsContact O-CB 3.28Å; R259-L263 WeakPolarHBondContact O-CB 3.48Å; R259-L263 PolarHBondContact O-N 3.39Å; R259-T289 HydrophobicContact CG-CG2 4.12Å; R259-D290 IonicContact CZ-OD1 2.94Å; R259-D290 IonicContact NE-OD1 3.59Å; R259-D290 IonicContact NH2-OD1 2.66Å; R259-D290 PolarHBondContact NH2-OD1 3.5Å; R259-T293 HydrophobicContact CB-CG2 4.24Å; R259-T293 HydrophobicContact CG-CG2 4.33Å
260G95.8Very high94.4Very high28 Ų2849.9 Ų49.929%0.28925%0.247SC..Hα-helixtrans-64.1-33.8174.200000113.5E256 F257 I258 K264E256-G260 PolarHBondContact O-N 2.8Å; F257-G260 PolarHBondContact O-N 3.14Å; I258-G260 VanDerWaalsContact C-N 3.31Å; I258-G260 PolarHBondContact O-N 3.32Å; G260-K264 WeakPolarHBondContact O-CD 3.46Å; G260-K264 WeakPolarHBondContact O-CE 3.39Å; G260-K264 VanDerWaalsContact O-CG 3.28Å; G260-K264 WeakPolarHBondContact O-CG 3.42Å; G260-K264 PolarHBondContact O-N 3.42Å
261N94.4Very high94.6Very high35 Ų3552 Ų5219%0.18725%0.25CC..Hα-helixtrans-77.8-37.9174.9-69.6-26.4000112.6F257 I258 R259 K264 Y304F257-N261 VanDerWaalsContact CE1-ND2 3.28Å; F257-N261 WeakPolarHBondContact CE1-ND2 3.28Å; F257-N261 WeakPolarHBondContact CZ-ND2 3.22Å; F257-N261 PolarHBondContact O-N 2.87Å; F257-N261 VanDerWaalsContact O-N 3.09Å; F257-N261 PolarHBondContact O-ND2 3.22Å; I258-N261 PolarHBondContact O-N 2.99Å; I258-N261 VanDerWaalsContact O-N 3.09Å; R259-N261 VanDerWaalsContact C-N 3.33Å; R259-N261 PolarHBondContact O-N 3.48Å; N261-K264 PolarHBondContact OD1-NZ 3.32Å; N261-Y304 HydrophobicContact CB-CD1 4.5Å
262V97.5Very high94.5Very high0 Ų053.7 Ų53.70%027%0.267CS..Hα-helixtrans-57.7-48.9169.31720000110.6I258 R259 K264 D265 V266 T289 L292 Y304I258-V262 HydrophobicContact CG2-CG2 4.39Å; I258-V262 WeakPolarHBondContact O-CG2 3.46Å; I258-V262 PolarHBondContact O-N 2.67Å; R259-V262 PolarHBondContact O-N 3.1Å; V262-K264 PolarHBondContact O-N 2.94Å; V262-D265 WeakPolarHBondContact O-CB 3.42Å; V262-D265 PolarHBondContact O-N 3.1Å; V262-D265 VanDerWaalsContact O-N 3.1Å; V262-V266 HydrophobicContact CG1-CG2 3.94Å; V262-V266 WeakPolarHBondContact O-CG2 3.48Å; V262-V266 PolarHBondContact O-N 2.63Å; V262-T289 HydrophobicContact CG1-CG2 4Å; V262-L292 HydrophobicContact CG1-CB 3.62Å; V262-L292 HydrophobicContact CG1-CD1 4.05Å; V262-L292 HydrophobicContact CG1-CG 4.49Å; V262-L292 HydrophobicContact CG2-CB 4.1Å; V262-Y304 HydrophobicContact CG2-CD1 4.05Å; V262-Y304 HydrophobicContact CG2-CD2 3.59Å; V262-Y304 HydrophobicContact CG2-CE2 4.09Å; V262-Y304 HydrophobicContact CG2-CG 3.58Å
263L96.6Very high94.6Very high75 Ų7549 Ų4939%0.39325%0.245SC..Hα-helixtrans-62.3-42.7-174.3-176.261.7000112.5R259 D265 V266 L267R259-L263 VanDerWaalsContact O-CB 3.28Å; R259-L263 WeakPolarHBondContact O-CB 3.48Å; R259-L263 PolarHBondContact O-N 3.39Å; L263-D265 PolarHBondContact O-N 3.2Å; L263-V266 PolarHBondContact O-N 2.8Å; L263-L267 HydrophobicContact CD1-CD1 4.18Å; L263-L267 HydrophobicContact CD1-CD2 4.22Å; L263-L267 HydrophobicContact CD1-CG 3.94Å; L263-L267 HydrophobicContact CG-CD1 4.01Å; L263-L267 HydrophobicContact CG-CG 4.22Å; L263-L267 WeakPolarHBondContact O-CG 3.2Å; L263-L267 PolarHBondContact O-N 2.91Å
264K95Very high94.7Very high134 Ų13448.1 Ų48.158%0.58325%0.251SS*.Hα-helixtrans-53.6-39.8174.2-69.5163.2-162.2167.20112.3G260 N261 V262 R268G260-K264 WeakPolarHBondContact O-CD 3.46Å; G260-K264 WeakPolarHBondContact O-CE 3.39Å; G260-K264 VanDerWaalsContact O-CG 3.28Å; G260-K264 WeakPolarHBondContact O-CG 3.42Å; G260-K264 PolarHBondContact O-N 3.42Å; N261-K264 PolarHBondContact OD1-NZ 3.32Å; V262-K264 PolarHBondContact O-N 2.94Å; K264-R268 WeakPolarHBondContact O-CG 3.49Å
265D96.1Very high94.9Very high8 Ų848.9 Ų48.94%0.04325%0.252CS..Hα-helixtrans-77.2-41.3178.2-95.612.6000112.5V262 L263 R268 T269 Y304 Q306 G307V262-D265 WeakPolarHBondContact O-CB 3.42Å; V262-D265 PolarHBondContact O-N 3.1Å; V262-D265 VanDerWaalsContact O-N 3.1Å; L263-D265 PolarHBondContact O-N 3.2Å; D265-R268 VanDerWaalsContact CG-NH2 3.3Å; D265-R268 VanDerWaalsContact O-CG 3.25Å; D265-R268 WeakPolarHBondContact O-CG 3.36Å; D265-R268 PolarHBondContact O-N 3.47Å; D265-R268 IonicContact OD1-CZ 3.66Å; D265-R268 IonicContact OD1-NE 2.74Å; D265-R268 PolarHBondContact OD1-NE 3.44Å; D265-R268 IonicContact OD1-NH2 3.79Å; D265-R268 PolarHBondContact OD1-NH2 3Å; D265-R268 IonicContact OD2-NH2 2.75Å; D265-R268 PolarHBondContact OD2-NH2 3.23Å; D265-T269 WeakPolarHBondContact O-CB 3.3Å; D265-T269 PolarHBondContact O-N 2.74Å; D265-T269 VanDerWaalsContact O-N 3.09Å; D265-T269 PolarHBondContact O-OG1 3.38Å; D265-Y304 HydrophobicContact CB-CE1 4.29Å; D265-Y304 WeakPolarHBondContact CB-OH 3.32Å; D265-Y304 PolarHBondContact OD2-OH 3.04Å; D265-Q306 WeakPolarHBondContact OD2-CA 3.32Å; D265-Q306 VanDerWaalsContact OD2-CG 3.3Å; D265-Q306 WeakPolarHBondContact OD2-CG 3.19Å; D265-G307 PolarHBondContact OD2-N 3.01Å
266V97.1Very high95Very high0 Ų048.5 Ų48.50%025%0.25CC..Hα-helixtrans-62.1-45.1178.21690000111.6V262 L263 R268 T269 L285 L288 L292V262-V266 HydrophobicContact CG1-CG2 3.94Å; V262-V266 WeakPolarHBondContact O-CG2 3.48Å; V262-V266 PolarHBondContact O-N 2.63Å; L263-V266 PolarHBondContact O-N 2.8Å; V266-R268 PolarHBondContact O-N 2.95Å; V266-T269 WeakPolarHBondContact O-CB 3.49Å; V266-T269 PolarHBondContact O-N 2.99Å; V266-L285 HydrophobicContact CG1-CB 3.9Å; V266-L285 HydrophobicContact CG1-CD2 3.64Å; V266-L285 HydrophobicContact CG1-CG 4.31Å; V266-L288 HydrophobicContact CG1-CB 4.31Å; V266-L288 HydrophobicContact CG1-CD2 4.23Å; V266-L288 HydrophobicContact CG2-CB 4.32Å; V266-L288 HydrophobicContact CG2-CD2 4.08Å; V266-L288 HydrophobicContact CG2-CG 3.93Å; V266-L292 HydrophobicContact CG2-CD1 3.93Å
267L95.4Very high95Very high51 Ų5146 Ų4627%0.26725%0.247SC..Hα-helixtrans-61.5-26.5-179.7-67.5176.5000113.6L263 R271 E280L263-L267 HydrophobicContact CD1-CD1 4.18Å; L263-L267 HydrophobicContact CD1-CD2 4.22Å; L263-L267 HydrophobicContact CD1-CG 3.94Å; L263-L267 HydrophobicContact CG-CD1 4.01Å; L263-L267 HydrophobicContact CG-CG 4.22Å; L263-L267 WeakPolarHBondContact O-CG 3.2Å; L263-L267 PolarHBondContact O-N 2.91Å; L267-R271 VanDerWaalsContact O-CD 3.23Å; L267-R271 WeakPolarHBondContact O-CD 3.38Å; L267-R271 WeakPolarHBondContact O-CG 3.11Å; L267-R271 PolarHBondContact O-NE 2.73Å; L267-E280 HydrophobicContact CD2-CB 3.73Å; L267-E280 HydrophobicContact CD2-CG 3.84Å
268R93.8Very high94.8Very high79 Ų7945.7 Ų45.730%0.29826%0.262SS..THydrogen-bonded Turntrans-98.80.917570.4-173.9-170.18712.4114.4K264 D265 V266K264-R268 WeakPolarHBondContact O-CG 3.49Å; D265-R268 VanDerWaalsContact CG-NH2 3.3Å; D265-R268 VanDerWaalsContact O-CG 3.25Å; D265-R268 WeakPolarHBondContact O-CG 3.36Å; D265-R268 PolarHBondContact O-N 3.47Å; D265-R268 IonicContact OD1-CZ 3.66Å; D265-R268 IonicContact OD1-NE 2.74Å; D265-R268 PolarHBondContact OD1-NE 3.44Å; D265-R268 IonicContact OD1-NH2 3.79Å; D265-R268 PolarHBondContact OD1-NH2 3Å; D265-R268 IonicContact OD2-NH2 2.75Å; D265-R268 PolarHBondContact OD2-NH2 3.23Å; V266-R268 PolarHBondContact O-N 2.95Å
269T95.3Very high94.6Very high0 Ų048.7 Ų48.70%028%0.284CS..SBendtrans-84.9120-177.2-67.10000111.2D265 V266 R271 L288 S309D265-T269 WeakPolarHBondContact O-CB 3.3Å; D265-T269 PolarHBondContact O-N 2.74Å; D265-T269 VanDerWaalsContact O-N 3.09Å; D265-T269 PolarHBondContact O-OG1 3.38Å; V266-T269 WeakPolarHBondContact O-CB 3.49Å; V266-T269 PolarHBondContact O-N 2.99Å; T269-R271 PolarHBondContact O-N 2.99Å; T269-L288 HydrophobicContact CG2-CD2 4.12Å; T269-S309 WeakPolarHBondContact OG1-CB 3.42Å; T269-S309 PolarHBondContact OG1-OG 2.86Å
270D94.6Very high94.3Very high3 Ų350.2 Ų50.22%0.01629%0.294CS..SBendtrans41.227.6171.8-70.3-37.7000118.5A272 H273 Y276 S313 K389 F394 R758D270-A272 PolarHBondContact O-N 2.78Å; D270-H273 HydrophobicContact CB-CB 4.46Å; D270-H273 VanDerWaalsContact O-CB 3.32Å; D270-H273 WeakPolarHBondContact O-CB 3.26Å; D270-H273 PolarHBondContact O-N 2.83Å; D270-Y276 HydrophobicContact CB-CD2 3.99Å; D270-S313 PolarHBondContact OD2-OG 3.48Å; D270-K389 IonicContact OD1-NZ 2.64Å; D270-K389 IonicContact OD2-NZ 2.64Å; D270-K389 PolarHBondContact OD2-NZ 2.89Å; D270-F394 HydrophobicContact CB-CD2 4.42Å; D270-F394 HydrophobicContact CB-CE2 4.24Å; D270-F394 WeakPolarHBondContact OD2-CE2 3.38Å; D270-R758 IonicContact OD1-CZ 2.67Å; D270-R758 IonicContact OD1-NH2 3.16Å; D270-R758 PolarHBondContact OD1-NH2 3.21Å
271R94.3Very high94Very high68 Ų6855.8 Ų55.826%0.25732%0.317SS..THydrogen-bonded Turntrans-55.7-13.7-177.3-57.2-74.2-88.8127-1.9116.2L267 T269 Y276 G278L267-R271 VanDerWaalsContact O-CD 3.23Å; L267-R271 WeakPolarHBondContact O-CD 3.38Å; L267-R271 WeakPolarHBondContact O-CG 3.11Å; L267-R271 PolarHBondContact O-NE 2.73Å; T269-R271 PolarHBondContact O-N 2.99Å; R271-Y276 WeakPolarHBondContact CD-O 3.45Å; R271-Y276 PolarHBondContact NH1-O 3.42Å; R271-G278 PolarHBondContact NH1-O 3.4Å; R271-G278 PolarHBondContact NH2-O 3.17Å
272A91.9Very high93.9Very high90 Ų9054.5 Ų54.574%0.74431%0.311SS*.THydrogen-bonded Turntrans-83.4-13.6172.900000113.9D270D270-A272 PolarHBondContact O-N 2.78Å
273H93.4Very high93.8Very high42 Ų4258.9 Ų58.919%0.19434%0.34CS..SBendtrans-84.3133.5174.5-179.7-110.4000109.6D270 Y275 Y276 A277 F394D270-H273 HydrophobicContact CB-CB 4.46Å; D270-H273 VanDerWaalsContact O-CB 3.32Å; D270-H273 WeakPolarHBondContact O-CB 3.26Å; D270-H273 PolarHBondContact O-N 2.83Å; H273-Y275 WeakPolarHBondContact ND1-CB 3.27Å; H273-Y275 PolarHBondContact O-N 2.73Å; H273-Y276 CarbonylContact O-C 3.58Å; H273-Y276 PolarHBondContact O-N 2.83Å; H273-A277 PolarHBondContact O-N 3.24Å; H273-F394 HydrophobicContact CB-CD2 4.19Å; H273-F394 HydrophobicContact CB-CE2 4.48Å; H273-F394 HydrophobicContact CB-CG 4.43Å; H273-F394 AromaticContact CD2-CD1 3.51Å; H273-F394 AromaticContact CD2-CE1 3.95Å; H273-F394 AromaticContact CD2-CG 3.67Å; H273-F394 AromaticContact CE1-CD1 3.89Å; H273-F394 AromaticContact CE1-CE1 3.53Å; H273-F394 AromaticContact CE1-CZ 3.93Å; H273-F394 AromaticContact CG-CG 3.96Å; H273-F394 AromaticContact ND1-CE1 3.89Å; H273-F394 AromaticContact ND1-CZ 3.86Å; H273-F394 AromaticContact NE2-CD1 3.47Å; H273-F394 WeakPolarHBondContact NE2-CD1 3.44Å; H273-F394 AromaticContact NE2-CE1 3.59Å
274P94.7Very high93.8Very high110 Ų11058.1 Ų58.171%0.71433%0.334SS*.G310 helixtrans-54.8-31.1-172.1-30.336.8000115.7Y276 A277P274-Y276 VanDerWaalsContact C-N 3.27Å; P274-Y276 PolarHBondContact O-N 3.31Å; P274-A277 PolarHBondContact O-N 3Å
275Y95.6Very high93.9Very high38 Ų3851.9 Ų51.915%0.14931%0.307CS..G310 helixtrans-63.2-31.6176.3-164.8-97.8000112.9H273 H284 L316 A317 D320H273-Y275 WeakPolarHBondContact ND1-CB 3.27Å; H273-Y275 PolarHBondContact O-N 2.73Å; Y275-H284 HydrophobicContact CD1-CB 3.94Å; Y275-H284 AromaticContact CD1-CG 3.96Å; Y275-H284 HydrophobicContact CE1-CB 3.63Å; Y275-H284 AromaticContact CE1-CD2 3.86Å; Y275-H284 AromaticContact CE1-CG 3.62Å; Y275-H284 AromaticContact CE2-CD2 3.94Å; Y275-H284 AromaticContact CE2-NE2 3.88Å; Y275-H284 AromaticContact CZ-CD2 3.5Å; Y275-H284 AromaticContact CZ-CG 3.74Å; Y275-H284 AromaticContact CZ-NE2 3.93Å; Y275-H284 PolarHBondContact O-ND1 2.99Å; Y275-H284 PolarHBondContact OH-CD2 3.4Å; Y275-L316 HydrophobicContact CE1-CG 4.12Å; Y275-A317 HydrophobicContact CD1-CB 3.93Å; Y275-A317 HydrophobicContact CE1-CB 4.36Å; Y275-A317 HydrophobicContact CG-CB 4.12Å; Y275-D320 WeakPolarHBondContact CE2-OD1 3.18Å; Y275-D320 PolarHBondContact OH-OD1 3.37Å
276Y96.3Very high94Very high0 Ų054.6 Ų54.60%032%0.324CS..G310 helixtrans-108.813.7179.5-60.5-64000113.1D270 R271 H273 P274 H284 L285 L288 S313 L316 A317D270-Y276 HydrophobicContact CB-CD2 3.99Å; R271-Y276 WeakPolarHBondContact CD-O 3.45Å; R271-Y276 PolarHBondContact NH1-O 3.42Å; H273-Y276 CarbonylContact O-C 3.58Å; H273-Y276 PolarHBondContact O-N 2.83Å; P274-Y276 VanDerWaalsContact C-N 3.27Å; P274-Y276 PolarHBondContact O-N 3.31Å; Y276-H284 HydrophobicContact CD1-CB 4.16Å; Y276-H284 HydrophobicContact CE1-CB 4.16Å; Y276-L285 HydrophobicContact CD1-CD2 3.83Å; Y276-L288 HydrophobicContact CE1-CD2 4.19Å; Y276-S313 WeakPolarHBondContact CE2-OG 3.37Å; Y276-S313 WeakPolarHBondContact OH-CA 3.39Å; Y276-S313 PolarHBondContact OH-O 2.85Å; Y276-L316 HydrophobicContact CE1-CD2 4.33Å; Y276-L316 WeakPolarHBondContact OH-CB 3.21Å; Y276-A317 HydrophobicContact CE2-CB 4.25Å
277A92.6Very high94Very high50 Ų5055.2 Ų55.241%0.41333%0.329SS..  trans-85.3156.7176.400000111.6H273 P274H273-A277 PolarHBondContact O-N 3.24Å; P274-A277 PolarHBondContact O-N 3Å
278G90.9Very high94.1Very high58 Ų5852.8 Ų52.860%0.59832%0.317SS*.SBendtrans100.1-152.8179.300000113.7R271R271-G278 PolarHBondContact NH1-O 3.4Å; R271-G278 PolarHBondContact NH2-O 3.17Å
279S90.6Very high94.3Very high72 Ų7249.5 Ų49.550%0.50331%0.305SS..  trans-60.1159-176.652.10000113.3S282S279-S282 VanDerWaalsContact O-CB 3.31Å; S279-S282 WeakPolarHBondContact O-CB 3.49Å; S279-S282 PolarHBondContact O-N 3.09Å; S279-S282 PolarHBondContact O-OG 2.84Å
280E88.8Confident94.5Very high113 Ų11350.2 Ų50.253%0.52831%0.309SS..THydrogen-bonded Turntrans-72-36.3174.2-60.1-166.915800110.4L267 S282L267-E280 HydrophobicContact CD2-CB 3.73Å; L267-E280 HydrophobicContact CD2-CG 3.84Å; E280-S282 PolarHBondContact O-N 3.34Å
281D88.4Confident94.6Very high145 Ų14550 Ų5078%0.77531%0.308SS*.THydrogen-bonded Turntrans-71.722.3170.2-40.3-83.4000114.1
282S93.2Very high94.8Very high9 Ų946.8 Ų46.86%0.06330%0.296CS..  trans-74.8138.6177.557.70000110.6S279 E280 H284 L285 T286S279-S282 VanDerWaalsContact O-CB 3.31Å; S279-S282 WeakPolarHBondContact O-CB 3.49Å; S279-S282 PolarHBondContact O-N 3.09Å; S279-S282 PolarHBondContact O-OG 2.84Å; E280-S282 PolarHBondContact O-N 3.34Å; S282-H284 PolarHBondContact O-N 2.94Å; S282-L285 PolarHBondContact O-N 3.43Å; S282-L285 WeakPolarHBondContact OG-CD1 3.37Å; S282-L285 WeakPolarHBondContact OG-CG 3.47Å; S282-T286 PolarHBondContact O-N 3.5Å; S282-T286 PolarHBondContact O-OG1 2.68Å
283P95.8Very high95.1Very high92 Ų9242.5 Ų42.560%0.59726%0.26SS*.Hα-helixtrans-61.4-24.7-172.924.3-34.9000113A287P283-A287 VanDerWaalsContact O-CB 3.24Å; P283-A287 WeakPolarHBondContact O-CB 3.45Å; P283-A287 PolarHBondContact O-N 2.67Å
284H96.5Very high95.3Very high59 Ų5940.5 Ų40.527%0.27325%0.251SS..Hα-helixtrans-71.8-33.6175.7-48.9140.5000112.8Y275 Y276 S282 L288Y275-H284 HydrophobicContact CD1-CB 3.94Å; Y275-H284 AromaticContact CD1-CG 3.96Å; Y275-H284 HydrophobicContact CE1-CB 3.63Å; Y275-H284 AromaticContact CE1-CD2 3.86Å; Y275-H284 AromaticContact CE1-CG 3.62Å; Y275-H284 AromaticContact CE2-CD2 3.94Å; Y275-H284 AromaticContact CE2-NE2 3.88Å; Y275-H284 AromaticContact CZ-CD2 3.5Å; Y275-H284 AromaticContact CZ-CG 3.74Å; Y275-H284 AromaticContact CZ-NE2 3.93Å; Y275-H284 PolarHBondContact O-ND1 2.99Å; Y275-H284 PolarHBondContact OH-CD2 3.4Å; Y276-H284 HydrophobicContact CD1-CB 4.16Å; Y276-H284 HydrophobicContact CE1-CB 4.16Å; S282-H284 PolarHBondContact O-N 2.94Å; H284-L288 WeakPolarHBondContact O-CB 3.26Å; H284-L288 PolarHBondContact O-N 3.29Å; H284-L288 VanDerWaalsContact O-N 3.09Å
285L96.9Very high95.5Very high3 Ų335.3 Ų35.32%0.01622%0.217CC..Hα-helixtrans-77.2-36.4172.6-64.8177.7000111.2V266 Y276 S282 L288 T289V266-L285 HydrophobicContact CG1-CB 3.9Å; V266-L285 HydrophobicContact CG1-CD2 3.64Å; V266-L285 HydrophobicContact CG1-CG 4.31Å; Y276-L285 HydrophobicContact CD1-CD2 3.83Å; S282-L285 PolarHBondContact O-N 3.43Å; S282-L285 WeakPolarHBondContact OG-CD1 3.37Å; S282-L285 WeakPolarHBondContact OG-CG 3.47Å; L285-L288 PolarHBondContact O-N 3.42Å; L285-T289 WeakPolarHBondContact O-CB 3.42Å; L285-T289 PolarHBondContact O-N 3.41Å; L285-T289 PolarHBondContact O-OG1 2.91Å
286T96.9Very high95.5Very high64 Ų6433.5 Ų33.539%0.39321%0.21SC..Hα-helixtrans-59.7-49.9170.8-43.70000111S282 L288 T289 D290S282-T286 PolarHBondContact O-N 3.5Å; S282-T286 PolarHBondContact O-OG1 2.68Å; T286-L288 VanDerWaalsContact C-N 3.34Å; T286-L288 PolarHBondContact O-N 3.36Å; T286-T289 WeakPolarHBondContact O-CB 3.41Å; T286-T289 PolarHBondContact O-N 3.21Å; T286-D290 WeakPolarHBondContact O-CB 3.25Å; T286-D290 PolarHBondContact O-N 3.3Å
287A98.1Very high95.4Very high14 Ų1434.1 Ų34.112%0.11621%0.214CC..Hα-helixtrans-61.4-39.417800000112.6P283 L291 L316 E322P283-A287 VanDerWaalsContact O-CB 3.24Å; P283-A287 WeakPolarHBondContact O-CB 3.45Å; P283-A287 PolarHBondContact O-N 2.67Å; A287-L291 WeakPolarHBondContact O-CB 3.3Å; A287-L291 PolarHBondContact O-N 3.11Å; A287-L316 HydrophobicContact CB-CD2 4.24Å; A287-E322 HydrophobicContact CB-CB 4.16Å; A287-E322 HydrophobicContact CB-CG 4.01Å
288L98.3Very high95.5Very high0 Ų031.9 Ų31.90%020%0.195CC..Hα-helixtrans-66.4-41.1175.4-168.561.1000111.7V266 T269 Y276 H284 L285 T286 L292 A312 L316V266-L288 HydrophobicContact CG1-CB 4.31Å; V266-L288 HydrophobicContact CG1-CD2 4.23Å; V266-L288 HydrophobicContact CG2-CB 4.32Å; V266-L288 HydrophobicContact CG2-CD2 4.08Å; V266-L288 HydrophobicContact CG2-CG 3.93Å; T269-L288 HydrophobicContact CG2-CD2 4.12Å; Y276-L288 HydrophobicContact CE1-CD2 4.19Å; H284-L288 WeakPolarHBondContact O-CB 3.26Å; H284-L288 PolarHBondContact O-N 3.29Å; H284-L288 VanDerWaalsContact O-N 3.09Å; L285-L288 PolarHBondContact O-N 3.42Å; T286-L288 VanDerWaalsContact C-N 3.34Å; T286-L288 PolarHBondContact O-N 3.36Å; L288-L292 HydrophobicContact CD1-CD1 4.17Å; L288-L292 HydrophobicContact CG-CD1 4.02Å; L288-L292 WeakPolarHBondContact O-CB 3.35Å; L288-L292 WeakPolarHBondContact O-CD1 3.21Å; L288-L292 VanDerWaalsContact O-CG 3.23Å; L288-L292 WeakPolarHBondContact O-CG 3.37Å; L288-L292 PolarHBondContact O-N 3.28Å; L288-L292 VanDerWaalsContact O-N 3.16Å; L288-A312 HydrophobicContact CD1-CB 3.59Å; L288-L316 HydrophobicContact CB-CD2 3.74Å; L288-L316 HydrophobicContact CD1-CD2 3.99Å; L288-L316 HydrophobicContact CG-CD2 4.42Å
289T98.1Very high95.7Very high10 Ų1029.7 Ų29.76%0.06117%0.169CC..Hα-helixtrans-63.4-48.6176.6-57.10000111.3R259 V262 L285 T286 L292 T293R259-T289 HydrophobicContact CG-CG2 4.12Å; V262-T289 HydrophobicContact CG1-CG2 4Å; L285-T289 WeakPolarHBondContact O-CB 3.42Å; L285-T289 PolarHBondContact O-N 3.41Å; L285-T289 PolarHBondContact O-OG1 2.91Å; T286-T289 WeakPolarHBondContact O-CB 3.41Å; T286-T289 PolarHBondContact O-N 3.21Å; T289-L292 PolarHBondContact O-N 3.09Å; T289-T293 VanDerWaalsContact O-CB 3.27Å; T289-T293 WeakPolarHBondContact O-CB 3.3Å; T289-T293 PolarHBondContact O-N 3.42Å; T289-T293 PolarHBondContact O-OG1 3Å
290D98.1Very high95.6Very high14 Ų1428.4 Ų28.48%0.07516%0.159CC..Hα-helixtrans-70.5-36.3-176.3-72.2-0.9000112.1K243 W246 R259 T286 T294K243-D290 WeakPolarHBondContact CE-OD2 3.4Å; K243-D290 VanDerWaalsContact NZ-CB 3.34Å; K243-D290 IonicContact NZ-OD2 2.78Å; K243-D290 PolarHBondContact NZ-OD2 3.15Å; W246-D290 HydrophobicContact CH2-CB 3.94Å; W246-D290 HydrophobicContact CZ2-CB 4.11Å; W246-D290 WeakPolarHBondContact CZ2-O 3.4Å; R259-D290 IonicContact CZ-OD1 2.94Å; R259-D290 IonicContact NE-OD1 3.59Å; R259-D290 IonicContact NH2-OD1 2.66Å; R259-D290 PolarHBondContact NH2-OD1 3.5Å; T286-D290 WeakPolarHBondContact O-CB 3.25Å; T286-D290 PolarHBondContact O-N 3.3Å; D290-T294 WeakPolarHBondContact O-CB 3.36Å; D290-T294 PolarHBondContact O-N 3.15Å; D290-T294 PolarHBondContact O-OG1 2.91Å
291L98.1Very high95.5Very high0 Ų025.4 Ų25.40%015%0.145CC..Hα-helixtrans-60-50.1172.6176.2154.6000111.8Y239 A287 T294 F295 A312 E322 T325 F326 F329Y239-L291 WeakPolarHBondContact OH-CA 3.44Å; A287-L291 WeakPolarHBondContact O-CB 3.3Å; A287-L291 PolarHBondContact O-N 3.11Å; L291-T294 PolarHBondContact O-N 2.77Å; L291-F295 PolarHBondContact O-N 2.91Å; L291-A312 HydrophobicContact CD2-CB 4.05Å; L291-E322 HydrophobicContact CB-CG 4.37Å; L291-T325 VanDerWaalsContact CD1-CB 3.47Å; L291-T325 HydrophobicContact CD1-CG2 3.33Å; L291-F326 HydrophobicContact CD1-CB 4.08Å; L291-F326 HydrophobicContact CG-CB 4.09Å; L291-F326 HydrophobicContact CG-CD2 4.21Å; L291-F329 HydrophobicContact CD2-CB 4.39Å; L291-F329 HydrophobicContact CD2-CD1 4.19Å; L291-F329 HydrophobicContact CD2-CG 4.15Å
292L98.3Very high95.6Very high0 Ų018.9 Ų18.90%011%0.11CC..Hα-helixtrans-70.1-36.9-178.3-68.8167.8000111.5V262 V266 L288 T289 F295 A296 Y304 M308 A312 F329V262-L292 HydrophobicContact CG1-CB 3.62Å; V262-L292 HydrophobicContact CG1-CD1 4.05Å; V262-L292 HydrophobicContact CG1-CG 4.49Å; V262-L292 HydrophobicContact CG2-CB 4.1Å; V266-L292 HydrophobicContact CG2-CD1 3.93Å; L288-L292 HydrophobicContact CD1-CD1 4.17Å; L288-L292 HydrophobicContact CG-CD1 4.02Å; L288-L292 WeakPolarHBondContact O-CB 3.35Å; L288-L292 WeakPolarHBondContact O-CD1 3.21Å; L288-L292 VanDerWaalsContact O-CG 3.23Å; L288-L292 WeakPolarHBondContact O-CG 3.37Å; L288-L292 PolarHBondContact O-N 3.28Å; L288-L292 VanDerWaalsContact O-N 3.16Å; T289-L292 PolarHBondContact O-N 3.09Å; L292-F295 PolarHBondContact O-N 3.09Å; L292-A296 VanDerWaalsContact O-CB 3.23Å; L292-A296 WeakPolarHBondContact O-CB 3.43Å; L292-A296 PolarHBondContact O-N 2.82Å; L292-Y304 HydrophobicContact CB-CD2 4.29Å; L292-Y304 HydrophobicContact CB-CE2 4.22Å; L292-Y304 HydrophobicContact CD1-CE2 4.09Å; L292-Y304 HydrophobicContact CD2-CE2 4.12Å; L292-Y304 HydrophobicContact CG-CE2 4.37Å; L292-M308 HydrophobicContact CD2-CB 4.27Å; L292-A312 HydrophobicContact CD2-CB 3.87Å; L292-A312 HydrophobicContact CG-CB 4.4Å; L292-F329 HydrophobicContact CD2-CE1 4.24Å; L292-F329 HydrophobicContact CD2-CE2 4.49Å; L292-F329 HydrophobicContact CD2-CZ 3.98Å
293T97.9Very high95.6Very high0 Ų018.7 Ų18.70%011%0.109CC..Hα-helixtrans-63.7-43.9173.6-55.60000110.8W246 R259 T289 F295 A296 I297W246-T293 HydrophobicContact CD2-CG2 4.31Å; W246-T293 HydrophobicContact CE3-CG2 4.27Å; W246-T293 HydrophobicContact CH2-CG2 4.07Å; W246-T293 HydrophobicContact CZ2-CG2 4.09Å; W246-T293 HydrophobicContact CZ3-CG2 4.16Å; R259-T293 HydrophobicContact CB-CG2 4.24Å; R259-T293 HydrophobicContact CG-CG2 4.33Å; T289-T293 VanDerWaalsContact O-CB 3.27Å; T289-T293 WeakPolarHBondContact O-CB 3.3Å; T289-T293 PolarHBondContact O-N 3.42Å; T289-T293 PolarHBondContact O-OG1 3Å; T293-F295 PolarHBondContact O-N 3.37Å; T293-A296 PolarHBondContact O-N 2.76Å; T293-I297 HydrophobicContact CG2-CD1 3.92Å; T293-I297 WeakPolarHBondContact O-CG1 3.44Å; T293-I297 PolarHBondContact O-N 3.25Å; T293-I297 VanDerWaalsContact O-N 3.11Å
294T97.8Very high95.6Very high0 Ų015.1 Ų15.10%08%0.083CC..Hα-helixtrans-60.9-47.4175.4-54.30000111Y239 L242 W246 D290 L291 A296 I297 T298 F326Y239-T294 HydrophobicContact CD2-CG2 4.13Å; Y239-T294 HydrophobicContact CE2-CG2 3.68Å; L242-T294 HydrophobicContact CB-CG2 4.03Å; W246-T294 WeakPolarHBondContact CZ2-OG1 3.46Å; W246-T294 PolarHBondContact NE1-OG1 3.28Å; D290-T294 WeakPolarHBondContact O-CB 3.36Å; D290-T294 PolarHBondContact O-N 3.15Å; D290-T294 PolarHBondContact O-OG1 2.91Å; L291-T294 PolarHBondContact O-N 2.77Å; T294-A296 VanDerWaalsContact C-N 3.33Å; T294-A296 PolarHBondContact O-N 3.49Å; T294-I297 PolarHBondContact O-N 2.91Å; T294-T298 HydrophobicContact CG2-CG2 4.2Å; T294-T298 WeakPolarHBondContact O-CG2 2.98Å; T294-T298 PolarHBondContact O-N 3.3Å; T294-T298 PolarHBondContact O-OG1 2.88Å; T294-F326 HydrophobicContact CG2-CD2 4.46Å; T294-F326 HydrophobicContact CG2-CE2 3.8Å; T294-F326 HydrophobicContact CG2-CZ 4.1Å
295F97.6Very high95.4Very high0 Ų013.3 Ų13.30%08%0.077CC..Hα-helixtrans-60.7-45.1179.2-178-85.1000111.3L291 L292 T293 I297 T298 H299 I302 M308 F326 F329 M333L291-F295 PolarHBondContact O-N 2.91Å; L292-F295 PolarHBondContact O-N 3.09Å; T293-F295 PolarHBondContact O-N 3.37Å; F295-I297 VanDerWaalsContact C-N 3.25Å; F295-I297 PolarHBondContact O-N 3.29Å; F295-T298 PolarHBondContact O-N 2.75Å; F295-H299 HydrophobicContact CD1-CB 4.34Å; F295-H299 AromaticContact CD2-CE1 3.58Å; F295-H299 AromaticContact CD2-ND1 3.52Å; F295-H299 HydrophobicContact CE1-CB 3.88Å; F295-H299 HydrophobicContact CE2-CB 4.36Å; F295-H299 AromaticContact CE2-CD2 3.6Å; F295-H299 AromaticContact CE2-CE1 3.52Å; F295-H299 AromaticContact CE2-CG 3.62Å; F295-H299 AromaticContact CE2-ND1 3.55Å; F295-H299 AromaticContact CE2-NE2 3.56Å; F295-H299 AromaticContact CG-ND1 3.94Å; F295-H299 HydrophobicContact CZ-CB 3.89Å; F295-H299 AromaticContact CZ-CD2 3.73Å; F295-H299 AromaticContact CZ-CG 3.62Å; F295-H299 AromaticContact CZ-ND1 3.99Å; F295-H299 WeakPolarHBondContact O-CB 3.3Å; F295-H299 PolarHBondContact O-N 2.77Å; F295-H299 PolarHBondContact O-ND1 2.81Å; F295-I302 HydrophobicContact CZ-CD1 4.48Å; F295-M308 HydrophobicContact CD1-CE 3.46Å; F295-M308 VanDerWaalsContact CD1-CE 3.46Å; F295-M308 HydrophobicContact CE1-CE 3.49Å; F295-M308 VanDerWaalsContact CE1-CE 3.49Å; F295-M308 HydrophobicContact CG-CE 4.47Å; F295-F326 HydrophobicContact CB-CE2 3.92Å; F295-F329 HydrophobicContact CB-CD1 4.24Å; F295-F329 HydrophobicContact CB-CE1 4.12Å; F295-F329 AromaticContact CD1-CE1 3.96Å; F295-F329 HydrophobicContact CD1-CE1 3.96Å; F295-F329 AromaticContact CD2-CD1 3.64Å; F295-F329 HydrophobicContact CD2-CD1 3.64Å; F295-F329 AromaticContact CD2-CE1 3.73Å; F295-F329 HydrophobicContact CD2-CE1 3.73Å; F295-F329 HydrophobicContact CE1-CE1 4.35Å; F295-F329 HydrophobicContact CE2-CD1 4.18Å; F295-F329 HydrophobicContact CE2-CE1 4.13Å; F295-F329 AromaticContact CG-CD1 3.92Å; F295-F329 HydrophobicContact CG-CD1 3.92Å; F295-F329 AromaticContact CG-CE1 3.64Å; F295-F329 HydrophobicContact CG-CE1 3.64Å; F295-F329 HydrophobicContact CZ-CE1 4.44Å; F295-M333 HydrophobicContact CE1-CE 3.98Å; F295-M333 HydrophobicContact CE1-CG 4.38Å; F295-M333 HydrophobicContact CE2-CB 3.79Å; F295-M333 HydrophobicContact CE2-CG 3.77Å; F295-M333 HydrophobicContact CZ-CB 3.74Å; F295-M333 HydrophobicContact CZ-CE 3.87Å; F295-M333 HydrophobicContact CZ-CG 3.67Å
296A96Very high95.1Very high1 Ų116.4 Ų16.41%0.0089%0.092CC..Hα-helixtrans-64.7-27.2-177.500000114I258 L292 T293 T294 S303I258-A296 HydrophobicContact CG2-CB 3.54Å; L292-A296 VanDerWaalsContact O-CB 3.23Å; L292-A296 WeakPolarHBondContact O-CB 3.43Å; L292-A296 PolarHBondContact O-N 2.82Å; T293-A296 PolarHBondContact O-N 2.76Å; T294-A296 VanDerWaalsContact C-N 3.33Å; T294-A296 PolarHBondContact O-N 3.49Å; A296-S303 WeakPolarHBondContact O-CA 3.42Å; A296-S303 WeakPolarHBondContact O-CB 3.47Å; A296-S303 PolarHBondContact O-OG 2.69Å
297I94.8Very high94.9Very high13 Ų1313.6 Ų13.67%0.0678%0.075CC..Hα-helixtrans-85.7-37.4174.1-66.7169.9000111.2W246 R249 A250 L255 I258 T293 T294 F295W246-I297 HydrophobicContact CB-CD1 3.86Å; W246-I297 HydrophobicContact CD2-CD1 4.27Å; W246-I297 HydrophobicContact CG-CD1 3.76Å; R249-I297 HydrophobicContact CB-CG2 3.6Å; A250-I297 HydrophobicContact CB-CD1 4.41Å; A250-I297 HydrophobicContact CB-CG1 4.24Å; A250-I297 HydrophobicContact CB-CG2 4.18Å; L255-I297 HydrophobicContact CG-CD1 4.21Å; I258-I297 HydrophobicContact CD1-CG1 4.47Å; T293-I297 HydrophobicContact CG2-CD1 3.92Å; T293-I297 WeakPolarHBondContact O-CG1 3.44Å; T293-I297 PolarHBondContact O-N 3.25Å; T293-I297 VanDerWaalsContact O-N 3.11Å; T294-I297 PolarHBondContact O-N 2.91Å; F295-I297 VanDerWaalsContact C-N 3.25Å; F295-I297 PolarHBondContact O-N 3.29Å
298T94.6Very high94.9Very high2 Ų213 Ų131%0.0127%0.07CC..Hα-helixtrans-83.7-12.2-178.866.20000114.4L242 T294 F295 L419 V420 G421L242-T298 HydrophobicContact CB-CG2 4.08Å; L242-T298 HydrophobicContact CD1-CG2 4.23Å; L242-T298 HydrophobicContact CD2-CG2 3.95Å; L242-T298 HydrophobicContact CG-CG2 4.3Å; T294-T298 HydrophobicContact CG2-CG2 4.2Å; T294-T298 WeakPolarHBondContact O-CG2 2.98Å; T294-T298 PolarHBondContact O-N 3.3Å; T294-T298 PolarHBondContact O-OG1 2.88Å; F295-T298 PolarHBondContact O-N 2.75Å; T298-L419 PolarHBondContact OG1-O 3.02Å; T298-L419 VanDerWaalsContact OG1-O 3.09Å; T298-V420 CarbonylContact O-C 3.58Å; T298-V420 WeakPolarHBondContact O-CA 3.3Å; T298-V420 WeakPolarHBondContact O-CG1 3.35Å; T298-G421 PolarHBondContact O-N 3.18Å
299H94.1Very high94.8Very high13 Ų1313 Ų136%0.067%0.07CC..  trans-125.964.8178.2-58.568.8000110.9F295 Q301 I302 S303 L419 G421F295-H299 HydrophobicContact CD1-CB 4.34Å; F295-H299 AromaticContact CD2-CE1 3.58Å; F295-H299 AromaticContact CD2-ND1 3.52Å; F295-H299 HydrophobicContact CE1-CB 3.88Å; F295-H299 HydrophobicContact CE2-CB 4.36Å; F295-H299 AromaticContact CE2-CD2 3.6Å; F295-H299 AromaticContact CE2-CE1 3.52Å; F295-H299 AromaticContact CE2-CG 3.62Å; F295-H299 AromaticContact CE2-ND1 3.55Å; F295-H299 AromaticContact CE2-NE2 3.56Å; F295-H299 AromaticContact CG-ND1 3.94Å; F295-H299 HydrophobicContact CZ-CB 3.89Å; F295-H299 AromaticContact CZ-CD2 3.73Å; F295-H299 AromaticContact CZ-CG 3.62Å; F295-H299 AromaticContact CZ-ND1 3.99Å; F295-H299 WeakPolarHBondContact O-CB 3.3Å; F295-H299 PolarHBondContact O-N 2.77Å; F295-H299 PolarHBondContact O-ND1 2.81Å; H299-Q301 PolarHBondContact O-N 3.06Å; H299-Q301 PolarHBondContact O-OE1 3.42Å; H299-I302 PolarHBondContact O-N 3.39Å; H299-I302 VanDerWaalsContact O-N 3.08Å; H299-S303 WeakPolarHBondContact O-CA 3.36Å; H299-S303 PolarHBondContact O-N 3.17Å; H299-L419 PolarHBondContact CE1-O 3.27Å; H299-G421 PolarHBondContact CD2-N 3.08Å
300P89.6Confident94.8Very high44 Ų4412.6 Ų12.629%0.2867%0.068SC..THydrogen-bonded Turntrans-64.5-11.4-171.528.9-37.4000114.8I302 L424P300-I302 VanDerWaalsContact C-N 3.35Å; P300-L424 HydrophobicContact CB-CD1 4.42Å; P300-L424 HydrophobicContact CB-CG 4.42Å; P300-L424 HydrophobicContact CG-CG 4.39Å
301Q86.8Confident94.8Very high50 Ų5012.2 Ų12.223%0.2347%0.065CC..THydrogen-bonded Turntrans-75.1-20.7174.680.4-70.23.100113.8H299 L424H299-Q301 PolarHBondContact O-N 3.06Å; H299-Q301 PolarHBondContact O-OE1 3.42Å; Q301-L424 HydrophobicContact CB-CD2 4.05Å
302I90.3Very high94.8Very high9 Ų912.2 Ų12.25%0.0467%0.065CC..THydrogen-bonded Turntrans-117.4-44.3173-56.4133000109.7F295 H299 P300 M308 M333 E337 F340F295-I302 HydrophobicContact CZ-CD1 4.48Å; H299-I302 PolarHBondContact O-N 3.39Å; H299-I302 VanDerWaalsContact O-N 3.08Å; P300-I302 VanDerWaalsContact C-N 3.35Å; I302-M308 HydrophobicContact CG2-SD 4.45Å; I302-M333 HydrophobicContact CG2-CE 4.36Å; I302-E337 HydrophobicContact CD1-CB 3.51Å; I302-E337 HydrophobicContact CD1-CG 4.42Å; I302-E337 HydrophobicContact CG1-CB 4.07Å; I302-F340 HydrophobicContact CG2-CB 3.96Å
303S92.9Very high94.8Very high5 Ų512.2 Ų12.24%0.0357%0.065CC..  trans53.7-145.1-170.3-161.40000112.6A296 H299 H454A296-S303 WeakPolarHBondContact O-CA 3.42Å; A296-S303 WeakPolarHBondContact O-CB 3.47Å; A296-S303 PolarHBondContact O-OG 2.69Å; H299-S303 WeakPolarHBondContact O-CA 3.36Å; H299-S303 PolarHBondContact O-N 3.17Å; S303-H454 PolarHBondContact OG-CE1 2.77Å
304Y95.2Very high94.8Very high16 Ų1612.2 Ų12.26%0.0637%0.065CC..  trans-88.7122.7171.9-169.7-103.2000111.6N261 V262 D265 L292 M308 S309N261-Y304 HydrophobicContact CB-CD1 4.5Å; V262-Y304 HydrophobicContact CG2-CD1 4.05Å; V262-Y304 HydrophobicContact CG2-CD2 3.59Å; V262-Y304 HydrophobicContact CG2-CE2 4.09Å; V262-Y304 HydrophobicContact CG2-CG 3.58Å; D265-Y304 HydrophobicContact CB-CE1 4.29Å; D265-Y304 WeakPolarHBondContact CB-OH 3.32Å; D265-Y304 PolarHBondContact OD2-OH 3.04Å; L292-Y304 HydrophobicContact CB-CD2 4.29Å; L292-Y304 HydrophobicContact CB-CE2 4.22Å; L292-Y304 HydrophobicContact CD1-CE2 4.09Å; L292-Y304 HydrophobicContact CD2-CE2 4.12Å; L292-Y304 HydrophobicContact CG-CE2 4.37Å; Y304-M308 HydrophobicContact CD2-CB 4.31Å; Y304-M308 HydrophobicContact CE2-CB 3.75Å; Y304-S309 PolarHBondContact OH-N 3.43Å
305C93.6Very high94.8Very high22 Ų2212.2 Ų12.215%0.1497%0.065CC..  trans-114.7145.9166.8-59.90000110.1G307 M308 F340C305-G307 PolarHBondContact O-N 3.27Å; C305-M308 HydrophobicContact CB-CG 4.48Å; C305-M308 HydrophobicContact CB-SD 3.85Å; C305-M308 PolarHBondContact N-SD 3.49Å; C305-M308 WeakPolarHBondContact O-CB 3.39Å; C305-M308 VanDerWaalsContact O-CG 3.31Å; C305-M308 WeakPolarHBondContact O-CG 3.41Å; C305-M308 PolarHBondContact O-N 3.02Å; C305-F340 HydrophobicContact CB-CB 4.01Å; C305-F340 HydrophobicContact CB-CD1 3.76Å; C305-F340 HydrophobicContact CB-CG 4.28Å; C305-F340 PolarHBondContact SG-O 2.83Å; C305-F340 VanDerWaalsContact SG-O 3.34Å
306Q90.9Very high94.9Very high68 Ų6812.3 Ų12.332%0.3187%0.066SC..THydrogen-bonded Turntrans-56.3138.1-177.7-168-156.3-18.500111.8W110 D265 M308W110-Q306 HydrophobicContact CH2-CG 4.46Å; D265-Q306 WeakPolarHBondContact OD2-CA 3.32Å; D265-Q306 VanDerWaalsContact OD2-CG 3.3Å; D265-Q306 WeakPolarHBondContact OD2-CG 3.19Å; Q306-M308 VanDerWaalsContact C-N 3.31Å; Q306-M308 PolarHBondContact O-N 3.11Å
307G92.7Very high94.9Very high5 Ų513.3 Ų13.35%0.0527%0.074CC..THydrogen-bonded Turntrans84.1-4.7179.900000114.9D265 C305 S309 D310 L386D265-G307 PolarHBondContact OD2-N 3.01Å; C305-G307 PolarHBondContact O-N 3.27Å; G307-S309 PolarHBondContact O-N 3.05Å; G307-D310 WeakPolarHBondContact O-CB 3.49Å; G307-D310 PolarHBondContact O-N 3.48Å; G307-L386 WeakPolarHBondContact O-CD2 3.43Å
308M96.8Very high95.1Very high0 Ų013.2 Ų13.20%07%0.074CC..Hα-helixtrans-59.3-27.7166.1-75.8171.459.600112L292 F295 I302 Y304 C305 Q306 D310 I311 A312 F329 M333 F340L292-M308 HydrophobicContact CD2-CB 4.27Å; F295-M308 HydrophobicContact CD1-CE 3.46Å; F295-M308 VanDerWaalsContact CD1-CE 3.46Å; F295-M308 HydrophobicContact CE1-CE 3.49Å; F295-M308 VanDerWaalsContact CE1-CE 3.49Å; F295-M308 HydrophobicContact CG-CE 4.47Å; I302-M308 HydrophobicContact CG2-SD 4.45Å; Y304-M308 HydrophobicContact CD2-CB 4.31Å; Y304-M308 HydrophobicContact CE2-CB 3.75Å; C305-M308 HydrophobicContact CB-CG 4.48Å; C305-M308 HydrophobicContact CB-SD 3.85Å; C305-M308 PolarHBondContact N-SD 3.49Å; C305-M308 WeakPolarHBondContact O-CB 3.39Å; C305-M308 VanDerWaalsContact O-CG 3.31Å; C305-M308 WeakPolarHBondContact O-CG 3.41Å; C305-M308 PolarHBondContact O-N 3.02Å; Q306-M308 VanDerWaalsContact C-N 3.31Å; Q306-M308 PolarHBondContact O-N 3.11Å; M308-D310 VanDerWaalsContact C-N 3.29Å; M308-D310 PolarHBondContact O-N 2.97Å; M308-I311 PolarHBondContact O-N 3.27Å; M308-A312 PolarHBondContact O-N 3.18Å; M308-F329 HydrophobicContact CB-CZ 4.23Å; M308-F329 HydrophobicContact CE-CE1 3.93Å; M308-F329 HydrophobicContact CE-CZ 3.85Å; M308-M333 HydrophobicContact CE-CE 3.86Å; M308-M333 HydrophobicContact CE-SD 4.39Å; M308-M333 HydrophobicContact SD-CE 4.25Å; M308-F340 HydrophobicContact CG-CD1 3.84Å; M308-F340 HydrophobicContact CG-CD2 4.35Å; M308-F340 HydrophobicContact CG-CE1 3.66Å; M308-F340 HydrophobicContact CG-CE2 4.2Å; M308-F340 HydrophobicContact CG-CG 4.18Å; M308-F340 HydrophobicContact CG-CZ 3.87Å; M308-F340 HydrophobicContact SD-CD1 4.38Å; M308-F340 HydrophobicContact SD-CG 4.39Å
309S97.4Very high95.2Very high0 Ų013.4 Ų13.40%08%0.075CC..Hα-helixtrans-61-32.4170.871.90000113.9T269 Y304 G307 A312 S313T269-S309 WeakPolarHBondContact OG1-CB 3.42Å; T269-S309 PolarHBondContact OG1-OG 2.86Å; Y304-S309 PolarHBondContact OH-N 3.43Å; G307-S309 PolarHBondContact O-N 3.05Å; S309-A312 PolarHBondContact O-N 3.22Å; S309-S313 WeakPolarHBondContact O-CB 3.2Å; S309-S313 PolarHBondContact O-N 3.06Å
310D96.9Very high95.4Very high3 Ų316.7 Ų16.72%0.0169%0.093CC..Hα-helixtrans-73.1-28.2176.8-82.1-52000112.6G307 M308 P314 L386 K389 R390G307-D310 WeakPolarHBondContact O-CB 3.49Å; G307-D310 PolarHBondContact O-N 3.48Å; M308-D310 VanDerWaalsContact C-N 3.29Å; M308-D310 PolarHBondContact O-N 2.97Å; D310-P314 WeakPolarHBondContact O-CD 3.36Å; D310-L386 HydrophobicContact CB-CD1 4.21Å; D310-L386 HydrophobicContact CB-CD2 4.38Å; D310-K389 WeakPolarHBondContact O-CG 3.43Å; D310-R390 VanDerWaalsContact CG-CZ 3.48Å; D310-R390 IonicContact OD1-CZ 2.7Å; D310-R390 IonicContact OD1-NE 3.9Å; D310-R390 PolarHBondContact OD1-NE 2.86Å; D310-R390 IonicContact OD1-NH1 3.72Å; D310-R390 IonicContact OD1-NH2 3.85Å; D310-R390 PolarHBondContact OD1-NH2 3.19Å; D310-R390 IonicContact OD2-CZ 3.53Å; D310-R390 IonicContact OD2-NE 2.74Å; D310-R390 PolarHBondContact OD2-NE 2.91Å; D310-R390 IonicContact OD2-NH2 3.64Å; D310-R390 PolarHBondContact OD2-NH2 3.48Å
311I97.8Very high95.7Very high6 Ų617.7 Ų17.73%0.03110%0.096CC..Hα-helixtrans-76.5-39.6171.9-60.8-59.7000110.9M308 P314 F329 I332 L336 F340M308-I311 PolarHBondContact O-N 3.27Å; I311-P314 WeakPolarHBondContact O-CD 3.3Å; I311-P314 WeakPolarHBondContact O-CG 3.26Å; I311-F329 HydrophobicContact CB-CE2 4.18Å; I311-F329 HydrophobicContact CG2-CD2 4.37Å; I311-F329 HydrophobicContact CG2-CE2 3.88Å; I311-I332 HydrophobicContact CG2-CG1 4.03Å; I311-I332 HydrophobicContact CG2-CG2 3.71Å; I311-L336 HydrophobicContact CD1-CD1 4.04Å; I311-L336 HydrophobicContact CG1-CD1 4.31Å; I311-L336 HydrophobicContact CG2-CD1 4.15Å; I311-F340 HydrophobicContact CG1-CZ 4.3Å
312A98.3Very high96.3Very high0 Ų017 Ų170%09%0.093CC..Hα-helixtrans-73.3-38.1178.900000113.3L288 L291 L292 M308 S309 I315 L316 F329L288-A312 HydrophobicContact CD1-CB 3.59Å; L291-A312 HydrophobicContact CD2-CB 4.05Å; L292-A312 HydrophobicContact CD2-CB 3.87Å; L292-A312 HydrophobicContact CG-CB 4.4Å; M308-A312 PolarHBondContact O-N 3.18Å; S309-A312 PolarHBondContact O-N 3.22Å; A312-I315 PolarHBondContact O-N 3.28Å; A312-I315 VanDerWaalsContact O-N 3.12Å; A312-L316 PolarHBondContact O-N 3.08Å; A312-F329 HydrophobicContact CB-CD2 3.85Å; A312-F329 HydrophobicContact CB-CE2 3.79Å
313S98.3Very high96.6Very high0 Ų016.6 Ų16.60%09%0.091CC..Hα-helixtrans-44.1-56.4178.6161.40000115.1D270 Y276 S309 I315 L316 A317D270-S313 PolarHBondContact OD2-OG 3.48Å; Y276-S313 WeakPolarHBondContact CE2-OG 3.37Å; Y276-S313 WeakPolarHBondContact OH-CA 3.39Å; Y276-S313 PolarHBondContact OH-O 2.85Å; S309-S313 WeakPolarHBondContact O-CB 3.2Å; S309-S313 PolarHBondContact O-N 3.06Å; S313-I315 VanDerWaalsContact C-N 3.33Å; S313-I315 PolarHBondContact O-N 3.35Å; S313-L316 PolarHBondContact O-N 3.03Å; S313-A317 WeakPolarHBondContact O-CB 3.23Å; S313-A317 PolarHBondContact O-N 3.16Å
314P98.1Very high96.9Very high0 Ų018.7 Ų18.70%010%0.1CC..Hα-helixtrans-69-31.9-178.326.5-34000112.2W212 D310 I311 V318 K389 L398 L401W212-P314 HydrophobicContact CH2-CB 4.36Å; D310-P314 WeakPolarHBondContact O-CD 3.36Å; I311-P314 WeakPolarHBondContact O-CD 3.3Å; I311-P314 WeakPolarHBondContact O-CG 3.26Å; P314-V318 WeakPolarHBondContact O-CB 3.38Å; P314-V318 VanDerWaalsContact O-CG2 3.3Å; P314-V318 WeakPolarHBondContact O-CG2 3.28Å; P314-V318 PolarHBondContact O-N 3.32Å; P314-V318 VanDerWaalsContact O-N 3.1Å; P314-K389 HydrophobicContact CB-CD 4.43Å; P314-K389 HydrophobicContact CG-CD 4.08Å; P314-L398 HydrophobicContact CB-CD2 3.47Å; P314-L398 VanDerWaalsContact CB-CD2 3.47Å; P314-L401 HydrophobicContact CB-CD1 4.22Å; P314-L401 HydrophobicContact CG-CD1 3.96Å
315I98.4Very high97Very high0 Ų017.9 Ų17.90%010%0.097CC..Hα-helixtrans-69.2-42.8176.7-52.9176.2000109.7W212 L216 A312 S313 V318 M319 T325 C328 F329 I332 W405W212-I315 HydrophobicContact CZ3-CG1 4.17Å; L216-I315 HydrophobicContact CD1-CD1 4.2Å; A312-I315 PolarHBondContact O-N 3.28Å; A312-I315 VanDerWaalsContact O-N 3.12Å; S313-I315 VanDerWaalsContact C-N 3.33Å; S313-I315 PolarHBondContact O-N 3.35Å; I315-V318 PolarHBondContact O-N 3.28Å; I315-M319 HydrophobicContact CG2-CG 4.05Å; I315-M319 VanDerWaalsContact O-CB 3.28Å; I315-M319 WeakPolarHBondContact O-CB 3.2Å; I315-M319 VanDerWaalsContact O-CG 3.3Å; I315-M319 WeakPolarHBondContact O-CG 3.28Å; I315-M319 PolarHBondContact O-N 3.34Å; I315-T325 HydrophobicContact CB-CG2 3.94Å; I315-T325 HydrophobicContact CG2-CG2 3.71Å; I315-C328 HydrophobicContact CG2-CB 3.56Å; I315-F329 HydrophobicContact CD1-CD2 4.48Å; I315-I332 HydrophobicContact CD1-CB 4.28Å; I315-I332 HydrophobicContact CD1-CG2 3.88Å; I315-W405 HydrophobicContact CG1-CH2 4.28Å
316L98.6Very high97.3Very high1 Ų116.9 Ų16.91%0.0059%0.09CC..Hα-helixtrans-68.1-45.9-179.6-178.460.6000111.6Y275 Y276 A287 L288 A312 S313 V318 M319 D320 T325Y275-L316 HydrophobicContact CE1-CG 4.12Å; Y276-L316 HydrophobicContact CE1-CD2 4.33Å; Y276-L316 WeakPolarHBondContact OH-CB 3.21Å; A287-L316 HydrophobicContact CB-CD2 4.24Å; L288-L316 HydrophobicContact CB-CD2 3.74Å; L288-L316 HydrophobicContact CD1-CD2 3.99Å; L288-L316 HydrophobicContact CG-CD2 4.42Å; A312-L316 PolarHBondContact O-N 3.08Å; S313-L316 PolarHBondContact O-N 3.03Å; L316-V318 PolarHBondContact O-N 3.07Å; L316-M319 PolarHBondContact O-N 3.12Å; L316-D320 WeakPolarHBondContact O-CA 3.38Å; L316-D320 PolarHBondContact O-N 2.93Å; L316-T325 WeakPolarHBondContact CA-OG1 3.34Å; L316-T325 HydrophobicContact CB-CG2 3.71Å; L316-T325 HydrophobicContact CD1-CG2 4.2Å; L316-T325 VanDerWaalsContact CD1-OG1 3.31Å; L316-T325 WeakPolarHBondContact CD1-OG1 3.24Å
317A97.8Very high97.6Very high22 Ų2213.6 Ų13.618%0.1828%0.075CC..Hα-helixtrans-63.3-28.5176.400000112.9Y275 Y276 S313 F394Y275-A317 HydrophobicContact CD1-CB 3.93Å; Y275-A317 HydrophobicContact CE1-CB 4.36Å; Y275-A317 HydrophobicContact CG-CB 4.12Å; Y276-A317 HydrophobicContact CE2-CB 4.25Å; S313-A317 WeakPolarHBondContact O-CB 3.23Å; S313-A317 PolarHBondContact O-N 3.16Å; A317-F394 HydrophobicContact CB-CE1 4.12Å; A317-F394 HydrophobicContact CB-CZ 3.77Å
318V97.9Very high97.8Very high12 Ų1213.4 Ų13.47%0.0737%0.072CC..Hα-helixtrans-78.6-49.5172.2162.20000111.9R208 K209 W212 P314 I315 L316 L398R208-V318 HydrophobicContact CB-CG1 3.57Å; R208-V318 HydrophobicContact CB-CG2 4.4Å; K209-V318 WeakPolarHBondContact CE-O 3.19Å; K209-V318 WeakPolarHBondContact CG-O 3.36Å; W212-V318 HydrophobicContact CD2-CB 4.49Å; W212-V318 HydrophobicContact CD2-CG1 3.9Å; W212-V318 HydrophobicContact CD2-CG2 4.45Å; W212-V318 HydrophobicContact CE3-CB 4.05Å; W212-V318 HydrophobicContact CE3-CG1 3.83Å; W212-V318 HydrophobicContact CE3-CG2 4.19Å; W212-V318 HydrophobicContact CG-CG1 4.37Å; W212-V318 HydrophobicContact CH2-CB 4.5Å; W212-V318 HydrophobicContact CH2-CG2 3.82Å; W212-V318 HydrophobicContact CZ2-CG2 4.02Å; W212-V318 HydrophobicContact CZ3-CB 4.05Å; W212-V318 HydrophobicContact CZ3-CG1 4.33Å; W212-V318 HydrophobicContact CZ3-CG2 3.87Å; P314-V318 WeakPolarHBondContact O-CB 3.38Å; P314-V318 VanDerWaalsContact O-CG2 3.3Å; P314-V318 WeakPolarHBondContact O-CG2 3.28Å; P314-V318 PolarHBondContact O-N 3.32Å; P314-V318 VanDerWaalsContact O-N 3.1Å; I315-V318 PolarHBondContact O-N 3.28Å; L316-V318 PolarHBondContact O-N 3.07Å; V318-L398 HydrophobicContact CG2-CD1 4.13Å; V318-L398 HydrophobicContact CG2-CD2 4.03Å
319M97.3Very high97.9Very high5 Ų513.4 Ų13.43%0.0257%0.072CC..Hα-helixtrans-76.5-32.1-171.8-72-65.8157.200113.1K209 W212 R213 I315 L316 N321 H324 T325K209-M319 WeakPolarHBondContact CE-O 3.39Å; W212-M319 HydrophobicContact CB-CE 3.7Å; R213-M319 HydrophobicContact CG-CE 3.93Å; R213-M319 HydrophobicContact CG-SD 4.48Å; I315-M319 HydrophobicContact CG2-CG 4.05Å; I315-M319 VanDerWaalsContact O-CB 3.28Å; I315-M319 WeakPolarHBondContact O-CB 3.2Å; I315-M319 VanDerWaalsContact O-CG 3.3Å; I315-M319 WeakPolarHBondContact O-CG 3.28Å; I315-M319 PolarHBondContact O-N 3.34Å; L316-M319 PolarHBondContact O-N 3.12Å; M319-N321 PolarHBondContact O-N 2.76Å; M319-H324 HydrophobicContact CB-CB 4.42Å; M319-T325 WeakPolarHBondContact CB-OG1 3.42Å
320D96.9Very high97.9Very high83 Ų8313.5 Ų13.544%0.4447%0.073SC..  trans57.336.2177.2-162.225.6000113K209 Y275 L316K209-D320 IonicContact NZ-OD2 3.14Å; K209-D320 PolarHBondContact NZ-OD2 3.4Å; Y275-D320 WeakPolarHBondContact CE2-OD1 3.18Å; Y275-D320 PolarHBondContact OH-OD1 3.37Å; L316-D320 WeakPolarHBondContact O-CA 3.38Å; L316-D320 PolarHBondContact O-N 2.93Å
321N97.6Very high97.8Very high64 Ų6413.8 Ų13.834%0.3428%0.076SC..SBendtrans-164125.6-179.7177.4-94.7000109.6M319 A323 H324 T325M319-N321 PolarHBondContact O-N 2.76Å; N321-A323 PolarHBondContact OD1-N 2.82Å; N321-H324 HydrophobicContact CB-CB 4.05Å; N321-H324 WeakPolarHBondContact OD1-CB 3.32Å; N321-H324 PolarHBondContact OD1-N 3.15Å; N321-H324 PolarHBondContact OD1-ND1 3.01Å; N321-T325 WeakPolarHBondContact O-CB 3.27Å; N321-T325 PolarHBondContact O-N 3.05Å; N321-T325 PolarHBondContact O-OG1 3.42Å
322E98Very high97.6Very high35 Ų3513.5 Ų13.516%0.1648%0.075CC..Hα-helixtrans-57-55.4-174.7-165.7-174.7128.800112.5Y239 K243 A287 L291 H324 T325 F326Y239-E322 HydrophobicContact CE1-CG 4.05Å; Y239-E322 WeakPolarHBondContact CE1-OE1 3.37Å; Y239-E322 PolarHBondContact OH-OE1 3.35Å; K243-E322 WeakPolarHBondContact CD-OE1 3.47Å; K243-E322 WeakPolarHBondContact CE-OE1 3.28Å; K243-E322 VanDerWaalsContact NZ-CD 3.33Å; K243-E322 IonicContact NZ-OE1 3.72Å; K243-E322 PolarHBondContact NZ-OE1 3.33Å; K243-E322 IonicContact NZ-OE2 2.76Å; K243-E322 PolarHBondContact NZ-OE2 3.33Å; K243-E322 VanDerWaalsContact NZ-OE2 3.16Å; A287-E322 HydrophobicContact CB-CB 4.16Å; A287-E322 HydrophobicContact CB-CG 4.01Å; L291-E322 HydrophobicContact CB-CG 4.37Å; E322-H324 PolarHBondContact O-N 3.26Å; E322-T325 WeakPolarHBondContact O-CA 3.47Å; E322-T325 WeakPolarHBondContact O-CB 3.45Å; E322-T325 PolarHBondContact O-N 2.99Å; E322-T325 VanDerWaalsContact O-N 3.11Å; E322-F326 PolarHBondContact O-N 3.42Å
323A97.9Very high97.4Very high2 Ų213.6 Ų13.62%0.0178%0.075CC..Hα-helixtrans-63.4-44.3-177.500000113.3T236 Y239 N321 T325 F326 I327T236-A323 HydrophobicContact CG2-CB 3.76Å; Y239-A323 HydrophobicContact CD1-CB 3.53Å; Y239-A323 HydrophobicContact CE1-CB 4.26Å; Y239-A323 HydrophobicContact CG-CB 4.13Å; N321-A323 PolarHBondContact OD1-N 2.82Å; A323-T325 PolarHBondContact O-N 3.17Å; A323-F326 PolarHBondContact O-N 3.13Å; A323-I327 WeakPolarHBondContact O-CD1 3.26Å; A323-I327 VanDerWaalsContact O-CG1 3.25Å; A323-I327 WeakPolarHBondContact O-CG1 3.49Å; A323-I327 PolarHBondContact O-N 3.5Å
324H97.9Very high97.1Very high48 Ų4818.8 Ų18.822%0.22210%0.098CC..Hα-helixtrans-59.6-38.2173.8-69.1157.9000111.8R213 M232 M319 N321 E322 C328R213-H324 VanDerWaalsContact NH2-CG 3.31Å; R213-H324 PolarHBondContact NH2-ND1 2.88Å; M232-H324 HydrophobicContact CE-CB 4.48Å; M232-H324 VanDerWaalsContact CE-CD2 3.44Å; M232-H324 WeakPolarHBondContact CE-CD2 3.29Å; M319-H324 HydrophobicContact CB-CB 4.42Å; N321-H324 HydrophobicContact CB-CB 4.05Å; N321-H324 WeakPolarHBondContact OD1-CB 3.32Å; N321-H324 PolarHBondContact OD1-N 3.15Å; N321-H324 PolarHBondContact OD1-ND1 3.01Å; E322-H324 PolarHBondContact O-N 3.26Å; H324-C328 PolarHBondContact O-N 2.94Å; H324-C328 VanDerWaalsContact O-N 3.15Å; H324-C328 PolarHBondContact O-SG 2.94Å
325T98.6Very high96.6Very high0 Ų021.6 Ų21.60%011%0.109CC..Hα-helixtrans-66.9-46.3176.7-53.20000110.7L291 I315 L316 M319 N321 E322 A323 I327 C328 F329L291-T325 VanDerWaalsContact CD1-CB 3.47Å; L291-T325 HydrophobicContact CD1-CG2 3.33Å; I315-T325 HydrophobicContact CB-CG2 3.94Å; I315-T325 HydrophobicContact CG2-CG2 3.71Å; L316-T325 WeakPolarHBondContact CA-OG1 3.34Å; L316-T325 HydrophobicContact CB-CG2 3.71Å; L316-T325 HydrophobicContact CD1-CG2 4.2Å; L316-T325 VanDerWaalsContact CD1-OG1 3.31Å; L316-T325 WeakPolarHBondContact CD1-OG1 3.24Å; M319-T325 WeakPolarHBondContact CB-OG1 3.42Å; N321-T325 WeakPolarHBondContact O-CB 3.27Å; N321-T325 PolarHBondContact O-N 3.05Å; N321-T325 PolarHBondContact O-OG1 3.42Å; E322-T325 WeakPolarHBondContact O-CA 3.47Å; E322-T325 WeakPolarHBondContact O-CB 3.45Å; E322-T325 PolarHBondContact O-N 2.99Å; E322-T325 VanDerWaalsContact O-N 3.11Å; A323-T325 PolarHBondContact O-N 3.17Å; T325-I327 VanDerWaalsContact C-N 3.32Å; T325-I327 PolarHBondContact O-N 3.38Å; T325-C328 CarbonylContact O-C 3.55Å; T325-C328 WeakPolarHBondContact O-CA 3.43Å; T325-C328 WeakPolarHBondContact O-CB 3.42Å; T325-C328 PolarHBondContact O-N 2.92Å; T325-C328 VanDerWaalsContact O-N 3.1Å; T325-F329 WeakPolarHBondContact O-CB 3.28Å; T325-F329 PolarHBondContact O-N 2.98Å
326F98.5Very high96.3Very high0 Ų021.6 Ų21.60%011%0.109CC..Hα-helixtrans-58-44.2178.7177.7-88.6000111.7Y239 L291 T294 F295 E322 A323 C328 F329 C330 L419Y239-F326 HydrophobicContact CD2-CB 3.63Å; Y239-F326 AromaticContact CD2-CD1 3.27Å; Y239-F326 HydrophobicContact CD2-CD1 3.27Å; Y239-F326 AromaticContact CD2-CD2 3.68Å; Y239-F326 HydrophobicContact CD2-CD2 3.68Å; Y239-F326 AromaticContact CD2-CE1 3.75Å; Y239-F326 HydrophobicContact CD2-CE1 3.75Å; Y239-F326 HydrophobicContact CD2-CE2 4.11Å; Y239-F326 AromaticContact CD2-CG 3.22Å; Y239-F326 HydrophobicContact CD2-CG 3.22Å; Y239-F326 HydrophobicContact CD2-CZ 4.14Å; Y239-F326 HydrophobicContact CE2-CB 3.6Å; Y239-F326 AromaticContact CE2-CD1 3.88Å; Y239-F326 HydrophobicContact CE2-CD1 3.88Å; Y239-F326 AromaticContact CE2-CD2 3.35Å; Y239-F326 HydrophobicContact CE2-CD2 3.35Å; Y239-F326 HydrophobicContact CE2-CE1 4.39Å; Y239-F326 AromaticContact CE2-CE2 3.93Å; Y239-F326 HydrophobicContact CE2-CE2 3.93Å; Y239-F326 AromaticContact CE2-CG 3.31Å; Y239-F326 HydrophobicContact CE2-CG 3.31Å; Y239-F326 HydrophobicContact CE2-CZ 4.42Å; Y239-F326 HydrophobicContact CG-CB 4.26Å; Y239-F326 HydrophobicContact CG-CD1 4.1Å; Y239-F326 HydrophobicContact CG-CG 4.2Å; L291-F326 HydrophobicContact CD1-CB 4.08Å; L291-F326 HydrophobicContact CG-CB 4.09Å; L291-F326 HydrophobicContact CG-CD2 4.21Å; T294-F326 HydrophobicContact CG2-CD2 4.46Å; T294-F326 HydrophobicContact CG2-CE2 3.8Å; T294-F326 HydrophobicContact CG2-CZ 4.1Å; F295-F326 HydrophobicContact CB-CE2 3.92Å; E322-F326 PolarHBondContact O-N 3.42Å; A323-F326 PolarHBondContact O-N 3.13Å; F326-C328 VanDerWaalsContact C-N 3.32Å; F326-C328 PolarHBondContact O-N 2.94Å; F326-F329 CarbonylContact O-C 3.58Å; F326-F329 WeakPolarHBondContact O-CA 3.34Å; F326-F329 WeakPolarHBondContact O-CB 3.12Å; F326-F329 PolarHBondContact O-N 2.79Å; F326-C330 VanDerWaalsContact CE1-SG 3.58Å; F326-C330 PolarHBondContact O-N 2.88Å; F326-L419 HydrophobicContact CD1-CD1 4.47Å; F326-L419 HydrophobicContact CD1-CD2 4.22Å; F326-L419 HydrophobicContact CE1-CB 3.92Å; F326-L419 HydrophobicContact CE1-CD1 4.18Å; F326-L419 HydrophobicContact CE1-CD2 3.91Å; F326-L419 HydrophobicContact CE1-CG 4.2Å
327I97.9Very high96Very high0 Ų024.4 Ų24.40%012%0.122CC..Hα-helixtrans-61.8-41.6176.6-61.8158.3000110.9V218 M232 K235 A323 T325 F329 G331 L419V218-I327 HydrophobicContact CG1-CG2 3.64Å; M232-I327 HydrophobicContact CE-CB 4.35Å; M232-I327 HydrophobicContact CE-CD1 3.61Å; M232-I327 HydrophobicContact CE-CG2 4.23Å; K235-I327 HydrophobicContact CB-CD1 3.52Å; K235-I327 HydrophobicContact CB-CG1 3.97Å; A323-I327 WeakPolarHBondContact O-CD1 3.26Å; A323-I327 VanDerWaalsContact O-CG1 3.25Å; A323-I327 WeakPolarHBondContact O-CG1 3.49Å; A323-I327 PolarHBondContact O-N 3.5Å; T325-I327 VanDerWaalsContact C-N 3.32Å; T325-I327 PolarHBondContact O-N 3.38Å; I327-F329 VanDerWaalsContact C-N 3.27Å; I327-F329 PolarHBondContact O-N 3.42Å; I327-G331 PolarHBondContact O-N 3.45Å; I327-L419 HydrophobicContact CG1-CD1 4.39Å; I327-L419 HydrophobicContact CG1-CD2 4.21Å
328C98.1Very high95.6Very high0 Ų024 Ų240%012%0.12CC..Hα-helixtrans-67.7-27.9172.9-64.50000112.5L216 V218 I315 H324 T325 F326 G331 I332L216-C328 HydrophobicContact CD1-CB 3.8Å; V218-C328 HydrophobicContact CG2-CB 4.4Å; I315-C328 HydrophobicContact CG2-CB 3.56Å; H324-C328 PolarHBondContact O-N 2.94Å; H324-C328 VanDerWaalsContact O-N 3.15Å; H324-C328 PolarHBondContact O-SG 2.94Å; T325-C328 CarbonylContact O-C 3.55Å; T325-C328 WeakPolarHBondContact O-CA 3.43Å; T325-C328 WeakPolarHBondContact O-CB 3.42Å; T325-C328 PolarHBondContact O-N 2.92Å; T325-C328 VanDerWaalsContact O-N 3.1Å; F326-C328 VanDerWaalsContact C-N 3.32Å; F326-C328 PolarHBondContact O-N 2.94Å; C328-G331 PolarHBondContact O-N 2.66Å; C328-I332 PolarHBondContact O-N 2.81Å
329F98.1Very high95.3Very high0 Ų023.7 Ų23.70%012%0.118CC..Hα-helixtrans-76.6-38.3178.5-169.3-103.1000111.9L291 L292 F295 M308 I311 A312 I315 T325 F326 I327 G331 I332 M333L291-F329 HydrophobicContact CD2-CB 4.39Å; L291-F329 HydrophobicContact CD2-CD1 4.19Å; L291-F329 HydrophobicContact CD2-CG 4.15Å; L292-F329 HydrophobicContact CD2-CE1 4.24Å; L292-F329 HydrophobicContact CD2-CE2 4.49Å; L292-F329 HydrophobicContact CD2-CZ 3.98Å; F295-F329 HydrophobicContact CB-CD1 4.24Å; F295-F329 HydrophobicContact CB-CE1 4.12Å; F295-F329 AromaticContact CD1-CE1 3.96Å; F295-F329 HydrophobicContact CD1-CE1 3.96Å; F295-F329 AromaticContact CD2-CD1 3.64Å; F295-F329 HydrophobicContact CD2-CD1 3.64Å; F295-F329 AromaticContact CD2-CE1 3.73Å; F295-F329 HydrophobicContact CD2-CE1 3.73Å; F295-F329 HydrophobicContact CE1-CE1 4.35Å; F295-F329 HydrophobicContact CE2-CD1 4.18Å; F295-F329 HydrophobicContact CE2-CE1 4.13Å; F295-F329 AromaticContact CG-CD1 3.92Å; F295-F329 HydrophobicContact CG-CD1 3.92Å; F295-F329 AromaticContact CG-CE1 3.64Å; F295-F329 HydrophobicContact CG-CE1 3.64Å; F295-F329 HydrophobicContact CZ-CE1 4.44Å; M308-F329 HydrophobicContact CB-CZ 4.23Å; M308-F329 HydrophobicContact CE-CE1 3.93Å; M308-F329 HydrophobicContact CE-CZ 3.85Å; I311-F329 HydrophobicContact CB-CE2 4.18Å; I311-F329 HydrophobicContact CG2-CD2 4.37Å; I311-F329 HydrophobicContact CG2-CE2 3.88Å; A312-F329 HydrophobicContact CB-CD2 3.85Å; A312-F329 HydrophobicContact CB-CE2 3.79Å; I315-F329 HydrophobicContact CD1-CD2 4.48Å; T325-F329 WeakPolarHBondContact O-CB 3.28Å; T325-F329 PolarHBondContact O-N 2.98Å; F326-F329 CarbonylContact O-C 3.58Å; F326-F329 WeakPolarHBondContact O-CA 3.34Å; F326-F329 WeakPolarHBondContact O-CB 3.12Å; F326-F329 PolarHBondContact O-N 2.79Å; I327-F329 VanDerWaalsContact C-N 3.27Å; I327-F329 PolarHBondContact O-N 3.42Å; F329-G331 VanDerWaalsContact C-N 3.27Å; F329-G331 PolarHBondContact O-N 3.11Å; F329-I332 HydrophobicContact CD2-CG2 3.84Å; F329-I332 HydrophobicContact CE2-CG2 4.29Å; F329-I332 HydrophobicContact CG-CG2 4.42Å; F329-I332 VanDerWaalsContact O-CG2 3.32Å; F329-I332 WeakPolarHBondContact O-CG2 3.49Å; F329-I332 PolarHBondContact O-N 3.43Å; F329-M333 HydrophobicContact CD1-CG 3.91Å; F329-M333 HydrophobicContact CD2-CG 4.48Å; F329-M333 HydrophobicContact CE1-CG 3.54Å; F329-M333 HydrophobicContact CE1-SD 4.19Å; F329-M333 HydrophobicContact CE2-CG 4.16Å; F329-M333 HydrophobicContact CE2-SD 4.28Å; F329-M333 HydrophobicContact CG-CG 4.37Å; F329-M333 HydrophobicContact CZ-CG 3.68Å; F329-M333 HydrophobicContact CZ-SD 3.77Å; F329-M333 VanDerWaalsContact O-CB 3.27Å; F329-M333 WeakPolarHBondContact O-CB 3.38Å; F329-M333 WeakPolarHBondContact O-CG 3.41Å; F329-M333 PolarHBondContact O-N 3.47Å
330C96.8Very high95.1Very high3 Ų324 Ų242%0.0212%0.119CC..Hα-helixtrans-59.2-41.1165.9-69.70000111F326 M333 K334 V417 L419F326-C330 VanDerWaalsContact CE1-SG 3.58Å; F326-C330 PolarHBondContact O-N 2.88Å; C330-M333 PolarHBondContact O-N 3.48Å; C330-K334 PolarHBondContact O-N 3.34Å; C330-K334 VanDerWaalsContact O-N 3.11Å; C330-V417 HydrophobicContact CB-CG1 3.72Å; C330-L419 HydrophobicContact CB-CD2 4.14Å
331G94.5Very high94.6Very high8 Ų825.7 Ų25.78%0.08212%0.119CC..Hα-helixtrans-60.2-45.7174.300000114.7L216 I327 C328 F329L216-G331 WeakPolarHBondContact O-CA 3.07Å; I327-G331 PolarHBondContact O-N 3.45Å; C328-G331 PolarHBondContact O-N 2.66Å; F329-G331 VanDerWaalsContact C-N 3.27Å; F329-G331 PolarHBondContact O-N 3.11Å
332I94.9Very high93.8Very high0 Ų026.5 Ų26.50%013%0.128CC..Hα-helixtrans-70.4-36175-164.765000111.7L216 I311 I315 C328 F329 K334 R335 L336 W405L216-I332 HydrophobicContact CD2-CB 4.02Å; L216-I332 HydrophobicContact CD2-CD1 3.61Å; L216-I332 HydrophobicContact CD2-CG1 4.29Å; I311-I332 HydrophobicContact CG2-CG1 4.03Å; I311-I332 HydrophobicContact CG2-CG2 3.71Å; I315-I332 HydrophobicContact CD1-CB 4.28Å; I315-I332 HydrophobicContact CD1-CG2 3.88Å; C328-I332 PolarHBondContact O-N 2.81Å; F329-I332 HydrophobicContact CD2-CG2 3.84Å; F329-I332 HydrophobicContact CE2-CG2 4.29Å; F329-I332 HydrophobicContact CG-CG2 4.42Å; F329-I332 VanDerWaalsContact O-CG2 3.32Å; F329-I332 WeakPolarHBondContact O-CG2 3.49Å; F329-I332 PolarHBondContact O-N 3.43Å; I332-K334 PolarHBondContact O-N 2.93Å; I332-R335 HydrophobicContact CD1-CG 4.49Å; I332-R335 WeakPolarHBondContact O-CG 3.12Å; I332-R335 PolarHBondContact O-N 3.25Å; I332-L336 HydrophobicContact CD1-CD1 4.11Å; I332-L336 HydrophobicContact CD1-CG 4.37Å; I332-L336 HydrophobicContact CG1-CD1 3.62Å; I332-L336 HydrophobicContact CG1-CG 4.1Å; I332-L336 PolarHBondContact O-N 3.26Å; I332-W405 HydrophobicContact CD1-CZ2 4.04Å
333M94.4Very high93.2Very high2 Ų227.8 Ų27.81%0.0114%0.136CC..Hα-helixtrans-69.5-33.3-176.4-73.9-60.4-65.800112.8F295 I302 M308 F329 C330 R335 L336 E337 F340F295-M333 HydrophobicContact CE1-CE 3.98Å; F295-M333 HydrophobicContact CE1-CG 4.38Å; F295-M333 HydrophobicContact CE2-CB 3.79Å; F295-M333 HydrophobicContact CE2-CG 3.77Å; F295-M333 HydrophobicContact CZ-CB 3.74Å; F295-M333 HydrophobicContact CZ-CE 3.87Å; F295-M333 HydrophobicContact CZ-CG 3.67Å; I302-M333 HydrophobicContact CG2-CE 4.36Å; M308-M333 HydrophobicContact CE-CE 3.86Å; M308-M333 HydrophobicContact CE-SD 4.39Å; M308-M333 HydrophobicContact SD-CE 4.25Å; F329-M333 HydrophobicContact CD1-CG 3.91Å; F329-M333 HydrophobicContact CD2-CG 4.48Å; F329-M333 HydrophobicContact CE1-CG 3.54Å; F329-M333 HydrophobicContact CE1-SD 4.19Å; F329-M333 HydrophobicContact CE2-CG 4.16Å; F329-M333 HydrophobicContact CE2-SD 4.28Å; F329-M333 HydrophobicContact CG-CG 4.37Å; F329-M333 HydrophobicContact CZ-CG 3.68Å; F329-M333 HydrophobicContact CZ-SD 3.77Å; F329-M333 VanDerWaalsContact O-CB 3.27Å; F329-M333 WeakPolarHBondContact O-CB 3.38Å; F329-M333 WeakPolarHBondContact O-CG 3.41Å; F329-M333 PolarHBondContact O-N 3.47Å; C330-M333 PolarHBondContact O-N 3.48Å; M333-R335 PolarHBondContact O-N 3.22Å; M333-L336 PolarHBondContact O-N 3.46Å; M333-L336 HydrophobicContact SD-CB 4.47Å; M333-E337 HydrophobicContact CE-CB 4.29Å; M333-E337 VanDerWaalsContact O-CB 3.31Å; M333-E337 WeakPolarHBondContact O-CB 3.42Å; M333-E337 WeakPolarHBondContact O-CG 3.37Å; M333-E337 PolarHBondContact O-N 3.29Å; M333-F340 HydrophobicContact CE-CD2 3.87Å; M333-F340 HydrophobicContact CE-CE2 4.34Å; M333-F340 HydrophobicContact SD-CD2 4.33Å; M333-F340 HydrophobicContact SD-CE2 4.22Å
334K90.3Very high92.6Very high109 Ų10928.8 Ų28.847%0.47415%0.147SC..Hα-helixtrans-52.2-24.2173.4-78.9-163.7169-152.30115C330 I332 E418C330-K334 PolarHBondContact O-N 3.34Å; C330-K334 VanDerWaalsContact O-N 3.11Å; I332-K334 PolarHBondContact O-N 2.93Å; K334-E418 VanDerWaalsContact CE-OE2 3.24Å; K334-E418 WeakPolarHBondContact CE-OE2 3.42Å; K334-E418 IonicContact NZ-OE2 3.53Å; K334-E418 PolarHBondContact NZ-OE2 2.85Å
335R88.9Confident92.1Very high59 Ų5932.4 Ų32.422%0.22316%0.164CC..Hα-helixtrans-111.2-7.3177.452.5171.6-95.8-127.5-13.6114.7I332 M333 E387 W405I332-R335 HydrophobicContact CD1-CG 4.49Å; I332-R335 WeakPolarHBondContact O-CG 3.12Å; I332-R335 PolarHBondContact O-N 3.25Å; M333-R335 PolarHBondContact O-N 3.22Å; R335-E387 IonicContact CZ-OE1 3.61Å; R335-E387 IonicContact NH2-OE1 3.63Å; R335-E387 PolarHBondContact NH2-OE1 3.2Å; R335-E387 IonicContact NH2-OE2 3.21Å; R335-E387 PolarHBondContact NH2-OE2 3.04Å; R335-W405 VanDerWaalsContact NH1-CG 3.27Å
336L92.1Very high91.7Very high1 Ų134.1 Ų34.11%0.00517%0.172CC..Hα-helixtrans-114.8-15.6178.9-65.2-169000114.3I311 I332 M333 G338 N339 F340 E387I311-L336 HydrophobicContact CD1-CD1 4.04Å; I311-L336 HydrophobicContact CG1-CD1 4.31Å; I311-L336 HydrophobicContact CG2-CD1 4.15Å; I332-L336 HydrophobicContact CD1-CD1 4.11Å; I332-L336 HydrophobicContact CD1-CG 4.37Å; I332-L336 HydrophobicContact CG1-CD1 3.62Å; I332-L336 HydrophobicContact CG1-CG 4.1Å; I332-L336 PolarHBondContact O-N 3.26Å; M333-L336 PolarHBondContact O-N 3.46Å; M333-L336 HydrophobicContact SD-CB 4.47Å; L336-G338 PolarHBondContact O-N 2.82Å; L336-G338 VanDerWaalsContact O-N 3.11Å; L336-N339 VanDerWaalsContact O-CB 3.27Å; L336-N339 WeakPolarHBondContact O-CB 3.49Å; L336-N339 PolarHBondContact O-N 2.78Å; L336-F340 HydrophobicContact CB-CE2 4.23Å; L336-F340 WeakPolarHBondContact O-CD2 3.42Å; L336-E387 HydrophobicContact CD1-CG 4.38Å; L336-E387 HydrophobicContact CD2-CG 4.06Å
337E90.7Very high91.4Very high60 Ų6034.4 Ų34.428%0.2817%0.174SC..Hα-helixtrans-53.4-37.9-175.255.8166.8-121.400113.1I302 M333 N339 F340 R341I302-E337 HydrophobicContact CD1-CB 3.51Å; I302-E337 HydrophobicContact CD1-CG 4.42Å; I302-E337 HydrophobicContact CG1-CB 4.07Å; M333-E337 HydrophobicContact CE-CB 4.29Å; M333-E337 VanDerWaalsContact O-CB 3.31Å; M333-E337 WeakPolarHBondContact O-CB 3.42Å; M333-E337 WeakPolarHBondContact O-CG 3.37Å; M333-E337 PolarHBondContact O-N 3.29Å; E337-N339 PolarHBondContact O-N 3.03Å; E337-F340 PolarHBondContact O-N 2.88Å; E337-R341 PolarHBondContact O-N 3.08Å; E337-R341 VanDerWaalsContact O-N 3.12Å
338G90.4Very high91.2Very high14 Ų1438 Ų3814%0.14420%0.199CC..Hα-helixtrans-61-24.3176.900000114.6L336 F340 L346L336-G338 PolarHBondContact O-N 2.82Å; L336-G338 VanDerWaalsContact O-N 3.11Å; G338-F340 VanDerWaalsContact C-N 3.29Å; G338-L346 WeakPolarHBondContact O-CB 3.46Å
339N91.3Very high91Very high4 Ų440.2 Ų40.22%0.02121%0.21CC..Hα-helixtrans-70.1-30.4173.9-60.4-9.6000111.8L336 E337 L346 M347 K350 L384 L385L336-N339 VanDerWaalsContact O-CB 3.27Å; L336-N339 WeakPolarHBondContact O-CB 3.49Å; L336-N339 PolarHBondContact O-N 2.78Å; E337-N339 PolarHBondContact O-N 3.03Å; N339-L346 WeakPolarHBondContact OD1-CD2 3.33Å; N339-M347 HydrophobicContact CB-CG 4.44Å; N339-M347 HydrophobicContact CB-SD 4.04Å; N339-K350 PolarHBondContact OD1-NZ 2.64Å; N339-L384 PolarHBondContact ND2-O 3.44Å; N339-L385 HydrophobicContact CB-CD1 3.67Å
340F92.3Very high90.8Very high12 Ų1241 Ų415%0.05321%0.214CC..Hα-helixtrans-97.8-6.7-174.5-61.6-77.5000112.8I302 C305 M308 I311 M333 L336 E337 G338 L385I302-F340 HydrophobicContact CG2-CB 3.96Å; C305-F340 HydrophobicContact CB-CB 4.01Å; C305-F340 HydrophobicContact CB-CD1 3.76Å; C305-F340 HydrophobicContact CB-CG 4.28Å; C305-F340 PolarHBondContact SG-O 2.83Å; C305-F340 VanDerWaalsContact SG-O 3.34Å; M308-F340 HydrophobicContact CG-CD1 3.84Å; M308-F340 HydrophobicContact CG-CD2 4.35Å; M308-F340 HydrophobicContact CG-CE1 3.66Å; M308-F340 HydrophobicContact CG-CE2 4.2Å; M308-F340 HydrophobicContact CG-CG 4.18Å; M308-F340 HydrophobicContact CG-CZ 3.87Å; M308-F340 HydrophobicContact SD-CD1 4.38Å; M308-F340 HydrophobicContact SD-CG 4.39Å; I311-F340 HydrophobicContact CG1-CZ 4.3Å; M333-F340 HydrophobicContact CE-CD2 3.87Å; M333-F340 HydrophobicContact CE-CE2 4.34Å; M333-F340 HydrophobicContact SD-CD2 4.33Å; M333-F340 HydrophobicContact SD-CE2 4.22Å; L336-F340 HydrophobicContact CB-CE2 4.23Å; L336-F340 WeakPolarHBondContact O-CD2 3.42Å; E337-F340 PolarHBondContact O-N 2.88Å; G338-F340 VanDerWaalsContact C-N 3.29Å; F340-L385 HydrophobicContact CD1-CD1 3.69Å; F340-L385 HydrophobicContact CE1-CD1 3.47Å; F340-L385 VanDerWaalsContact CE1-CD1 3.47Å; F340-L385 HydrophobicContact CE1-CD2 4.34Å; F340-L385 HydrophobicContact CE1-CG 3.92Å; F340-L385 HydrophobicContact CE2-CD1 4.4Å; F340-L385 HydrophobicContact CG-CD1 4.26Å; F340-L385 HydrophobicContact CZ-CD1 3.85Å; F340-L385 HydrophobicContact CZ-CG 4.31Å
341R87.7Confident90.7Very high119 Ų11941.4 Ų41.445%0.44922%0.215SC..  trans-61130.7175.6-76.2175.961.9118.20.9110.9E337 D343 G344E337-R341 PolarHBondContact O-N 3.08Å; E337-R341 VanDerWaalsContact O-N 3.12Å; R341-D343 IonicContact CZ-OD2 2.63Å; R341-D343 IonicContact NE-OD1 3.75Å; R341-D343 IonicContact NE-OD2 3.51Å; R341-D343 PolarHBondContact NE-OD2 2.99Å; R341-D343 IonicContact NH2-OD2 2.87Å; R341-D343 PolarHBondContact NH2-OD2 3.4Å; R341-D343 PolarHBondContact O-N 2.83Å; R341-G344 PolarHBondContact O-N 3.36Å
342P80.7Confident90.8Very high80 Ų8047.2 Ų47.252%0.51924%0.24SC..THydrogen-bonded Turntrans-59.9-12.7177.8-27.435.7000115.8G344P342-G344 VanDerWaalsContact C-N 3.29Å
343D84.3Confident90.8Very high63 Ų6348 Ų4834%0.33724%0.244SC..THydrogen-bonded Turntrans-74.9-14.2174.662.846.5000114R341 Q345R341-D343 IonicContact CZ-OD2 2.63Å; R341-D343 IonicContact NE-OD1 3.75Å; R341-D343 IonicContact NE-OD2 3.51Å; R341-D343 PolarHBondContact NE-OD2 2.99Å; R341-D343 IonicContact NH2-OD2 2.87Å; R341-D343 PolarHBondContact NH2-OD2 3.4Å; R341-D343 PolarHBondContact O-N 2.83Å; D343-Q345 HydrophobicContact CB-CG 4.05Å; D343-Q345 PolarHBondContact O-N 2.55Å; D343-Q345 WeakPolarHBondContact OD1-CB 3.24Å; D343-Q345 WeakPolarHBondContact OD1-CG 3.15Å; D343-Q345 PolarHBondContact OD1-N 2.6Å
344G85.8Confident90.9Very high23 Ų2347.9 Ų47.924%0.23724%0.243CC..  trans62.18.5176.300000115.6R341 P342 M347 S348R341-G344 PolarHBondContact O-N 3.36Å; P342-G344 VanDerWaalsContact C-N 3.29Å; G344-M347 PolarHBondContact O-N 2.87Å; G344-S348 WeakPolarHBondContact O-CB 3.41Å; G344-S348 PolarHBondContact O-N 3.39Å; G344-S348 PolarHBondContact O-OG 3.46Å
345Q88.8Confident91.2Very high124 Ų12445.2 Ų45.258%0.57923%0.232SC*.Hα-helixtrans-68.7-44.9-167.3-65.7-179.121.600111.9D343 M347 S348 I349D343-Q345 HydrophobicContact CB-CG 4.05Å; D343-Q345 PolarHBondContact O-N 2.55Å; D343-Q345 WeakPolarHBondContact OD1-CB 3.24Å; D343-Q345 WeakPolarHBondContact OD1-CG 3.15Å; D343-Q345 PolarHBondContact OD1-N 2.6Å; Q345-M347 PolarHBondContact O-N 3.11Å; Q345-S348 PolarHBondContact O-N 3.06Å; Q345-I349 WeakPolarHBondContact O-CG1 3.35Å; Q345-I349 PolarHBondContact O-N 3.35Å
346L90.1Very high91.5Very high35 Ų3544.1 Ų44.118%0.18323%0.23CC..Hα-helixtrans-66.4-38.5-179.5-17657.9000112G338 N339 I349 K350 K719G338-L346 WeakPolarHBondContact O-CB 3.46Å; N339-L346 WeakPolarHBondContact OD1-CD2 3.33Å; L346-I349 PolarHBondContact O-N 2.99Å; L346-K350 HydrophobicContact CG-CD 4.4Å; L346-K350 WeakPolarHBondContact O-CG 3.21Å; L346-K350 PolarHBondContact O-N 3.18Å; L346-K719 HydrophobicContact CD1-CB 3.67Å; L346-K719 HydrophobicContact CD1-CG 3.71Å
347M91.8Very high91.6Very high7 Ų744.1 Ų44.13%0.03423%0.23CC..Hα-helixtrans-64.4-45174.8-71.6-63.9-72.500110.9N339 G344 Q345 I349 K350 F351 Y381 L384 L385N339-M347 HydrophobicContact CB-CG 4.44Å; N339-M347 HydrophobicContact CB-SD 4.04Å; G344-M347 PolarHBondContact O-N 2.87Å; Q345-M347 PolarHBondContact O-N 3.11Å; M347-I349 VanDerWaalsContact C-N 3.33Å; M347-I349 PolarHBondContact O-N 2.68Å; M347-K350 PolarHBondContact O-N 2.93Å; M347-K350 VanDerWaalsContact O-N 3.11Å; M347-F351 HydrophobicContact CE-CE2 4.19Å; M347-F351 WeakPolarHBondContact O-CD2 3.4Å; M347-F351 PolarHBondContact O-N 2.93Å; M347-Y381 HydrophobicContact CE-CD2 3.82Å; M347-Y381 HydrophobicContact CE-CE2 3.74Å; M347-Y381 HydrophobicContact CE-CG 4.22Å; M347-L384 HydrophobicContact CE-CB 3.87Å; M347-L384 HydrophobicContact SD-CB 4.29Å; M347-L385 HydrophobicContact CE-CB 3.97Å
348S93.4Very high91.9Very high75 Ų7541.2 Ų41.252%0.52422%0.217SC..Hα-helixtrans-57.4-44176.3-57.70000112.3G344 Q345 F351 Q352G344-S348 WeakPolarHBondContact O-CB 3.41Å; G344-S348 PolarHBondContact O-N 3.39Å; G344-S348 PolarHBondContact O-OG 3.46Å; Q345-S348 PolarHBondContact O-N 3.06Å; S348-F351 PolarHBondContact O-N 3.03Å; S348-Q352 PolarHBondContact O-N 2.63Å
349I93.2Very high92.1Very high47 Ų4744.6 Ų44.624%0.24123%0.229CC..Hα-helixtrans-64.5-41.4175.3-67.7165.6000111.2Q345 L346 M347 Q352 H353 K719Q345-I349 WeakPolarHBondContact O-CG1 3.35Å; Q345-I349 PolarHBondContact O-N 3.35Å; L346-I349 PolarHBondContact O-N 2.99Å; M347-I349 VanDerWaalsContact C-N 3.33Å; M347-I349 PolarHBondContact O-N 2.68Å; I349-Q352 PolarHBondContact O-N 3.05Å; I349-H353 VanDerWaalsContact CG2-CE1 3.41Å; I349-H353 WeakPolarHBondContact CG2-CE1 3.31Å; I349-H353 WeakPolarHBondContact O-CB 3.32Å; I349-H353 VanDerWaalsContact O-CG 3.27Å; I349-H353 PolarHBondContact O-N 3.07Å; I349-H353 PolarHBondContact O-ND1 3.3Å; I349-K719 HydrophobicContact CG2-CG 4.02Å
350K94.3Very high92.2Very high16 Ų1649.3 Ų49.37%0.0725%0.247CC..Hα-helixtrans-63.8-38.7176.2-76.2176176.4179.30112.4N339 L346 M347 L354 L384 G718N339-K350 PolarHBondContact OD1-NZ 2.64Å; L346-K350 HydrophobicContact CG-CD 4.4Å; L346-K350 WeakPolarHBondContact O-CG 3.21Å; L346-K350 PolarHBondContact O-N 3.18Å; M347-K350 PolarHBondContact O-N 2.93Å; M347-K350 VanDerWaalsContact O-N 3.11Å; K350-L354 WeakPolarHBondContact O-CB 3.37Å; K350-L354 PolarHBondContact O-N 3.32Å; K350-L384 HydrophobicContact CB-CD1 4.16Å; K350-L384 HydrophobicContact CB-CD2 4.47Å; K350-G718 WeakPolarHBondContact CE-O 3.29Å
351F95.8Very high92.2Very high11 Ų1150.7 Ų50.75%0.04826%0.258CS..Hα-helixtrans-64.5-48.3171.6-77.4-66.8000112.3M347 S348 H353 L354 K355 L377 F378 C380 Y381 L384M347-F351 HydrophobicContact CE-CE2 4.19Å; M347-F351 WeakPolarHBondContact O-CD2 3.4Å; M347-F351 PolarHBondContact O-N 2.93Å; S348-F351 PolarHBondContact O-N 3.03Å; F351-H353 VanDerWaalsContact C-N 3.27Å; F351-H353 PolarHBondContact O-N 2.8Å; F351-L354 PolarHBondContact O-N 3.25Å; F351-L354 VanDerWaalsContact O-N 3.08Å; F351-K355 WeakPolarHBondContact O-CG 3.27Å; F351-K355 PolarHBondContact O-N 3.49Å; F351-L377 HydrophobicContact CD1-CB 4.4Å; F351-L377 WeakPolarHBondContact CE1-O 3.12Å; F351-F378 HydrophobicContact CD2-CD1 4.47Å; F351-F378 HydrophobicContact CD2-CE1 4.31Å; F351-F378 HydrophobicContact CE1-CD1 4.12Å; F351-F378 HydrophobicContact CE2-CD1 4.05Å; F351-F378 HydrophobicContact CE2-CE1 4.2Å; F351-F378 AromaticContact CZ-CD1 3.84Å; F351-F378 HydrophobicContact CZ-CD1 3.84Å; F351-F378 HydrophobicContact CZ-CE1 4.43Å; F351-C380 HydrophobicContact CE1-CB 4.48Å; F351-Y381 AromaticContact CE2-CD2 3.71Å; F351-Y381 HydrophobicContact CE2-CD2 3.71Å; F351-Y381 HydrophobicContact CE2-CE2 4.38Å; F351-Y381 AromaticContact CZ-CD2 3.71Å; F351-Y381 HydrophobicContact CZ-CD2 3.71Å; F351-Y381 HydrophobicContact CZ-CG 4.23Å; F351-L384 HydrophobicContact CD1-CD1 3.9Å; F351-L384 HydrophobicContact CE1-CD1 3.84Å; F351-L384 HydrophobicContact CG-CD1 4.28Å; F351-L384 HydrophobicContact CZ-CD1 4.19Å
352Q95.2Very high92.6Very high130 Ų13046.1 Ų46.161%0.60724%0.243SC*.Hα-helixtrans-55.9-43.8177.2-176.1179.60.900111.5S348 I349 L356S348-Q352 PolarHBondContact O-N 2.63Å; I349-Q352 PolarHBondContact O-N 3.05Å; Q352-L356 WeakPolarHBondContact O-CB 3.46Å; Q352-L356 PolarHBondContact O-N 3.31Å
353H95.7Very high93.3Very high17 Ų1746 Ų468%0.07924%0.241CC..Hα-helixtrans-67.4-37175.3-69.7159.6000113.3I349 F351 L356 L357 E716 F717 G718 L725I349-H353 VanDerWaalsContact CG2-CE1 3.41Å; I349-H353 WeakPolarHBondContact CG2-CE1 3.31Å; I349-H353 WeakPolarHBondContact O-CB 3.32Å; I349-H353 VanDerWaalsContact O-CG 3.27Å; I349-H353 PolarHBondContact O-N 3.07Å; I349-H353 PolarHBondContact O-ND1 3.3Å; F351-H353 VanDerWaalsContact C-N 3.27Å; F351-H353 PolarHBondContact O-N 2.8Å; H353-L356 PolarHBondContact O-N 2.89Å; H353-L357 VanDerWaalsContact O-CB 3.26Å; H353-L357 WeakPolarHBondContact O-CB 3.43Å; H353-L357 PolarHBondContact O-N 2.74Å; H353-E716 PolarHBondContact CE1-O 3.42Å; H353-E716 VanDerWaalsContact CE1-O 3.29Å; H353-F717 HydrophobicContact CB-CD2 3.8Å; H353-F717 HydrophobicContact CB-CE2 3.66Å; H353-F717 AromaticContact CG-CD2 3.75Å; H353-G718 PolarHBondContact ND1-N 3.06Å; H353-L725 HydrophobicContact CB-CD1 3.51Å
354L96.9Very high93.9Very high0 Ų048.8 Ų48.80%025%0.252CS..Hα-helixtrans-68.7-39175.2-173.962.3000112.5K350 F351 L357 L358 L377 C380 L384 L725 C728K350-L354 WeakPolarHBondContact O-CB 3.37Å; K350-L354 PolarHBondContact O-N 3.32Å; F351-L354 PolarHBondContact O-N 3.25Å; F351-L354 VanDerWaalsContact O-N 3.08Å; L354-L357 PolarHBondContact O-N 2.92Å; L354-L358 WeakPolarHBondContact O-CB 3.48Å; L354-L358 PolarHBondContact O-N 3.23Å; L354-L377 HydrophobicContact CB-CD1 4.32Å; L354-L377 HydrophobicContact CD2-CD1 3.94Å; L354-L377 HydrophobicContact CG-CD1 3.77Å; L354-C380 HydrophobicContact CD2-CB 4.17Å; L354-L384 HydrophobicContact CD2-CD1 4.27Å; L354-L725 HydrophobicContact CB-CD2 4.4Å; L354-L725 HydrophobicContact CD1-CB 4.48Å; L354-C728 HydrophobicContact CD1-CB 3.76Å; L354-C728 HydrophobicContact CD2-CB 4.06Å
355K95.4Very high94.5Very high52 Ų5247.8 Ų47.823%0.22624%0.242CC..Hα-helixtrans-59.8-49.9172-69-168.9-170-144.30111.1F351 L357 L358 Q359 Y366 D375 L377F351-K355 WeakPolarHBondContact O-CG 3.27Å; F351-K355 PolarHBondContact O-N 3.49Å; K355-L357 VanDerWaalsContact C-N 3.34Å; K355-L357 PolarHBondContact O-N 2.85Å; K355-L358 PolarHBondContact O-N 3.3Å; K355-Q359 WeakPolarHBondContact O-CB 3.47Å; K355-Q359 PolarHBondContact O-N 3.47Å; K355-Y366 HydrophobicContact CB-CE2 4.33Å; K355-D375 VanDerWaalsContact CD-O 3.23Å; K355-D375 WeakPolarHBondContact CD-O 3.4Å; K355-D375 WeakPolarHBondContact CE-O 3.49Å; K355-D375 WeakPolarHBondContact CG-O 3.45Å; K355-D375 PolarHBondContact NZ-O 2.89Å; K355-D375 IonicContact NZ-OD2 2.67Å; K355-D375 PolarHBondContact NZ-OD2 2.94Å; K355-L377 HydrophobicContact CG-CD1 4.1Å; K355-L377 HydrophobicContact CG-CG 4.43Å
356L95.1Very high94.9Very high37 Ų3743.8 Ų43.819%0.19422%0.222CC..Hα-helixtrans-60.4-43.4178.5176.859.7000111.6Q352 H353 Q359 Y360 C709 L711 P712Q352-L356 WeakPolarHBondContact O-CB 3.46Å; Q352-L356 PolarHBondContact O-N 3.31Å; H353-L356 PolarHBondContact O-N 2.89Å; L356-Q359 PolarHBondContact O-N 3.41Å; L356-Y360 WeakPolarHBondContact O-CB 3.5Å; L356-Y360 PolarHBondContact O-N 3.45Å; L356-C709 HydrophobicContact CD1-CB 4.22Å; L356-L711 HydrophobicContact CD2-CD2 4.48Å; L356-L711 HydrophobicContact CG-CD2 4Å; L356-P712 HydrophobicContact CD2-CG 4.03Å
357L95.6Very high95.3Very high0 Ų046.7 Ų46.70%024%0.24CC..Hα-helixtrans-59.9-45.8175.5-175.551.1000112H353 L354 K355 Y360 S361 L711 F717 L725 F726 L729H353-L357 VanDerWaalsContact O-CB 3.26Å; H353-L357 WeakPolarHBondContact O-CB 3.43Å; H353-L357 PolarHBondContact O-N 2.74Å; L354-L357 PolarHBondContact O-N 2.92Å; K355-L357 VanDerWaalsContact C-N 3.34Å; K355-L357 PolarHBondContact O-N 2.85Å; L357-Y360 PolarHBondContact O-N 2.88Å; L357-S361 WeakPolarHBondContact O-CB 3.34Å; L357-S361 PolarHBondContact O-N 3.12Å; L357-S361 PolarHBondContact O-OG 3.24Å; L357-L711 HydrophobicContact CD1-CD1 4.07Å; L357-F717 HydrophobicContact CB-CZ 3.93Å; L357-F717 HydrophobicContact CD1-CE1 4.39Å; L357-F717 HydrophobicContact CD1-CZ 4.1Å; L357-F717 HydrophobicContact CD2-CE1 4.41Å; L357-F717 HydrophobicContact CD2-CZ 4.14Å; L357-F717 HydrophobicContact CG-CZ 4.25Å; L357-L725 HydrophobicContact CD2-CB 3.64Å; L357-F726 HydrophobicContact CD1-CD1 4.28Å; L357-F726 HydrophobicContact CD1-CE1 3.62Å; L357-F726 HydrophobicContact CD1-CZ 3.76Å; L357-F726 HydrophobicContact CD2-CD1 4.19Å; L357-F726 HydrophobicContact CD2-CD2 4.44Å; L357-F726 HydrophobicContact CD2-CE1 4.26Å; L357-F726 HydrophobicContact CD2-CE2 4.48Å; L357-F726 HydrophobicContact CD2-CG 4.29Å; L357-F726 HydrophobicContact CD2-CZ 4.39Å; L357-L729 HydrophobicContact CD1-CD2 4.09Å; L357-L729 HydrophobicContact CD2-CB 4.09Å; L357-L729 HydrophobicContact CD2-CD2 4.21Å; L357-L729 HydrophobicContact CG-CB 4.4Å; L357-L729 HydrophobicContact CG-CD2 3.85Å
358L96.1Very high95.5Very high0 Ų047.5 Ų47.50%024%0.243CC..Hα-helixtrans-65.7-41.4177.3-177.661.8000112L354 K355 Y360 S361 D362 F365 Y366 L369 L377 L729 L732 L733L354-L358 WeakPolarHBondContact O-CB 3.48Å; L354-L358 PolarHBondContact O-N 3.23Å; K355-L358 PolarHBondContact O-N 3.3Å; L358-Y360 VanDerWaalsContact C-N 3.29Å; L358-Y360 PolarHBondContact O-N 3.45Å; L358-S361 PolarHBondContact O-N 3.07Å; L358-D362 HydrophobicContact CD1-CB 4.34Å; L358-D362 CarbonylContact O-C 3.51Å; L358-D362 WeakPolarHBondContact O-CA 3.47Å; L358-D362 PolarHBondContact O-N 3.44Å; L358-F365 HydrophobicContact CD1-CD1 3.95Å; L358-Y366 HydrophobicContact CD2-CD2 4.41Å; L358-Y366 HydrophobicContact CG-CD2 4.47Å; L358-L369 HydrophobicContact CD2-CD1 3.64Å; L358-L377 HydrophobicContact CD2-CD1 4.4Å; L358-L377 HydrophobicContact CD2-CD2 4.16Å; L358-L729 HydrophobicContact CB-CD1 4.36Å; L358-L729 HydrophobicContact CD1-CD1 3.66Å; L358-L732 HydrophobicContact CD2-CD1 4.26Å; L358-L733 HydrophobicContact CD1-CD2 4.44Å
359Q95.1Very high95.7Very high85 Ų8544 Ų4440%0.39722%0.218SC..Hα-helixtrans-63.3-34.7176.1-175.8179.3-6.300112.4K355 L356 Y366K355-Q359 WeakPolarHBondContact O-CB 3.47Å; K355-Q359 PolarHBondContact O-N 3.47Å; L356-Q359 PolarHBondContact O-N 3.41Å; Q359-Y366 HydrophobicContact CB-CD1 3.88Å; Q359-Y366 HydrophobicContact CB-CD2 4.1Å; Q359-Y366 HydrophobicContact CB-CE1 4.16Å; Q359-Y366 HydrophobicContact CB-CE2 4.39Å; Q359-Y366 HydrophobicContact CB-CG 3.84Å; Q359-Y366 HydrophobicContact CG-CD1 3.73Å; Q359-Y366 HydrophobicContact CG-CE1 3.96Å; Q359-Y366 HydrophobicContact CG-CG 4.2Å
360Y92.8Very high95.9Very high102 Ų10245 Ų4540%0.423%0.227SC..Hα-helixtrans-71.9-50.5174.8-178.9-89000112L356 L357 L358 C709 L711L356-Y360 WeakPolarHBondContact O-CB 3.5Å; L356-Y360 PolarHBondContact O-N 3.45Å; L357-Y360 PolarHBondContact O-N 2.88Å; L358-Y360 VanDerWaalsContact C-N 3.29Å; L358-Y360 PolarHBondContact O-N 3.45Å; Y360-C709 VanDerWaalsContact CD2-O 3.26Å; Y360-C709 WeakPolarHBondContact CD2-O 3.35Å; Y360-L711 HydrophobicContact CD1-CD1 3.97Å; Y360-L711 HydrophobicContact CD1-CG 4.38Å; Y360-L711 HydrophobicContact CD2-CD2 4.33Å; Y360-L711 HydrophobicContact CD2-CG 4.11Å; Y360-L711 HydrophobicContact CE1-CD1 4.17Å; Y360-L711 HydrophobicContact CE2-CG 4.4Å; Y360-L711 HydrophobicContact CG-CD1 4.17Å; Y360-L711 HydrophobicContact CG-CD2 4.07Å; Y360-L711 HydrophobicContact CG-CG 4.09Å
361S93.4Very high96Very high42 Ų4247.8 Ų47.829%0.29425%0.249SC..Hα-helixtrans-78.6-30.9-173.7-62.80000114.4L357 L358 L729L357-S361 WeakPolarHBondContact O-CB 3.34Å; L357-S361 PolarHBondContact O-N 3.12Å; L357-S361 PolarHBondContact O-OG 3.24Å; L358-S361 PolarHBondContact O-N 3.07Å; S361-L729 WeakPolarHBondContact OG-CD2 3.32Å
362D95.4Very high96Very high23 Ų2351.6 Ų51.612%0.12326%0.263CS..  trans-150.375.6-177-156.7-42.7000111.9L358 E364 F365 Y366 L733 R736L358-D362 HydrophobicContact CD1-CB 4.34Å; L358-D362 CarbonylContact O-C 3.51Å; L358-D362 WeakPolarHBondContact O-CA 3.47Å; L358-D362 PolarHBondContact O-N 3.44Å; D362-E364 PolarHBondContact O-N 2.83Å; D362-F365 HydrophobicContact CB-CB 4.15Å; D362-F365 PolarHBondContact O-N 3.43Å; D362-F365 WeakPolarHBondContact OD1-CB 3.39Å; D362-F365 PolarHBondContact OD1-N 2.88Å; D362-Y366 PolarHBondContact O-N 3.43Å; D362-L733 HydrophobicContact CB-CD2 3.82Å; D362-L733 WeakPolarHBondContact OD2-CD2 3.37Å; D362-R736 IonicContact OD1-CZ 2.8Å; D362-R736 IonicContact OD1-NE 2.91Å; D362-R736 PolarHBondContact OD1-NE 3.02Å; D362-R736 IonicContact OD1-NH2 2.78Å; D362-R736 PolarHBondContact OD1-NH2 2.89Å; D362-R736 WeakPolarHBondContact OD2-CD 3.2Å; D362-R736 IonicContact OD2-CZ 2.95Å; D362-R736 IonicContact OD2-NE 2.99Å; D362-R736 PolarHBondContact OD2-NE 3.46Å; D362-R736 IonicContact OD2-NH2 2.72Å; D362-R736 PolarHBondContact OD2-NH2 2.98Å
363P95.6Very high95.9Very high76 Ų7647.7 Ų47.749%0.49426%0.257SS..Hα-helixtrans-63.6-25.1-177.524.2-34.2000113.3V367P363-V367 WeakPolarHBondContact O-CB 3.36Å; P363-V367 VanDerWaalsContact O-CG2 3.26Å; P363-V367 WeakPolarHBondContact O-CG2 3.36Å; P363-V367 PolarHBondContact O-N 3.34Å
364E97.2Very high95.9Very high122 Ų12246.9 Ų46.957%0.5725%0.253SS*.Hα-helixtrans-68.8-48.4174.9-170.6-165.6-174.600110.7D362 V367 Y368 R736 M740D362-E364 PolarHBondContact O-N 2.83Å; E364-V367 PolarHBondContact O-N 2.7Å; E364-Y368 PolarHBondContact O-N 3.36Å; E364-R736 IonicContact OE2-CZ 3.91Å; E364-R736 IonicContact OE2-NH1 3.02Å; E364-R736 IonicContact OE2-NH2 2.73Å; E364-R736 PolarHBondContact OE2-NH2 3.28Å; E364-M740 HydrophobicContact CG-CE 3.93Å
365F97.8Very high95.7Very high2 Ų249 Ų491%0.00927%0.265CS..Hα-helixtrans-68.3-35.7177.7-174.1-148000112.1L358 D362 Y368 L369 L732 L733 R736 I739 M740L358-F365 HydrophobicContact CD1-CD1 3.95Å; D362-F365 HydrophobicContact CB-CB 4.15Å; D362-F365 PolarHBondContact O-N 3.43Å; D362-F365 WeakPolarHBondContact OD1-CB 3.39Å; D362-F365 PolarHBondContact OD1-N 2.88Å; F365-Y368 HydrophobicContact CD2-CD1 4.2Å; F365-Y368 HydrophobicContact CE2-CD1 4.2Å; F365-Y368 WeakPolarHBondContact O-CB 3.22Å; F365-Y368 PolarHBondContact O-N 3.25Å; F365-L369 HydrophobicContact CD2-CG 4.2Å; F365-L369 HydrophobicContact CE1-CD1 4.46Å; F365-L369 HydrophobicContact CE2-CD1 4.22Å; F365-L369 HydrophobicContact CE2-CD2 3.87Å; F365-L369 HydrophobicContact CE2-CG 3.91Å; F365-L369 HydrophobicContact CZ-CD1 4.15Å; F365-L369 HydrophobicContact CZ-CD2 4.24Å; F365-L369 HydrophobicContact CZ-CG 4.32Å; F365-L369 WeakPolarHBondContact O-CG 3.48Å; F365-L369 PolarHBondContact O-N 3.2Å; F365-L732 HydrophobicContact CE1-CB 4.23Å; F365-L733 HydrophobicContact CD1-CD2 4.44Å; F365-R736 HydrophobicContact CB-CG 4Å; F365-R736 HydrophobicContact CD1-CB 4Å; F365-R736 HydrophobicContact CD1-CG 3.78Å; F365-R736 HydrophobicContact CD2-CG 4.17Å; F365-R736 HydrophobicContact CE1-CB 4.04Å; F365-R736 HydrophobicContact CE1-CG 4.29Å; F365-R736 HydrophobicContact CG-CB 4.38Å; F365-R736 HydrophobicContact CG-CG 3.73Å; F365-R736 HydrophobicContact CZ-CB 4.45Å; F365-I739 HydrophobicContact CE2-CB 4.39Å; F365-I739 HydrophobicContact CE2-CG2 3.91Å; F365-I739 HydrophobicContact CZ-CD1 4.06Å; F365-I739 HydrophobicContact CZ-CG2 4.39Å; F365-M740 HydrophobicContact CB-SD 4.04Å; F365-M740 HydrophobicContact CD2-CG 3.87Å; F365-M740 HydrophobicContact CD2-SD 3.72Å; F365-M740 HydrophobicContact CE2-CG 4.26Å; F365-M740 HydrophobicContact CG-SD 4.18Å
366Y97.4Very high95.6Very high41 Ų4148.3 Ų48.316%0.16126%0.264CS..Hα-helixtrans-59.4-48.5171.7-178.4-104.6000112.1K355 L358 Q359 D362 Y368 L369 V370 D375K355-Y366 HydrophobicContact CB-CE2 4.33Å; L358-Y366 HydrophobicContact CD2-CD2 4.41Å; L358-Y366 HydrophobicContact CG-CD2 4.47Å; Q359-Y366 HydrophobicContact CB-CD1 3.88Å; Q359-Y366 HydrophobicContact CB-CD2 4.1Å; Q359-Y366 HydrophobicContact CB-CE1 4.16Å; Q359-Y366 HydrophobicContact CB-CE2 4.39Å; Q359-Y366 HydrophobicContact CB-CG 3.84Å; Q359-Y366 HydrophobicContact CG-CD1 3.73Å; Q359-Y366 HydrophobicContact CG-CE1 3.96Å; Q359-Y366 HydrophobicContact CG-CG 4.2Å; D362-Y366 PolarHBondContact O-N 3.43Å; Y366-Y368 VanDerWaalsContact C-N 3.29Å; Y366-Y368 PolarHBondContact O-N 3.27Å; Y366-L369 PolarHBondContact O-N 3.3Å; Y366-V370 HydrophobicContact CD1-CG2 4.26Å; Y366-V370 HydrophobicContact CE1-CG2 3.85Å; Y366-V370 HydrophobicContact CE2-CG2 4.36Å; Y366-V370 WeakPolarHBondContact O-CG2 3.29Å; Y366-V370 PolarHBondContact O-N 3.1Å; Y366-D375 HydrophobicContact CE2-CB 4.43Å
367V97.3Very high95.7Very high95 Ų9546.7 Ų46.758%0.57626%0.255SS*.Hα-helixtrans-63.1-35.6176.3168.50000111.7P363 E364 V370 S371P363-V367 WeakPolarHBondContact O-CB 3.36Å; P363-V367 VanDerWaalsContact O-CG2 3.26Å; P363-V367 WeakPolarHBondContact O-CG2 3.36Å; P363-V367 PolarHBondContact O-N 3.34Å; E364-V367 PolarHBondContact O-N 2.7Å; V367-V370 PolarHBondContact O-N 3.07Å; V367-S371 WeakPolarHBondContact O-CB 3.15Å; V367-S371 PolarHBondContact O-N 3.44Å
368Y97.6Very high95.6Very high25 Ų2550.2 Ų50.210%0.09827%0.27CS..Hα-helixtrans-59-49.7172177-89.4000111.5E364 F365 Y366 V370 S371 R372 I739 M740 N743 M744E364-Y368 PolarHBondContact O-N 3.36Å; F365-Y368 HydrophobicContact CD2-CD1 4.2Å; F365-Y368 HydrophobicContact CE2-CD1 4.2Å; F365-Y368 WeakPolarHBondContact O-CB 3.22Å; F365-Y368 PolarHBondContact O-N 3.25Å; Y366-Y368 VanDerWaalsContact C-N 3.29Å; Y366-Y368 PolarHBondContact O-N 3.27Å; Y368-V370 PolarHBondContact O-N 3.03Å; Y368-S371 WeakPolarHBondContact O-CB 3.11Å; Y368-S371 PolarHBondContact O-N 2.88Å; Y368-S371 VanDerWaalsContact O-N 3.13Å; Y368-S371 PolarHBondContact O-OG 2.77Å; Y368-R372 HydrophobicContact CD1-CG 4.31Å; Y368-R372 HydrophobicContact CE1-CG 3.69Å; Y368-R372 HydrophobicContact CE2-CG 4.27Å; Y368-R372 WeakPolarHBondContact O-CG 3.49Å; Y368-R372 PolarHBondContact O-N 2.98Å; Y368-R372 VanDerWaalsContact O-N 3.15Å; Y368-R372 PolarHBondContact OH-NE 3.29Å; Y368-R372 VanDerWaalsContact OH-NE 3.1Å; Y368-I739 HydrophobicContact CD1-CG2 4.42Å; Y368-I739 HydrophobicContact CE1-CG2 3.81Å; Y368-M740 HydrophobicContact CD1-CG 3.96Å; Y368-M740 HydrophobicContact CD2-CG 4.07Å; Y368-M740 HydrophobicContact CE1-CG 4.42Å; Y368-M740 HydrophobicContact CG-CG 3.81Å; Y368-N743 VanDerWaalsContact OH-CA 3.28Å; Y368-N743 WeakPolarHBondContact OH-CA 3.49Å; Y368-N743 PolarHBondContact OH-O 3.29Å; Y368-M744 PolarHBondContact OH-N 3.19Å; Y368-M744 VanDerWaalsContact OH-N 3.13Å; Y368-M744 PolarHBondContact OH-O 3.03Å
369L97.1Very high95.6Very high0 Ų051.1 Ų51.10%027%0.274CS..Hα-helixtrans-63.2-42.4179.4-67.2177.7000112.2L358 F365 Y366 S371 R372 G373 A374 L377 I749L358-L369 HydrophobicContact CD2-CD1 3.64Å; F365-L369 HydrophobicContact CD2-CG 4.2Å; F365-L369 HydrophobicContact CE1-CD1 4.46Å; F365-L369 HydrophobicContact CE2-CD1 4.22Å; F365-L369 HydrophobicContact CE2-CD2 3.87Å; F365-L369 HydrophobicContact CE2-CG 3.91Å; F365-L369 HydrophobicContact CZ-CD1 4.15Å; F365-L369 HydrophobicContact CZ-CD2 4.24Å; F365-L369 HydrophobicContact CZ-CG 4.32Å; F365-L369 WeakPolarHBondContact O-CG 3.48Å; F365-L369 PolarHBondContact O-N 3.2Å; Y366-L369 PolarHBondContact O-N 3.3Å; L369-S371 VanDerWaalsContact C-N 3.29Å; L369-S371 PolarHBondContact O-N 3.11Å; L369-R372 CarbonylContact O-C 3.59Å; L369-R372 WeakPolarHBondContact O-CA 3.35Å; L369-R372 PolarHBondContact O-N 3.21Å; L369-G373 PolarHBondContact O-N 3.35Å; L369-G373 VanDerWaalsContact O-N 3.11Å; L369-A374 HydrophobicContact CB-CB 4.37Å; L369-A374 HydrophobicContact CD2-CB 4Å; L369-A374 PolarHBondContact O-N 3.02Å; L369-L377 HydrophobicContact CD1-CD2 3.71Å; L369-I749 HydrophobicContact CD2-CD1 3.67Å
370V96.8Very high95.6Very high68 Ų6847 Ų4741%0.41226%0.255SS..Hα-helixtrans-56.8-43.1172.2174.10000110.9Y366 V367 Y368 R372 G373 D375Y366-V370 HydrophobicContact CD1-CG2 4.26Å; Y366-V370 HydrophobicContact CE1-CG2 3.85Å; Y366-V370 HydrophobicContact CE2-CG2 4.36Å; Y366-V370 WeakPolarHBondContact O-CG2 3.29Å; Y366-V370 PolarHBondContact O-N 3.1Å; V367-V370 PolarHBondContact O-N 3.07Å; Y368-V370 PolarHBondContact O-N 3.03Å; V370-R372 PolarHBondContact O-N 2.93Å; V370-G373 PolarHBondContact O-N 3.48Å; V370-G373 VanDerWaalsContact O-N 3.15Å; V370-D375 HydrophobicContact CB-CB 4.4Å; V370-D375 HydrophobicContact CG2-CB 3.59Å
371S96.6Very high95.7Very high76 Ų7645.5 Ų45.553%0.53125%0.249SC..Hα-helixtrans-67.2-17.117882.20000114.3V367 Y368 L369V367-S371 WeakPolarHBondContact O-CB 3.15Å; V367-S371 PolarHBondContact O-N 3.44Å; Y368-S371 WeakPolarHBondContact O-CB 3.11Å; Y368-S371 PolarHBondContact O-N 2.88Å; Y368-S371 VanDerWaalsContact O-N 3.13Å; Y368-S371 PolarHBondContact O-OG 2.77Å; L369-S371 VanDerWaalsContact C-N 3.29Å; L369-S371 PolarHBondContact O-N 3.11Å
372R95.2Very high95.8Very high91 Ų9146.4 Ų46.434%0.34325%0.246SC..THydrogen-bonded Turntrans-100.1-2.1176.7-68.3-76.8160.9-116-5.9113.3Y368 L369 V370 A374 N743 M744Y368-R372 HydrophobicContact CD1-CG 4.31Å; Y368-R372 HydrophobicContact CE1-CG 3.69Å; Y368-R372 HydrophobicContact CE2-CG 4.27Å; Y368-R372 WeakPolarHBondContact O-CG 3.49Å; Y368-R372 PolarHBondContact O-N 2.98Å; Y368-R372 VanDerWaalsContact O-N 3.15Å; Y368-R372 PolarHBondContact OH-NE 3.29Å; Y368-R372 VanDerWaalsContact OH-NE 3.1Å; L369-R372 CarbonylContact O-C 3.59Å; L369-R372 WeakPolarHBondContact O-CA 3.35Å; L369-R372 PolarHBondContact O-N 3.21Å; V370-R372 PolarHBondContact O-N 2.93Å; R372-A374 VanDerWaalsContact C-N 3.26Å; R372-A374 HydrophobicContact CB-CB 4.24Å; R372-N743 VanDerWaalsContact NH2-CG 3.31Å; R372-N743 PolarHBondContact NH2-ND2 3.49Å; R372-N743 VanDerWaalsContact NH2-ND2 3.15Å; R372-N743 PolarHBondContact NH2-OD1 2.98Å; R372-M744 WeakPolarHBondContact CD-O 3.35Å
373G94.3Very high95.9Very high48 Ų4845.3 Ų45.350%0.49524%0.24SC..THydrogen-bonded Turntrans67.128-172.300000113L369 V370L369-G373 PolarHBondContact O-N 3.35Å; L369-G373 VanDerWaalsContact O-N 3.11Å; V370-G373 PolarHBondContact O-N 3.48Å; V370-G373 VanDerWaalsContact O-N 3.15Å
374A95Very high95.8Very high0 Ų041.9 Ų41.90%022%0.218CC..  trans-11716.6-173.600000113.1L369 R372 D376 F379 Y746 I749L369-A374 HydrophobicContact CB-CB 4.37Å; L369-A374 HydrophobicContact CD2-CB 4Å; L369-A374 PolarHBondContact O-N 3.02Å; R372-A374 VanDerWaalsContact C-N 3.26Å; R372-A374 HydrophobicContact CB-CB 4.24Å; A374-D376 VanDerWaalsContact C-N 3.29Å; A374-D376 PolarHBondContact O-N 2.64Å; A374-F379 HydrophobicContact CB-CE1 4.42Å; A374-Y746 HydrophobicContact CB-CD2 3.82Å; A374-I749 HydrophobicContact CB-CD1 4.32Å
375D93.8Very high95.7Very high44 Ų4437 Ų3724%0.23520%0.195CC..THydrogen-bonded Turntrans-76.7-1217872.6-86.2000113.5K355 Y366 V370 L377K355-D375 VanDerWaalsContact CD-O 3.23Å; K355-D375 WeakPolarHBondContact CD-O 3.4Å; K355-D375 WeakPolarHBondContact CE-O 3.49Å; K355-D375 WeakPolarHBondContact CG-O 3.45Å; K355-D375 PolarHBondContact NZ-O 2.89Å; K355-D375 IonicContact NZ-OD2 2.67Å; K355-D375 PolarHBondContact NZ-OD2 2.94Å; Y366-D375 HydrophobicContact CE2-CB 4.43Å; V370-D375 HydrophobicContact CB-CB 4.4Å; V370-D375 HydrophobicContact CG2-CB 3.59Å; D375-L377 PolarHBondContact O-N 3.12Å
376D92.5Very high95.6Very high38 Ų3837.4 Ų37.420%0.20320%0.198CC..THydrogen-bonded Turntrans-62.4-24.9172.466.322.6000113A374 F378 Y746A374-D376 VanDerWaalsContact C-N 3.29Å; A374-D376 PolarHBondContact O-N 2.64Å; D376-F378 HydrophobicContact CB-CD1 4.49Å; D376-F378 HydrophobicContact CB-CD2 3.71Å; D376-F378 HydrophobicContact CB-CE2 3.84Å; D376-F378 HydrophobicContact CB-CG 4.06Å; D376-F378 HydrophobicContact CB-CZ 4.29Å; D376-F378 PolarHBondContact O-N 3.34Å; D376-F378 PolarHBondContact OD1-N 3.47Å; D376-F378 WeakPolarHBondContact OD2-CD2 3.47Å; D376-Y746 WeakPolarHBondContact OD1-CE2 3.21Å
377L96.3Very high95.5Very high2 Ų235.6 Ų35.61%0.0119%0.191CC..  trans55.824.9-175.1-52.4178.5000113.1F351 L354 K355 L358 L369 D375 F379 C380F351-L377 HydrophobicContact CD1-CB 4.4Å; F351-L377 WeakPolarHBondContact CE1-O 3.12Å; L354-L377 HydrophobicContact CB-CD1 4.32Å; L354-L377 HydrophobicContact CD2-CD1 3.94Å; L354-L377 HydrophobicContact CG-CD1 3.77Å; K355-L377 HydrophobicContact CG-CD1 4.1Å; K355-L377 HydrophobicContact CG-CG 4.43Å; L358-L377 HydrophobicContact CD2-CD1 4.4Å; L358-L377 HydrophobicContact CD2-CD2 4.16Å; L369-L377 HydrophobicContact CD1-CD2 3.71Å; D375-L377 PolarHBondContact O-N 3.12Å; L377-F379 HydrophobicContact CD2-CE1 4.29Å; L377-F379 HydrophobicContact CD2-CE2 4.48Å; L377-F379 HydrophobicContact CD2-CZ 3.72Å; L377-F379 PolarHBondContact O-N 3.17Å; L377-F379 VanDerWaalsContact O-N 3.15Å; L377-C380 WeakPolarHBondContact O-CA 3.21Å; L377-C380 WeakPolarHBondContact O-CB 3.44Å; L377-C380 PolarHBondContact O-N 3.46Å
378F94.6Very high95.4Very high74 Ų7431.1 Ų31.133%0.32516%0.164SC..G310 helixtrans-65.1-20.2-174.6-74-34.8000113.9F351 D376 C380 Y381F351-F378 HydrophobicContact CD2-CD1 4.47Å; F351-F378 HydrophobicContact CD2-CE1 4.31Å; F351-F378 HydrophobicContact CE1-CD1 4.12Å; F351-F378 HydrophobicContact CE2-CD1 4.05Å; F351-F378 HydrophobicContact CE2-CE1 4.2Å; F351-F378 AromaticContact CZ-CD1 3.84Å; F351-F378 HydrophobicContact CZ-CD1 3.84Å; F351-F378 HydrophobicContact CZ-CE1 4.43Å; D376-F378 HydrophobicContact CB-CD1 4.49Å; D376-F378 HydrophobicContact CB-CD2 3.71Å; D376-F378 HydrophobicContact CB-CE2 3.84Å; D376-F378 HydrophobicContact CB-CG 4.06Å; D376-F378 HydrophobicContact CB-CZ 4.29Å; D376-F378 PolarHBondContact O-N 3.34Å; D376-F378 PolarHBondContact OD1-N 3.47Å; D376-F378 WeakPolarHBondContact OD2-CD2 3.47Å; F378-C380 PolarHBondContact O-N 3.22Å; F378-Y381 WeakPolarHBondContact O-CB 3.39Å; F378-Y381 PolarHBondContact O-N 3.37Å
379F94.9Very high95.3Very high19 Ų1930.1 Ų30.18%0.08316%0.16CC..G310 helixtrans-59.7-19.7165.953.7-92000113.5A374 L377 L732 Y746 I749 A750 F753A374-F379 HydrophobicContact CB-CE1 4.42Å; L377-F379 HydrophobicContact CD2-CE1 4.29Å; L377-F379 HydrophobicContact CD2-CE2 4.48Å; L377-F379 HydrophobicContact CD2-CZ 3.72Å; L377-F379 PolarHBondContact O-N 3.17Å; L377-F379 VanDerWaalsContact O-N 3.15Å; F379-L732 HydrophobicContact CE2-CD2 3.81Å; F379-Y746 HydrophobicContact CD1-CD2 4.31Å; F379-Y746 AromaticContact CD1-CE2 3.84Å; F379-Y746 HydrophobicContact CD1-CE2 3.84Å; F379-Y746 HydrophobicContact CE1-CE2 4.4Å; F379-I749 HydrophobicContact CD1-CG2 4.09Å; F379-I749 HydrophobicContact CD2-CG2 4.02Å; F379-I749 HydrophobicContact CE1-CG2 3.88Å; F379-I749 HydrophobicContact CE2-CG2 3.79Å; F379-I749 HydrophobicContact CG-CG2 4.16Å; F379-I749 HydrophobicContact CZ-CG2 3.72Å; F379-A750 HydrophobicContact CB-CB 4.06Å; F379-F753 AromaticContact CD2-CD2 3.71Å; F379-F753 HydrophobicContact CD2-CD2 3.71Å; F379-F753 AromaticContact CD2-CE2 3.94Å; F379-F753 HydrophobicContact CD2-CE2 3.94Å; F379-F753 HydrophobicContact CE2-CD2 4.02Å; F379-F753 AromaticContact CE2-CE2 3.74Å; F379-F753 HydrophobicContact CE2-CE2 3.74Å
380C96.4Very high95.2Very high0 Ų031.7 Ų31.70%017%0.166CC..G310 helixtrans-85.31.3171.6-54.60000113.9F351 L354 L377 F378 R382 W383 L384F351-C380 HydrophobicContact CE1-CB 4.48Å; L354-C380 HydrophobicContact CD2-CB 4.17Å; L377-C380 WeakPolarHBondContact O-CA 3.21Å; L377-C380 WeakPolarHBondContact O-CB 3.44Å; L377-C380 PolarHBondContact O-N 3.46Å; F378-C380 PolarHBondContact O-N 3.22Å; C380-R382 PolarHBondContact O-N 3.33Å; C380-W383 HydrophobicContact CB-CD2 4.13Å; C380-W383 HydrophobicContact CB-CE3 3.78Å; C380-W383 HydrophobicContact CB-CZ3 4.28Å; C380-W383 VanDerWaalsContact O-CB 3.27Å; C380-W383 WeakPolarHBondContact O-CB 3.41Å; C380-W383 PolarHBondContact O-N 3.39Å; C380-W383 WeakPolarHBondContact SG-CZ3 3.3Å; C380-L384 PolarHBondContact O-N 3.22Å
381Y94.8Very high95.2Very high70 Ų7028.5 Ų28.528%0.27515%0.146SC..Hα-helixtrans-56.9-46.4-175-175-86.9000112.7M347 F351 F378 W383 L384 L385M347-Y381 HydrophobicContact CE-CD2 3.82Å; M347-Y381 HydrophobicContact CE-CE2 3.74Å; M347-Y381 HydrophobicContact CE-CG 4.22Å; F351-Y381 AromaticContact CE2-CD2 3.71Å; F351-Y381 HydrophobicContact CE2-CD2 3.71Å; F351-Y381 HydrophobicContact CE2-CE2 4.38Å; F351-Y381 AromaticContact CZ-CD2 3.71Å; F351-Y381 HydrophobicContact CZ-CD2 3.71Å; F351-Y381 HydrophobicContact CZ-CG 4.23Å; F378-Y381 WeakPolarHBondContact O-CB 3.39Å; F378-Y381 PolarHBondContact O-N 3.37Å; Y381-W383 PolarHBondContact O-N 2.84Å; Y381-L384 PolarHBondContact O-N 2.96Å; Y381-L385 HydrophobicContact CD1-CD2 4.36Å; Y381-L385 HydrophobicContact CE1-CB 4.43Å; Y381-L385 HydrophobicContact CE1-CD2 3.63Å; Y381-L385 WeakPolarHBondContact O-CB 3.43Å; Y381-L385 PolarHBondContact O-N 3.29Å
382R95.3Very high95.2Very high61 Ų6124.9 Ų24.923%0.2312%0.121CC..Hα-helixtrans-57.7-36.1175.9-174.8175.765-123.7-4.2112.4C380 L386 R390 E391 D754C380-R382 PolarHBondContact O-N 3.33Å; R382-L386 HydrophobicContact CG-CD1 3.8Å; R382-L386 HydrophobicContact CG-CG 4.4Å; R382-L386 WeakPolarHBondContact O-CB 3.42Å; R382-L386 PolarHBondContact O-N 2.93Å; R382-R390 HydrophobicContact CG-CB 4.31Å; R382-R390 HydrophobicContact CG-CG 4.48Å; R382-E391 IonicContact CZ-OE1 2.83Å; R382-E391 IonicContact CZ-OE2 3.2Å; R382-E391 IonicContact NE-OE1 3.71Å; R382-E391 PolarHBondContact NE-OE1 2.94Å; R382-E391 IonicContact NE-OE2 3.96Å; R382-E391 IonicContact NH2-OE1 2.75Å; R382-E391 IonicContact NH2-OE2 2.77Å; R382-E391 PolarHBondContact NH2-OE2 3.42Å; R382-D754 IonicContact CZ-OD1 2.72Å; R382-D754 VanDerWaalsContact CZ-OD1 3.26Å; R382-D754 IonicContact NH1-OD1 3.58Å; R382-D754 PolarHBondContact NH1-OD1 3.22Å; R382-D754 IonicContact NH2-OD1 3.96Å; R382-D754 PolarHBondContact NH2-OD1 2.95Å
383W96.8Very high95.2Very high0 Ų022.7 Ų22.70%012%0.122CC..Hα-helixtrans-67.8-45.4-177.2-57.3-4000111.9C380 Y381 E387 L388 E391 C728 I731 L732 F753C380-W383 HydrophobicContact CB-CD2 4.13Å; C380-W383 HydrophobicContact CB-CE3 3.78Å; C380-W383 HydrophobicContact CB-CZ3 4.28Å; C380-W383 VanDerWaalsContact O-CB 3.27Å; C380-W383 WeakPolarHBondContact O-CB 3.41Å; C380-W383 PolarHBondContact O-N 3.39Å; C380-W383 WeakPolarHBondContact SG-CZ3 3.3Å; Y381-W383 PolarHBondContact O-N 2.84Å; W383-E387 PolarHBondContact O-N 3.35Å; W383-L388 HydrophobicContact CB-CD2 3.48Å; W383-L388 VanDerWaalsContact CB-CD2 3.48Å; W383-L388 HydrophobicContact CB-CG 4.15Å; W383-L388 HydrophobicContact CD2-CD2 3.96Å; W383-L388 HydrophobicContact CE3-CD2 4.4Å; W383-L388 HydrophobicContact CG-CD2 3.55Å; W383-L388 PolarHBondContact O-N 3.09Å; W383-E391 VanDerWaalsContact CD1-CG 3.4Å; W383-E391 HydrophobicContact CG-CG 4.16Å; W383-E391 PolarHBondContact NE1-OE2 3.25Å; W383-C728 HydrophobicContact CE3-CB 4.11Å; W383-I731 HydrophobicContact CH2-CB 4.2Å; W383-I731 HydrophobicContact CH2-CG2 3.49Å; W383-I731 VanDerWaalsContact CH2-CG2 3.49Å; W383-I731 HydrophobicContact CZ2-CG2 3.95Å; W383-I731 HydrophobicContact CZ3-CB 4.17Å; W383-I731 HydrophobicContact CZ3-CG2 3.97Å; W383-L732 HydrophobicContact CH2-CD2 4.04Å; W383-L732 HydrophobicContact CZ3-CD2 3.89Å; W383-L732 HydrophobicContact CZ3-CG 4.07Å; W383-F753 AromaticContact CH2-CD1 3.75Å; W383-F753 HydrophobicContact CH2-CD1 3.75Å; W383-F753 HydrophobicContact CH2-CD2 4.27Å; W383-F753 AromaticContact CH2-CE1 3.72Å; W383-F753 HydrophobicContact CH2-CE1 3.72Å; W383-F753 HydrophobicContact CH2-CE2 4.24Å; W383-F753 HydrophobicContact CH2-CG 4.05Å; W383-F753 AromaticContact CH2-CZ 3.98Å; W383-F753 HydrophobicContact CH2-CZ 3.98Å; W383-F753 HydrophobicContact CZ2-CB 4.06Å; W383-F753 AromaticContact CZ2-CD1 3.58Å; W383-F753 HydrophobicContact CZ2-CD1 3.58Å; W383-F753 HydrophobicContact CZ2-CD2 4.29Å; W383-F753 HydrophobicContact CZ2-CE1 4.05Å; W383-F753 AromaticContact CZ2-CG 3.72Å; W383-F753 HydrophobicContact CZ2-CG 3.72Å
384L95.2Very high95.3Very high4 Ų421.6 Ų21.62%0.02110%0.104CC..Hα-helixtrans-75.3-35.1-179.2-67.4173.9000112.4N339 M347 K350 F351 L354 C380 Y381 L725N339-L384 PolarHBondContact ND2-O 3.44Å; M347-L384 HydrophobicContact CE-CB 3.87Å; M347-L384 HydrophobicContact SD-CB 4.29Å; K350-L384 HydrophobicContact CB-CD1 4.16Å; K350-L384 HydrophobicContact CB-CD2 4.47Å; F351-L384 HydrophobicContact CD1-CD1 3.9Å; F351-L384 HydrophobicContact CE1-CD1 3.84Å; F351-L384 HydrophobicContact CG-CD1 4.28Å; F351-L384 HydrophobicContact CZ-CD1 4.19Å; L354-L384 HydrophobicContact CD2-CD1 4.27Å; C380-L384 PolarHBondContact O-N 3.22Å; Y381-L384 PolarHBondContact O-N 2.96Å; L384-L725 HydrophobicContact CD2-CD2 3.84Å
385L94.4Very high95.3Very high18 Ų1826.4 Ų26.49%0.09413%0.129CC..Hα-helixtrans-71.9-45.7178.3-176.859.8000112.2N339 F340 M347 Y381N339-L385 HydrophobicContact CB-CD1 3.67Å; F340-L385 HydrophobicContact CD1-CD1 3.69Å; F340-L385 HydrophobicContact CE1-CD1 3.47Å; F340-L385 VanDerWaalsContact CE1-CD1 3.47Å; F340-L385 HydrophobicContact CE1-CD2 4.34Å; F340-L385 HydrophobicContact CE1-CG 3.92Å; F340-L385 HydrophobicContact CE2-CD1 4.4Å; F340-L385 HydrophobicContact CG-CD1 4.26Å; F340-L385 HydrophobicContact CZ-CD1 3.85Å; F340-L385 HydrophobicContact CZ-CG 4.31Å; M347-L385 HydrophobicContact CE-CB 3.97Å; Y381-L385 HydrophobicContact CD1-CD2 4.36Å; Y381-L385 HydrophobicContact CE1-CB 4.43Å; Y381-L385 HydrophobicContact CE1-CD2 3.63Å; Y381-L385 WeakPolarHBondContact O-CB 3.43Å; Y381-L385 PolarHBondContact O-N 3.29Å
386L95.2Very high95.4Very high11 Ų1127.2 Ų27.26%0.05813%0.134CC..THydrogen-bonded Turntrans-102.918.3-170.4-52.4-177.1000114.4G307 D310 R382 L388 K389 R390G307-L386 WeakPolarHBondContact O-CD2 3.43Å; D310-L386 HydrophobicContact CB-CD1 4.21Å; D310-L386 HydrophobicContact CB-CD2 4.38Å; R382-L386 HydrophobicContact CG-CD1 3.8Å; R382-L386 HydrophobicContact CG-CG 4.4Å; R382-L386 WeakPolarHBondContact O-CB 3.42Å; R382-L386 PolarHBondContact O-N 2.93Å; L386-L388 PolarHBondContact O-N 2.85Å; L386-L388 VanDerWaalsContact O-N 3.17Å; L386-K389 WeakPolarHBondContact O-CB 3.41Å; L386-K389 PolarHBondContact O-N 2.73Å; L386-R390 HydrophobicContact CD1-CG 3.83Å
387E94.4Very high95.6Very high4 Ų425.5 Ų25.52%0.01913%0.125CC..THydrogen-bonded Turntrans43.547.5-173.1-64.8-161.1142.900113.5R335 L336 W383 K389 L401 W405 N721 M724R335-E387 IonicContact CZ-OE1 3.61Å; R335-E387 IonicContact NH2-OE1 3.63Å; R335-E387 PolarHBondContact NH2-OE1 3.2Å; R335-E387 IonicContact NH2-OE2 3.21Å; R335-E387 PolarHBondContact NH2-OE2 3.04Å; L336-E387 HydrophobicContact CD1-CG 4.38Å; L336-E387 HydrophobicContact CD2-CG 4.06Å; W383-E387 PolarHBondContact O-N 3.35Å; E387-K389 PolarHBondContact O-N 2.72Å; E387-L401 HydrophobicContact CB-CD2 3.83Å; E387-W405 PolarHBondContact OE2-NE1 3.23Å; E387-N721 PolarHBondContact OE1-ND2 2.84Å; E387-M724 HydrophobicContact CB-CE 4.34Å; E387-M724 HydrophobicContact CB-SD 4.14Å; E387-M724 HydrophobicContact CG-SD 4.31Å
388L96.5Very high95.7Very high1 Ų125.7 Ų25.71%0.00513%0.126CC..THydrogen-bonded Turntrans58.510.1-178.3-69.3160.9000116.6W383 L386 R390 E391 F392 M724 L727 I731W383-L388 HydrophobicContact CB-CD2 3.48Å; W383-L388 VanDerWaalsContact CB-CD2 3.48Å; W383-L388 HydrophobicContact CB-CG 4.15Å; W383-L388 HydrophobicContact CD2-CD2 3.96Å; W383-L388 HydrophobicContact CE3-CD2 4.4Å; W383-L388 HydrophobicContact CG-CD2 3.55Å; W383-L388 PolarHBondContact O-N 3.09Å; L386-L388 PolarHBondContact O-N 2.85Å; L386-L388 VanDerWaalsContact O-N 3.17Å; L388-R390 PolarHBondContact O-N 3.27Å; L388-E391 HydrophobicContact CB-CG 4.38Å; L388-E391 HydrophobicContact CD2-CB 4.22Å; L388-E391 HydrophobicContact CD2-CG 3.53Å; L388-E391 PolarHBondContact O-N 2.77Å; L388-F392 HydrophobicContact CB-CD2 4.33Å; L388-F392 HydrophobicContact CB-CE2 3.97Å; L388-F392 HydrophobicContact CD1-CE2 4.49Å; L388-M724 HydrophobicContact CD1-CE 3.96Å; L388-M724 HydrophobicContact CG-CE 4.02Å; L388-L727 HydrophobicContact CD1-CB 3.53Å; L388-L727 HydrophobicContact CD1-CD1 4.39Å; L388-I731 HydrophobicContact CD1-CD1 4.26Å; L388-I731 HydrophobicContact CD2-CD1 3.56Å
389K95.6Very high95.7Very high4 Ų424.4 Ų24.42%0.01712%0.119CC..THydrogen-bonded Turntrans-56.9-21-176.6171.257.5-174.756.20115.5D270 D310 P314 L386 E387 A397 L401D270-K389 IonicContact OD1-NZ 2.64Å; D270-K389 IonicContact OD2-NZ 2.64Å; D270-K389 PolarHBondContact OD2-NZ 2.89Å; D310-K389 WeakPolarHBondContact O-CG 3.43Å; P314-K389 HydrophobicContact CB-CD 4.43Å; P314-K389 HydrophobicContact CG-CD 4.08Å; L386-K389 WeakPolarHBondContact O-CB 3.41Å; L386-K389 PolarHBondContact O-N 2.73Å; E387-K389 PolarHBondContact O-N 2.72Å; K389-A397 HydrophobicContact CD-CB 3.81Å; K389-L401 HydrophobicContact CD-CD1 4.29Å
390R95.6Very high95.8Very high33 Ų3323.6 Ų23.613%0.12512%0.115CC..THydrogen-bonded Turntrans-90.9-16175.9-73.1-71.7-168.8169.91.5113.7D310 R382 L386 L388 R758D310-R390 VanDerWaalsContact CG-CZ 3.48Å; D310-R390 IonicContact OD1-CZ 2.7Å; D310-R390 IonicContact OD1-NE 3.9Å; D310-R390 PolarHBondContact OD1-NE 2.86Å; D310-R390 IonicContact OD1-NH1 3.72Å; D310-R390 IonicContact OD1-NH2 3.85Å; D310-R390 PolarHBondContact OD1-NH2 3.19Å; D310-R390 IonicContact OD2-CZ 3.53Å; D310-R390 IonicContact OD2-NE 2.74Å; D310-R390 PolarHBondContact OD2-NE 2.91Å; D310-R390 IonicContact OD2-NH2 3.64Å; D310-R390 PolarHBondContact OD2-NH2 3.48Å; R382-R390 HydrophobicContact CG-CB 4.31Å; R382-R390 HydrophobicContact CG-CG 4.48Å; L386-R390 HydrophobicContact CD1-CG 3.83Å; L388-R390 PolarHBondContact O-N 3.27Å; R390-R758 WeakPolarHBondContact O-CG 3.47Å; R390-R758 PolarHBondContact O-N 2.91Å
391E95.7Very high95.8Very high0 Ų023.8 Ų23.80%012%0.116CC..THydrogen-bonded Turntrans-87.2-17.4-172.5-43-38.1117.800113R382 W383 L388 R758 R759 H760R382-E391 IonicContact CZ-OE1 2.83Å; R382-E391 IonicContact CZ-OE2 3.2Å; R382-E391 IonicContact NE-OE1 3.71Å; R382-E391 PolarHBondContact NE-OE1 2.94Å; R382-E391 IonicContact NE-OE2 3.96Å; R382-E391 IonicContact NH2-OE1 2.75Å; R382-E391 IonicContact NH2-OE2 2.77Å; R382-E391 PolarHBondContact NH2-OE2 3.42Å; W383-E391 VanDerWaalsContact CD1-CG 3.4Å; W383-E391 HydrophobicContact CG-CG 4.16Å; W383-E391 PolarHBondContact NE1-OE2 3.25Å; L388-E391 HydrophobicContact CB-CG 4.38Å; L388-E391 HydrophobicContact CD2-CB 4.22Å; L388-E391 HydrophobicContact CD2-CG 3.53Å; L388-E391 PolarHBondContact O-N 2.77Å; E391-R758 CarbonylContact O-C 3.57Å; E391-R758 VanDerWaalsContact O-CA 3.3Å; E391-R758 WeakPolarHBondContact O-CA 3.17Å; E391-R758 PolarHBondContact O-N 2.95Å; E391-R759 PolarHBondContact O-N 2.94Å; E391-H760 PolarHBondContact O-N 3.36Å
392F96.8Very high95.9Very high1 Ų120.5 Ų20.50%0.00410%0.103CC..SBendtrans-112.8154.7179.6-61.3-74.6000112.6L388 D396 A397 M400 I731 H760 L762 V765L388-F392 HydrophobicContact CB-CD2 4.33Å; L388-F392 HydrophobicContact CB-CE2 3.97Å; L388-F392 HydrophobicContact CD1-CE2 4.49Å; F392-D396 HydrophobicContact CB-CB 4.07Å; F392-A397 HydrophobicContact CB-CB 4.04Å; F392-M400 HydrophobicContact CD2-CB 4.25Å; F392-M400 HydrophobicContact CD2-CG 3.69Å; F392-M400 HydrophobicContact CE2-CG 3.49Å; F392-M400 VanDerWaalsContact CE2-CG 3.49Å; F392-M400 HydrophobicContact CZ-CG 4.19Å; F392-I731 HydrophobicContact CZ-CD1 4.36Å; F392-H760 HydrophobicContact CD1-CB 4.07Å; F392-H760 WeakPolarHBondContact CD1-O 3.35Å; F392-H760 HydrophobicContact CE1-CB 3.7Å; F392-H760 HydrophobicContact CZ-CB 4.32Å; F392-L762 HydrophobicContact CD1-CB 4.07Å; F392-L762 HydrophobicContact CD1-CD1 4.21Å; F392-L762 HydrophobicContact CE1-CB 4.17Å; F392-L762 HydrophobicContact CE1-CD1 4.13Å; F392-L762 HydrophobicContact CZ-CD1 4.38Å; F392-V765 HydrophobicContact CE1-CB 4.43Å; F392-V765 HydrophobicContact CE1-CG2 4.36Å; F392-V765 HydrophobicContact CZ-CB 4.2Å; F392-V765 HydrophobicContact CZ-CG1 4.08Å; F392-V765 HydrophobicContact CZ-CG2 4.33Å
393A95.6Very high95.9Very high44 Ų4417.6 Ų17.636%0.3649%0.093SC..  trans-61.1158.3168.100000110.7D395 D396 A397 R758A393-D395 PolarHBondContact O-N 2.74Å; A393-D396 CarbonylContact O-C 3.54Å; A393-D396 PolarHBondContact O-N 2.96Å; A393-D396 VanDerWaalsContact O-N 3.14Å; A393-A397 WeakPolarHBondContact O-CB 3.32Å; A393-A397 PolarHBondContact O-N 3.14Å; A393-R758 PolarHBondContact N-O 3.05Å
394F95.9Very high95.7Very high26 Ų2617.6 Ų17.611%0.1149%0.093CC..Hα-helixtrans-55.4-54.3-165.8-165-89.6000113.6D270 H273 A317 D396 A397 L398D270-F394 HydrophobicContact CB-CD2 4.42Å; D270-F394 HydrophobicContact CB-CE2 4.24Å; D270-F394 WeakPolarHBondContact OD2-CE2 3.38Å; H273-F394 HydrophobicContact CB-CD2 4.19Å; H273-F394 HydrophobicContact CB-CE2 4.48Å; H273-F394 HydrophobicContact CB-CG 4.43Å; H273-F394 AromaticContact CD2-CD1 3.51Å; H273-F394 AromaticContact CD2-CE1 3.95Å; H273-F394 AromaticContact CD2-CG 3.67Å; H273-F394 AromaticContact CE1-CD1 3.89Å; H273-F394 AromaticContact CE1-CE1 3.53Å; H273-F394 AromaticContact CE1-CZ 3.93Å; H273-F394 AromaticContact CG-CG 3.96Å; H273-F394 AromaticContact ND1-CE1 3.89Å; H273-F394 AromaticContact ND1-CZ 3.86Å; H273-F394 AromaticContact NE2-CD1 3.47Å; H273-F394 WeakPolarHBondContact NE2-CD1 3.44Å; H273-F394 AromaticContact NE2-CE1 3.59Å; A317-F394 HydrophobicContact CB-CE1 4.12Å; A317-F394 HydrophobicContact CB-CZ 3.77Å; F394-D396 PolarHBondContact O-N 3.42Å; F394-A397 WeakPolarHBondContact O-CB 3.38Å; F394-A397 PolarHBondContact O-N 3.38Å; F394-A397 VanDerWaalsContact O-N 3.15Å; F394-L398 HydrophobicContact CD1-CD1 4.2Å; F394-L398 HydrophobicContact CD1-CG 4.27Å; F394-L398 HydrophobicContact CE1-CD1 4.04Å; F394-L398 HydrophobicContact CE1-CD2 4.03Å; F394-L398 HydrophobicContact CE1-CG 4.2Å; F394-L398 HydrophobicContact CZ-CD2 4.48Å; F394-L398 WeakPolarHBondContact O-CG 3.5Å; F394-L398 PolarHBondContact O-N 3.45Å
395D94.8Very high95.7Very high100 Ų10017.6 Ų17.654%0.5359%0.092SC..Hα-helixtrans-63.6-37.1177.8-72.3-77.6000114.2A393 A397 L398 R399A393-D395 PolarHBondContact O-N 2.74Å; D395-A397 VanDerWaalsContact C-N 3.31Å; D395-L398 PolarHBondContact O-N 3.42Å; D395-R399 PolarHBondContact O-N 3.2Å; D395-R399 VanDerWaalsContact O-N 3.16Å
396D96.3Very high95.6Very high62 Ų6217 Ų1733%0.3329%0.09SC..Hα-helixtrans-64.5-39.4173.9-88.9-24.6000110.4F392 A393 F394 R399 M400 L762F392-D396 HydrophobicContact CB-CB 4.07Å; A393-D396 CarbonylContact O-C 3.54Å; A393-D396 PolarHBondContact O-N 2.96Å; A393-D396 VanDerWaalsContact O-N 3.14Å; F394-D396 PolarHBondContact O-N 3.42Å; D396-R399 CarbonylContact O-C 3.59Å; D396-R399 PolarHBondContact O-N 3.04Å; D396-M400 WeakPolarHBondContact O-CB 3.41Å; D396-M400 PolarHBondContact O-N 3.02Å; D396-L762 HydrophobicContact CB-CB 4.04Å; D396-L762 HydrophobicContact CB-CD2 3.93Å; D396-L762 HydrophobicContact CB-CG 4.46Å; D396-L762 WeakPolarHBondContact O-CD2 3.48Å; D396-L762 VanDerWaalsContact OD1-CD2 3.26Å; D396-L762 WeakPolarHBondContact OD1-CD2 3.45Å
397A96.8Very high95.3Very high1 Ų118 Ų181%0.00810%0.097CC..Hα-helixtrans-65.7-37.9176.100000112K389 F392 A393 F394 D395 R399 M400 L401K389-A397 HydrophobicContact CD-CB 3.81Å; F392-A397 HydrophobicContact CB-CB 4.04Å; A393-A397 WeakPolarHBondContact O-CB 3.32Å; A393-A397 PolarHBondContact O-N 3.14Å; F394-A397 WeakPolarHBondContact O-CB 3.38Å; F394-A397 PolarHBondContact O-N 3.38Å; F394-A397 VanDerWaalsContact O-N 3.15Å; D395-A397 VanDerWaalsContact C-N 3.31Å; A397-R399 VanDerWaalsContact C-N 3.33Å; A397-R399 PolarHBondContact O-N 3.13Å; A397-M400 WeakPolarHBondContact O-CB 3.27Å; A397-M400 PolarHBondContact O-N 2.85Å; A397-L401 WeakPolarHBondContact O-CB 3.29Å; A397-L401 VanDerWaalsContact O-CG 3.26Å; A397-L401 WeakPolarHBondContact O-CG 3.15Å; A397-L401 PolarHBondContact O-N 2.85Å
398L97.2Very high94.7Very high7 Ų719 Ų194%0.03710%0.102CC..Hα-helixtrans-58.1-46.5171.9-59.1-179.1000110.9R208 W212 P314 V318 F394 D395 M400 E402R208-L398 VanDerWaalsContact NH1-CD1 3.33Å; W212-L398 HydrophobicContact CH2-CB 4.41Å; W212-L398 HydrophobicContact CH2-CD2 3.6Å; W212-L398 HydrophobicContact CZ2-CB 4.1Å; W212-L398 HydrophobicContact CZ2-CD2 4.1Å; P314-L398 HydrophobicContact CB-CD2 3.47Å; P314-L398 VanDerWaalsContact CB-CD2 3.47Å; V318-L398 HydrophobicContact CG2-CD1 4.13Å; V318-L398 HydrophobicContact CG2-CD2 4.03Å; F394-L398 HydrophobicContact CD1-CD1 4.2Å; F394-L398 HydrophobicContact CD1-CG 4.27Å; F394-L398 HydrophobicContact CE1-CD1 4.04Å; F394-L398 HydrophobicContact CE1-CD2 4.03Å; F394-L398 HydrophobicContact CE1-CG 4.2Å; F394-L398 HydrophobicContact CZ-CD2 4.48Å; F394-L398 WeakPolarHBondContact O-CG 3.5Å; F394-L398 PolarHBondContact O-N 3.45Å; D395-L398 PolarHBondContact O-N 3.42Å; L398-M400 VanDerWaalsContact C-N 3.35Å; L398-E402 VanDerWaalsContact O-CG 3.27Å; L398-E402 WeakPolarHBondContact O-CG 3.12Å; L398-E402 PolarHBondContact O-N 3.22Å
399R96.1Very high93.6Very high47 Ų4722.8 Ų22.818%0.17713%0.128CC..Hα-helixtrans-70.9-29.1177.7-170.2176.3-176.4-134.24113G201 D395 D396 A397 V403 L762G201-R399 PolarHBondContact O-NE 3.06Å; G201-R399 VanDerWaalsContact O-NE 3.15Å; G201-R399 PolarHBondContact O-NH2 3.35Å; D395-R399 PolarHBondContact O-N 3.2Å; D395-R399 VanDerWaalsContact O-N 3.16Å; D396-R399 CarbonylContact O-C 3.59Å; D396-R399 PolarHBondContact O-N 3.04Å; A397-R399 VanDerWaalsContact C-N 3.33Å; A397-R399 PolarHBondContact O-N 3.13Å; R399-V403 WeakPolarHBondContact O-CG2 3.27Å; R399-V403 PolarHBondContact O-N 3.17Å; R399-L762 HydrophobicContact CB-CD2 3.93Å; R399-L762 HydrophobicContact CG-CD2 4.11Å
400M96.2Very high92.5Very high2 Ų224.8 Ų24.81%0.0114%0.141CC..Hα-helixtrans-63.7-56.1173.3-153.7-52.192.100109.3F392 D396 A397 L398 E402 V403 T404 F723 L727 L762 L766F392-M400 HydrophobicContact CD2-CB 4.25Å; F392-M400 HydrophobicContact CD2-CG 3.69Å; F392-M400 HydrophobicContact CE2-CG 3.49Å; F392-M400 VanDerWaalsContact CE2-CG 3.49Å; F392-M400 HydrophobicContact CZ-CG 4.19Å; D396-M400 WeakPolarHBondContact O-CB 3.41Å; D396-M400 PolarHBondContact O-N 3.02Å; A397-M400 WeakPolarHBondContact O-CB 3.27Å; A397-M400 PolarHBondContact O-N 2.85Å; L398-M400 VanDerWaalsContact C-N 3.35Å; M400-E402 VanDerWaalsContact C-N 3.34Å; M400-E402 PolarHBondContact O-N 2.87Å; M400-V403 HydrophobicContact CE-CB 4.48Å; M400-V403 PolarHBondContact O-N 3.25Å; M400-V403 VanDerWaalsContact O-N 3.08Å; M400-T404 WeakPolarHBondContact CE-OG1 3.36Å; M400-T404 PolarHBondContact O-N 3.17Å; M400-T404 PolarHBondContact O-OG1 3.07Å; M400-T404 PolarHBondContact SD-OG1 2.86Å; M400-F723 HydrophobicContact CE-CE1 4.47Å; M400-L727 HydrophobicContact CE-CD1 3.5Å; M400-L727 HydrophobicContact CE-CD2 3.43Å; M400-L727 VanDerWaalsContact CE-CD2 3.43Å; M400-L727 HydrophobicContact CE-CG 4.13Å; M400-L727 HydrophobicContact SD-CD1 3.72Å; M400-L727 HydrophobicContact SD-CD2 4.27Å; M400-L762 HydrophobicContact CB-CD1 3.68Å; M400-L762 HydrophobicContact CG-CD1 3.66Å; M400-L766 HydrophobicContact CE-CD2 3.42Å; M400-L766 VanDerWaalsContact CE-CD2 3.42Å; M400-L766 HydrophobicContact CE-CG 4.27Å
401L96.8Very high91.7Very high4 Ų428.9 Ų28.92%0.02117%0.165CC..Hα-helixtrans-56.4-45178.7-70.3171000111.7P314 E387 K389 A397 V403 T404 W405P314-L401 HydrophobicContact CB-CD1 4.22Å; P314-L401 HydrophobicContact CG-CD1 3.96Å; E387-L401 HydrophobicContact CB-CD2 3.83Å; K389-L401 HydrophobicContact CD-CD1 4.29Å; A397-L401 WeakPolarHBondContact O-CB 3.29Å; A397-L401 VanDerWaalsContact O-CG 3.26Å; A397-L401 WeakPolarHBondContact O-CG 3.15Å; A397-L401 PolarHBondContact O-N 2.85Å; L401-V403 VanDerWaalsContact C-N 3.34Å; L401-V403 PolarHBondContact O-N 2.91Å; L401-T404 PolarHBondContact O-N 3.45Å; L401-W405 HydrophobicContact CB-CD2 4.22Å; L401-W405 HydrophobicContact CB-CH2 4.12Å; L401-W405 HydrophobicContact CB-CZ2 3.7Å; L401-W405 HydrophobicContact CD1-CH2 4.36Å; L401-W405 HydrophobicContact CD1-CZ2 3.97Å; L401-W405 HydrophobicContact CD2-CZ2 3.88Å; L401-W405 HydrophobicContact CG-CZ2 4.05Å; L401-W405 WeakPolarHBondContact O-CB 3.27Å; L401-W405 PolarHBondContact O-N 2.98Å
402E96.6Very high90.7Very high0 Ų030.7 Ų30.70%018%0.177CC..Hα-helixtrans-51.2-49.5172.9-77.2163.5-17100113I198 V203 R208 W212 L215 L398 M400 S406I198-E402 HydrophobicContact CG2-CB 4.3Å; V203-E402 HydrophobicContact CB-CG 4.33Å; V203-E402 HydrophobicContact CG2-CB 4.32Å; V203-E402 HydrophobicContact CG2-CG 3.83Å; V203-E402 PolarHBondContact N-OE2 3.11Å; R208-E402 WeakPolarHBondContact CD-OE1 3.49Å; R208-E402 WeakPolarHBondContact CG-OE1 3.36Å; R208-E402 IonicContact CZ-OE1 3.2Å; R208-E402 IonicContact NE-OE1 3.26Å; R208-E402 PolarHBondContact NE-OE1 3.08Å; R208-E402 IonicContact NH2-OE1 3.04Å; W212-E402 HydrophobicContact CZ2-CG 4.11Å; W212-E402 VanDerWaalsContact NE1-CG 3.31Å; W212-E402 PolarHBondContact NE1-OE1 3.26Å; L215-E402 HydrophobicContact CD1-CG 4.46Å; L398-E402 VanDerWaalsContact O-CG 3.27Å; L398-E402 WeakPolarHBondContact O-CG 3.12Å; L398-E402 PolarHBondContact O-N 3.22Å; M400-E402 VanDerWaalsContact C-N 3.34Å; M400-E402 PolarHBondContact O-N 2.87Å; E402-S406 VanDerWaalsContact O-CB 3.26Å; E402-S406 WeakPolarHBondContact O-CB 3.37Å; E402-S406 PolarHBondContact O-N 3.06Å; E402-S406 PolarHBondContact O-OG 2.96Å
403V94.8Very high89.7Confident1 Ų131.7 Ų31.71%0.00618%0.184CC..Hα-helixtrans-67.6-45.9179.8175.50000110.5Y199 R399 M400 L401 W405 S406 S407 F723 L766Y199-V403 HydrophobicContact CD2-CG1 3.64Å; Y199-V403 HydrophobicContact CE2-CG1 4.01Å; Y199-V403 HydrophobicContact CG-CG1 4.42Å; Y199-V403 WeakPolarHBondContact O-CG1 3.19Å; R399-V403 WeakPolarHBondContact O-CG2 3.27Å; R399-V403 PolarHBondContact O-N 3.17Å; M400-V403 HydrophobicContact CE-CB 4.48Å; M400-V403 PolarHBondContact O-N 3.25Å; M400-V403 VanDerWaalsContact O-N 3.08Å; L401-V403 VanDerWaalsContact C-N 3.34Å; L401-V403 PolarHBondContact O-N 2.91Å; V403-W405 PolarHBondContact O-N 2.93Å; V403-S406 WeakPolarHBondContact CA-OG 3.48Å; V403-S406 PolarHBondContact O-N 2.95Å; V403-S406 PolarHBondContact O-OG 3.36Å; V403-S407 PolarHBondContact O-N 2.88Å; V403-F723 HydrophobicContact CG1-CE1 3.94Å; V403-F723 HydrophobicContact CG1-CZ 4.16Å; V403-L766 HydrophobicContact CB-CD2 4.06Å; V403-L766 HydrophobicContact CG1-CD2 3.7Å; V403-L766 HydrophobicContact CG2-CD1 4.23Å; V403-L766 HydrophobicContact CG2-CD2 4.35Å
404T93.8Very high88.8Confident0 Ų039.1 Ų39.10%021%0.211CC..Hα-helixtrans-56.3-52.3176.5-66.20000111.6M400 L401 S406 S407 M724 L727M400-T404 WeakPolarHBondContact CE-OG1 3.36Å; M400-T404 PolarHBondContact O-N 3.17Å; M400-T404 PolarHBondContact O-OG1 3.07Å; M400-T404 PolarHBondContact SD-OG1 2.86Å; L401-T404 PolarHBondContact O-N 3.45Å; T404-S406 VanDerWaalsContact C-N 3.27Å; T404-S406 PolarHBondContact O-N 3.39Å; T404-S407 WeakPolarHBondContact O-CB 3.35Å; T404-S407 PolarHBondContact O-N 3.16Å; T404-S407 PolarHBondContact O-OG 3.04Å; T404-M724 HydrophobicContact CG2-CG 3.76Å; T404-M724 HydrophobicContact CG2-SD 3.62Å; T404-L727 VanDerWaalsContact OG1-CD1 3.32Å; T404-L727 WeakPolarHBondContact OG1-CD1 3.47Å
405W94.4Very high88.1Confident4 Ų443.4 Ų43.42%0.01524%0.239CC..Hα-helixtrans-65.4-31.8-177.5-56.8-7.4000112.4R195 W212 L215 L216 I315 I332 R335 E387 L401 V403 S407R195-W405 PolarHBondContact NH1-O 3.45Å; W212-W405 HydrophobicContact CD2-CH2 4.5Å; W212-W405 AromaticContact CD2-CZ3 3.75Å; W212-W405 HydrophobicContact CD2-CZ3 3.75Å; W212-W405 AromaticContact CE3-CH2 3.92Å; W212-W405 HydrophobicContact CE3-CH2 3.92Å; W212-W405 AromaticContact CE3-CZ3 3.56Å; W212-W405 HydrophobicContact CE3-CZ3 3.56Å; W212-W405 HydrophobicContact CG-CZ3 4.32Å; W212-W405 AromaticContact CH2-CH2 3.94Å; W212-W405 HydrophobicContact CH2-CH2 3.94Å; W212-W405 HydrophobicContact CH2-CZ3 4.01Å; W212-W405 HydrophobicContact CZ2-CZ3 4.23Å; W212-W405 AromaticContact CZ3-CH2 3.61Å; W212-W405 HydrophobicContact CZ3-CH2 3.61Å; W212-W405 AromaticContact CZ3-CZ3 3.7Å; W212-W405 HydrophobicContact CZ3-CZ3 3.7Å; L215-W405 HydrophobicContact CB-CB 4.08Å; L215-W405 HydrophobicContact CB-CE3 4.23Å; L215-W405 HydrophobicContact CD1-CE3 4.49Å; L216-W405 HydrophobicContact CD1-CH2 4.32Å; L216-W405 HydrophobicContact CD1-CZ3 4Å; L216-W405 HydrophobicContact CD2-CD2 3.83Å; L216-W405 HydrophobicContact CD2-CE3 3.6Å; L216-W405 HydrophobicContact CD2-CH2 3.98Å; L216-W405 HydrophobicContact CD2-CZ2 4.18Å; L216-W405 HydrophobicContact CD2-CZ3 3.69Å; L216-W405 HydrophobicContact CG-CE3 4.06Å; L216-W405 HydrophobicContact CG-CZ3 3.96Å; I315-W405 HydrophobicContact CG1-CH2 4.28Å; I332-W405 HydrophobicContact CD1-CZ2 4.04Å; R335-W405 VanDerWaalsContact NH1-CG 3.27Å; E387-W405 PolarHBondContact OE2-NE1 3.23Å; L401-W405 HydrophobicContact CB-CD2 4.22Å; L401-W405 HydrophobicContact CB-CH2 4.12Å; L401-W405 HydrophobicContact CB-CZ2 3.7Å; L401-W405 HydrophobicContact CD1-CH2 4.36Å; L401-W405 HydrophobicContact CD1-CZ2 3.97Å; L401-W405 HydrophobicContact CD2-CZ2 3.88Å; L401-W405 HydrophobicContact CG-CZ2 4.05Å; L401-W405 WeakPolarHBondContact O-CB 3.27Å; L401-W405 PolarHBondContact O-N 2.98Å; V403-W405 PolarHBondContact O-N 2.93Å; W405-S407 VanDerWaalsContact C-N 3.34Å
406S93.1Very high87.7Confident6 Ų641.2 Ų41.24%0.04223%0.226CC..Hα-helixtrans-78.5-13.217571.80000114.7R195 Y199 E402 V403 T404 L408R195-S406 WeakPolarHBondContact O-CB 3.47Å; Y199-S406 WeakPolarHBondContact CA-OG 3.22Å; Y199-S406 WeakPolarHBondContact CB-OG 3.43Å; Y199-S406 PolarHBondContact N-OG 2.89Å; Y199-S406 VanDerWaalsContact N-OG 3.08Å; E402-S406 VanDerWaalsContact O-CB 3.26Å; E402-S406 WeakPolarHBondContact O-CB 3.37Å; E402-S406 PolarHBondContact O-N 3.06Å; E402-S406 PolarHBondContact O-OG 2.96Å; V403-S406 WeakPolarHBondContact CA-OG 3.48Å; V403-S406 PolarHBondContact O-N 2.95Å; V403-S406 PolarHBondContact O-OG 3.36Å; T404-S406 VanDerWaalsContact C-N 3.27Å; T404-S406 PolarHBondContact O-N 3.39Å; S406-L408 VanDerWaalsContact C-N 3.28Å
407S88.8Confident87.1Confident30 Ų3038.4 Ų38.421%0.2121%0.211CC..Hα-helixtrans-75.3-19.3173.974.80000112.8V403 T404 W405 F723V403-S407 PolarHBondContact O-N 2.88Å; T404-S407 WeakPolarHBondContact O-CB 3.35Å; T404-S407 PolarHBondContact O-N 3.16Å; T404-S407 PolarHBondContact O-OG 3.04Å; W405-S407 VanDerWaalsContact C-N 3.34Å; S407-F723 WeakPolarHBondContact OG-CB 3.31Å; S407-F723 WeakPolarHBondContact OG-CD1 3.19Å
408L80.9Confident86.7Confident25 Ų2544 Ų4413%0.13124%0.237CC..SBendtrans-81.7147175.8-56.8178000111.2R195 S406 G720 N721R195-L408 VanDerWaalsContact CD-O 3.3Å; R195-L408 WeakPolarHBondContact CD-O 3.24Å; R195-L408 PolarHBondContact NH1-O 3.27Å; S406-L408 VanDerWaalsContact C-N 3.28Å; L408-G720 VanDerWaalsContact CD2-O 3.29Å; L408-G720 WeakPolarHBondContact CD2-O 3.42Å; L408-N721 HydrophobicContact CD2-CB 3.85Å
409P75.1Confident86.4Confident82 Ų8243.7 Ų43.753%0.53224%0.235SC..PPolyproline II helixtrans-58.5150.917226.9-35.1000111.1R195 D411R195-P409 PolarHBondContact NH1-O 3.02Å; P409-D411 PolarHBondContact O-N 3.15Å
410P71.4Confident86.1Confident46 Ų4644 Ų4430%0.29924%0.243SC..PPolyproline II helixtrans-56.2132.9165.3-18.330.8000110P191 E192P191-P410 HydrophobicContact CB-CB 4.35Å; P191-P410 HydrophobicContact CB-CG 4.12Å; E192-P410 HydrophobicContact CG-CG 4.29Å
411D78Confident85.3Confident119 Ų11944.5 Ų44.564%0.63625%0.248SC*.  trans-142.363.1179.7-179.243000109.4N217 P409N217-D411 VanDerWaalsContact CB-O 3.28Å; N217-D411 WeakPolarHBondContact CB-O 3.45Å; N217-D411 WeakPolarHBondContact ND2-CB 3.33Å; N217-D411 PolarHBondContact ND2-O 2.76Å; P409-D411 PolarHBondContact O-N 3.15Å
412P75.7Confident84.5Confident37 Ų3748.9 Ų48.924%0.2428%0.276CS..  trans-71.1144.1-176.130.4-33.4000111D221 E414D221-P412 HydrophobicContact CB-CB 4.39Å; D221-P412 HydrophobicContact CB-CG 4.04Å; D221-P412 WeakPolarHBondContact OD2-CG 3.33Å; P412-E414 PolarHBondContact O-N 3.21Å
413P76.4Confident83.2Confident23 Ų2355.9 Ų55.915%0.14931%0.313CS..  trans-65.5133.4-177.725.9-34.8000111.6N217 P220 T415 E416 V417N217-P413 WeakPolarHBondContact O-CD 3.37Å; P220-P413 WeakPolarHBondContact CA-O 3.28Å; P220-P413 HydrophobicContact CG-CG 4.21Å; P413-T415 PolarHBondContact O-N 3.33Å; P413-T415 VanDerWaalsContact O-N 3.12Å; P413-E416 WeakPolarHBondContact CB-O 3.43Å; P413-V417 HydrophobicContact CG-CG2 4.11Å
414E76.9Confident81.6Confident200 Ų20059 Ų5994%0.93533%0.329SS*.SBendtrans-57.6-28.5-177.6-60.7-172.1159.600114P412P412-E414 PolarHBondContact O-N 3.21Å
415T79.8Confident79.3Confident116 Ų11668.8 Ų68.871%0.71238%0.375SS*.SBendtrans-132.7-57.4178.9-61.10000111.9P220 P413P220-T415 WeakPolarHBondContact CG-O 3.39Å; P413-T415 PolarHBondContact O-N 3.33Å; P413-T415 VanDerWaalsContact O-N 3.12Å
416E86.1Confident77.1Confident54 Ų5472.2 Ų72.225%0.25241%0.411SS..  trans-163.6170.2171.956.7-178.8-150.800113.4Y231 K234 K235 P413 E418Y231-E416 HydrophobicContact CE2-CB 3.73Å; K234-E416 IonicContact NZ-OE1 3.25Å; K234-E416 PolarHBondContact NZ-OE1 3.2Å; K234-E416 IonicContact NZ-OE2 2.83Å; K234-E416 PolarHBondContact NZ-OE2 2.87Å; K235-E416 VanDerWaalsContact CE-OE1 3.26Å; K235-E416 WeakPolarHBondContact CE-OE1 3.39Å; K235-E416 VanDerWaalsContact CE-OE2 3.3Å; K235-E416 WeakPolarHBondContact CE-OE2 3.29Å; K235-E416 IonicContact NZ-OE1 3.69Å; K235-E416 PolarHBondContact NZ-OE1 3.05Å; K235-E416 IonicContact NZ-OE2 2.64Å; P413-E416 WeakPolarHBondContact CB-O 3.43Å; E416-E418 PolarHBondContact O-N 3.28Å
417V84.8Confident74.5Confident3 Ų378.8 Ų78.82%0.01845%0.446CS..  trans-72121.1169.3-177.90000109.1V218 Y231 K235 C330 P413 L419V218-V417 WeakPolarHBondContact O-CG2 3.3Å; Y231-V417 PolarHBondContact OH-N 2.75Å; K235-V417 WeakPolarHBondContact CE-O 3.49Å; K235-V417 PolarHBondContact NZ-O 2.91Å; C330-V417 HydrophobicContact CB-CG1 3.72Å; P413-V417 HydrophobicContact CG-CG2 4.11Å; V417-L419 HydrophobicContact CG1-CD2 4.13Å
418E88.4Confident71.8Confident117 Ų11785.6 Ų85.655%0.54748%0.475SS..  trans-69.3130.1169.3-68152.4152.700109.5K334 E416K334-E418 VanDerWaalsContact CE-OE2 3.24Å; K334-E418 WeakPolarHBondContact CE-OE2 3.42Å; K334-E418 IonicContact NZ-OE2 3.53Å; K334-E418 PolarHBondContact NZ-OE2 2.85Å; E416-E418 PolarHBondContact O-N 3.28Å
419L90.7Very high69.5Low2 Ų292.7 Ų92.71%0.0151%0.509CS..SBendtrans-101.32.1178.7-64-162.8000112.9K235 E238 L242 T298 H299 F326 I327 C330 V417K235-L419 HydrophobicContact CB-CD1 4.36Å; K235-L419 HydrophobicContact CD-CD1 3.75Å; K235-L419 HydrophobicContact CD-CD2 4.29Å; K235-L419 HydrophobicContact CD-CG 3.84Å; E238-L419 HydrophobicContact CB-CD1 4.01Å; E238-L419 HydrophobicContact CG-CD1 4Å; E238-L419 WeakPolarHBondContact OE1-CD1 3.25Å; E238-L419 WeakPolarHBondContact OE1-CG 3.45Å; L242-L419 HydrophobicContact CD1-CB 3.69Å; T298-L419 PolarHBondContact OG1-O 3.02Å; T298-L419 VanDerWaalsContact OG1-O 3.09Å; H299-L419 PolarHBondContact CE1-O 3.27Å; F326-L419 HydrophobicContact CD1-CD1 4.47Å; F326-L419 HydrophobicContact CD1-CD2 4.22Å; F326-L419 HydrophobicContact CE1-CB 3.92Å; F326-L419 HydrophobicContact CE1-CD1 4.18Å; F326-L419 HydrophobicContact CE1-CD2 3.91Å; F326-L419 HydrophobicContact CE1-CG 4.2Å; I327-L419 HydrophobicContact CG1-CD1 4.39Å; I327-L419 HydrophobicContact CG1-CD2 4.21Å; C330-L419 HydrophobicContact CB-CD2 4.14Å; V417-L419 HydrophobicContact CG1-CD2 4.13Å
420V88.9Confident67.3Low54 Ų5493.8 Ų93.833%0.32752%0.515SS..SBendtrans-138.4132.2-178-172.50000106.8L242 T298L242-V420 HydrophobicContact CD1-CG2 3.94Å; L242-V420 HydrophobicContact CD2-CG2 3.63Å; L242-V420 HydrophobicContact CG-CG2 4.45Å; T298-V420 CarbonylContact O-C 3.58Å; T298-V420 WeakPolarHBondContact O-CA 3.3Å; T298-V420 WeakPolarHBondContact O-CG1 3.35Å
421G80.8Confident65.5Low12 Ų1297.2 Ų97.212%0.12454%0.539CS..PPolyproline II helixtrans-77.6171.1176.100000112.7T298 H299 L423T298-G421 PolarHBondContact O-N 3.18Å; H299-G421 PolarHBondContact CD2-N 3.08Å; G421-L423 PolarHBondContact O-N 3.47Å
422P78.4Confident63.1Low95 Ų9597 Ų9762%0.61755%0.546SS*.PPolyproline II helixtrans-55.1137.9170.2-24.535.1000111.6
423L69.9Low61.2Low148 Ų148103.8 Ų103.878%0.77557%0.572SS**PPolyproline II helixtrans-62.4151.7167.4-72.1168.8000109.7G421 E425G421-L423 PolarHBondContact O-N 3.47Å; L423-E425 PolarHBondContact O-N 2.99Å
424L61.6Low59.1Low66 Ų66110.1 Ų110.135%0.34660%0.604SS.*PPolyproline II helixtrans-68.5124.3176-60.7175.4000109.4P300 Q301 G426P300-L424 HydrophobicContact CB-CD1 4.42Å; P300-L424 HydrophobicContact CB-CG 4.42Å; P300-L424 HydrophobicContact CG-CG 4.39Å; Q301-L424 HydrophobicContact CB-CD2 4.05Å; L424-G426 PolarHBondContact O-N 3.38Å
425E45.9Very low57Low206 Ų206109.8 Ų109.896%0.96360%0.603SS**THydrogen-bonded Turntrans-58.8108.7171.4-67.7-175.7162.800109.3L423L423-E425 PolarHBondContact O-N 2.99Å
426G47Very low55.2Low75 Ų75108.7 Ų108.777%0.77361%0.606SS**THydrogen-bonded Turntrans152.4-23.1-172.300000114.4L424L424-G426 PolarHBondContact O-N 3.38Å
427D38Very low53.1Low144 Ų144112.3 Ų112.377%0.7763%0.631SS**  trans-103.530-176.6-148.334.2000113.8M429D427-M429 PolarHBondContact O-N 3.15Å
428E33.4Very low50.8Low173 Ų173118.3 Ų118.381%0.80866%0.663SS**  trans-71.197162.5-80-129.2139.500109T430E428-T430 PolarHBondContact O-N 2.92Å
429M32.8Very low48.4Very low175 Ų175117.2 Ų117.286%0.86267%0.667SS**  trans-63.375.8173.2-178.357.6177.100111.2D427 S431D427-M429 PolarHBondContact O-N 3.15Å; M429-S431 PolarHBondContact O-N 3.3Å; M429-S431 VanDerWaalsContact O-N 3.09Å
430T28.8Very low45.9Very low105 Ų105124.4 Ų124.464%0.64471%0.705SS**  trans-66.1107.9174.845.70000109.4E428 C432E428-T430 PolarHBondContact O-N 2.92Å; T430-C432 PolarHBondContact O-N 3.23Å
431S34.1Very low43.5Very low117 Ų117129.4 Ų129.482%0.81872%0.722SS**  trans-71.767.3-178.4171.80000112.6M429M429-S431 PolarHBondContact O-N 3.3Å; M429-S431 VanDerWaalsContact O-N 3.09Å
432C26.6Very low41.8Very low116 Ų116133.4 Ų133.478%0.78474%0.741SS**  trans-103133.3164.9-73.40000109.5T430T430-C432 PolarHBondContact O-N 3.23Å
433K35.5Very low39.8Very low179 Ų179133.5 Ų133.578%0.77873%0.733SS**  trans-85.1157.1170.2-66.3179.6177.5179.30109.5
434D32.8Very low38.4Very low155 Ų155133.1 Ų133.183%0.82973%0.728SS**  trans67.9124.9171.1-41-43.7000112.5
435E32Very low37.5Very low193 Ų193133.8 Ų133.890%0.90273%0.734SS**  cis-136156.825.4-58-176.3135.700113.1
436A42.3Very low37.3Very low93 Ų93129.6 Ų129.677%0.76972%0.715SS**  trans-113.475.6-173.800000114.5
437V41.9Very low37.3Very low131 Ų131130.4 Ų130.479%0.79470%0.697SS**SBendtrans-147.491.3156.8-172.40000111.2
438N37.8Very low37.6Very low128 Ų128127 Ų12768%0.68468%0.676SS**  trans174.5-11.6147.6-96.3-30.8000115.2L440 K441N438-L440 PolarHBondContact O-N 3.24Å; N438-K441 PolarHBondContact O-N 3.18Å
439C38.1Very low38.3Very low94 Ų94125.2 Ų125.264%0.63567%0.666SS**THydrogen-bonded Turntrans-57.41.6-163.2-48.10000119.1
440L37.4Very low38.8Very low154 Ų154119.5 Ų119.581%0.80664%0.637SS**Hα-helixtrans-86.5-21179.6-69.2175.5000114.2N438N438-L440 PolarHBondContact O-N 3.24Å
441K37.3Very low39.7Very low158 Ų158119.8 Ų119.869%0.68763%0.626SS**Hα-helixtrans-89.8-36.8-178.6-71.4-173.3175.1-177.60113.4N438 E444 V445N438-K441 PolarHBondContact O-N 3.18Å; K441-E444 PolarHBondContact O-N 3.41Å; K441-V445 WeakPolarHBondContact O-CG2 2.8Å; K441-V445 PolarHBondContact O-N 2.9Å
442D45.3Very low40.2Very low96 Ų96121.5 Ų121.551%0.51362%0.615SS.*Hα-helixtrans-71-38.9-178.5-56.5-61.8000111.4E444 V445 Q446D442-E444 PolarHBondContact O-N 3Å; D442-V445 CarbonylContact O-C 3.59Å; D442-V445 PolarHBondContact O-N 3.4Å; D442-Q446 WeakPolarHBondContact O-CB 3.33Å; D442-Q446 WeakPolarHBondContact O-CG 3.35Å; D442-Q446 PolarHBondContact O-N 2.89Å; D442-Q446 PolarHBondContact O-OE1 3.32Å
443E38.2Very low41.2Very low97 Ų97120.4 Ų120.445%0.45359%0.594SS.*Hα-helixtrans-51.1-49.7168.2-93.3-84.4104.100112.9Q446 K447E443-Q446 PolarHBondContact O-N 3.42Å; E443-K447 WeakPolarHBondContact O-CB 3.28Å; E443-K447 WeakPolarHBondContact O-CD 3.36Å; E443-K447 VanDerWaalsContact O-CG 3.29Å; E443-K447 WeakPolarHBondContact O-CG 3.5Å; E443-K447 PolarHBondContact O-N 3.36Å; E443-K447 WeakPolarHBondContact OE2-CE 3.33Å; E443-K447 IonicContact OE2-NZ 3.8Å; E443-K447 PolarHBondContact OE2-NZ 3.44Å
444E38.6Very low41.5Very low141 Ų141113.5 Ų113.566%0.65957%0.565SS**Hα-helixtrans-68.6-38.6-179.4-168.4171-142.600111.5K441 D442 K447 E448K441-E444 PolarHBondContact O-N 3.41Å; D442-E444 PolarHBondContact O-N 3Å; E444-K447 PolarHBondContact O-N 2.97Å; E444-E448 VanDerWaalsContact O-CB 3.3Å; E444-E448 WeakPolarHBondContact O-CB 3.49Å; E444-E448 PolarHBondContact O-N 2.81Å
445V42.7Very low41.6Very low79 Ų79111.1 Ų111.148%0.47955%0.549SS..Hα-helixtrans-70.6-33.1175.5171.30000112.5K441 D442 K449K441-V445 WeakPolarHBondContact O-CG2 2.8Å; K441-V445 PolarHBondContact O-N 2.9Å; D442-V445 CarbonylContact O-C 3.59Å; D442-V445 PolarHBondContact O-N 3.4Å; V445-K449 WeakPolarHBondContact O-CB 3.43Å; V445-K449 WeakPolarHBondContact O-CG 3.4Å; V445-K449 PolarHBondContact O-N 2.95Å
446Q42.6Very low41.8Very low119 Ų119106.8 Ų106.856%0.55653%0.532SS*.Hα-helixtrans-72.5-40.8173.9-78.6168.5-102.300111.3D442 E443 K449 Q450D442-Q446 WeakPolarHBondContact O-CB 3.33Å; D442-Q446 WeakPolarHBondContact O-CG 3.35Å; D442-Q446 PolarHBondContact O-N 2.89Å; D442-Q446 PolarHBondContact O-OE1 3.32Å; E443-Q446 PolarHBondContact O-N 3.42Å; Q446-K449 CarbonylContact O-C 3.6Å; Q446-K449 PolarHBondContact O-N 2.73Å; Q446-Q450 WeakPolarHBondContact O-CB 3.39Å; Q446-Q450 PolarHBondContact O-N 3.09Å
447K46.7Very low41.2Very low91 Ų91110.8 Ų110.840%0.39653%0.527SS..Hα-helixtrans-64.2-39.5172.2-74.6164.8179.9169.30112.1E443 E444 Q450 R451E443-K447 WeakPolarHBondContact O-CB 3.28Å; E443-K447 WeakPolarHBondContact O-CD 3.36Å; E443-K447 VanDerWaalsContact O-CG 3.29Å; E443-K447 WeakPolarHBondContact O-CG 3.5Å; E443-K447 PolarHBondContact O-N 3.36Å; E443-K447 WeakPolarHBondContact OE2-CE 3.33Å; E443-K447 IonicContact OE2-NZ 3.8Å; E443-K447 PolarHBondContact OE2-NZ 3.44Å; E444-K447 PolarHBondContact O-N 2.97Å; K447-Q450 WeakPolarHBondContact O-CB 3.48Å; K447-Q450 PolarHBondContact O-N 2.87Å; K447-R451 WeakPolarHBondContact O-CB 3.15Å; K447-R451 WeakPolarHBondContact O-CG 3.21Å; K447-R451 PolarHBondContact O-N 2.77Å
448E44.3Very low40.5Very low74 Ų74108 Ų10835%0.34651%0.512SS..Hα-helixtrans-67-40.4172.317864.7174.900111.8E444 Q450 R451 R452E444-E448 VanDerWaalsContact O-CB 3.3Å; E444-E448 WeakPolarHBondContact O-CB 3.49Å; E444-E448 PolarHBondContact O-N 2.81Å; E448-Q450 PolarHBondContact O-N 2.78Å; E448-R451 PolarHBondContact O-N 2.99Å; E448-R452 VanDerWaalsContact O-CB 3.29Å; E448-R452 WeakPolarHBondContact O-CB 3.38Å; E448-R452 VanDerWaalsContact O-CG 3.25Å; E448-R452 WeakPolarHBondContact O-CG 2.96Å; E448-R452 PolarHBondContact O-N 3.05Å; E448-R452 IonicContact OE1-CZ 3.67Å; E448-R452 IonicContact OE1-NE 2.67Å; E448-R452 PolarHBondContact OE1-NE 3.17Å; E448-R452 IonicContact OE1-NH2 3.41Å; E448-R452 PolarHBondContact OE1-NH2 3.15Å
449K47.9Very low40Very low135 Ų135106.3 Ų106.359%0.58751%0.51SS*.Hα-helixtrans-64.2-25.7170.3-82.4179.2175.1178.70113.4V445 Q446 R453V445-K449 WeakPolarHBondContact O-CB 3.43Å; V445-K449 WeakPolarHBondContact O-CG 3.4Å; V445-K449 PolarHBondContact O-N 2.95Å; Q446-K449 CarbonylContact O-C 3.6Å; Q446-K449 PolarHBondContact O-N 2.73Å; K449-R453 WeakPolarHBondContact O-CG 3.33Å; K449-R453 PolarHBondContact O-N 3.3Å; K449-R453 PolarHBondContact O-NE 2.99Å
450Q44.4Very low39.4Very low54 Ų54112.1 Ų112.125%0.25252%0.519SS..Hα-helixtrans-75.7-54.8173-166146.4-67.800110D254 Q446 K447 E448 R452 R453 H454D254-Q450 PolarHBondContact OD1-NE2 3.24Å; D254-Q450 PolarHBondContact OD2-NE2 3.36Å; Q446-Q450 WeakPolarHBondContact O-CB 3.39Å; Q446-Q450 PolarHBondContact O-N 3.09Å; K447-Q450 WeakPolarHBondContact O-CB 3.48Å; K447-Q450 PolarHBondContact O-N 2.87Å; E448-Q450 PolarHBondContact O-N 2.78Å; Q450-R452 VanDerWaalsContact C-N 3.27Å; Q450-R452 PolarHBondContact O-N 3.35Å; Q450-R453 WeakPolarHBondContact O-CB 3.46Å; Q450-R453 PolarHBondContact O-N 2.88Å; Q450-H454 PolarHBondContact O-CD2 3.39Å; Q450-H454 PolarHBondContact O-N 2.99Å
451R46.7Very low39Very low111 Ų111113.5 Ų113.542%0.41952%0.521SS..Hα-helixtrans-54.7-39175.8-70.3176.6179.5-156.80.4112.9E253 K447 E448 H454 M455E253-R451 IonicContact OE2-NH2 2.73Å; E253-R451 PolarHBondContact OE2-NH2 3.5Å; K447-R451 WeakPolarHBondContact O-CB 3.15Å; K447-R451 WeakPolarHBondContact O-CG 3.21Å; K447-R451 PolarHBondContact O-N 2.77Å; E448-R451 PolarHBondContact O-N 2.99Å; R451-H454 PolarHBondContact O-N 2.73Å; R451-M455 WeakPolarHBondContact O-CG 3.47Å
452R45.8Very low38.5Very low154 Ų154113.6 Ų113.658%0.58152%0.524SS*.Hα-helixtrans-67.3-33.1173.2-73.8179.8-172-1614.9114.3E448 Q450 H454 M455E448-R452 VanDerWaalsContact O-CB 3.29Å; E448-R452 WeakPolarHBondContact O-CB 3.38Å; E448-R452 VanDerWaalsContact O-CG 3.25Å; E448-R452 WeakPolarHBondContact O-CG 2.96Å; E448-R452 PolarHBondContact O-N 3.05Å; E448-R452 IonicContact OE1-CZ 3.67Å; E448-R452 IonicContact OE1-NE 2.67Å; E448-R452 PolarHBondContact OE1-NE 3.17Å; E448-R452 IonicContact OE1-NH2 3.41Å; E448-R452 PolarHBondContact OE1-NH2 3.15Å; Q450-R452 VanDerWaalsContact C-N 3.27Å; Q450-R452 PolarHBondContact O-N 3.35Å; R452-H454 PolarHBondContact O-N 3.34Å; R452-M455 PolarHBondContact O-N 3.47Å
453R47.3Very low37.5Very low93 Ų93115.3 Ų115.335%0.35154%0.538SS..Hα-helixtrans-66.4-25.9174.1-81176.8-73.8159.60.3112.5K449 Q450K449-R453 WeakPolarHBondContact O-CG 3.33Å; K449-R453 PolarHBondContact O-N 3.3Å; K449-R453 PolarHBondContact O-NE 2.99Å; Q450-R453 WeakPolarHBondContact O-CB 3.46Å; Q450-R453 PolarHBondContact O-N 2.88Å
454H40.9Very low36.9Very low34 Ų34118.3 Ų118.316%0.15756%0.557CS.*THydrogen-bonded Turntrans-90.57.3176-52.4-66.6000114.2F257 S303 Q450 R451 R452F257-H454 HydrophobicContact CE1-CB 3.47Å; F257-H454 VanDerWaalsContact CE1-CB 3.47Å; F257-H454 AromaticContact CE1-CD2 3.61Å; F257-H454 AromaticContact CE1-CG 3.68Å; F257-H454 HydrophobicContact CZ-CB 3.93Å; S303-H454 PolarHBondContact OG-CE1 2.77Å; Q450-H454 PolarHBondContact O-CD2 3.39Å; Q450-H454 PolarHBondContact O-N 2.99Å; R451-H454 PolarHBondContact O-N 2.73Å; R452-H454 PolarHBondContact O-N 3.34Å
455M35.2Very low36.3Very low104 Ų104119.7 Ų119.751%0.51257%0.566SS.*  trans-132.1106.3-172.4-77-75.7-72.100111.8R451 R452 R457R451-M455 WeakPolarHBondContact O-CG 3.47Å; R452-M455 PolarHBondContact O-N 3.47Å; M455-R457 HydrophobicContact CE-CB 4.2Å; M455-R457 PolarHBondContact O-N 2.78Å
456L36.3Very low35.5Very low102 Ų102126.2 Ų126.253%0.53458%0.582SS.*  trans-76.163.7161.7-70177.4000110.3
457R30.4Very low34.7Very low177 Ų177132 Ų13267%0.66860%0.599SS**  trans-158.7122.3171.3-152172.2-162.2144.810.8112.9M455M455-R457 HydrophobicContact CE-CB 4.2Å; M455-R457 PolarHBondContact O-N 2.78Å
458P27.7Very low33.6Very low73 Ų73133.2 Ų133.247%0.47461%0.609SS.*PPolyproline II helixtrans-71.3145.2170.6-18.332000112.7D117D117-P458 HydrophobicContact CB-CG 4.38Å
459S25.7Very low33.1Very low92 Ų92135.2 Ų135.264%0.64363%0.628SS**PPolyproline II helixtrans-75.9140.4166.1-600000110.6E461S459-E461 PolarHBondContact O-N 3.32Å
460R26.8Very low32Very low217 Ų217136.8 Ų136.882%0.81964%0.641SS**PPolyproline II helixtrans-63.5121.2172.6168175.4164.3166.2-7.4110.2E462R460-E462 PolarHBondContact O-N 3.02Å
461E27.8Very low31.1Very low183 Ų183140.2 Ų140.286%0.85567%0.667SS**PPolyproline II helixtrans-67.5127.6173-64.3-178.4125.700110.7S459S459-E461 PolarHBondContact O-N 3.32Å
462E26.6Very low30.1Very low160 Ų160144.2 Ų144.275%0.74869%0.69SS**PPolyproline II helixtrans-103.4129.6160.1-61.3-158.3140.900108.2R460 D464R460-E462 PolarHBondContact O-N 3.02Å; E462-D464 PolarHBondContact O-N 3.38Å; E462-D464 VanDerWaalsContact O-N 3.08Å
463T24.9Very low29.1Very low132 Ų132140.3 Ų140.381%0.8170%0.697SS**  trans-78.895.7-169.952.10000111.5M465T463-M465 PolarHBondContact O-N 2.84Å
464D25.9Very low28.1Very low160 Ų160145.9 Ų145.986%0.85672%0.724SS**  trans-73.4112.1-179-164.210.1000112.1E462 R466E462-D464 PolarHBondContact O-N 3.38Å; E462-D464 VanDerWaalsContact O-N 3.08Å; D464-R466 PolarHBondContact O-N 2.86Å
465M25.5Very low27.3Very low170 Ų170148.5 Ų148.584%0.83775%0.751SS**  trans-87.699.7-175.5-91.6-73.6-178.400111.2T463 R467T463-M465 PolarHBondContact O-N 2.84Å; M465-R467 PolarHBondContact O-N 2.83Å
466R26.7Very low26.9Very low215 Ų215150.1 Ų150.181%0.81176%0.762SS**  trans-40.8125.5172.6-87.2-171.3171.4-166.7-1.4113.1D464D464-R466 PolarHBondContact O-N 2.86Å
467R24.6Very low26.4Very low242 Ų242152.4 Ų152.491%0.91377%0.77SS**  trans-116.5112.6150.1-179.1169.2-79.1-174.8-4.5109.2M465M465-R467 PolarHBondContact O-N 2.83Å
468N24.6Very low26.1Very low115 Ų115149.6 Ų149.662%0.61577%0.773SS**  trans-73.2158.9176.1-93.815.1000111.8
469P33.5Very low26Very low116 Ų116153.2 Ų153.275%0.75379%0.793SS**  trans-84.8163.7-169.135-37.8000113.8
470I24.5Very low26.1Very low168 Ų168152.3 Ų152.386%0.86280%0.799SS**  trans-127.4138.5158.7-65.8-177.4000108.7
471T26.4Very low26Very low127 Ų127148.2 Ų148.278%0.77980%0.804SS**  trans-79.3144.8-176.6-28.20000112.2
472E25.8Very low25.8Very low195 Ų195142.5 Ų142.591%0.91179%0.794SS**  -177.3178119.9-100.5175.5-163.100109.4
473G24.6Very low25.9Very low71 Ų71140.4 Ų140.473%0.73279%0.792SS**  trans-179.2-159.5-179.100000114.2
474K24.9Very low25.9Very low210 Ų210142.1 Ų142.191%0.91379%0.79SS**  trans99.9142.4177.6-160.8-179.1-176.2-179.40115.5
475A25.5Very low26Very low89 Ų89141.6 Ų141.674%0.73678%0.784SS**  trans72.887.2162.700000120.2
476D26Very low26Very low138 Ų138141.5 Ų141.574%0.73878%0.782SS**  69.8151103.5-157.728.3000122.4
477Q26.6Very low25.9Very low151 Ų151134.2 Ų134.271%0.70677%0.774SS**  trans70.5109.4161-86.6169.78300123.1
478T24.1Very low26.1Very low118 Ų118128.7 Ų128.772%0.72477%0.767SS**  trans69126133.252.20000123.8
479V26.1Very low26.2Very low148 Ų148131.9 Ų131.990%0.89778%0.778SS**  trans63.4127.2136.3179.20000119.2
480G26.5Very low26.1Very low74 Ų74134.1 Ų134.176%0.76378%0.783SS**  trans168.8106.4159.800000116.6
481S24.4Very low26.2Very low131 Ų131128.6 Ų128.692%0.91677%0.768SS**  trans-67.6153168.3-178.80000113.5
482G25.1Very low26.4Very low63 Ų63131.4 Ų131.465%0.64977%0.772SS**  trans144.6122.5165.900000112.3
483V27.9Very low26.4Very low116 Ų116125.8 Ų125.870%0.70375%0.754SS**  cis93.7106.243.9169.50000112.5
484E25.4Very low26.6Very low167 Ų167130.9 Ų130.978%0.7876%0.759SS**  trans60162.8146.3-65.3166.1-167.200118.3
485M27.1Very low26.7Very low149 Ų149128.4 Ų128.473%0.73475%0.751SS**  cis-153.4-173-12.4-128.4179.2158.700110.6
486E25.3Very low26.7Very low169 Ų169131.3 Ų131.379%0.7975%0.751SS**  trans-14.5158.5160.2-62.4171.2-179.500120.2
487G25.9Very low26.7Very low62 Ų62129 Ų12964%0.63975%0.746SS**  cis157.7-167.34.400000111.7
488V27.5Very low26.6Very low125 Ų125131.2 Ų131.276%0.75875%0.753SS**  trans69.9109.3160.1-1740000116.3
489E28.3Very low26.7Very low182 Ų182135.3 Ų135.385%0.8576%0.761SS**  62.5148.588.4-63.9179.1168.200116.3
490D30.3Very low26.6Very low163 Ų163133.1 Ų133.187%0.87275%0.752SS**  cis-169.6172.3-23.2-173.425.1000110.1
491G27.4Very low26.5Very low53 Ų53136.6 Ų136.655%0.54675%0.753SS.*  trans89.7166.5173.500000116.1
492H28.9Very low26.7Very low185 Ų185137.6 Ų137.686%0.85675%0.747SS**  cis-173.2166.3-1.3-108-64.1000107.8
493S26.7Very low26.6Very low77 Ų77143.6 Ų143.654%0.53876%0.759SS.*  cis-166.7157.9-13.1-139.30000110.5
494E28.4Very low26.4Very low179 Ų179141.5 Ų141.584%0.83676%0.761SS**  trans62.2168.5152.8-67.1170.2132.800119.6
495E26.6Very low26.3Very low157 Ų157141.2 Ų141.273%0.73476%0.759SS**  cis-150.2-172.95.4-142.9-149.1134.800114.7
496M25.8Very low26Very low150 Ų150143.6 Ų143.674%0.73977%0.765SS**  trans-63.9174.8-171.2-77.1-166-7300119.7
497S26Very low26Very low91 Ų91144.4 Ų144.464%0.63677%0.767SS**  cis147140.9-18.7-173.10000110.6
498K25.5Very low25.9Very low196 Ų196149 Ų14985%0.85277%0.771SS**  trans-163.9-171.6175.1-101118.3-136.2162.60115
499K25.8Very low25.8Very low205 Ų205153.9 Ų153.989%0.89178%0.776SS**  trans-140.7176-170.5-60.5178.8177.5172.90110.3
500S24.3Very low25.6Very low102 Ų102152.3 Ų152.371%0.71377%0.769SS**  cis-169.9147.128.856.50000116.1
501N25.1Very low25.7Very low147 Ų147152.2 Ų152.279%0.78677%0.768SS**  trans42.9150.6132.9-71.93.1000123.4
502L27.1Very low25.5Very low151 Ų151155.1 Ų155.179%0.79178%0.78SS**  cis-163.1164.62.5-126.6165.4000112.9
503Q24.2Very low25.1Very low190 Ų190155.3 Ų155.389%0.88878%0.778SS**  trans115.9127.7141.7-164.3166.1-2.500118.3
504G23.9Very low25Very low72 Ų72155.3 Ų155.374%0.74279%0.791SS**  trans122.871.6161.400000117.8
505H22.2Very low24.8Very low161 Ų161152.4 Ų152.475%0.74578%0.777SS**  trans-49.1140.2177.9-85.4-103.8000116.3
506F21.4Very low24.5Very low198 Ų198154.9 Ų154.987%0.86879%0.786SS**  -149.3170.6103.5-118.6-85.9000110.9
507F24.3Very low24.5Very low187 Ų187153.9 Ų153.982%0.8278%0.777SS**  trans-73.1153.7-152.8-100.3-99.1000117.5
508Q24Very low24.4Very low157 Ų157160.7 Ų160.773%0.73479%0.791SS**  trans-112.5147.5-162.5177175.2-14.200114
509R26.6Very low24.3Very low228 Ų228161.2 Ų161.286%0.8679%0.789SS**  trans-86.6117.3169.4169.5-160.7-82.1-174.7-7.7110.9
510Q22.6Very low24.2Very low149 Ų149158.6 Ų158.670%0.69679%0.79SS**  trans-179.1128.9152-100157.1-41.500107.2
511L32.8Very low24.2Very low162 Ų162158 Ų15885%0.84879%0.792SS**  70.4100.663.5-69.6172.6000114.5
512S22.6Very low24.2Very low114 Ų114162.1 Ų162.180%0.79780%0.796SS**  trans-161106.8149.6-169.70000107.1
513F22.3Very low24Very low188 Ų188160.5 Ų160.583%0.82580%0.797SS**  86.3133.481.3-126.4-83.7000113.6E515F513-E515 HydrophobicContact CE1-CB 4.4Å
514G22.7Very low24Very low78 Ų78159.8 Ų159.880%0.80479%0.794SS**  trans171.438.7-171.900000113.6
515E24.2Very low24Very low117 Ų117160.2 Ų160.255%0.54780%0.798SS.*  trans-78.5132.8175.9-176-169.5-161.200110.2F513 K517F513-E515 HydrophobicContact CE1-CB 4.4Å; E515-K517 HydrophobicContact CG-CG 4.45Å; E515-K517 WeakPolarHBondContact OE1-CE 3.48Å; E515-K517 IonicContact OE1-NZ 2.76Å; E515-K517 IonicContact OE2-NZ 3.5Å
516F22.1Very low24Very low209 Ų209157.4 Ų157.492%0.91780%0.797SS**  trans-139.5140.4158.8-104.9-81.6000110.9
517K24.8Very low24.1Very low129 Ų129156.4 Ų156.456%0.56179%0.793SS**  trans-111.2152.3-168.7-58.1170-177.7173.40110.4E515E515-K517 HydrophobicContact CG-CG 4.45Å; E515-K517 WeakPolarHBondContact OE1-CE 3.48Å; E515-K517 IonicContact OE1-NZ 2.76Å; E515-K517 IonicContact OE2-NZ 3.5Å
518Y23.5Very low24.1Very low234 Ų234152.8 Ų152.892%0.91878%0.782SS**  trans-136.9152.5145.1-97.5-74.6000111.1
519Y24.1Very low24.1Very low208 Ų208152.4 Ų152.482%0.81678%0.782SS**  trans-88.4137-166.4-78.5-115.5000112.5
520T24Very low24.1Very low150 Ų150149 Ų14992%0.9278%0.776SS**  trans-84.5101.5152.2-100000108.4
521A24.1Very low24.2Very low90 Ų90148.4 Ų148.474%0.74478%0.777SS**  trans-95.8131.1172.700000110.4
522R25Very low23.7Very low232 Ų232148.5 Ų148.588%0.87577%0.773SS**  trans-67.4153.5169.7-83.1176.5164.5164.7-6.8110.6
523S23.1Very low23.8Very low117 Ų117151.8 Ų151.882%0.81878%0.776SS**  -142.2137.1129-163.20000110.7
524Q24.5Very low24Very low176 Ų176151.3 Ų151.382%0.82278%0.776SS**  trans-96.3138.2159-73.4174.5-76.500106.8
525G23Very low24.9Very low80 Ų80152.3 Ų152.383%0.82577%0.769SS**  trans-15987.3-178.200000111.8
526S23.3Very low25Very low103 Ų103156 Ų15672%0.7279%0.786SS**  trans-98.9138160.2-177.50000107.7
527F22.8Very low25.2Very low177 Ų177149.2 Ų149.278%0.77678%0.775SS**  trans169.8122.2130.3-108.2-97.9000112
528D24.2Very low25.2Very low111 Ų111149.2 Ų149.259%0.59479%0.791SS**  trans43.8135.9136.1-57.23.6000124.9
529M24.7Very low25.3Very low149 Ų149142 Ų14273%0.73478%0.779SS**  trans61.2154.1133.4-67.816868.200119.7
530E25.6Very low25.5Very low157 Ų157137.3 Ų137.373%0.73478%0.778SS**  cis-150.5130.84-121.3163.4171.900106.2
531D24.3Very low25.6Very low136 Ų136135 Ų13573%0.72777%0.767SS**  91.7154.791.8-165.431.5000115.6
532Q23.7Very low25.7Very low163 Ų163139.4 Ų139.476%0.76277%0.773SS**  trans69.9148.5-179.2-60.2172.621.100116.5
533E24.8Very low25.7Very low184 Ų184132.5 Ų132.586%0.8677%0.765SS**  cis-141.2173.613.3-148.3176.5-170.300113.3
534Q25.6Very low25.8Very low178 Ų178134.4 Ų134.483%0.83277%0.766SS**  trans-92.4-173.5-178.1-98.8-169.617.500112.6
535P41.5Very low26.2Very low99 Ų99133.2 Ų133.264%0.64377%0.765SS**  cis-143.1-172.61534.8-9.8000118.4
536Q26.7Very low26.6Very low194 Ų194135 Ų13591%0.90776%0.763SS**  trans80.2132.1164-49-175.317.400118.4
537G25.5Very low26.7Very low66 Ų66141.6 Ų141.668%0.6877%0.771SS**  cis167.2130-13.700000115.9
538S26.3Very low26.8Very low130 Ų130143.6 Ų143.691%0.90977%0.774SS**  trans68.9148.6167.780.80000117.4
539A25.4Very low26.8Very low81 Ų81145.6 Ų145.667%0.66978%0.78SS**  cis-151.3156.31.900000113.1
540S27Very low26.9Very low111 Ų111143.6 Ų143.678%0.77678%0.78SS**  trans35.8138.5147.455.50000122.2
541S27.1Very low27.1Very low100 Ų100142.8 Ų142.870%0.69979%0.786SS**  cis-170.5143.53.144.30000112.9
542E24.9Very low27.4Very low184 Ų184142 Ų14286%0.8679%0.786SS**  trans46.4119.4145.5-59.3-177.3137.200120.1
543A26.1Very low27.5Very low86 Ų86141 Ų14171%0.71179%0.786SS**  77.9145.86100000113.5
544N24Very low27.8Very low158 Ų158136.8 Ų136.885%0.84578%0.777SS**  cis-154.4160.112.4-136.4-18.1000112.6
545N33.1Very low28.1Very low150 Ų150137 Ų13780%0.80278%0.778SS**  trans-88153.3166.8-97.1-51.1000110.6
546P32.7Very low27.6Very low119 Ų119140.3 Ų140.377%0.77379%0.79SS**  -157.2128.1111.435.7-15.1000118.6
547R25.2Very low27.8Very low240 Ų240138.1 Ų138.191%0.90679%0.785SS**  18.7107.4125-173-169.1-162.3-175.57.3119.2
548R25.2Very low28.9Very low220 Ų220140.2 Ų140.283%0.8379%0.786SS**  trans-172.3134.2135.7-113.2-175.8172.3169.74.2117.8
549Q23.8Very low29.1Very low153 Ų153137.4 Ų137.472%0.71578%0.778SS**  trans31.3121.2134.6-65.2174.1-75.800123.4
550S27.7Very low29.4Very low107 Ų107140.2 Ų140.275%0.74878%0.777SS**  42.5120.5120.3-178.50000121.9
551T27.9Very low29.5Very low140 Ų140144.2 Ų144.286%0.85978%0.775SS**  trans-140.7156.4148.249.30000111
552V30.7Very low29.8Very low118 Ų118145.6 Ų145.672%0.71578%0.78SS**  trans-122.7143.5176.11710000107.9
553D27.3Very low30.5Very low143 Ų143142.7 Ų142.777%0.76578%0.776SS**  trans166.8134.3142.4-89.4-39.5000109.5
554S30.2Very low30.5Very low96 Ų96146.1 Ų146.167%0.67178%0.782SS**  80.3129.962.8-49.80000110.9
555E32.2Very low30.7Very low182 Ų182145.7 Ų145.785%0.8578%0.778SS**  cis-145.2-166.613.2-63.6-173.491.800113.2
556D31.5Very low30.3Very low169 Ų169149.8 Ų149.890%0.90478%0.782SS**  trans98.5144.7157.1-72.4-41000123.5
557D30.5Very low30.1Very low148 Ų148150.8 Ų150.879%0.79178%0.781SS**  trans-132.4-167.9-161.9-167.135.9000108.4
558P48.4Very low30.2Very low109 Ų109145.3 Ų145.371%0.70878%0.78SS**  cis-124.8-178.4-27.51016.3000115.1
559G29.7Very low30.4Very low71 Ų71141.6 Ų141.673%0.73278%0.776SS**  118.8102.6121.400000122.5
560E31.4Very low30.7Very low141 Ų141146 Ų14666%0.65979%0.788SS**  trans63.2122.5135.3-62.6-138.9147.800126
561R30.9Very low30.6Very low194 Ų194144.2 Ų144.273%0.73279%0.786SS**  67.8116.9124.7-65-175.1-179.5140.11.9124.1
562T32.8Very low30.5Very low130 Ų130145.4 Ų145.480%0.79879%0.787SS**  trans57.2130.7134.258.70000122.3
563P40.4Very low30.4Very low122 Ų122145.1 Ų145.179%0.79279%0.79SS**  trans-96.5144.117736.9-33.6000115.2
564L25.2Very low31.2Very low158 Ų158143.5 Ų143.583%0.82779%0.787SS**  trans-147.5127.8164.5-76.6177.8000113.1
565I28.2Very low31.1Very low149 Ų149146 Ų14676%0.76479%0.792SS**  trans42.2119.1137.9-51.8171000119.9
566R25.7Very low30.8Very low236 Ų236143.4 Ų143.489%0.89179%0.788SS**  -175.2158.8113.2-128.7161.7-170.7164.53.5116.8
567N28.4Very low30.5Very low141 Ų141139.7 Ų139.775%0.75478%0.775SS**  trans-91.7172.3169.2-57.10.7000112
568S25.7Very low30.2Very low125 Ų125140.7 Ų140.787%0.87478%0.775SS**  trans-159.1149.5150.2-74.50000111.9
569D30.3Very low29.1Very low141 Ų141140.3 Ų140.375%0.75477%0.771SS**  trans-111168.3-172.4-50.4-88.4000113.4
570Y29.9Very low28.8Very low247 Ų247144.3 Ų144.397%0.96977%0.77SS**  trans-172.4141.4144.7-82.2-60.4000109.5
571G24.7Very low28.6Very low68 Ų68145.8 Ų145.870%0.70178%0.775SS**  cis174174.1-10.200000114.2
572L27.7Very low28.5Very low166 Ų166142.4 Ų142.487%0.86978%0.775SS**  trans75.1103.8159.4-61168.8000122.9
573S26.8Very low28.2Very low111 Ų111140 Ų14078%0.77678%0.777SS**  39.8156.2115-55.10000122.9
574P45.9Very low27.5Very low109 Ų109137.6 Ų137.671%0.70877%0.774SS**  cis-150.9166.526.743.4-22.3000121.8
575I26.4Very low27.7Very low150 Ų150138.1 Ų138.177%0.76978%0.777SS**  trans82.9137.2139.4-79.8164.5000123.8
576T25.8Very low28.7Very low127 Ų127136 Ų13678%0.77977%0.773SS**  trans65.3162.3167.149.40000120.5
577S25.7Very low28.9Very low91 Ų91130.3 Ų130.364%0.63676%0.764SS**  -173.5151.8-66.850.90000112.1
578H25Very low28.8Very low168 Ų168134.1 Ų134.178%0.77877%0.768SS**  trans70.298.2164-71.7-68.3000121.8
579T23.7Very low29.1Very low102 Ų102136.2 Ų136.263%0.62676%0.761SS**  33.3125.211652.90000123.3
580H25Very low29.1Very low155 Ų155136.3 Ų136.372%0.71877%0.767SS**  94.7124.1125.8-72.4-29.3000124.1
581F26.6Very low28.9Very low172 Ų172128.3 Ų128.375%0.75476%0.76SS**  trans66.1149.6140.5-79.4-116.3000120
582T28.3Very low29.2Very low122 Ų122130.4 Ų130.475%0.74876%0.764SS**  cis-171.8160.7-23.423.30000110.1
583G26.7Very low29.4Very low80 Ų80127.2 Ų127.283%0.82576%0.756SS**  trans156127.5146.900000115.5
584G25.8Very low29.5Very low71 Ų71128.1 Ų128.173%0.73276%0.756SS**  cis167.3175.9-1100000114.5
585L30.5Very low28.5Very low169 Ų169128 Ų12889%0.88576%0.758SS**  trans75.6155.5161-58.6171.5000118.8
586P49.2Very low29.4Very low106 Ų106126.4 Ų126.469%0.68876%0.757SS**  cis-145.1173.1-33.139.4-21.9000117.3
587V28.5Very low29.6Very low116 Ų116126.3 Ų126.370%0.70376%0.757SS**  trans64.7106.8154.6169.90000117.7
588W27.5Very low30Very low221 Ų221127.8 Ų127.884%0.83776%0.764SS**  74.3138.972.3-60.43000114.2
589K31.3Very low30.5Very low168 Ų168124.8 Ų124.873%0.7376%0.762SS**  cis-165.1158.713.2-134.3177.4-176.51790112.9
590T30.2Very low31.3Very low143 Ų143124.9 Ų124.988%0.87776%0.764SS**  trans61.7154.2163.2490000118.6
591G25.5Very low31.3Very low79 Ų79123.4 Ų123.481%0.81477%0.767SS**  cis-151.6-152.95.500000113.1
592S30.4Very low31.1Very low113 Ų113122 Ų12279%0.7977%0.767SS**  trans-132.7155.3-157.2179.70000119
593S31.8Very low31Very low99 Ų99120.4 Ų120.469%0.69276%0.761SS**  trans79127.5142.838.10000125.5
594V30Very low31.1Very low130 Ų130122 Ų12279%0.78876%0.759SS**  trans82.4116.4138.7172.30000122
595S25.2Very low31Very low107 Ų107130.6 Ų130.675%0.74877%0.769SS**  trans46.4162.4140.4-60.40000123.8
596P45.2Very low31.2Very low116 Ų116128.3 Ų128.375%0.75377%0.765SS**  cis-133.1-159.9-23.436.4-15.2000113.8
597T28.6Very low29.9Very low125 Ų125126 Ų12677%0.76776%0.759SS**  trans-43158.2162.242.60000115.7
598P36Very low29.7Very low121 Ų121127 Ų12779%0.78677%0.766SS**  cis-150.4177.843.244.5-24.5000119.7
599S34Very low29.7Very low106 Ų106120.1 Ų120.174%0.74175%0.752SS**  trans-62.7164.8155-22.90000111
600P41.1Very low29.6Very low104 Ų104120.7 Ų120.768%0.67576%0.762SS**  -156.9-164.967.241.7-19.5000115.6
601T24.3Very low30Very low124 Ų124118.2 Ų118.276%0.76174%0.743SS**  trans64150.8153.749.60000119.9
602N23.5Very low31.2Very low143 Ų143122.5 Ų122.577%0.76574%0.74SS**  cis-160.1170.7-31-158.30.1000108.2
603S24.9Very low31.2Very low88 Ų88122.3 Ų122.362%0.61574%0.736SS**  trans46.8103.6154.659.40000119.2
604S29.6Very low30.8Very low112 Ų112125.2 Ų125.278%0.78374%0.742SS**  trans65.788.1130.8-50.10000119.2P606S604-P606 WeakPolarHBondContact O-CD 3.36Å
605W24.4Very low30.6Very low253 Ų253124.2 Ų124.296%0.95874%0.736SS**  trans-94.3107.8144.5-88.962.8000110.2
606P33.6Very low30.7Very low121 Ų121124 Ų12479%0.78674%0.741SS**  trans-86.4107.1154.931.8-26.5000108.4S604S604-P606 WeakPolarHBondContact O-CD 3.36Å
607G23.3Very low29.6Very low56 Ų56124.1 Ų124.158%0.57774%0.74SS**  trans-148.281-164.100000116.5
608V24Very low29.8Very low137 Ų137123.2 Ų123.283%0.8375%0.745SS**  trans35.888.8141.6-1700000115.2
609S27.6Very low29.7Very low78 Ų78122.7 Ų122.755%0.54574%0.744SS.*  55.9110.464.1-86.60000115.1D611S609-D611 VanDerWaalsContact CA-OD2 3.26Å; S609-D611 WeakPolarHBondContact CA-OD2 3.49Å; S609-D611 WeakPolarHBondContact CB-OD2 3.43Å; S609-D611 PolarHBondContact OG-OD2 3.15Å
610L28.3Very low29.3Very low180 Ų180123 Ų12394%0.94275%0.747SS**  trans-143.780.5167.6-111.3172.9000109.4
611D39.7Very low29Very low90 Ų90122.3 Ų122.348%0.48175%0.75SS.*  cis60.4128.14.7-53.5-43.4000116.7S609S609-D611 VanDerWaalsContact CA-OD2 3.26Å; S609-D611 WeakPolarHBondContact CA-OD2 3.49Å; S609-D611 WeakPolarHBondContact CB-OD2 3.43Å; S609-D611 PolarHBondContact OG-OD2 3.15Å
612F50.7Low29.7Very low170 Ų170120.3 Ų120.375%0.74675%0.746SS**  cis-132.8-171.9-7.5-93.5-79.4000107.4
613P29.2Very low30.2Very low109 Ų109120.5 Ų120.571%0.70875%0.747SS**SBend-131149.710837.8-31.7000111.5
614L23.6Very low30.7Very low159 Ų159123.2 Ų123.283%0.83275%0.754SS**SBendcis-124.8118.613.3-69.9163.5000109.9
615V26.1Very low31Very low109 Ų109121.7 Ų121.766%0.66174%0.743SS**  69.3105.287.5174.40000113.5
616A26.8Very low31.4Very low102 Ų102118 Ų11884%0.84374%0.736SS**  trans-122.499.6155.500000108.8
617T23.1Very low31.2Very low119 Ų119118.3 Ų118.373%0.7374%0.736SS**  trans-149.197.817013.30000110.3
618A32.5Very low31.3Very low107 Ų107120.8 Ų120.888%0.88474%0.744SS**  trans-90.996.1168.800000110
619S32.9Very low32.6Very low110 Ų110119.8 Ų119.877%0.76974%0.741SS**  trans-173.1127.9156.121.70000108.2
620S27.3Very low32.6Very low113 Ų113126.2 Ų126.279%0.7975%0.753SS**  cis-151.9171.227.860.40000113.5
621A34.6Very low32.6Very low89 Ų89124.1 Ų124.174%0.73675%0.748SS**  trans51.287.1148.600000120.2
622A37.8Very low32.1Very low82 Ų82123 Ų12368%0.67876%0.757SS**  71.4160.3127.800000121.1
623N34.5Very low31Very low146 Ų146120 Ų12078%0.78176%0.758SS**  trans70.3144.9166.3-54.4-29.1000116.6
624L34.8Very low30.9Very low146 Ų146123.4 Ų123.476%0.76476%0.762SS**  cis-163.8172-23.4-120.2166.7000107.7
625S36Very low31.3Very low80 Ų80121.7 Ų121.756%0.55976%0.757SS**  trans44.3115.2152.261.20000121.2
626E32.4Very low32.4Very low175 Ų175121.7 Ų121.782%0.81876%0.76SS**  66.1155.9119.8-62.1177.3133.300120.1
627T30.4Very low32.4Very low128 Ų128123.3 Ų123.379%0.78576%0.759SS**  cis-144.9161.37.8-17.10000112.9
628S25.2Very low32.6Very low107 Ų107122.4 Ų122.475%0.74876%0.758SS**  trans-64.6173.1159.9-79.60000112.3
629P50.3Low32.4Very low116 Ų116122.4 Ų122.475%0.75375%0.751SS**  cis-143.7-166.533.342.9-19.4000114.7
630R29.3Very low32.2Very low214 Ų214122 Ų12281%0.80876%0.755SS**  cis-162.1142.719.7-156.4175.1-169.9176.42.8113.2
631T28.2Very low32.1Very low135 Ų135126.3 Ų126.383%0.82876%0.762SS**  trans59.4143.9159.337.90000118.9
632G27.4Very low31.6Very low66 Ų66125.5 Ų125.568%0.6876%0.763SS**  cis-115.4-165.8600000115.7
633S27.6Very low31Very low109 Ų109129.5 Ų129.576%0.76277%0.771SS**  trans-174.8160.6-162-95.30000110.8
634K28.8Very low30.5Very low180 Ų180127.1 Ų127.178%0.78377%0.766SS**  cis179.9171.7-9.9-120.1-179.2178.1-178.60108.9
635V32.1Very low30Very low123 Ų123125.6 Ų125.675%0.74577%0.768SS**  trans69.4160.4142.1157.60000117.4
636P48.8Very low30.6Very low109 Ų109126.8 Ų126.871%0.70877%0.773SS**  cis-105.1-154.3-2.528.3-6000111.5
637T26.8Very low30.5Very low135 Ų135125.3 Ų125.383%0.82878%0.776SS**  cis-154178.25.7-27.50000109.8
638S27.8Very low30.4Very low100 Ų100122 Ų12270%0.69977%0.768SS**  trans-149.5167.2173.365.10000115.2
639S27.8Very low30.6Very low107 Ų107123.8 Ų123.875%0.74877%0.774SS**  trans71.5137.5141.256.30000124.2
640A27.7Very low29.6Very low103 Ų103123 Ų12385%0.85177%0.771SS**  trans97.7146.7142.400000121.9
641Q26.8Very low29.7Very low203 Ų203121.7 Ų121.795%0.94977%0.772SS**  trans-73.5157.5-165.2-58.4153.6-32.100115.9
642G24Very low29.7Very low72 Ų72121.2 Ų121.274%0.74277%0.768SS**  trans168101.9161.300000120.3
643I24.8Very low29.8Very low165 Ų165123.2 Ų123.285%0.84677%0.772SS**  trans46.7100.1131.2-55.1174.2000121.1
644S23.5Very low29.7Very low97 Ų97122.3 Ų122.368%0.67877%0.771SS**  trans39.3133.1138.372.10000126.4
645S25.3Very low29.6Very low114 Ų114118 Ų11880%0.79777%0.769SS**  trans75.9159134.7-70.20000121.5
646P48.5Very low29.3Very low105 Ų105117.3 Ų117.368%0.68277%0.77SS**  cis-138.8-170.1-26.939.1-20.2000115.3
647T28.5Very low29.5Very low144 Ų144117.8 Ų117.888%0.88377%0.773SS**  trans67.8139.4161.145.40000120.8
648G29.7Very low30.4Very low58 Ų58116.5 Ų116.560%0.59877%0.767SS**  cis169.2159.5-11.500000116.9
649T30.1Very low30.4Very low144 Ų144116.2 Ų116.288%0.88377%0.77SS**  trans71.7143.9169.478.50000117
650S28.2Very low30.5Very low99 Ų99119.3 Ų119.369%0.69277%0.773SS**  cis-140.6138.88.7-70.60000114
651K30.4Very low30.3Very low188 Ų188121.1 Ų121.182%0.81777%0.768SS**  trans43137.6131.4-59-174.9179.3-179.60120.1
652T29.8Very low30.3Very low124 Ų124122.5 Ų122.576%0.76177%0.765SS**  cis-179.6173.27.917.80000106.8
653S27.9Very low30.4Very low109 Ų109123.4 Ų123.476%0.76276%0.76SS**  cis167146.1-29.758.40000105.9
654A26.6Very low30.4Very low90 Ų90121.7 Ų121.774%0.74476%0.757SS**  cis-148.8171.84.300000106.6
655A26.3Very low30.5Very low88 Ų88124.4 Ų124.473%0.72776%0.763SS**  cis69.5139.332.700000115.7
656S26Very low30.5Very low110 Ų110124.1 Ų124.177%0.76976%0.761SS**  cis-170.1-128.3-16.8-85.10000107.7
657P52.1Low29.7Very low118 Ų118124.6 Ų124.677%0.76677%0.767SS**  -124.7-130.5-121.343.9-23.3000112.2
658P47.1Very low30Very low109 Ų109123.9 Ų123.971%0.70876%0.764SS**  cis-126.3173.2-48.139-24.4000115.2
659A27.4Very low30Very low93 Ų93128 Ų12877%0.76977%0.771SS**  trans72.6160.2142.400000124.1
660Q29.1Very low29.8Very low172 Ų172129.6 Ų129.680%0.80477%0.774SS**  trans91.9121.6162.9-57.4-160.514.600122.1
661N25.1Very low29.7Very low141 Ų141129.4 Ų129.475%0.75477%0.772SS**  trans62.1142.1136.3-71.9-33.2000124.2
662R26.8Very low29.4Very low232 Ų232130.6 Ų130.688%0.87578%0.778SS**  trans67107.5152.8-85.9-173.4172179.5-2.8120.5
663S25.4Very low29.2Very low92 Ų92128.5 Ų128.564%0.64378%0.78SS**  42.3145.3115.3680000122.8
664V25.7Very low29Very low128 Ų128127.4 Ų127.478%0.77679%0.787SS**  trans79.7121.9154.9-680000122.2
665L25.6Very low28.9Very low154 Ų154126.6 Ų126.681%0.80679%0.787SS**  trans85.6120.8138.3-72.7165.5000122.8
666S24.3Very low29.1Very low109 Ų109127.9 Ų127.976%0.76279%0.791SS**  trans85.7134.8132.9-620000122.2
667S31.3Very low29.1Very low114 Ų114128.6 Ų128.680%0.79780%0.796SS**  trans-92.7166171.9-28.20000112.8
668P36.3Very low28.2Very low129 Ų129126.7 Ų126.784%0.83879%0.79SS**  trans-111.3175.1157.536.6-27.6000113.8
669I28.3Very low27.2Very low145 Ų145128.5 Ų128.574%0.74479%0.794SS**  trans-132.5153-165.5-62.2161.1000110.9
670L26.4Very low27.2Very low178 Ų178131 Ų13193%0.93279%0.794SS**  trans-142.5166.3153.7-75.9-175.6000112
671S25.8Very low26.9Very low95 Ų95130.1 Ų130.166%0.66479%0.794SS**  trans-142.4-169.2-143.1-50.90000118.3
672F24.9Very low27.7Very low213 Ų213129.1 Ų129.193%0.93480%0.796SS**  trans94.6146.5176.1-57.2-71.1000116.9
673G24.1Very low27.7Very low79 Ų79123.3 Ų123.381%0.81479%0.79SS**  cis115.8134.9-11.900000116.1
674G25.2Very low28.6Very low87 Ų87125.2 Ų125.290%0.89780%0.801SS**  cis159.1137.7-10.600000115
675G24.1Very low28.6Very low73 Ų73122.5 Ų122.575%0.75380%0.799SS**  trans156.3166.517400000114.6
676S29.3Very low28.7Very low115 Ų115122.1 Ų122.180%0.80480%0.797SS**  cis-170.4162.4-10-79.60000113.8
677S26.9Very low28.8Very low125 Ų125125.5 Ų125.587%0.87480%0.798SS**  trans80.4155.2158.7-56.40000122
678A32.5Very low28.5Very low78 Ų78125 Ų12565%0.64579%0.794SS**  cis-176.3167.1-29.600000113.7
679N26.3Very low28.6Very low146 Ų146123.9 Ų123.978%0.78179%0.787SS**  trans88.1147.1168.1-54.7-29000119.6
680N28.3Very low28.5Very low146 Ų146121.8 Ų121.878%0.78179%0.785SS**  cis-161.8174.8-21.3-107.1-28.4000114.8
681L22.8Very low28.5Very low154 Ų154119.5 Ų119.581%0.80678%0.779SS**  trans-76.7-173.9-169.5-110.470.2000117.7
682P41Very low28.6Very low120 Ų120124.4 Ų124.478%0.77979%0.789SS**  cis-139.3-174.516.739.8-17.1000119.8
683S26.7Very low28.6Very low110 Ų110119 Ų11977%0.76978%0.783SS**  trans-110.1-174.8-179.9-38.90000113.4
684P44.8Very low28.6Very low132 Ų132122 Ų12286%0.85778%0.78SS**  -147.9-178.366.738.6-16.8000115.6
685G24.9Very low28.6Very low71 Ų71123.4 Ų123.473%0.73277%0.772SS**  cis173.2-159.3-3.300000114.4
686N28.8Very low29Very low146 Ų146126 Ų12678%0.78178%0.775SS**  trans87.584.9174.7-79.4-24.9000122.4
687K26.4Very low28.8Very low180 Ų180126 Ų12678%0.78378%0.775SS**  7086.4121-66.7176.4-177.4178.30123.4
688S24.9Very low28.5Very low102 Ų102125.2 Ų125.271%0.71377%0.77SS**  46.4154.89673.50000122.4
689P39.2Very low28.4Very low106 Ų106129.2 Ų129.269%0.68878%0.78SS**  cis-148.5179.2-25.338.2-18.2000118
690S25.6Very low28.4Very low101 Ų101132.1 Ų132.171%0.70679%0.785SS**  trans77.9145.1142.7770000119.4
691T26.6Very low28.3Very low130 Ų130130 Ų13080%0.79879%0.787SS**  cis-163.6167.7-13.7200000107.2
692K27Very low28.4Very low199 Ų199131.4 Ų131.487%0.86579%0.79SS**  cis-139.2167.312-63.2179.2-176.9176.80107.5
693A25Very low27.7Very low98 Ų98131.2 Ų131.281%0.8179%0.792SS**  cis-151.5166.6-15.600000106.6
694N24.3Very low27.8Very low143 Ų143132 Ų13277%0.76579%0.792SS**  trans-141.6139.5-161.3-148.48.7000114.8
695T24.5Very low27Very low117 Ų117131 Ų13172%0.71879%0.788SS**  trans57.4173.2152.533.30000119.3
696P32.9Very low27.5Very low126 Ų126134.8 Ų134.882%0.81879%0.79SS**  cis-123.3-179.12.926.4-2.2000117.1
697S25.1Very low27.9Very low116 Ų116136.5 Ų136.581%0.81179%0.79SS**  trans-74.2155.2-170.752.60000117.9
698S21.9Very low28.9Very low109 Ų109133.6 Ų133.676%0.76279%0.79SS**  trans-155.9129.5133.9-164.10000113.9
699L29.9Very low30.6Very low162 Ų162132 Ų13285%0.84878%0.778SS**  trans19.7119152.4-57172.2000120.6
700K25.3Very low32.4Very low207 Ų207130.9 Ų130.990%0.977%0.773SS**  trans-132.1147.3134.9-88.6-169.9174.8-178.10109.1
701A27.5Very low35.3Very low100 Ų100126.2 Ų126.283%0.82674%0.74SS**  trans-71.9130.6174.300000110S703A701-S703 PolarHBondContact O-N 2.93Å
702E23.9Very low38.1Very low185 Ų185121 Ų12186%0.86471%0.708SS**  trans-73.7113.5162.8-74.8-176.2116.300108.5T704E702-T704 PolarHBondContact O-N 3.31Å; E702-T704 VanDerWaalsContact O-N 3.08Å
703S27.1Very low40.8Very low116 Ų116112.7 Ų112.781%0.81167%0.674SS**  trans-64103.8158.451.20000107.4A701 S705A701-S703 PolarHBondContact O-N 2.93Å; S703-S705 PolarHBondContact O-N 3.33Å
704T27.6Very low43.5Very low126 Ų126108.6 Ų108.677%0.77364%0.64SS**  trans-58.8104.9172.930.40000108.9E702 I706E702-T704 PolarHBondContact O-N 3.31Å; E702-T704 VanDerWaalsContact O-N 3.08Å; T704-I706 VanDerWaalsContact C-N 3.32Å; T704-I706 PolarHBondContact O-N 2.97Å
705S28.7Very low46.2Very low111 Ų111108 Ų10878%0.77663%0.632SS**  trans-66.496.2171.3-172.80000107.8S703 K707S703-S705 PolarHBondContact O-N 3.33Å; S705-K707 PolarHBondContact O-N 3.14Å
706I36.1Very low49.1Very low151 Ų151106.3 Ų106.377%0.77462%0.616SS**  trans-63.2103.6170.3-62171.7000105.6T704T704-I706 VanDerWaalsContact C-N 3.32Å; T704-I706 PolarHBondContact O-N 2.97Å
707K35.9Very low51.7Low181 Ų181100.3 Ų100.379%0.78758%0.577SS**  trans-53.8130.8165.5-71.4-171.7174.5-170.40107S705 C709S705-K707 PolarHBondContact O-N 3.14Å; K707-C709 PolarHBondContact O-N 2.85Å
708P48.5Very low54.5Low119 Ų11994.8 Ų94.877%0.77354%0.539SS*.  trans-55.4132.5173.724.9-33.2000108.2S710P708-S710 PolarHBondContact O-N 3.19Å
709C59.2Low57.5Low70 Ų7094.2 Ų94.247%0.47352%0.522SS..  trans-77.197.1-178.5-1460000107.4L356 Y360 K707L356-C709 HydrophobicContact CD1-CB 4.22Å; Y360-C709 VanDerWaalsContact CD2-O 3.26Å; Y360-C709 WeakPolarHBondContact CD2-O 3.35Å; K707-C709 PolarHBondContact O-N 2.85Å
710S77.9Confident59.9Low81 Ų8188 Ų8857%0.56650%0.498SS*.PPolyproline II helixtrans-56.8140.8174.551.90000110P708 E780P708-S710 PolarHBondContact O-N 3.19Å; S710-E780 WeakPolarHBondContact CA-OE1 3.32Å; S710-E780 WeakPolarHBondContact CB-OE1 3.2Å
711L86.4Confident62.8Low4 Ų478.8 Ų78.82%0.02146%0.458CS..PPolyproline II helixtrans-74.9162.5175.2-64.8174.9000109.6L356 L357 Y360 F717 Y776 E780 W782L356-L711 HydrophobicContact CD2-CD2 4.48Å; L356-L711 HydrophobicContact CG-CD2 4Å; L357-L711 HydrophobicContact CD1-CD1 4.07Å; Y360-L711 HydrophobicContact CD1-CD1 3.97Å; Y360-L711 HydrophobicContact CD1-CG 4.38Å; Y360-L711 HydrophobicContact CD2-CD2 4.33Å; Y360-L711 HydrophobicContact CD2-CG 4.11Å; Y360-L711 HydrophobicContact CE1-CD1 4.17Å; Y360-L711 HydrophobicContact CE2-CG 4.4Å; Y360-L711 HydrophobicContact CG-CD1 4.17Å; Y360-L711 HydrophobicContact CG-CD2 4.07Å; Y360-L711 HydrophobicContact CG-CG 4.09Å; L711-F717 HydrophobicContact CD2-CZ 4.23Å; L711-Y776 HydrophobicContact CB-CD2 4.23Å; L711-Y776 HydrophobicContact CB-CE2 3.82Å; L711-Y776 HydrophobicContact CD1-CD2 3.7Å; L711-Y776 HydrophobicContact CD1-CE2 4.09Å; L711-E780 WeakPolarHBondContact CB-OE2 3.34Å; L711-E780 PolarHBondContact N-OE1 3.05Å; L711-W782 WeakPolarHBondContact O-CH2 3.43Å
712P85.8Confident65.8Low20 Ų2074.5 Ų74.513%0.1342%0.422CS..PPolyproline II helixtrans-72.5158.5173.2-15.931.7000111.4L356 E716 F717 Y776L356-P712 HydrophobicContact CD2-CG 4.03Å; P712-E716 HydrophobicContact CB-CG 4.46Å; P712-F717 HydrophobicContact CB-CB 4.11Å; P712-F717 HydrophobicContact CB-CD2 4.17Å; P712-F717 HydrophobicContact CB-CG 4.47Å; P712-F717 VanDerWaalsContact CD-CD2 3.5Å; P712-F717 HydrophobicContact CG-CD2 3.72Å; P712-F717 HydrophobicContact CG-CE2 4.26Å; P712-F717 HydrophobicContact CG-CG 4.47Å; P712-Y776 PolarHBondContact O-OH 3.37Å
713P83.6Confident69.1Low24 Ų2465.8 Ų65.816%0.15638%0.381CS..PPolyproline II helixtrans-65.2152.9178.825.6-34.1000112.5H715 E716 F717 W782P713-H715 VanDerWaalsContact CB-CE1 3.49Å; P713-H715 WeakPolarHBondContact CB-CE1 3.45Å; P713-H715 VanDerWaalsContact CG-CE1 3.49Å; P713-H715 WeakPolarHBondContact CG-CE1 3.46Å; P713-H715 PolarHBondContact O-N 2.98Å; P713-E716 HydrophobicContact CG-CB 4.11Å; P713-E716 PolarHBondContact O-N 3.24Å; P713-F717 WeakPolarHBondContact O-CB 3.39Å; P713-F717 PolarHBondContact O-N 3.5Å; P713-W782 HydrophobicContact CB-CD2 3.99Å; P713-W782 HydrophobicContact CB-CE3 3.65Å; P713-W782 HydrophobicContact CB-CH2 3.97Å; P713-W782 HydrophobicContact CB-CZ2 4.26Å; P713-W782 HydrophobicContact CB-CZ3 3.65Å; P713-W782 HydrophobicContact CG-CZ3 4.22Å
714P82.5Confident72.4Confident13 Ų1360.6 Ų60.68%0.08434%0.344CS..THydrogen-bonded Turntrans-56.4-23.4-173.7-28.634.1000116P722 Y776 L777P714-P722 HydrophobicContact CB-CG 4.41Å; P714-Y776 WeakPolarHBondContact CA-OH 3.23Å; P714-Y776 WeakPolarHBondContact CD-OH 3.38Å; P714-Y776 HydrophobicContact CG-CE1 3.99Å; P714-Y776 VanDerWaalsContact N-OH 3.16Å; P714-L777 HydrophobicContact CG-CD2 3.99Å
715H80.3Confident75.7Confident129 Ų12954.7 Ų54.760%0.59731%0.308SS*.THydrogen-bonded Turntrans-79.7-29.4176.961.7-104.6000113.3P713 G720P713-H715 VanDerWaalsContact CB-CE1 3.49Å; P713-H715 WeakPolarHBondContact CB-CE1 3.45Å; P713-H715 VanDerWaalsContact CG-CE1 3.49Å; P713-H715 WeakPolarHBondContact CG-CE1 3.46Å; P713-H715 PolarHBondContact O-N 2.98Å; H715-G720 PolarHBondContact O-N 3.13Å; H715-G720 VanDerWaalsContact O-N 3.13Å
716E84.9Confident78.9Confident83 Ų8349.5 Ų49.539%0.38827%0.271SS..THydrogen-bonded Turntrans-93.9-33.8175.4174.8148.8-122.200112H353 P712 P713 G718 K719H353-E716 PolarHBondContact CE1-O 3.42Å; H353-E716 VanDerWaalsContact CE1-O 3.29Å; P712-E716 HydrophobicContact CB-CG 4.46Å; P713-E716 HydrophobicContact CG-CB 4.11Å; P713-E716 PolarHBondContact O-N 3.24Å; E716-G718 PolarHBondContact O-N 3.1Å; E716-K719 VanDerWaalsContact O-CA 3.24Å; E716-K719 WeakPolarHBondContact O-CA 3.42Å; E716-K719 PolarHBondContact O-N 3.48Å; E716-K719 IonicContact OE1-NZ 2.82Å; E716-K719 PolarHBondContact OE1-NZ 3.07Å
717F88.1Confident81.8Confident0 Ų042.3 Ų42.30%023%0.234CC..G310 helixtrans-66.8128.1-177-163.4-140.2000111.1H353 L357 L711 P712 P713 K719 G720 P722 L725 F726 Y776H353-F717 HydrophobicContact CB-CD2 3.8Å; H353-F717 HydrophobicContact CB-CE2 3.66Å; H353-F717 AromaticContact CG-CD2 3.75Å; L357-F717 HydrophobicContact CB-CZ 3.93Å; L357-F717 HydrophobicContact CD1-CE1 4.39Å; L357-F717 HydrophobicContact CD1-CZ 4.1Å; L357-F717 HydrophobicContact CD2-CE1 4.41Å; L357-F717 HydrophobicContact CD2-CZ 4.14Å; L357-F717 HydrophobicContact CG-CZ 4.25Å; L711-F717 HydrophobicContact CD2-CZ 4.23Å; P712-F717 HydrophobicContact CB-CB 4.11Å; P712-F717 HydrophobicContact CB-CD2 4.17Å; P712-F717 HydrophobicContact CB-CG 4.47Å; P712-F717 VanDerWaalsContact CD-CD2 3.5Å; P712-F717 HydrophobicContact CG-CD2 3.72Å; P712-F717 HydrophobicContact CG-CE2 4.26Å; P712-F717 HydrophobicContact CG-CG 4.47Å; P713-F717 WeakPolarHBondContact O-CB 3.39Å; P713-F717 PolarHBondContact O-N 3.5Å; F717-K719 PolarHBondContact O-N 2.87Å; F717-G720 PolarHBondContact O-N 3.42Å; F717-P722 HydrophobicContact CB-CB 4.21Å; F717-P722 HydrophobicContact CD1-CB 3.64Å; F717-P722 HydrophobicContact CG-CB 4.28Å; F717-L725 HydrophobicContact CD1-CD1 4.42Å; F717-L725 HydrophobicContact CD2-CD1 3.97Å; F717-L725 HydrophobicContact CE1-CD1 4.25Å; F717-L725 HydrophobicContact CE2-CD1 3.81Å; F717-L725 HydrophobicContact CG-CD1 4.3Å; F717-L725 HydrophobicContact CZ-CD1 3.96Å; F717-F726 HydrophobicContact CD1-CE2 4.32Å; F717-F726 AromaticContact CE1-CE2 3.75Å; F717-F726 HydrophobicContact CE1-CE2 3.75Å; F717-F726 HydrophobicContact CE1-CZ 4.09Å; F717-Y776 HydrophobicContact CD1-CE1 4.17Å; F717-Y776 HydrophobicContact CD1-CE2 4.35Å; F717-Y776 AromaticContact CD1-CZ 3.78Å
718G82.7Confident84.7Confident0 Ų033.7 Ų33.70%020%0.197CC..G310 helixtrans58.811.4-166.900000115.2K350 H353 E716K350-G718 WeakPolarHBondContact CE-O 3.29Å; H353-G718 PolarHBondContact ND1-N 3.06Å; E716-G718 PolarHBondContact O-N 3.1Å
719K85.8Confident87.1Confident97 Ų9728 Ų2842%0.42216%0.16SC..G310 helixtrans48.663.7-163.7-68.6-63.8-172.1-169.40112.2L346 I349 E716 F717 N721L346-K719 HydrophobicContact CD1-CB 3.67Å; L346-K719 HydrophobicContact CD1-CG 3.71Å; I349-K719 HydrophobicContact CG2-CG 4.02Å; E716-K719 VanDerWaalsContact O-CA 3.24Å; E716-K719 WeakPolarHBondContact O-CA 3.42Å; E716-K719 PolarHBondContact O-N 3.48Å; E716-K719 IonicContact OE1-NZ 2.82Å; E716-K719 PolarHBondContact OE1-NZ 3.07Å; F717-K719 PolarHBondContact O-N 2.87Å; K719-N721 VanDerWaalsContact C-N 3.3Å; K719-N721 PolarHBondContact O-N 3.49Å
720G79.7Confident88.9Confident32 Ų3224.7 Ų24.733%0.3314%0.138SC..SBendtrans84.5-5175.400000115L408 H715 F717 P722L408-G720 VanDerWaalsContact CD2-O 3.29Å; L408-G720 WeakPolarHBondContact CD2-O 3.42Å; H715-G720 PolarHBondContact O-N 3.13Å; H715-G720 VanDerWaalsContact O-N 3.13Å; F717-G720 PolarHBondContact O-N 3.42Å; G720-P722 WeakPolarHBondContact O-CD 3.27Å
721N86.1Confident89.9Confident13 Ų1320.9 Ų20.97%0.0711%0.111CC..  trans-120.770.7169.6-169-13.7000111E387 L408 K719 M724E387-N721 PolarHBondContact OE1-ND2 2.84Å; L408-N721 HydrophobicContact CD2-CB 3.85Å; K719-N721 VanDerWaalsContact C-N 3.3Å; K719-N721 PolarHBondContact O-N 3.49Å; N721-M724 VanDerWaalsContact ND2-CG 3.29Å; N721-M724 WeakPolarHBondContact ND2-CG 3.44Å; N721-M724 WeakPolarHBondContact OD1-CB 3.47Å; N721-M724 WeakPolarHBondContact OD1-CG 3.31Å; N721-M724 PolarHBondContact OD1-N 3.44Å
722P91.3Very high90.4Very high10 Ų1020.7 Ų20.77%0.06511%0.11CC..Hα-helixtrans-67.6-34.917827.2-35000112.3P714 F717 G720 M724 L725 F726 F773 Y776P714-P722 HydrophobicContact CB-CG 4.41Å; F717-P722 HydrophobicContact CB-CB 4.21Å; F717-P722 HydrophobicContact CD1-CB 3.64Å; F717-P722 HydrophobicContact CG-CB 4.28Å; G720-P722 WeakPolarHBondContact O-CD 3.27Å; P722-M724 VanDerWaalsContact C-N 3.27Å; P722-M724 PolarHBondContact O-N 3.1Å; P722-L725 WeakPolarHBondContact O-CB 3.43Å; P722-L725 PolarHBondContact O-N 3.37Å; P722-F726 WeakPolarHBondContact O-CD2 3.44Å; P722-F726 PolarHBondContact O-N 2.67Å; P722-F773 HydrophobicContact CB-CE2 4.03Å; P722-F773 HydrophobicContact CG-CE2 3.72Å; P722-F773 HydrophobicContact CG-CZ 4.09Å; P722-Y776 HydrophobicContact CB-CE1 4.36Å
723F94.2Very high90.9Very high1 Ų121 Ų210%0.00411%0.11CC..Hα-helixtrans-61-32.9-176.2-175.4-111.5000113Y199 M400 V403 S407 L725 F726 L727 L766 A769 K770 F773Y199-F723 HydrophobicContact CE2-CD1 4.32Å; Y199-F723 HydrophobicContact CE2-CD2 4.15Å; Y199-F723 AromaticContact CE2-CE1 3.98Å; Y199-F723 HydrophobicContact CE2-CE1 3.98Å; Y199-F723 AromaticContact CE2-CE2 3.81Å; Y199-F723 HydrophobicContact CE2-CE2 3.81Å; Y199-F723 HydrophobicContact CE2-CG 4.41Å; Y199-F723 AromaticContact CE2-CZ 3.72Å; Y199-F723 HydrophobicContact CE2-CZ 3.72Å; Y199-F723 WeakPolarHBondContact OH-CE2 3.43Å; M400-F723 HydrophobicContact CE-CE1 4.47Å; V403-F723 HydrophobicContact CG1-CE1 3.94Å; V403-F723 HydrophobicContact CG1-CZ 4.16Å; S407-F723 WeakPolarHBondContact OG-CB 3.31Å; S407-F723 WeakPolarHBondContact OG-CD1 3.19Å; F723-L725 VanDerWaalsContact C-N 3.25Å; F723-L725 PolarHBondContact O-N 3.41Å; F723-F726 PolarHBondContact O-N 2.89Å; F723-F726 VanDerWaalsContact O-N 3.15Å; F723-L727 HydrophobicContact CD1-CD1 3.77Å; F723-L727 HydrophobicContact CD1-CG 4.2Å; F723-L727 HydrophobicContact CE1-CD1 3.61Å; F723-L727 HydrophobicContact CE1-CD2 4.01Å; F723-L727 HydrophobicContact CE1-CG 3.87Å; F723-L727 HydrophobicContact CZ-CD1 4.34Å; F723-L727 HydrophobicContact CZ-CD2 3.95Å; F723-L727 HydrophobicContact CZ-CG 4.11Å; F723-L727 WeakPolarHBondContact O-CG 3.36Å; F723-L727 PolarHBondContact O-N 3.16Å; F723-L766 HydrophobicContact CZ-CD2 4.39Å; F723-A769 HydrophobicContact CE2-CB 4.1Å; F723-A769 HydrophobicContact CZ-CB 4.32Å; F723-K770 HydrophobicContact CE2-CG 4.26Å; F723-K770 HydrophobicContact CZ-CG 4.32Å; F723-F773 HydrophobicContact CB-CE1 4.41Å; F723-F773 HydrophobicContact CB-CZ 4.46Å; F723-F773 HydrophobicContact CD2-CB 3.99Å; F723-F773 AromaticContact CD2-CD1 3.71Å; F723-F773 HydrophobicContact CD2-CD1 3.71Å; F723-F773 HydrophobicContact CD2-CE1 4.32Å; F723-F773 AromaticContact CD2-CG 3.85Å; F723-F773 HydrophobicContact CD2-CG 3.85Å; F723-F773 HydrophobicContact CE2-CB 4.41Å; F723-F773 HydrophobicContact CE2-CD1 4.44Å; F723-F773 HydrophobicContact CG-CD1 4.5Å
724M95Very high91.5Very high8 Ų821.7 Ų21.74%0.03911%0.111CC..Hα-helixtrans-58.2-33.6171-87.8-58.9-50.900114E387 L388 T404 N721 P722 L727 C728E387-M724 HydrophobicContact CB-CE 4.34Å; E387-M724 HydrophobicContact CB-SD 4.14Å; E387-M724 HydrophobicContact CG-SD 4.31Å; L388-M724 HydrophobicContact CD1-CE 3.96Å; L388-M724 HydrophobicContact CG-CE 4.02Å; T404-M724 HydrophobicContact CG2-CG 3.76Å; T404-M724 HydrophobicContact CG2-SD 3.62Å; N721-M724 VanDerWaalsContact ND2-CG 3.29Å; N721-M724 WeakPolarHBondContact ND2-CG 3.44Å; N721-M724 WeakPolarHBondContact OD1-CB 3.47Å; N721-M724 WeakPolarHBondContact OD1-CG 3.31Å; N721-M724 PolarHBondContact OD1-N 3.44Å; P722-M724 VanDerWaalsContact C-N 3.27Å; P722-M724 PolarHBondContact O-N 3.1Å; M724-L727 HydrophobicContact SD-CD1 3.82Å; M724-C728 PolarHBondContact O-N 3.05Å; M724-C728 PolarHBondContact O-SG 3.4Å
725L96.3Very high92.1Very high1 Ų122.3 Ų22.31%0.00511%0.113CC..Hα-helixtrans-72.3-38.5176.4-52.7-177.5000111.1H353 L354 L357 L384 F717 P722 F723 L727 C728 L729H353-L725 HydrophobicContact CB-CD1 3.51Å; L354-L725 HydrophobicContact CB-CD2 4.4Å; L354-L725 HydrophobicContact CD1-CB 4.48Å; L357-L725 HydrophobicContact CD2-CB 3.64Å; L384-L725 HydrophobicContact CD2-CD2 3.84Å; F717-L725 HydrophobicContact CD1-CD1 4.42Å; F717-L725 HydrophobicContact CD2-CD1 3.97Å; F717-L725 HydrophobicContact CE1-CD1 4.25Å; F717-L725 HydrophobicContact CE2-CD1 3.81Å; F717-L725 HydrophobicContact CG-CD1 4.3Å; F717-L725 HydrophobicContact CZ-CD1 3.96Å; P722-L725 WeakPolarHBondContact O-CB 3.43Å; P722-L725 PolarHBondContact O-N 3.37Å; F723-L725 VanDerWaalsContact C-N 3.25Å; F723-L725 PolarHBondContact O-N 3.41Å; L725-L727 VanDerWaalsContact C-N 3.32Å; L725-L727 PolarHBondContact O-N 3.5Å; L725-C728 PolarHBondContact O-N 3.22Å; L725-L729 WeakPolarHBondContact O-CB 3.17Å; L725-L729 PolarHBondContact O-N 3.14Å
726F96.8Very high92.9Very high3 Ų318 Ų181%0.0139%0.092CC..Hα-helixtrans-66.5-31.1174.6-73.1-80.3000113.2L357 F717 P722 F723 L729 S730 A769 L772 F773 Y776L357-F726 HydrophobicContact CD1-CD1 4.28Å; L357-F726 HydrophobicContact CD1-CE1 3.62Å; L357-F726 HydrophobicContact CD1-CZ 3.76Å; L357-F726 HydrophobicContact CD2-CD1 4.19Å; L357-F726 HydrophobicContact CD2-CD2 4.44Å; L357-F726 HydrophobicContact CD2-CE1 4.26Å; L357-F726 HydrophobicContact CD2-CE2 4.48Å; L357-F726 HydrophobicContact CD2-CG 4.29Å; L357-F726 HydrophobicContact CD2-CZ 4.39Å; F717-F726 HydrophobicContact CD1-CE2 4.32Å; F717-F726 AromaticContact CE1-CE2 3.75Å; F717-F726 HydrophobicContact CE1-CE2 3.75Å; F717-F726 HydrophobicContact CE1-CZ 4.09Å; P722-F726 WeakPolarHBondContact O-CD2 3.44Å; P722-F726 PolarHBondContact O-N 2.67Å; F723-F726 PolarHBondContact O-N 2.89Å; F723-F726 VanDerWaalsContact O-N 3.15Å; F726-L729 HydrophobicContact CD1-CD2 4.5Å; F726-S730 WeakPolarHBondContact O-CB 3.46Å; F726-S730 PolarHBondContact O-N 3.02Å; F726-A769 HydrophobicContact CB-CB 4.47Å; F726-L772 HydrophobicContact CD1-CB 3.6Å; F726-L772 HydrophobicContact CE1-CB 4.05Å; F726-L772 WeakPolarHBondContact CE1-O 3.49Å; F726-F773 HydrophobicContact CB-CB 4.33Å; F726-F773 HydrophobicContact CD1-CB 4.43Å; F726-F773 HydrophobicContact CD2-CB 4.07Å; F726-F773 AromaticContact CD2-CD2 3.54Å; F726-F773 HydrophobicContact CD2-CD2 3.54Å; F726-F773 HydrophobicContact CD2-CE2 4.42Å; F726-F773 HydrophobicContact CD2-CG 4.2Å; F726-F773 AromaticContact CE2-CD2 3.62Å; F726-F773 HydrophobicContact CE2-CD2 3.62Å; F726-F773 HydrophobicContact CE2-CE2 4.37Å; F726-F773 HydrophobicContact CG-CB 4.01Å; F726-F773 HydrophobicContact CG-CD2 4.34Å; F726-F773 HydrophobicContact CZ-CD2 4.45Å; F726-Y776 AromaticContact CE2-CD1 3.68Å; F726-Y776 HydrophobicContact CE2-CD1 3.68Å; F726-Y776 HydrophobicContact CE2-CE1 4.15Å; F726-Y776 HydrophobicContact CE2-CG 4.03Å; F726-Y776 AromaticContact CZ-CD1 3.75Å; F726-Y776 HydrophobicContact CZ-CD1 3.75Å; F726-Y776 HydrophobicContact CZ-CD2 4.3Å; F726-Y776 AromaticContact CZ-CG 3.6Å; F726-Y776 HydrophobicContact CZ-CG 3.6Å
727L97.3Very high93.4Very high0 Ų019.1 Ų19.10%010%0.1CC..Hα-helixtrans-66.7-44.9170.9-69163.9000111.8L388 M400 T404 F723 M724 L725 S730 I731 V765 L766 A769L388-L727 HydrophobicContact CD1-CB 3.53Å; L388-L727 HydrophobicContact CD1-CD1 4.39Å; M400-L727 HydrophobicContact CE-CD1 3.5Å; M400-L727 HydrophobicContact CE-CD2 3.43Å; M400-L727 VanDerWaalsContact CE-CD2 3.43Å; M400-L727 HydrophobicContact CE-CG 4.13Å; M400-L727 HydrophobicContact SD-CD1 3.72Å; M400-L727 HydrophobicContact SD-CD2 4.27Å; T404-L727 VanDerWaalsContact OG1-CD1 3.32Å; T404-L727 WeakPolarHBondContact OG1-CD1 3.47Å; F723-L727 HydrophobicContact CD1-CD1 3.77Å; F723-L727 HydrophobicContact CD1-CG 4.2Å; F723-L727 HydrophobicContact CE1-CD1 3.61Å; F723-L727 HydrophobicContact CE1-CD2 4.01Å; F723-L727 HydrophobicContact CE1-CG 3.87Å; F723-L727 HydrophobicContact CZ-CD1 4.34Å; F723-L727 HydrophobicContact CZ-CD2 3.95Å; F723-L727 HydrophobicContact CZ-CG 4.11Å; F723-L727 WeakPolarHBondContact O-CG 3.36Å; F723-L727 PolarHBondContact O-N 3.16Å; M724-L727 HydrophobicContact SD-CD1 3.82Å; L725-L727 VanDerWaalsContact C-N 3.32Å; L725-L727 PolarHBondContact O-N 3.5Å; L727-S730 WeakPolarHBondContact O-CB 3.48Å; L727-S730 PolarHBondContact O-N 3.08Å; L727-I731 PolarHBondContact O-N 3.08Å; L727-V765 HydrophobicContact CD2-CG1 4.24Å; L727-L766 HydrophobicContact CD2-CD2 4.21Å; L727-A769 HydrophobicContact CD2-CB 3.63Å; L727-A769 HydrophobicContact CG-CB 4.12Å
728C97.7Very high93.8Very high0 Ų023.3 Ų23.30%012%0.12CC..Hα-helixtrans-62.3-49175-63.60000111.2L354 W383 M724 L725 S730 I731 L732L354-C728 HydrophobicContact CD1-CB 3.76Å; L354-C728 HydrophobicContact CD2-CB 4.06Å; W383-C728 HydrophobicContact CE3-CB 4.11Å; M724-C728 PolarHBondContact O-N 3.05Å; M724-C728 PolarHBondContact O-SG 3.4Å; L725-C728 PolarHBondContact O-N 3.22Å; C728-S730 VanDerWaalsContact C-N 3.28Å; C728-S730 PolarHBondContact O-N 3.45Å; C728-I731 PolarHBondContact O-N 2.9Å; C728-I731 VanDerWaalsContact O-N 3.15Å; C728-L732 WeakPolarHBondContact O-CG 3.36Å; C728-L732 PolarHBondContact O-N 3.38Å
729L97.7Very high94.5Very high0 Ų023.3 Ų23.30%012%0.12CC..Hα-helixtrans-55.4-43.5173.6177.869000111.4L357 L358 S361 L725 F726 I731 L732 L733 L772L357-L729 HydrophobicContact CD1-CD2 4.09Å; L357-L729 HydrophobicContact CD2-CB 4.09Å; L357-L729 HydrophobicContact CD2-CD2 4.21Å; L357-L729 HydrophobicContact CG-CB 4.4Å; L357-L729 HydrophobicContact CG-CD2 3.85Å; L358-L729 HydrophobicContact CB-CD1 4.36Å; L358-L729 HydrophobicContact CD1-CD1 3.66Å; S361-L729 WeakPolarHBondContact OG-CD2 3.32Å; L725-L729 WeakPolarHBondContact O-CB 3.17Å; L725-L729 PolarHBondContact O-N 3.14Å; F726-L729 HydrophobicContact CD1-CD2 4.5Å; L729-I731 PolarHBondContact O-N 2.81Å; L729-L732 WeakPolarHBondContact O-CB 3.38Å; L729-L732 PolarHBondContact O-N 3.24Å; L729-L732 VanDerWaalsContact O-N 3.16Å; L729-L733 HydrophobicContact CD1-CD1 3.84Å; L729-L733 HydrophobicContact CD1-CD2 4.29Å; L729-L733 HydrophobicContact CD1-CG 3.83Å; L729-L733 HydrophobicContact CD2-CD1 4.12Å; L729-L733 HydrophobicContact CG-CD1 3.75Å; L729-L733 HydrophobicContact CG-CG 4.07Å; L729-L733 WeakPolarHBondContact O-CB 3.36Å; L729-L733 WeakPolarHBondContact O-CG 3.16Å; L729-L733 PolarHBondContact O-N 3.13Å; L729-L772 HydrophobicContact CD2-CD1 3.81Å; L729-L772 HydrophobicContact CG-CD1 4.33Å
730S97.6Very high95Very high0 Ų020.4 Ų20.40%011%0.108CC..Hα-helixtrans-60.9-32.7-179.4178.80000113.1F726 L727 C728 E734 V765 R768F726-S730 WeakPolarHBondContact O-CB 3.46Å; F726-S730 PolarHBondContact O-N 3.02Å; L727-S730 WeakPolarHBondContact O-CB 3.48Å; L727-S730 PolarHBondContact O-N 3.08Å; C728-S730 VanDerWaalsContact C-N 3.28Å; C728-S730 PolarHBondContact O-N 3.45Å; S730-E734 PolarHBondContact O-N 2.73Å; S730-V765 WeakPolarHBondContact OG-CA 3.41Å; S730-V765 PolarHBondContact OG-O 2.93Å; S730-R768 PolarHBondContact O-NH1 3.02Å; S730-R768 WeakPolarHBondContact OG-CB 3.49Å; S730-R768 WeakPolarHBondContact OG-CD 3.41Å
731I97.7Very high95.8Very high0 Ų027.6 Ų27.60%013%0.13CC..Hα-helixtrans-74.9-45.6173.5-66.9169.6000110.7W383 L388 F392 L727 C728 L729 L733 E734 H735 F753 H760 V765W383-I731 HydrophobicContact CH2-CB 4.2Å; W383-I731 HydrophobicContact CH2-CG2 3.49Å; W383-I731 VanDerWaalsContact CH2-CG2 3.49Å; W383-I731 HydrophobicContact CZ2-CG2 3.95Å; W383-I731 HydrophobicContact CZ3-CB 4.17Å; W383-I731 HydrophobicContact CZ3-CG2 3.97Å; L388-I731 HydrophobicContact CD1-CD1 4.26Å; L388-I731 HydrophobicContact CD2-CD1 3.56Å; F392-I731 HydrophobicContact CZ-CD1 4.36Å; L727-I731 PolarHBondContact O-N 3.08Å; C728-I731 PolarHBondContact O-N 2.9Å; C728-I731 VanDerWaalsContact O-N 3.15Å; L729-I731 PolarHBondContact O-N 2.81Å; I731-L733 VanDerWaalsContact C-N 3.32Å; I731-L733 PolarHBondContact O-N 3.13Å; I731-E734 WeakPolarHBondContact O-CB 3.41Å; I731-E734 PolarHBondContact O-N 3.15Å; I731-H735 PolarHBondContact O-CD2 3.32Å; I731-H735 PolarHBondContact O-N 3.1Å; I731-F753 HydrophobicContact CG2-CD1 4.35Å; I731-F753 HydrophobicContact CG2-CE1 3.88Å; I731-H760 VanDerWaalsContact CG2-CE1 3.41Å; I731-H760 WeakPolarHBondContact CG2-CE1 3.5Å; I731-V765 HydrophobicContact CD1-CG1 4.33Å; I731-V765 HydrophobicContact CG1-CG1 3.83Å; I731-V765 HydrophobicContact CG1-CG2 3.83Å
732L97.4Very high96.3Very high0 Ų031.1 Ų31.10%015%0.149CC..Hα-helixtrans-53.9-48.7175.5-66.8176.6000111.4L358 F365 F379 W383 C728 L729 E734 H735 R736 F753L358-L732 HydrophobicContact CD2-CD1 4.26Å; F365-L732 HydrophobicContact CE1-CB 4.23Å; F379-L732 HydrophobicContact CE2-CD2 3.81Å; W383-L732 HydrophobicContact CH2-CD2 4.04Å; W383-L732 HydrophobicContact CZ3-CD2 3.89Å; W383-L732 HydrophobicContact CZ3-CG 4.07Å; C728-L732 WeakPolarHBondContact O-CG 3.36Å; C728-L732 PolarHBondContact O-N 3.38Å; L729-L732 WeakPolarHBondContact O-CB 3.38Å; L729-L732 PolarHBondContact O-N 3.24Å; L729-L732 VanDerWaalsContact O-N 3.16Å; L732-E734 PolarHBondContact O-N 3.45Å; L732-H735 PolarHBondContact O-N 2.73Å; L732-H735 VanDerWaalsContact O-N 3.17Å; L732-R736 PolarHBondContact O-N 3.11Å; L732-F753 HydrophobicContact CD2-CE2 4.17Å; L732-F753 HydrophobicContact CD2-CZ 4.02Å
733L96.2Very high96.6Very high27 Ų2734.8 Ų34.814%0.14117%0.168CC..Hα-helixtrans-72.3-4.2177.5-60.4-178.4000114L358 D362 F365 L729 I731 R768 L772L358-L733 HydrophobicContact CD1-CD2 4.44Å; D362-L733 HydrophobicContact CB-CD2 3.82Å; D362-L733 WeakPolarHBondContact OD2-CD2 3.37Å; F365-L733 HydrophobicContact CD1-CD2 4.44Å; L729-L733 HydrophobicContact CD1-CD1 3.84Å; L729-L733 HydrophobicContact CD1-CD2 4.29Å; L729-L733 HydrophobicContact CD1-CG 3.83Å; L729-L733 HydrophobicContact CD2-CD1 4.12Å; L729-L733 HydrophobicContact CG-CD1 3.75Å; L729-L733 HydrophobicContact CG-CG 4.07Å; L729-L733 WeakPolarHBondContact O-CB 3.36Å; L729-L733 WeakPolarHBondContact O-CG 3.16Å; L729-L733 PolarHBondContact O-N 3.13Å; I731-L733 VanDerWaalsContact C-N 3.32Å; I731-L733 PolarHBondContact O-N 3.13Å; L733-R768 VanDerWaalsContact O-CZ 3.27Å; L733-R768 PolarHBondContact O-NH1 2.68Å; L733-R768 PolarHBondContact O-NH2 3.13Å; L733-L772 HydrophobicContact CD1-CD1 4.2Å
734E95.8Very high96.7Very high39 Ų3935.8 Ų35.818%0.18217%0.173CC..Hα-helixtrans-85.3-27.6169.5-164.9164.9155.200112S730 I731 L732 R764S730-E734 PolarHBondContact O-N 2.73Å; I731-E734 WeakPolarHBondContact O-CB 3.41Å; I731-E734 PolarHBondContact O-N 3.15Å; L732-E734 PolarHBondContact O-N 3.45Å; E734-R764 IonicContact OE1-CZ 3.19Å; E734-R764 VanDerWaalsContact OE1-CZ 3.24Å; E734-R764 IonicContact OE1-NH1 2.97Å; E734-R764 PolarHBondContact OE1-NH1 3.41Å; E734-R764 IonicContact OE1-NH2 2.68Å
735H95.8Very high96.7Very high25 Ų2538.4 Ų38.412%0.11619%0.187CC..Hα-helixtrans-111.7-11.6-176.4-61.9-72.5000114.4I731 L732 D737 H738 I739 H752 F753 L756 H760I731-H735 PolarHBondContact O-CD2 3.32Å; I731-H735 PolarHBondContact O-N 3.1Å; L732-H735 PolarHBondContact O-N 2.73Å; L732-H735 VanDerWaalsContact O-N 3.17Å; H735-D737 PolarHBondContact O-N 2.84Å; H735-H738 WeakPolarHBondContact O-CA 3.16Å; H735-H738 WeakPolarHBondContact O-CB 3.33Å; H735-H738 PolarHBondContact O-N 2.99Å; H735-I739 HydrophobicContact CB-CD1 4Å; H735-I739 HydrophobicContact CB-CG1 4.49Å; H735-I739 WeakPolarHBondContact O-CG1 3.36Å; H735-I739 PolarHBondContact O-N 3.5Å; H735-H752 AromaticContact CG-NE2 3.44Å; H735-H752 AromaticContact ND1-CE1 3.89Å; H735-H752 AromaticContact ND1-NE2 3.3Å; H735-H752 PolarHBondContact ND1-NE2 2.9Å; H735-F753 HydrophobicContact CB-CE1 4.05Å; H735-F753 HydrophobicContact CB-CZ 4.1Å; H735-F753 AromaticContact CD2-CE1 3.7Å; H735-L756 VanDerWaalsContact CE1-CD1 3.43Å; H735-L756 WeakPolarHBondContact CE1-CD1 3.49Å; H735-H760 AromaticContact CD2-CE1 3.91Å; H735-H760 AromaticContact NE2-CE1 3.47Å; H735-H760 PolarHBondContact NE2-CE1 3.37Å; H735-H760 AromaticContact NE2-ND1 3.66Å
736R96.2Very high96.6Very high39 Ų3941.2 Ų41.215%0.14720%0.198CC..Hα-helixtrans-27.3-68.1169.3179.9-148.8-164.5-90.8-6.2114.4D362 E364 F365 L732 H738 I739 M740D362-R736 IonicContact OD1-CZ 2.8Å; D362-R736 IonicContact OD1-NE 2.91Å; D362-R736 PolarHBondContact OD1-NE 3.02Å; D362-R736 IonicContact OD1-NH2 2.78Å; D362-R736 PolarHBondContact OD1-NH2 2.89Å; D362-R736 WeakPolarHBondContact OD2-CD 3.2Å; D362-R736 IonicContact OD2-CZ 2.95Å; D362-R736 IonicContact OD2-NE 2.99Å; D362-R736 PolarHBondContact OD2-NE 3.46Å; D362-R736 IonicContact OD2-NH2 2.72Å; D362-R736 PolarHBondContact OD2-NH2 2.98Å; E364-R736 IonicContact OE2-CZ 3.91Å; E364-R736 IonicContact OE2-NH1 3.02Å; E364-R736 IonicContact OE2-NH2 2.73Å; E364-R736 PolarHBondContact OE2-NH2 3.28Å; F365-R736 HydrophobicContact CB-CG 4Å; F365-R736 HydrophobicContact CD1-CB 4Å; F365-R736 HydrophobicContact CD1-CG 3.78Å; F365-R736 HydrophobicContact CD2-CG 4.17Å; F365-R736 HydrophobicContact CE1-CB 4.04Å; F365-R736 HydrophobicContact CE1-CG 4.29Å; F365-R736 HydrophobicContact CG-CB 4.38Å; F365-R736 HydrophobicContact CG-CG 3.73Å; F365-R736 HydrophobicContact CZ-CB 4.45Å; L732-R736 PolarHBondContact O-N 3.11Å; R736-H738 PolarHBondContact O-N 3.47Å; R736-I739 PolarHBondContact O-N 2.97Å; R736-I739 VanDerWaalsContact O-N 3.16Å; R736-M740 HydrophobicContact CG-SD 3.91Å; R736-M740 WeakPolarHBondContact O-CG 3.34Å; R736-M740 PolarHBondContact O-N 3.38Å
737D96.4Very high96.6Very high107 Ų10745.4 Ų45.457%0.57222%0.221SC*.Hα-helixtrans-68.2-25.2-172.4-62.7-35.2000112.5H735 K741H735-D737 PolarHBondContact O-N 2.84Å; D737-K741 WeakPolarHBondContact O-CB 3.36Å; D737-K741 PolarHBondContact O-N 3.31Å
738H96.4Very high96.5Very high87 Ų8749.7 Ų49.740%0.40324%0.241SC..Hα-helixtrans-72.2-47.1172.7-174.392.9000110.8H735 R736 N742 H752H735-H738 WeakPolarHBondContact O-CA 3.16Å; H735-H738 WeakPolarHBondContact O-CB 3.33Å; H735-H738 PolarHBondContact O-N 2.99Å; R736-H738 PolarHBondContact O-N 3.47Å; H738-N742 PolarHBondContact CD2-ND2 3.49Å; H738-N742 PolarHBondContact CE1-ND2 3.22Å; H738-N742 PolarHBondContact NE2-ND2 3.32Å; H738-N742 VanDerWaalsContact O-CB 3.27Å; H738-N742 WeakPolarHBondContact O-CB 3.48Å; H738-N742 VanDerWaalsContact O-CG 3.32Å; H738-N742 PolarHBondContact O-N 3.03Å; H738-N742 PolarHBondContact O-ND2 2.76Å; H738-H752 AromaticContact CD2-CE1 3.65Å; H738-H752 AromaticContact CD2-ND1 3.89Å; H738-H752 AromaticContact NE2-CE1 3.94Å; H738-H752 AromaticContact NE2-ND1 3.95Å
739I97.2Very high96.5Very high0 Ų049.7 Ų49.70%024%0.241CC..Hα-helixtrans-59.7-50.4178.1-71165.3000110.7F365 Y368 H735 R736 N743 M744 I749 F753F365-I739 HydrophobicContact CE2-CB 4.39Å; F365-I739 HydrophobicContact CE2-CG2 3.91Å; F365-I739 HydrophobicContact CZ-CD1 4.06Å; F365-I739 HydrophobicContact CZ-CG2 4.39Å; Y368-I739 HydrophobicContact CD1-CG2 4.42Å; Y368-I739 HydrophobicContact CE1-CG2 3.81Å; H735-I739 HydrophobicContact CB-CD1 4Å; H735-I739 HydrophobicContact CB-CG1 4.49Å; H735-I739 WeakPolarHBondContact O-CG1 3.36Å; H735-I739 PolarHBondContact O-N 3.5Å; R736-I739 PolarHBondContact O-N 2.97Å; R736-I739 VanDerWaalsContact O-N 3.16Å; I739-N743 PolarHBondContact O-N 3.24Å; I739-M744 HydrophobicContact CB-SD 4.42Å; I739-M744 HydrophobicContact CG1-SD 4Å; I739-M744 HydrophobicContact CG2-CB 4.36Å; I739-M744 PolarHBondContact O-N 3.46Å; I739-M744 VanDerWaalsContact O-N 3.08Å; I739-I749 HydrophobicContact CD1-CG1 4.46Å; I739-I749 HydrophobicContact CD1-CG2 4.41Å; I739-I749 HydrophobicContact CG1-CG1 4.34Å; I739-I749 HydrophobicContact CG2-CD1 3.74Å; I739-I749 HydrophobicContact CG2-CG1 3.71Å; I739-F753 HydrophobicContact CD1-CE2 3.92Å; I739-F753 HydrophobicContact CD1-CZ 3.9Å
740M96.8Very high96.3Very high37 Ų3750.6 Ų50.618%0.18225%0.248CC..Hα-helixtrans-69.4-42.7-178.9-67.7176.868.300112.4E364 F365 Y368 R736 N743E364-M740 HydrophobicContact CG-CE 3.93Å; F365-M740 HydrophobicContact CB-SD 4.04Å; F365-M740 HydrophobicContact CD2-CG 3.87Å; F365-M740 HydrophobicContact CD2-SD 3.72Å; F365-M740 HydrophobicContact CE2-CG 4.26Å; F365-M740 HydrophobicContact CG-SD 4.18Å; Y368-M740 HydrophobicContact CD1-CG 3.96Å; Y368-M740 HydrophobicContact CD2-CG 4.07Å; Y368-M740 HydrophobicContact CE1-CG 4.42Å; Y368-M740 HydrophobicContact CG-CG 3.81Å; R736-M740 HydrophobicContact CG-SD 3.91Å; R736-M740 WeakPolarHBondContact O-CG 3.34Å; R736-M740 PolarHBondContact O-N 3.38Å; M740-N743 PolarHBondContact O-N 3.08Å; M740-N743 VanDerWaalsContact O-N 3.14Å
741K96.9Very high96.2Very high183 Ų18354.6 Ų54.680%0.79627%0.268SS*.Hα-helixtrans-67.4-36.7179.8-179.1179.5176.4-178.40113D737 N743D737-K741 WeakPolarHBondContact O-CB 3.36Å; D737-K741 PolarHBondContact O-N 3.31Å; K741-N743 VanDerWaalsContact C-N 3.26Å
742N96.8Very high96.2Very high87 Ų8755.6 Ų55.647%0.46527%0.273SS..Hα-helixtrans-83.2-6.4175.2-64.5-16000112.3H738 M744H738-N742 PolarHBondContact CD2-ND2 3.49Å; H738-N742 PolarHBondContact CE1-ND2 3.22Å; H738-N742 PolarHBondContact NE2-ND2 3.32Å; H738-N742 VanDerWaalsContact O-CB 3.27Å; H738-N742 WeakPolarHBondContact O-CB 3.48Å; H738-N742 VanDerWaalsContact O-CG 3.32Å; H738-N742 PolarHBondContact O-N 3.03Å; H738-N742 PolarHBondContact O-ND2 2.76Å; N742-M744 VanDerWaalsContact C-N 3.3Å; N742-M744 HydrophobicContact CB-CE 4.4Å; N742-M744 HydrophobicContact CB-CG 4.07Å; N742-M744 PolarHBondContact O-N 3Å
743N95.7Very high96.1Very high87 Ų8755.7 Ų55.747%0.46527%0.273SS..THydrogen-bonded Turntrans56.740.8178.8-171.179.6000113Y368 R372 I739 M740 K741Y368-N743 VanDerWaalsContact OH-CA 3.28Å; Y368-N743 WeakPolarHBondContact OH-CA 3.49Å; Y368-N743 PolarHBondContact OH-O 3.29Å; R372-N743 VanDerWaalsContact NH2-CG 3.31Å; R372-N743 PolarHBondContact NH2-ND2 3.49Å; R372-N743 VanDerWaalsContact NH2-ND2 3.15Å; R372-N743 PolarHBondContact NH2-OD1 2.98Å; I739-N743 PolarHBondContact O-N 3.24Å; M740-N743 PolarHBondContact O-N 3.08Å; M740-N743 VanDerWaalsContact O-N 3.14Å; K741-N743 VanDerWaalsContact C-N 3.26Å
744M96.7Very high96Very high22 Ų2257.5 Ų57.511%0.10828%0.283CS..  trans-63.8139.7-175.5-70.5171.6158.400113.3Y368 R372 I739 N742 E748 I749 H752Y368-M744 PolarHBondContact OH-N 3.19Å; Y368-M744 VanDerWaalsContact OH-N 3.13Å; Y368-M744 PolarHBondContact OH-O 3.03Å; R372-M744 WeakPolarHBondContact CD-O 3.35Å; I739-M744 HydrophobicContact CB-SD 4.42Å; I739-M744 HydrophobicContact CG1-SD 4Å; I739-M744 HydrophobicContact CG2-CB 4.36Å; I739-M744 PolarHBondContact O-N 3.46Å; I739-M744 VanDerWaalsContact O-N 3.08Å; N742-M744 VanDerWaalsContact C-N 3.3Å; N742-M744 HydrophobicContact CB-CE 4.4Å; N742-M744 HydrophobicContact CB-CG 4.07Å; N742-M744 PolarHBondContact O-N 3Å; M744-E748 VanDerWaalsContact CA-OE2 3.31Å; M744-E748 WeakPolarHBondContact CA-OE2 3.48Å; M744-E748 HydrophobicContact CB-CB 3.78Å; M744-E748 HydrophobicContact CG-CB 3.99Å; M744-I749 HydrophobicContact CB-CG1 3.91Å; M744-H752 HydrophobicContact CE-CB 4.3Å; M744-H752 HydrophobicContact SD-CB 4.32Å
745D94.6Very high96Very high62 Ų6262.8 Ų62.833%0.33230%0.301SS..  trans-80.3178.4169.394.7-6.4000113.6N747 E748 I749D745-N747 VanDerWaalsContact C-N 3.32Å; D745-N747 PolarHBondContact O-N 2.83Å; D745-N747 WeakPolarHBondContact OD1-CA 3.41Å; D745-N747 WeakPolarHBondContact OD1-CB 3.48Å; D745-N747 PolarHBondContact OD1-N 3.07Å; D745-N747 PolarHBondContact OD1-ND2 2.99Å; D745-N747 PolarHBondContact OD2-ND2 3.42Å; D745-N747 VanDerWaalsContact OD2-ND2 3.09Å; D745-E748 PolarHBondContact N-OE2 3.32Å; D745-E748 PolarHBondContact O-N 3.28Å; D745-E748 PolarHBondContact OD1-N 3.14Å; D745-I749 WeakPolarHBondContact O-CB 3.33Å; D745-I749 WeakPolarHBondContact O-CD1 3.49Å; D745-I749 WeakPolarHBondContact O-CG1 3.37Å; D745-I749 PolarHBondContact O-N 3.26Å
746Y95.4Very high95.9Very high60 Ų6063.3 Ų63.324%0.23530%0.304CS..Hα-helixtrans-53.4-45.2178.4176.5-92000113.5A374 D376 F379 I749 A750A374-Y746 HydrophobicContact CB-CD2 3.82Å; D376-Y746 WeakPolarHBondContact OD1-CE2 3.21Å; F379-Y746 HydrophobicContact CD1-CD2 4.31Å; F379-Y746 AromaticContact CD1-CE2 3.84Å; F379-Y746 HydrophobicContact CD1-CE2 3.84Å; F379-Y746 HydrophobicContact CE1-CE2 4.4Å; Y746-I749 PolarHBondContact O-N 2.66Å; Y746-A750 PolarHBondContact O-N 3.1Å
747N95.6Very high95.8Very high92 Ų9263.1 Ų63.149%0.49231%0.308SS..Hα-helixtrans-72.1-38.7-176.6-47.1-74.9000110.4D745 A750 M751D745-N747 VanDerWaalsContact C-N 3.32Å; D745-N747 PolarHBondContact O-N 2.83Å; D745-N747 WeakPolarHBondContact OD1-CA 3.41Å; D745-N747 WeakPolarHBondContact OD1-CB 3.48Å; D745-N747 PolarHBondContact OD1-N 3.07Å; D745-N747 PolarHBondContact OD1-ND2 2.99Å; D745-N747 PolarHBondContact OD2-ND2 3.42Å; D745-N747 VanDerWaalsContact OD2-ND2 3.09Å; N747-A750 PolarHBondContact O-N 3.11Å; N747-M751 HydrophobicContact CB-CE 4.37Å; N747-M751 WeakPolarHBondContact O-CB 3.46Å; N747-M751 WeakPolarHBondContact O-CE 3.33Å; N747-M751 WeakPolarHBondContact O-CG 3.43Å; N747-M751 PolarHBondContact O-N 3.15Å
748E97.1Very high95.7Very high89 Ų8961.8 Ų61.842%0.41630%0.295SS..Hα-helixtrans-65.5-38.2174.2-67.1-179.4121.300112.2M744 D745 M751 H752M744-E748 VanDerWaalsContact CA-OE2 3.31Å; M744-E748 WeakPolarHBondContact CA-OE2 3.48Å; M744-E748 HydrophobicContact CB-CB 3.78Å; M744-E748 HydrophobicContact CG-CB 3.99Å; D745-E748 PolarHBondContact N-OE2 3.32Å; D745-E748 PolarHBondContact O-N 3.28Å; D745-E748 PolarHBondContact OD1-N 3.14Å; E748-M751 HydrophobicContact CG-CE 4.33Å; E748-H752 WeakPolarHBondContact O-CB 3.36Å; E748-H752 PolarHBondContact O-N 3.35Å
749I96.5Very high95.6Very high1 Ų164.6 Ų64.61%0.00530%0.302CS..Hα-helixtrans-64.9-46.7173.5-69.7163.6000110.9L369 A374 F379 I739 M744 D745 Y746 H752 F753L369-I749 HydrophobicContact CD2-CD1 3.67Å; A374-I749 HydrophobicContact CB-CD1 4.32Å; F379-I749 HydrophobicContact CD1-CG2 4.09Å; F379-I749 HydrophobicContact CD2-CG2 4.02Å; F379-I749 HydrophobicContact CE1-CG2 3.88Å; F379-I749 HydrophobicContact CE2-CG2 3.79Å; F379-I749 HydrophobicContact CG-CG2 4.16Å; F379-I749 HydrophobicContact CZ-CG2 3.72Å; I739-I749 HydrophobicContact CD1-CG1 4.46Å; I739-I749 HydrophobicContact CD1-CG2 4.41Å; I739-I749 HydrophobicContact CG1-CG1 4.34Å; I739-I749 HydrophobicContact CG2-CD1 3.74Å; I739-I749 HydrophobicContact CG2-CG1 3.71Å; M744-I749 HydrophobicContact CB-CG1 3.91Å; D745-I749 WeakPolarHBondContact O-CB 3.33Å; D745-I749 WeakPolarHBondContact O-CD1 3.49Å; D745-I749 WeakPolarHBondContact O-CG1 3.37Å; D745-I749 PolarHBondContact O-N 3.26Å; Y746-I749 PolarHBondContact O-N 2.66Å; I749-H752 WeakPolarHBondContact O-CB 3.43Å; I749-H752 PolarHBondContact O-N 2.83Å; I749-F753 HydrophobicContact CG2-CD2 3.87Å; I749-F753 HydrophobicContact CG2-CE2 3.74Å; I749-F753 VanDerWaalsContact O-CD2 3.27Å; I749-F753 WeakPolarHBondContact O-CD2 3.24Å; I749-F753 PolarHBondContact O-N 2.87Å; I749-F753 VanDerWaalsContact O-N 3.07Å
750A94.5Very high95.4Very high19 Ų1965 Ų6516%0.15730%0.304CS..Hα-helixtrans-59.9-54.7176.400000111.3F379 Y746 N747 H752 F753 D754F379-A750 HydrophobicContact CB-CB 4.06Å; Y746-A750 PolarHBondContact O-N 3.1Å; N747-A750 PolarHBondContact O-N 3.11Å; A750-H752 PolarHBondContact O-N 2.72Å; A750-F753 PolarHBondContact O-N 2.98Å; A750-F753 VanDerWaalsContact O-N 3.1Å; A750-D754 PolarHBondContact O-N 3.22Å
751M95.3Very high95.3Very high84 Ų8466.9 Ų66.941%0.41431%0.314SS..Hα-helixtrans-57.3-33.5175.8-76.3-171.3-76.600113.2N747 E748 R755N747-M751 HydrophobicContact CB-CE 4.37Å; N747-M751 WeakPolarHBondContact O-CB 3.46Å; N747-M751 WeakPolarHBondContact O-CE 3.33Å; N747-M751 WeakPolarHBondContact O-CG 3.43Å; N747-M751 PolarHBondContact O-N 3.15Å; E748-M751 HydrophobicContact CG-CE 4.33Å; M751-R755 WeakPolarHBondContact O-CB 3.39Å; M751-R755 VanDerWaalsContact O-CD 3.24Å; M751-R755 WeakPolarHBondContact O-CD 3.42Å; M751-R755 WeakPolarHBondContact O-CG 3.48Å; M751-R755 PolarHBondContact O-N 3.14Å; M751-R755 VanDerWaalsContact O-N 3.13Å; M751-R755 PolarHBondContact SD-NH2 2.93Å; M751-R755 VanDerWaalsContact SD-NH2 3.43Å
752H96.5Very high95.2Very high21 Ų2158.3 Ų58.310%0.09728%0.277CS..Hα-helixtrans-65.9-46.7176172.379.5000111.5H735 H738 M744 E748 I749 A750 R755 L756H735-H752 AromaticContact CG-NE2 3.44Å; H735-H752 AromaticContact ND1-CE1 3.89Å; H735-H752 AromaticContact ND1-NE2 3.3Å; H735-H752 PolarHBondContact ND1-NE2 2.9Å; H738-H752 AromaticContact CD2-CE1 3.65Å; H738-H752 AromaticContact CD2-ND1 3.89Å; H738-H752 AromaticContact NE2-CE1 3.94Å; H738-H752 AromaticContact NE2-ND1 3.95Å; M744-H752 HydrophobicContact CE-CB 4.3Å; M744-H752 HydrophobicContact SD-CB 4.32Å; E748-H752 WeakPolarHBondContact O-CB 3.36Å; E748-H752 PolarHBondContact O-N 3.35Å; I749-H752 WeakPolarHBondContact O-CB 3.43Å; I749-H752 PolarHBondContact O-N 2.83Å; A750-H752 PolarHBondContact O-N 2.72Å; H752-R755 PolarHBondContact O-N 2.84Å; H752-L756 WeakPolarHBondContact NE2-CD1 3.37Å; H752-L756 WeakPolarHBondContact O-CG 3.42Å; H752-L756 PolarHBondContact O-N 3.43Å
753F96.3Very high95Very high2 Ų256.5 Ų56.51%0.00927%0.271CS..Hα-helixtrans-70-34.9176.7-74.4-60.6000113F379 W383 I731 L732 H735 I739 I749 A750 R755 L756 V757F379-F753 AromaticContact CD2-CD2 3.71Å; F379-F753 HydrophobicContact CD2-CD2 3.71Å; F379-F753 AromaticContact CD2-CE2 3.94Å; F379-F753 HydrophobicContact CD2-CE2 3.94Å; F379-F753 HydrophobicContact CE2-CD2 4.02Å; F379-F753 AromaticContact CE2-CE2 3.74Å; F379-F753 HydrophobicContact CE2-CE2 3.74Å; W383-F753 AromaticContact CH2-CD1 3.75Å; W383-F753 HydrophobicContact CH2-CD1 3.75Å; W383-F753 HydrophobicContact CH2-CD2 4.27Å; W383-F753 AromaticContact CH2-CE1 3.72Å; W383-F753 HydrophobicContact CH2-CE1 3.72Å; W383-F753 HydrophobicContact CH2-CE2 4.24Å; W383-F753 HydrophobicContact CH2-CG 4.05Å; W383-F753 AromaticContact CH2-CZ 3.98Å; W383-F753 HydrophobicContact CH2-CZ 3.98Å; W383-F753 HydrophobicContact CZ2-CB 4.06Å; W383-F753 AromaticContact CZ2-CD1 3.58Å; W383-F753 HydrophobicContact CZ2-CD1 3.58Å; W383-F753 HydrophobicContact CZ2-CD2 4.29Å; W383-F753 HydrophobicContact CZ2-CE1 4.05Å; W383-F753 AromaticContact CZ2-CG 3.72Å; W383-F753 HydrophobicContact CZ2-CG 3.72Å; I731-F753 HydrophobicContact CG2-CD1 4.35Å; I731-F753 HydrophobicContact CG2-CE1 3.88Å; L732-F753 HydrophobicContact CD2-CE2 4.17Å; L732-F753 HydrophobicContact CD2-CZ 4.02Å; H735-F753 HydrophobicContact CB-CE1 4.05Å; H735-F753 HydrophobicContact CB-CZ 4.1Å; H735-F753 AromaticContact CD2-CE1 3.7Å; I739-F753 HydrophobicContact CD1-CE2 3.92Å; I739-F753 HydrophobicContact CD1-CZ 3.9Å; I749-F753 HydrophobicContact CG2-CD2 3.87Å; I749-F753 HydrophobicContact CG2-CE2 3.74Å; I749-F753 VanDerWaalsContact O-CD2 3.27Å; I749-F753 WeakPolarHBondContact O-CD2 3.24Å; I749-F753 PolarHBondContact O-N 2.87Å; I749-F753 VanDerWaalsContact O-N 3.07Å; A750-F753 PolarHBondContact O-N 2.98Å; A750-F753 VanDerWaalsContact O-N 3.1Å; F753-R755 VanDerWaalsContact C-N 3.32Å; F753-R755 PolarHBondContact O-N 3.46Å; F753-L756 HydrophobicContact CD1-CD1 4.33Å; F753-L756 CarbonylContact O-C 3.54Å; F753-L756 WeakPolarHBondContact O-CA 3.37Å; F753-L756 WeakPolarHBondContact O-CB 3.15Å; F753-L756 PolarHBondContact O-N 3.35Å; F753-V757 PolarHBondContact O-N 2.96Å
754D93.7Very high94.8Very high64 Ų6458.6 Ų58.634%0.34227%0.273SS..Hα-helixtrans-68.2-30.6175.9-71.5-36.7000113.2R382 A750 L756 V757R382-D754 IonicContact CZ-OD1 2.72Å; R382-D754 VanDerWaalsContact CZ-OD1 3.26Å; R382-D754 IonicContact NH1-OD1 3.58Å; R382-D754 PolarHBondContact NH1-OD1 3.22Å; R382-D754 IonicContact NH2-OD1 3.96Å; R382-D754 PolarHBondContact NH2-OD1 2.95Å; A750-D754 PolarHBondContact O-N 3.22Å; D754-L756 PolarHBondContact O-N 2.94Å; D754-V757 WeakPolarHBondContact O-CB 3.47Å; D754-V757 WeakPolarHBondContact O-CG2 3.28Å; D754-V757 PolarHBondContact O-N 3.34Å
755R95.5Very high94.8Very high150 Ų15057.5 Ų57.557%0.56627%0.267SS*.THydrogen-bonded Turntrans-69.4-11168.9-70164.3-170.1147.36.1113.4M751 H752 F753 R759M751-R755 WeakPolarHBondContact O-CB 3.39Å; M751-R755 VanDerWaalsContact O-CD 3.24Å; M751-R755 WeakPolarHBondContact O-CD 3.42Å; M751-R755 WeakPolarHBondContact O-CG 3.48Å; M751-R755 PolarHBondContact O-N 3.14Å; M751-R755 VanDerWaalsContact O-N 3.13Å; M751-R755 PolarHBondContact SD-NH2 2.93Å; M751-R755 VanDerWaalsContact SD-NH2 3.43Å; H752-R755 PolarHBondContact O-N 2.84Å; F753-R755 VanDerWaalsContact C-N 3.32Å; F753-R755 PolarHBondContact O-N 3.46Å; R755-R759 WeakPolarHBondContact O-CD 3.45Å; R755-R759 PolarHBondContact O-NH1 3.27Å
756L94.3Very high94.7Very high36 Ų3654.6 Ų54.619%0.18825%0.252CS..THydrogen-bonded Turntrans-104.51.8178.3-65.2169.3000113.7H735 H752 F753 D754 R758 R759 H760H735-L756 VanDerWaalsContact CE1-CD1 3.43Å; H735-L756 WeakPolarHBondContact CE1-CD1 3.49Å; H752-L756 WeakPolarHBondContact NE2-CD1 3.37Å; H752-L756 WeakPolarHBondContact O-CG 3.42Å; H752-L756 PolarHBondContact O-N 3.43Å; F753-L756 HydrophobicContact CD1-CD1 4.33Å; F753-L756 CarbonylContact O-C 3.54Å; F753-L756 WeakPolarHBondContact O-CA 3.37Å; F753-L756 WeakPolarHBondContact O-CB 3.15Å; F753-L756 PolarHBondContact O-N 3.35Å; D754-L756 PolarHBondContact O-N 2.94Å; L756-R758 PolarHBondContact O-N 3.38Å; L756-R759 WeakPolarHBondContact O-CA 3.48Å; L756-R759 WeakPolarHBondContact O-CB 3.43Å; L756-R759 PolarHBondContact O-N 3.39Å; L756-H760 WeakPolarHBondContact CB-NE2 3.36Å; L756-H760 PolarHBondContact O-CD2 3.26Å
757V93.9Very high94.5Very high36 Ų3656.2 Ų56.222%0.21826%0.261CS..THydrogen-bonded Turntrans-46.8129.7168.2163.70000110.7F753 D754 R759F753-V757 PolarHBondContact O-N 2.96Å; D754-V757 WeakPolarHBondContact O-CB 3.47Å; D754-V757 WeakPolarHBondContact O-CG2 3.28Å; D754-V757 PolarHBondContact O-N 3.34Å; V757-R759 PolarHBondContact O-N 2.84Å; V757-R759 VanDerWaalsContact O-N 3.14Å
758R94.2Very high94.5Very high79 Ų7955.7 Ų55.730%0.29825%0.253SS..THydrogen-bonded Turntrans56.512.9-173.9-57.5175.9171.1143.7-8.4116.4D270 R390 E391 A393 L756D270-R758 IonicContact OD1-CZ 2.67Å; D270-R758 IonicContact OD1-NH2 3.16Å; D270-R758 PolarHBondContact OD1-NH2 3.21Å; R390-R758 WeakPolarHBondContact O-CG 3.47Å; R390-R758 PolarHBondContact O-N 2.91Å; E391-R758 CarbonylContact O-C 3.57Å; E391-R758 VanDerWaalsContact O-CA 3.3Å; E391-R758 WeakPolarHBondContact O-CA 3.17Å; E391-R758 PolarHBondContact O-N 2.95Å; A393-R758 PolarHBondContact N-O 3.05Å; L756-R758 PolarHBondContact O-N 3.38Å
759R93.9Very high94.4Very high146 Ų14651.5 Ų51.555%0.55123%0.233SC*.THydrogen-bonded Turntrans-117.3-2.1-174-67.2166.4173.5165.6-0.3114.6E391 R755 L756 V757E391-R759 PolarHBondContact O-N 2.94Å; R755-R759 WeakPolarHBondContact O-CD 3.45Å; R755-R759 PolarHBondContact O-NH1 3.27Å; L756-R759 WeakPolarHBondContact O-CA 3.48Å; L756-R759 WeakPolarHBondContact O-CB 3.43Å; L756-R759 PolarHBondContact O-N 3.39Å; V757-R759 PolarHBondContact O-N 2.84Å; V757-R759 VanDerWaalsContact O-N 3.14Å
760H94.4Very high94.2Very high8 Ų852.9 Ų52.94%0.03724%0.239CC..SBendtrans-69.5141.9177.3-72.7-80.3000112.3E391 F392 I731 H735 L756 L762E391-H760 PolarHBondContact O-N 3.36Å; F392-H760 HydrophobicContact CD1-CB 4.07Å; F392-H760 WeakPolarHBondContact CD1-O 3.35Å; F392-H760 HydrophobicContact CE1-CB 3.7Å; F392-H760 HydrophobicContact CZ-CB 4.32Å; I731-H760 VanDerWaalsContact CG2-CE1 3.41Å; I731-H760 WeakPolarHBondContact CG2-CE1 3.5Å; H735-H760 AromaticContact CD2-CE1 3.91Å; H735-H760 AromaticContact NE2-CE1 3.47Å; H735-H760 PolarHBondContact NE2-CE1 3.37Å; H735-H760 AromaticContact NE2-ND1 3.66Å; L756-H760 WeakPolarHBondContact CB-NE2 3.36Å; L756-H760 PolarHBondContact O-CD2 3.26Å; H760-L762 PolarHBondContact O-N 3.19Å
761N94Very high94Very high77 Ų7754.3 Ų54.341%0.41225%0.251SS..  trans-81102-179.2-173.1-72.8000110.8S763 R764 V765N761-S763 VanDerWaalsContact C-N 3.26Å; N761-S763 PolarHBondContact O-N 3.47Å; N761-S763 PolarHBondContact OD1-N 2.91Å; N761-R764 HydrophobicContact CB-CB 4.27Å; N761-R764 HydrophobicContact CB-CG 4.42Å; N761-R764 PolarHBondContact O-N 3.05Å; N761-R764 WeakPolarHBondContact OD1-CG 3.44Å; N761-R764 PolarHBondContact OD1-N 2.84Å; N761-V765 WeakPolarHBondContact O-CG2 3.49Å; N761-V765 PolarHBondContact O-N 2.98Å
762L94.4Very high93.9Very high2 Ų252.1 Ų52.11%0.0124%0.24CC..Hα-helixtrans-49.9-45.1-178.5179.570.1000112.8F392 D396 R399 M400 H760 V765 L766F392-L762 HydrophobicContact CD1-CB 4.07Å; F392-L762 HydrophobicContact CD1-CD1 4.21Å; F392-L762 HydrophobicContact CE1-CB 4.17Å; F392-L762 HydrophobicContact CE1-CD1 4.13Å; F392-L762 HydrophobicContact CZ-CD1 4.38Å; D396-L762 HydrophobicContact CB-CB 4.04Å; D396-L762 HydrophobicContact CB-CD2 3.93Å; D396-L762 HydrophobicContact CB-CG 4.46Å; D396-L762 WeakPolarHBondContact O-CD2 3.48Å; D396-L762 VanDerWaalsContact OD1-CD2 3.26Å; D396-L762 WeakPolarHBondContact OD1-CD2 3.45Å; R399-L762 HydrophobicContact CB-CD2 3.93Å; R399-L762 HydrophobicContact CG-CD2 4.11Å; M400-L762 HydrophobicContact CB-CD1 3.68Å; M400-L762 HydrophobicContact CG-CD1 3.66Å; H760-L762 PolarHBondContact O-N 3.19Å; L762-V765 PolarHBondContact O-N 2.98Å; L762-L766 HydrophobicContact CD1-CD1 3.81Å; L762-L766 HydrophobicContact CD1-CG 3.94Å; L762-L766 HydrophobicContact CD2-CD1 4.26Å; L762-L766 HydrophobicContact CG-CD1 3.81Å; L762-L766 HydrophobicContact CG-CG 4.26Å; L762-L766 VanDerWaalsContact O-CB 3.24Å; L762-L766 WeakPolarHBondContact O-CB 3.44Å; L762-L766 WeakPolarHBondContact O-CG 3.4Å; L762-L766 PolarHBondContact O-N 2.87Å
763S91.8Very high93.6Very high49 Ų4952 Ų5234%0.34324%0.24SC..Hα-helixtrans-64-43.3-175.9-67.40000112.5F169 N761 Q767F169-S763 WeakPolarHBondContact CZ-O 3.37Å; N761-S763 VanDerWaalsContact C-N 3.26Å; N761-S763 PolarHBondContact O-N 3.47Å; N761-S763 PolarHBondContact OD1-N 2.91Å; S763-Q767 VanDerWaalsContact O-CB 3.28Å; S763-Q767 WeakPolarHBondContact O-CB 3.36Å; S763-Q767 PolarHBondContact O-N 3.5Å
764R92.8Very high93.2Very high131 Ų13152.4 Ų52.449%0.49424%0.244SC..Hα-helixtrans-69-44.8177.6-70.2178.567.6-142.1-10.7111.8E734 N761 Q767 R768E734-R764 IonicContact OE1-CZ 3.19Å; E734-R764 VanDerWaalsContact OE1-CZ 3.24Å; E734-R764 IonicContact OE1-NH1 2.97Å; E734-R764 PolarHBondContact OE1-NH1 3.41Å; E734-R764 IonicContact OE1-NH2 2.68Å; N761-R764 HydrophobicContact CB-CB 4.27Å; N761-R764 HydrophobicContact CB-CG 4.42Å; N761-R764 PolarHBondContact O-N 3.05Å; N761-R764 WeakPolarHBondContact OD1-CG 3.44Å; N761-R764 PolarHBondContact OD1-N 2.84Å; R764-Q767 PolarHBondContact O-N 2.82Å; R764-R768 PolarHBondContact O-N 3.21Å
765V95.4Very high92.8Very high0 Ų053.7 Ų53.70%025%0.25CS..Hα-helixtrans-63-46.8178.3177.30000110.9F392 L727 S730 I731 N761 L762 Q767 A769F392-V765 HydrophobicContact CE1-CB 4.43Å; F392-V765 HydrophobicContact CE1-CG2 4.36Å; F392-V765 HydrophobicContact CZ-CB 4.2Å; F392-V765 HydrophobicContact CZ-CG1 4.08Å; F392-V765 HydrophobicContact CZ-CG2 4.33Å; L727-V765 HydrophobicContact CD2-CG1 4.24Å; S730-V765 WeakPolarHBondContact OG-CA 3.41Å; S730-V765 PolarHBondContact OG-O 2.93Å; I731-V765 HydrophobicContact CD1-CG1 4.33Å; I731-V765 HydrophobicContact CG1-CG1 3.83Å; I731-V765 HydrophobicContact CG1-CG2 3.83Å; N761-V765 WeakPolarHBondContact O-CG2 3.49Å; N761-V765 PolarHBondContact O-N 2.98Å; L762-V765 PolarHBondContact O-N 2.98Å; V765-Q767 PolarHBondContact O-N 3.15Å; V765-A769 WeakPolarHBondContact O-CB 3.4Å; V765-A769 PolarHBondContact O-N 3.32Å
766L93.7Very high92.4Very high1 Ų146.8 Ų46.81%0.00523%0.225CC..Hα-helixtrans-61.4-42.9176-84.3179.7000112.6F169 M400 V403 F723 L727 L762 K770F169-L766 HydrophobicContact CE1-CB 4.02Å; F169-L766 HydrophobicContact CE1-CD1 3.91Å; F169-L766 HydrophobicContact CZ-CB 3.88Å; F169-L766 HydrophobicContact CZ-CD1 4.37Å; M400-L766 HydrophobicContact CE-CD2 3.42Å; M400-L766 VanDerWaalsContact CE-CD2 3.42Å; M400-L766 HydrophobicContact CE-CG 4.27Å; V403-L766 HydrophobicContact CB-CD2 4.06Å; V403-L766 HydrophobicContact CG1-CD2 3.7Å; V403-L766 HydrophobicContact CG2-CD1 4.23Å; V403-L766 HydrophobicContact CG2-CD2 4.35Å; F723-L766 HydrophobicContact CZ-CD2 4.39Å; L727-L766 HydrophobicContact CD2-CD2 4.21Å; L762-L766 HydrophobicContact CD1-CD1 3.81Å; L762-L766 HydrophobicContact CD1-CG 3.94Å; L762-L766 HydrophobicContact CD2-CD1 4.26Å; L762-L766 HydrophobicContact CG-CD1 3.81Å; L762-L766 HydrophobicContact CG-CG 4.26Å; L762-L766 VanDerWaalsContact O-CB 3.24Å; L762-L766 WeakPolarHBondContact O-CB 3.44Å; L762-L766 WeakPolarHBondContact O-CG 3.4Å; L762-L766 PolarHBondContact O-N 2.87Å; L766-K770 VanDerWaalsContact O-CB 3.22Å; L766-K770 WeakPolarHBondContact O-CB 3.48Å; L766-K770 WeakPolarHBondContact O-CD 3.26Å; L766-K770 WeakPolarHBondContact O-CG 3.43Å; L766-K770 PolarHBondContact O-N 3.29Å
767Q91.6Very high92Very high93 Ų9345.9 Ų45.944%0.43522%0.22SC..Hα-helixtrans-63.9-47.4-178.4-177.2-179.6-5.700111.5S763 R764 V765 A771S763-Q767 VanDerWaalsContact O-CB 3.28Å; S763-Q767 WeakPolarHBondContact O-CB 3.36Å; S763-Q767 PolarHBondContact O-N 3.5Å; R764-Q767 PolarHBondContact O-N 2.82Å; V765-Q767 PolarHBondContact O-N 3.15Å; Q767-A771 PolarHBondContact O-N 2.85Å; Q767-A771 VanDerWaalsContact O-N 3.13Å
768R94.3Very high91.2Very high82 Ų8250 Ų5031%0.30924%0.237SC..Hα-helixtrans-68.9-44.9178.8173.7-170-75.1160.2-20.7111.8S730 L733 R764 K770 A771 L772S730-R768 PolarHBondContact O-NH1 3.02Å; S730-R768 WeakPolarHBondContact OG-CB 3.49Å; S730-R768 WeakPolarHBondContact OG-CD 3.41Å; L733-R768 VanDerWaalsContact O-CZ 3.27Å; L733-R768 PolarHBondContact O-NH1 2.68Å; L733-R768 PolarHBondContact O-NH2 3.13Å; R764-R768 PolarHBondContact O-N 3.21Å; R768-K770 VanDerWaalsContact C-N 3.27Å; R768-K770 PolarHBondContact O-N 3.37Å; R768-A771 PolarHBondContact O-N 3.11Å; R768-L772 HydrophobicContact CG-CD1 3.7Å; R768-L772 HydrophobicContact CG-CG 4.2Å; R768-L772 WeakPolarHBondContact O-CG 3.49Å; R768-L772 PolarHBondContact O-N 3.15Å
769A95.6Very high90Very high0 Ų049.1 Ų49.10%024%0.243CC..Hα-helixtrans-59.4-38.9177.200000112.1F723 F726 L727 V765 F773F723-A769 HydrophobicContact CE2-CB 4.1Å; F723-A769 HydrophobicContact CZ-CB 4.32Å; F726-A769 HydrophobicContact CB-CB 4.47Å; L727-A769 HydrophobicContact CD2-CB 3.63Å; L727-A769 HydrophobicContact CG-CB 4.12Å; V765-A769 WeakPolarHBondContact O-CB 3.4Å; V765-A769 PolarHBondContact O-N 3.32Å; A769-F773 WeakPolarHBondContact O-CB 3.41Å; A769-F773 PolarHBondContact O-N 2.97Å
770K92.2Very high88.4Confident30 Ų3043.5 Ų43.513%0.1322%0.223CC..Hα-helixtrans-64.9-39.7174.9-78.7168.5172.61690113.2Y199 F723 L766 R768 A774Y199-K770 HydrophobicContact CE1-CG 4.21Å; Y199-K770 HydrophobicContact CE2-CG 4.47Å; Y199-K770 WeakPolarHBondContact O-CE 3.4Å; Y199-K770 PolarHBondContact O-NZ 3.49Å; Y199-K770 WeakPolarHBondContact OH-CG 3.41Å; F723-K770 HydrophobicContact CE2-CG 4.26Å; F723-K770 HydrophobicContact CZ-CG 4.32Å; L766-K770 VanDerWaalsContact O-CB 3.22Å; L766-K770 WeakPolarHBondContact O-CB 3.48Å; L766-K770 WeakPolarHBondContact O-CD 3.26Å; L766-K770 WeakPolarHBondContact O-CG 3.43Å; L766-K770 PolarHBondContact O-N 3.29Å; R768-K770 VanDerWaalsContact C-N 3.27Å; R768-K770 PolarHBondContact O-N 3.37Å; K770-A774 VanDerWaalsContact O-CB 3.28Å; K770-A774 WeakPolarHBondContact O-CB 3.44Å; K770-A774 PolarHBondContact O-N 3.49Å
771A91.2Very high86.4Confident49 Ų4948.6 Ų48.641%0.40525%0.254SS..Hα-helixtrans-64.6-57.6175.400000110.7Q767 R768 F773 A774 D775Q767-A771 PolarHBondContact O-N 2.85Å; Q767-A771 VanDerWaalsContact O-N 3.13Å; R768-A771 PolarHBondContact O-N 3.11Å; A771-F773 VanDerWaalsContact C-N 3.26Å; A771-F773 PolarHBondContact O-N 2.94Å; A771-A774 CarbonylContact O-C 3.57Å; A771-A774 WeakPolarHBondContact O-CA 3.4Å; A771-A774 WeakPolarHBondContact O-CB 3.41Å; A771-A774 PolarHBondContact O-N 3.35Å; A771-D775 VanDerWaalsContact O-CG 3.24Å; A771-D775 PolarHBondContact O-N 2.96Å
772L91.7Very high84.5Confident38 Ų3849.9 Ų49.920%0.19925%0.253CS..Hα-helixtrans-57.3-37.1-178.9-65170.3000113.1F726 L729 L733 R768 Y776F726-L772 HydrophobicContact CD1-CB 3.6Å; F726-L772 HydrophobicContact CE1-CB 4.05Å; F726-L772 WeakPolarHBondContact CE1-O 3.49Å; L729-L772 HydrophobicContact CD2-CD1 3.81Å; L729-L772 HydrophobicContact CG-CD1 4.33Å; L733-L772 HydrophobicContact CD1-CD1 4.2Å; R768-L772 HydrophobicContact CG-CD1 3.7Å; R768-L772 HydrophobicContact CG-CG 4.2Å; R768-L772 WeakPolarHBondContact O-CG 3.49Å; R768-L772 PolarHBondContact O-N 3.15Å; L772-Y776 WeakPolarHBondContact O-CB 3.47Å; L772-Y776 PolarHBondContact O-N 3.34Å; L772-Y776 VanDerWaalsContact O-N 3.07Å
773F91Very high81.8Confident18 Ų1855.8 Ų55.88%0.07928%0.284CS..Hα-helixtrans-72.7-36.4175.8-175.7-124000112.8Y199 P722 F723 F726 A769 A771 Y776 L777Y199-F773 WeakPolarHBondContact OH-CD1 3.35Å; P722-F773 HydrophobicContact CB-CE2 4.03Å; P722-F773 HydrophobicContact CG-CE2 3.72Å; P722-F773 HydrophobicContact CG-CZ 4.09Å; F723-F773 HydrophobicContact CB-CE1 4.41Å; F723-F773 HydrophobicContact CB-CZ 4.46Å; F723-F773 HydrophobicContact CD2-CB 3.99Å; F723-F773 AromaticContact CD2-CD1 3.71Å; F723-F773 HydrophobicContact CD2-CD1 3.71Å; F723-F773 HydrophobicContact CD2-CE1 4.32Å; F723-F773 AromaticContact CD2-CG 3.85Å; F723-F773 HydrophobicContact CD2-CG 3.85Å; F723-F773 HydrophobicContact CE2-CB 4.41Å; F723-F773 HydrophobicContact CE2-CD1 4.44Å; F723-F773 HydrophobicContact CG-CD1 4.5Å; F726-F773 HydrophobicContact CB-CB 4.33Å; F726-F773 HydrophobicContact CD1-CB 4.43Å; F726-F773 HydrophobicContact CD2-CB 4.07Å; F726-F773 AromaticContact CD2-CD2 3.54Å; F726-F773 HydrophobicContact CD2-CD2 3.54Å; F726-F773 HydrophobicContact CD2-CE2 4.42Å; F726-F773 HydrophobicContact CD2-CG 4.2Å; F726-F773 AromaticContact CE2-CD2 3.62Å; F726-F773 HydrophobicContact CE2-CD2 3.62Å; F726-F773 HydrophobicContact CE2-CE2 4.37Å; F726-F773 HydrophobicContact CG-CB 4.01Å; F726-F773 HydrophobicContact CG-CD2 4.34Å; F726-F773 HydrophobicContact CZ-CD2 4.45Å; A769-F773 WeakPolarHBondContact O-CB 3.41Å; A769-F773 PolarHBondContact O-N 2.97Å; A771-F773 VanDerWaalsContact C-N 3.26Å; A771-F773 PolarHBondContact O-N 2.94Å; F773-Y776 AromaticContact CD2-CD1 3.76Å; F773-Y776 HydrophobicContact CD2-CD1 3.76Å; F773-Y776 HydrophobicContact CD2-CE1 4.32Å; F773-Y776 AromaticContact CE2-CD1 3.87Å; F773-Y776 HydrophobicContact CE2-CD1 3.87Å; F773-Y776 HydrophobicContact CE2-CE1 4.01Å; F773-Y776 PolarHBondContact O-N 2.67Å; F773-L777 HydrophobicContact CD1-CD1 4.14Å; F773-L777 HydrophobicContact CE1-CD1 3.76Å; F773-L777 HydrophobicContact CE2-CD1 4.32Å; F773-L777 HydrophobicContact CE2-CD2 4.48Å; F773-L777 HydrophobicContact CE2-CG 4.3Å; F773-L777 HydrophobicContact CZ-CD1 3.86Å; F773-L777 HydrophobicContact CZ-CD2 4.48Å; F773-L777 HydrophobicContact CZ-CG 4.31Å; F773-L777 WeakPolarHBondContact O-CG 3.49Å; F773-L777 PolarHBondContact O-N 3.26Å; F773-L777 VanDerWaalsContact O-N 3.07Å
774A87.3Confident79.3Confident11 Ų1158.7 Ų58.79%0.09131%0.305CS..Hα-helixtrans-68.3-35.8173.400000111.8F158 K770 A771 L777 Q778F158-A774 HydrophobicContact CD1-CB 4.41Å; K770-A774 VanDerWaalsContact O-CB 3.28Å; K770-A774 WeakPolarHBondContact O-CB 3.44Å; K770-A774 PolarHBondContact O-N 3.49Å; A771-A774 CarbonylContact O-C 3.57Å; A771-A774 WeakPolarHBondContact O-CA 3.4Å; A771-A774 WeakPolarHBondContact O-CB 3.41Å; A771-A774 PolarHBondContact O-N 3.35Å; A774-L777 PolarHBondContact O-N 3.35Å; A774-Q778 WeakPolarHBondContact O-CG 3.5Å; A774-Q778 PolarHBondContact O-N 3.28Å; A774-Q778 PolarHBondContact O-NE2 3.16Å
775D86.3Confident76.9Confident91 Ų9162 Ų6249%0.48733%0.326SS..Hα-helixtrans-63.9-46.3174.5-61.9-29.3000110.5A771 L777 Q778 S779A771-D775 VanDerWaalsContact O-CG 3.24Å; A771-D775 PolarHBondContact O-N 2.96Å; D775-L777 PolarHBondContact O-N 3.33Å; D775-Q778 CarbonylContact O-C 3.33Å; D775-Q778 WeakPolarHBondContact O-CA 3.36Å; D775-Q778 WeakPolarHBondContact O-CB 3.26Å; D775-Q778 PolarHBondContact O-N 2.92Å; D775-S779 WeakPolarHBondContact O-CB 2.85Å; D775-S779 PolarHBondContact O-N 3.13Å; D775-S779 PolarHBondContact O-OG 3.48Å
776Y87.4Confident74.5Confident6 Ų671 Ų712%0.02437%0.368CS..Hα-helixtrans-58.1-41.1173.9162-113.4000113.5L711 P712 P714 F717 P722 F726 L772 F773 Q778 S779L711-Y776 HydrophobicContact CB-CD2 4.23Å; L711-Y776 HydrophobicContact CB-CE2 3.82Å; L711-Y776 HydrophobicContact CD1-CD2 3.7Å; L711-Y776 HydrophobicContact CD1-CE2 4.09Å; P712-Y776 PolarHBondContact O-OH 3.37Å; P714-Y776 WeakPolarHBondContact CA-OH 3.23Å; P714-Y776 WeakPolarHBondContact CD-OH 3.38Å; P714-Y776 HydrophobicContact CG-CE1 3.99Å; P714-Y776 VanDerWaalsContact N-OH 3.16Å; F717-Y776 HydrophobicContact CD1-CE1 4.17Å; F717-Y776 HydrophobicContact CD1-CE2 4.35Å; F717-Y776 AromaticContact CD1-CZ 3.78Å; P722-Y776 HydrophobicContact CB-CE1 4.36Å; F726-Y776 AromaticContact CE2-CD1 3.68Å; F726-Y776 HydrophobicContact CE2-CD1 3.68Å; F726-Y776 HydrophobicContact CE2-CE1 4.15Å; F726-Y776 HydrophobicContact CE2-CG 4.03Å; F726-Y776 AromaticContact CZ-CD1 3.75Å; F726-Y776 HydrophobicContact CZ-CD1 3.75Å; F726-Y776 HydrophobicContact CZ-CD2 4.3Å; F726-Y776 AromaticContact CZ-CG 3.6Å; F726-Y776 HydrophobicContact CZ-CG 3.6Å; L772-Y776 WeakPolarHBondContact O-CB 3.47Å; L772-Y776 PolarHBondContact O-N 3.34Å; L772-Y776 VanDerWaalsContact O-N 3.07Å; F773-Y776 AromaticContact CD2-CD1 3.76Å; F773-Y776 HydrophobicContact CD2-CD1 3.76Å; F773-Y776 HydrophobicContact CD2-CE1 4.32Å; F773-Y776 AromaticContact CE2-CD1 3.87Å; F773-Y776 HydrophobicContact CE2-CD1 3.87Å; F773-Y776 HydrophobicContact CE2-CE1 4.01Å; F773-Y776 PolarHBondContact O-N 2.67Å; Y776-Q778 PolarHBondContact O-N 3.04Å; Y776-S779 WeakPolarHBondContact CA-OG 3.36Å; Y776-S779 PolarHBondContact O-OG 2.85Å
777L84.1Confident71.9Confident17 Ų1774.7 Ų74.79%0.08941%0.406CS..Hα-helixtrans-72.4-7174.9-67.9175.6000114Q155 F158 P714 F773 A774 D775Q155-L777 PolarHBondContact NE2-O 3.4Å; F158-L777 HydrophobicContact CD2-CD1 4.14Å; F158-L777 HydrophobicContact CE2-CD1 3.68Å; P714-L777 HydrophobicContact CG-CD2 3.99Å; F773-L777 HydrophobicContact CD1-CD1 4.14Å; F773-L777 HydrophobicContact CE1-CD1 3.76Å; F773-L777 HydrophobicContact CE2-CD1 4.32Å; F773-L777 HydrophobicContact CE2-CD2 4.48Å; F773-L777 HydrophobicContact CE2-CG 4.3Å; F773-L777 HydrophobicContact CZ-CD1 3.86Å; F773-L777 HydrophobicContact CZ-CD2 4.48Å; F773-L777 HydrophobicContact CZ-CG 4.31Å; F773-L777 WeakPolarHBondContact O-CG 3.49Å; F773-L777 PolarHBondContact O-N 3.26Å; F773-L777 VanDerWaalsContact O-N 3.07Å; A774-L777 PolarHBondContact O-N 3.35Å; D775-L777 PolarHBondContact O-N 3.33Å
778Q78.8Confident69.1Low123 Ų12377.2 Ų77.258%0.57542%0.422SS*.Hα-helixtrans-107.7-27.1174.9-73.7169.484.400112.9A774 D775 Y776A774-Q778 WeakPolarHBondContact O-CG 3.5Å; A774-Q778 PolarHBondContact O-N 3.28Å; A774-Q778 PolarHBondContact O-NE2 3.16Å; D775-Q778 CarbonylContact O-C 3.33Å; D775-Q778 WeakPolarHBondContact O-CA 3.36Å; D775-Q778 WeakPolarHBondContact O-CB 3.26Å; D775-Q778 PolarHBondContact O-N 2.92Å; Y776-Q778 PolarHBondContact O-N 3.04Å
779S68.9Low66.5Low60 Ų6082.8 Ų82.842%0.4245%0.452SS..Hα-helixtrans-77.4-26.5-172.957.60000114.5D775 Y776D775-S779 WeakPolarHBondContact O-CB 2.85Å; D775-S779 PolarHBondContact O-N 3.13Å; D775-S779 PolarHBondContact O-OG 3.48Å; Y776-S779 WeakPolarHBondContact CA-OG 3.36Å; Y776-S779 PolarHBondContact O-OG 2.85Å
780E60.7Low63.7Low28 Ų2887.8 Ų87.813%0.13148%0.482CS..  trans-125.7112.7-173.6-68.6176145.600110S710 L711 W782S710-E780 WeakPolarHBondContact CA-OE1 3.32Å; S710-E780 WeakPolarHBondContact CB-OE1 3.2Å; L711-E780 WeakPolarHBondContact CB-OE2 3.34Å; L711-E780 PolarHBondContact N-OE1 3.05Å; E780-W782 HydrophobicContact CB-CZ2 3.71Å; E780-W782 HydrophobicContact CG-CZ2 4.41Å; E780-W782 PolarHBondContact O-N 2.98Å; E780-W782 PolarHBondContact O-NE1 3.26Å; E780-W782 WeakPolarHBondContact OE2-CZ2 3.26Å
781V50.7Low61.1Low114 Ų11491.8 Ų91.869%0.69151%0.514SS*.  trans-76.9109.6173.9173.80000107.8D783V781-D783 HydrophobicContact CG1-CB 4.06Å; V781-D783 PolarHBondContact O-N 2.89Å
782W54.6Low58.1Low105 Ų10595.3 Ų95.340%0.39854%0.536SS..  trans-82.84.8-177.1-67.9106000114.5L711 P713 E780 S784L711-W782 WeakPolarHBondContact O-CH2 3.43Å; P713-W782 HydrophobicContact CB-CD2 3.99Å; P713-W782 HydrophobicContact CB-CE3 3.65Å; P713-W782 HydrophobicContact CB-CH2 3.97Å; P713-W782 HydrophobicContact CB-CZ2 4.26Å; P713-W782 HydrophobicContact CB-CZ3 3.65Å; P713-W782 HydrophobicContact CG-CZ3 4.22Å; E780-W782 HydrophobicContact CB-CZ2 3.71Å; E780-W782 HydrophobicContact CG-CZ2 4.41Å; E780-W782 PolarHBondContact O-N 2.98Å; E780-W782 PolarHBondContact O-NE1 3.26Å; E780-W782 WeakPolarHBondContact OE2-CZ2 3.26Å; W782-S784 PolarHBondContact O-N 3Å
783D36.9Very low55.2Low125 Ų125101.4 Ų101.467%0.66857%0.568SS**  trans-83.1106.8169.2-67.7-47.2000110.1V781 E785V781-D783 HydrophobicContact CG1-CB 4.06Å; V781-D783 PolarHBondContact O-N 2.89Å; D783-E785 PolarHBondContact O-N 2.92Å; D783-E785 VanDerWaalsContact O-N 3.13Å
784S41.2Very low52.4Low111 Ų111105.5 Ų105.578%0.77660%0.599SS**  trans-75.595168.9-57.90000110.6W782 E786W782-S784 PolarHBondContact O-N 3Å; S784-E786 PolarHBondContact O-N 3.08Å
785E41Very low49.9Very low200 Ų200111 Ų11194%0.93563%0.634SS**  trans-67.567.7157.1-72.4-165.6144.100110.3D783D783-E785 PolarHBondContact O-N 2.92Å; D783-E785 VanDerWaalsContact O-N 3.13Å
786E45.6Very low47.1Very low190 Ų190112.8 Ų112.889%0.88865%0.649SS**  trans-141.358.8175.9-154.8167.9-133.400109.8S784S784-E786 PolarHBondContact O-N 3.08Å
787G39.4Very low44.3Very low77 Ų77119 Ų11979%0.79469%0.687SS**SBendtrans-162.34.6-168.900000119.6
788D32Very low41.6Very low146 Ų146123 Ų12378%0.78172%0.723SS**  trans-15047.7175.2-143.31.1000114.9V790D788-V790 PolarHBondContact O-N 3.34Å
789E40.7Very low39.1Very low199 Ų199121.7 Ų121.793%0.9373%0.733SS**  trans-76.767.4166.8-103.6-80.7155.400110.4
790V36.7Very low37.9Very low106 Ų106124 Ų12464%0.64275%0.746SS**SBendtrans-147.6115.8163.6101.20000114.5D788D788-V790 PolarHBondContact O-N 3.34Å
791S36.5Very low36.1Very low114 Ų114132.2 Ų132.280%0.79779%0.785SS**  trans4892.8154.7-57.50000118.6
792S29.1Very low34.8Very low122 Ų122131.8 Ų131.885%0.85379%0.787SS**  trans-132.451.6159.7-78.40000112.4
793D30.3Very low34.5Very low166 Ų166131.9 Ų131.989%0.88880%0.801SS**  trans-73135.6168.4-144.9-9.5000109.8
794S32Very low33.9Very low104 Ų104130.7 Ų130.773%0.72780%0.803SS**  trans-88.2146.9-162.3-67.60000114.3
795P35.7Very low33.3Very low126 Ų126130.4 Ų130.482%0.81880%0.801SS**  trans-115119.4155.334.1-24.8000112.4
796T27.7Very low32.6Very low130 Ų130126.3 Ų126.380%0.79879%0.789SS**  trans-91.7126169.4-70.60000111
797T28.5Very low31.9Very low135 Ų135124.5 Ų124.583%0.82878%0.784SS**  trans31.6106.5149.7-47.90000119.7
798A27.1Very low31.4Very low103 Ų103126.1 Ų126.185%0.85178%0.783SS**  trans-157.8155.9140.900000111.6
799A26.8Very low31.1Very low94 Ų94123.3 Ų123.378%0.77778%0.78SS**  trans-127.8-169.6176.800000109.2
800P41.8Very low30.5Very low108 Ų108125.2 Ų125.270%0.70178%0.779SS**  -123.3163.3-59.335.2-24.3000111.9
801Q24.2Very low31.2Very low202 Ų202125.6 Ų125.694%0.94478%0.783SS**  trans-166.5152.2149.6-114142.8101.100115.1
802S23.1Very low30.9Very low104 Ų104126.6 Ų126.673%0.72778%0.778SS**  trans-122.4-172.8169.2640000107.9
803P48.3Very low30.8Very low108 Ų108130.6 Ų130.670%0.70178%0.776SS**  cis-137.8-155.5-2.639.8-18.4000113.9
804S25.1Very low30.8Very low100 Ų100127.4 Ų127.470%0.69977%0.767SS**  trans92.1112.5161.8-32.60000115.9
805S28.3Very low31.5Very low105 Ų105129 Ų12973%0.73478%0.775SS**  95.9154.469.782.30000112.2
806T26.3Very low31.3Very low113 Ų113130.9 Ų130.969%0.69378%0.777SS**  cis-164.9169.119-18.80000111.6
807I30.7Very low31.3Very low152 Ų152129.4 Ų129.478%0.77978%0.778SS**  trans71.8115.1154.9-67159.9000116.9
808S27.6Very low31.5Very low111 Ų111127.9 Ų127.978%0.77677%0.773SS**  82143.575.1-136.50000114.4
809A27.4Very low32.3Very low87 Ų87128.5 Ų128.572%0.71977%0.768SS**  cis-151.1177.816.100000115.2
810R27.8Very low33.2Very low240 Ų240129 Ų12991%0.90676%0.764SS**  trans-113.3-158.4167-76.8-175.2173.5-174.1-1.7108.5
811P50.3Low32.5Very low113 Ų113129 Ų12973%0.73477%0.767SS**  cis-116.6-154.1-17.222.64.5000110.9
812I31.7Very low32.8Very low135 Ų135124.4 Ų124.469%0.69276%0.756SS**  cis-146.1162.29.3-8.2174.3000107.8
813Y26.3Very low33.6Very low207 Ų207124.3 Ų124.381%0.81275%0.754SS**  -161.416969.4-120.4-87.2000111.9
814S30.5Very low32.7Very low98 Ų98126.5 Ų126.569%0.68576%0.759SS**  trans-142.7171.5178.9-53.10000111.1
815P47.5Very low32.9Very low137 Ų137126.6 Ų126.689%0.8976%0.76SS**  -142.6-153.185.738.7-20.1000114.4
816L30.6Very low32.8Very low166 Ų166126.3 Ų126.387%0.86975%0.754SS**  trans-141.9142.1-148.4176.174.5000113.9
817A27.1Very low32.8Very low100 Ų100130.3 Ų130.383%0.82676%0.758SS**  trans-155.1150.1155.200000111.6
818S32.3Very low32.8Very low103 Ų103129.7 Ų129.772%0.7276%0.756SS**  trans-132.1-170.7-161.2560000111.6
819P45.6Very low32.8Very low115 Ų115132 Ų13275%0.74776%0.759SS**  -130.5-138.3-51.439.7-20.2000109.2
820P44.6Very low32.9Very low106 Ų106132 Ų13269%0.68876%0.759SS**  cis-128.8-174.7-30.840-23.4000115.2
821S27.6Very low33.1Very low108 Ų108126.2 Ų126.276%0.75575%0.75SS**  trans77143.8160.171.70000119.8
822S30.9Very low32.2Very low104 Ų104127.2 Ų127.273%0.72775%0.754SS**  cis142.3156.4-30.462.80000112
823P39.7Very low32.6Very low103 Ų103128.3 Ų128.367%0.66976%0.76SS**  cis-142.9174.9-4743.1-26.6000114.7
824N28.8Very low32.9Very low153 Ų153124.1 Ų124.182%0.81876%0.758SS**  trans36.1131.8133.8-61.45.9000120.6
825S28.7Very low32.8Very low102 Ų102125 Ų12571%0.71376%0.764SS**  128.2163.977.2152.10000110.6
826T26.7Very low32.4Very low100 Ų100124.3 Ų124.361%0.61376%0.76SS**  cis-173.5172.3-28.5-58.40000106.4
827Y26.6Very low32.2Very low197 Ų197122.3 Ų122.377%0.77376%0.759SS**  trans78.6127.7169.9-57-76.2000116
828N29.8Very low32.3Very low138 Ų138121.8 Ų121.874%0.73876%0.755SS**  cis72.492.88.5-160.711.8000117.1
829L29Very low32.1Very low161 Ų161125.3 Ų125.384%0.84376%0.761SS**  179.8174.7125.6-98.2165.8000112
830A29.3Very low31.4Very low86 Ų86127 Ų12771%0.71177%0.768SS**  trans-110.5-161.5-172.600000113.7
831T32.5Very low30.7Very low119 Ų119126.4 Ų126.473%0.7377%0.767SS**  trans100.9120.4154.5-11.20000120.3
832T30.9Very low30.8Very low133 Ų133129.2 Ų129.282%0.81677%0.772SS**  trans69.8141.614734.40000123.6
833I39.3Very low30.8Very low159 Ų159128.6 Ų128.682%0.81577%0.768SS**  trans-100.5142.3172.9-62.4163.7000109.8
834P33.7Very low30.8Very low118 Ų118128.4 Ų128.477%0.76677%0.769SS**  trans-124.8160.1149.133.8-21.4000113.6
835S28.2Very low31.6Very low116 Ų116128 Ų12881%0.81177%0.772SS**  trans-75.7158.9-169.2-540000115.6
836P37.8Very low32.5Very low124 Ų124131.8 Ų131.881%0.80580%0.799SS**  trans-87.6138.7-173.533.8-35.5000115.1
837S28.2Very low32.8Very low123 Ų123133.4 Ų133.486%0.8681%0.808SS**  trans-171.6140.9162.9-80.80000108.7
838A27.9Very low33.1Very low90 Ų90130.1 Ų130.174%0.74481%0.81SS**  cis-160.3-172.5-8.700000109.7
839Q28Very low33.3Very low177 Ų177129.6 Ų129.683%0.82781%0.814SS**  trans73.593.9170.1-57.1-168-2.700118.6
840V30.6Very low33.5Very low149 Ų149127.8 Ų127.890%0.90381%0.812SS**  -121.4118.1122.1176.30000107.4
841S29.5Very low33.8Very low95 Ų95130.4 Ų130.466%0.66482%0.818SS**  trans-107.4138.1164.3-61.40000106.4
842L30.9Very low33.9Very low166 Ų166131.1 Ų131.187%0.86982%0.824SS**  -157.3156.864.7-78.4149.4000108.6
843S31.2Very low34.1Very low92 Ų92131 Ų13164%0.64383%0.825SS**  cis-160.2145.84.144.20000112.7
844S38.5Very low33.7Very low99 Ų99128.8 Ų128.869%0.69283%0.825SS**  trans60123.514363.50000122.6
845V47Very low33.7Very low144 Ų144129.8 Ų129.887%0.87383%0.83SS**  trans73.1128.5142.9177.10000116.5
846S46.1Very low34.2Very low182 Ų182131 Ų131100%1.27383%0.832SS**  cis-145.40-2.353.20000111.3

Retrieved 846 of 846 residues in 565.3 ms (Link to these results)

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