A0A077ZGY2_TRITR Loading...

Ecdysone induced protein 75B,s C:D

AlphaFold DB , UniProt , Accession A0A077ZGY2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 752 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M45.6Very low53.4Low244 Ų244158 Ų158100%1.20284%0.84SS**  0123.30-69.7177.5173.700108
2C43.8Very low55.3Low119 Ų119152.1 Ų152.180%0.80481%0.814SS**  trans-91.9121.2169.5-69.30000109.3I4C2-I4 VanDerWaalsContact C-N 3.28Å; C2-I4 PolarHBondContact O-N 2.57Å
3L47.6Very low57.6Low179 Ų179147.2 Ų147.294%0.93780%0.796SS**  trans-74.781.8172.1-86161.3000109.6A5L3-A5 VanDerWaalsContact C-N 3.27Å; L3-A5 PolarHBondContact O-N 3.45Å
4I52.9Low59.5Low154 Ų154150.8 Ų150.879%0.7980%0.8SS**  trans-70.290.7166.5-57178.4000107.1C2 A6C2-I4 VanDerWaalsContact C-N 3.28Å; C2-I4 PolarHBondContact O-N 2.57Å; I4-A6 PolarHBondContact O-N 2.73Å
5A54.6Low61.4Low84 Ų84155.5 Ų155.569%0.69480%0.803SS**  trans-61.1109.9174.100000109.2L3 V7L3-A5 VanDerWaalsContact C-N 3.27Å; L3-A5 PolarHBondContact O-N 3.45Å; A5-V7 PolarHBondContact O-N 2.93Å
6A51.6Low62.9Low87 Ų87150.3 Ų150.372%0.71977%0.774SS**  trans-65.3106-174.900000110.8I4 R8I4-A6 PolarHBondContact O-N 2.73Å; A6-R8 VanDerWaalsContact C-N 3.27Å; A6-R8 PolarHBondContact O-N 2.96Å
7V54.6Low64.2Low126 Ų126150 Ų15076%0.76477%0.765SS**  trans-67.585.2177-1770000109.5A5 F9A5-V7 PolarHBondContact O-N 2.93Å; V7-F9 PolarHBondContact O-N 2.98Å
8R55.5Low65.6Low233 Ų233144.8 Ų144.888%0.87975%0.749SS**  trans-68.1114168.6-78.3-177.9163.1171.5-4108.3A6 G10A6-R8 VanDerWaalsContact C-N 3.27Å; A6-R8 PolarHBondContact O-N 2.96Å; R8-G10 VanDerWaalsContact C-N 3.32Å; R8-G10 PolarHBondContact O-N 3.3Å
9F48.7Very low67Low204 Ų204143.9 Ų143.990%0.89574%0.739SS**  trans-58.493.2170.1-79.4-92.5000110.1V7V7-F9 PolarHBondContact O-N 2.98Å
10G58.7Low68Low61 Ų61141.8 Ų141.863%0.62973%0.727SS**  trans-69.3145.9-17600000112.3R8 V12R8-G10 VanDerWaalsContact C-N 3.32Å; R8-G10 PolarHBondContact O-N 3.3Å; G10-V12 PolarHBondContact O-N 2.98Å; G10-V12 VanDerWaalsContact O-N 3.07Å
11R73.4Confident68.9Low247 Ų247138.9 Ų138.993%0.93271%0.713SS**  trans-62111.6170.2-65.3177179.3172.4-0.7108.5P13R11-P13 WeakPolarHBondContact O-CD 3.08Å
12V76.9Confident70.9Confident87 Ų87129.4 Ų129.453%0.52767%0.674SS.*  trans-52.2122.7178.8-177.30000109.6G10 E16 K17G10-V12 PolarHBondContact O-N 2.98Å; G10-V12 VanDerWaalsContact O-N 3.07Å; V12-E16 HydrophobicContact CG1-CB 4.31Å; V12-K17 HydrophobicContact CG1-CB 3.98Å
13P85Confident73.1Confident89 Ų89128.5 Ų128.558%0.57866%0.657SS**  trans-55.5140.4179.9-27.535.5000111.6R11 R15 E16 K17R11-P13 WeakPolarHBondContact O-CD 3.08Å; P13-R15 PolarHBondContact O-N 3.11Å; P13-R15 VanDerWaalsContact O-N 3.11Å; P13-E16 PolarHBondContact O-N 3.25Å; P13-K17 PolarHBondContact O-N 3.31Å
14K84.4Confident75Confident197 Ų197125.9 Ų125.986%0.85764%0.642SS**Hα-helixtrans-51.7-40.7-175.7-70.7-175.8179.3178.60112.7A18K14-A18 WeakPolarHBondContact O-CB 3.46Å; K14-A18 PolarHBondContact O-N 2.98Å
15R87.1Confident76.5Confident221 Ų221124 Ų12483%0.83463%0.63SS**Hα-helixtrans-61.8-46.4176.9-172.6177.9-177178.51.1112.4P13 A18 K19P13-R15 PolarHBondContact O-N 3.11Å; P13-R15 VanDerWaalsContact O-N 3.11Å; R15-A18 PolarHBondContact O-N 2.98Å; R15-K19 PolarHBondContact O-N 2.88Å
16E86.3Confident77.9Confident73 Ų73127.6 Ų127.634%0.34163%0.625SS.*Hα-helixtrans-73.1-36.5-179-155.760.8-157.200111.5V12 P13 A18 K19 I20V12-E16 HydrophobicContact CG1-CB 4.31Å; P13-E16 PolarHBondContact O-N 3.25Å; E16-A18 VanDerWaalsContact C-N 3.3Å; E16-A18 PolarHBondContact O-N 2.69Å; E16-K19 PolarHBondContact O-N 3.33Å; E16-K19 WeakPolarHBondContact OE1-CD 3.47Å; E16-K19 WeakPolarHBondContact OE1-CE 3.27Å; E16-K19 IonicContact OE1-NZ 2.73Å; E16-K19 PolarHBondContact OE1-NZ 2.99Å; E16-K19 IonicContact OE2-NZ 3.13Å; E16-I20 HydrophobicContact CG-CD1 4.21Å; E16-I20 WeakPolarHBondContact O-CB 3.48Å; E16-I20 VanDerWaalsContact O-CG1 3.27Å; E16-I20 WeakPolarHBondContact O-CG1 3.48Å; E16-I20 PolarHBondContact O-N 3.05Å
17K85.5Confident79.6Confident145 Ų145126.1 Ų126.163%0.6361%0.614SS**Hα-helixtrans-58.9-41170.6-176.4176.9177.6-179.90111.8V12 P13 L21V12-K17 HydrophobicContact CG1-CB 3.98Å; P13-K17 PolarHBondContact O-N 3.31Å; K17-L21 WeakPolarHBondContact O-CB 3.41Å; K17-L21 PolarHBondContact O-N 3.26Å; K17-L21 VanDerWaalsContact O-N 3.07Å
18A89.1Confident81Confident56 Ų56124.5 Ų124.546%0.46360%0.601SS.*Hα-helixtrans-67.1-42.5176.400000112.1K14 R15 E16 L21 A22K14-A18 WeakPolarHBondContact O-CB 3.46Å; K14-A18 PolarHBondContact O-N 2.98Å; R15-A18 PolarHBondContact O-N 2.98Å; E16-A18 VanDerWaalsContact C-N 3.3Å; E16-A18 PolarHBondContact O-N 2.69Å; A18-L21 PolarHBondContact O-N 3.43Å; A18-A22 WeakPolarHBondContact O-CB 3.46Å; A18-A22 PolarHBondContact O-N 3.15Å
19K91.2Very high82.2Confident129 Ų129115.2 Ų115.256%0.56157%0.573SS**Hα-helixtrans-61.9-46.8176179.3178.7156.9-143.20112.4R15 E16 L21 A22 E23R15-K19 PolarHBondContact O-N 2.88Å; E16-K19 PolarHBondContact O-N 3.33Å; E16-K19 WeakPolarHBondContact OE1-CD 3.47Å; E16-K19 WeakPolarHBondContact OE1-CE 3.27Å; E16-K19 IonicContact OE1-NZ 2.73Å; E16-K19 PolarHBondContact OE1-NZ 2.99Å; E16-K19 IonicContact OE2-NZ 3.13Å; K19-L21 VanDerWaalsContact C-N 3.33Å; K19-L21 PolarHBondContact O-N 3.45Å; K19-A22 PolarHBondContact O-N 2.98Å; K19-E23 PolarHBondContact O-N 2.79Å
20I87.1Confident84Confident100 Ų100111.6 Ų111.651%0.51356%0.559SS.*Hα-helixtrans-60.7-42.3175.6-67.2163.6000110.8E16 E23 M24E16-I20 HydrophobicContact CG-CD1 4.21Å; E16-I20 WeakPolarHBondContact O-CB 3.48Å; E16-I20 VanDerWaalsContact O-CG1 3.27Å; E16-I20 WeakPolarHBondContact O-CG1 3.48Å; E16-I20 PolarHBondContact O-N 3.05Å; I20-E23 PolarHBondContact O-N 3.36Å; I20-M24 WeakPolarHBondContact O-CB 3.27Å; I20-M24 PolarHBondContact O-N 2.84Å
21L87.3Confident85.1Confident82 Ų82111.3 Ų111.343%0.42955%0.547SS..Hα-helixtrans-64.4-44.2177.5179.660000112.1K17 A18 K19 M24 Q25K17-L21 WeakPolarHBondContact O-CB 3.41Å; K17-L21 PolarHBondContact O-N 3.26Å; K17-L21 VanDerWaalsContact O-N 3.07Å; A18-L21 PolarHBondContact O-N 3.43Å; K19-L21 VanDerWaalsContact C-N 3.33Å; K19-L21 PolarHBondContact O-N 3.45Å; L21-M24 HydrophobicContact CD1-CE 3.85Å; L21-M24 PolarHBondContact O-N 2.87Å; L21-Q25 WeakPolarHBondContact O-CB 3.43Å; L21-Q25 VanDerWaalsContact O-CG 3.27Å; L21-Q25 WeakPolarHBondContact O-CG 3.43Å; L21-Q25 PolarHBondContact O-N 3.47Å
22A88.3Confident85.6Confident45 Ų45101 Ų10137%0.37251%0.51SS..Hα-helixtrans-63.8-39.7177.800000112.1A18 K19 Q25 R26A18-A22 WeakPolarHBondContact O-CB 3.46Å; A18-A22 PolarHBondContact O-N 3.15Å; K19-A22 PolarHBondContact O-N 2.98Å; A22-Q25 WeakPolarHBondContact O-CB 3.35Å; A22-Q25 PolarHBondContact O-N 3.12Å; A22-R26 PolarHBondContact O-N 3.02Å
23E89.1Confident86Confident99 Ų9998.8 Ų98.846%0.46350%0.501SS..Hα-helixtrans-73.5-36.5178.8-160.456.2-149.800112.2K19 I20 Q25 R26 A27K19-E23 PolarHBondContact O-N 2.79Å; I20-E23 PolarHBondContact O-N 3.36Å; E23-Q25 VanDerWaalsContact C-N 3.29Å; E23-Q25 PolarHBondContact O-N 2.92Å; E23-R26 PolarHBondContact O-N 3Å; E23-R26 WeakPolarHBondContact OE1-CD 3.48Å; E23-R26 IonicContact OE2-CZ 2.69Å; E23-R26 IonicContact OE2-NH1 3.67Å; E23-R26 PolarHBondContact OE2-NH1 3.07Å; E23-A27 WeakPolarHBondContact O-CB 3.44Å; E23-A27 PolarHBondContact O-N 2.82Å
24M87Confident86.1Confident124 Ų12498 Ų9861%0.61149%0.494SS*.Hα-helixtrans-62.6-36.7170.1-171.7-177.46900111.9I20 L21 N28I20-M24 WeakPolarHBondContact O-CB 3.27Å; I20-M24 PolarHBondContact O-N 2.84Å; L21-M24 HydrophobicContact CD1-CE 3.85Å; L21-M24 PolarHBondContact O-N 2.87Å; M24-N28 WeakPolarHBondContact O-CB 3.47Å; M24-N28 PolarHBondContact O-N 3.48Å; M24-N28 VanDerWaalsContact O-N 3.07Å
25Q85.4Confident86.1Confident116 Ų11692.6 Ų92.654%0.54248%0.475SS..Hα-helixtrans-66.5-44.2173.1-75.5170.3-1700111.8L21 A22 E23 N28 A29L21-Q25 WeakPolarHBondContact O-CB 3.43Å; L21-Q25 VanDerWaalsContact O-CG 3.27Å; L21-Q25 WeakPolarHBondContact O-CG 3.43Å; L21-Q25 PolarHBondContact O-N 3.47Å; A22-Q25 WeakPolarHBondContact O-CB 3.35Å; A22-Q25 PolarHBondContact O-N 3.12Å; E23-Q25 VanDerWaalsContact C-N 3.29Å; E23-Q25 PolarHBondContact O-N 2.92Å; Q25-N28 PolarHBondContact O-N 3.29Å; Q25-A29 WeakPolarHBondContact O-CB 3.45Å; Q25-A29 PolarHBondContact O-N 3.39Å
26R84.4Confident86.1Confident158 Ų15882.5 Ų82.560%0.59644%0.437SS*.Hα-helixtrans-58.9-47.4174.2175.3175.2-75116.6-0.4111.9A22 E23 N28 A29 H30A22-R26 PolarHBondContact O-N 3.02Å; E23-R26 PolarHBondContact O-N 3Å; E23-R26 WeakPolarHBondContact OE1-CD 3.48Å; E23-R26 IonicContact OE2-CZ 2.69Å; E23-R26 IonicContact OE2-NH1 3.67Å; E23-R26 PolarHBondContact OE2-NH1 3.07Å; R26-N28 PolarHBondContact O-N 2.93Å; R26-A29 PolarHBondContact O-N 3.33Å; R26-H30 WeakPolarHBondContact O-CB 3.46Å; R26-H30 PolarHBondContact O-N 3.24Å
27A85.9Confident86.1Confident57 Ų5781.1 Ų81.147%0.47144%0.439SS..Hα-helixtrans-61.8-41.3178.100000112.4E23 H30 S31E23-A27 WeakPolarHBondContact O-CB 3.44Å; E23-A27 PolarHBondContact O-N 2.82Å; A27-H30 PolarHBondContact O-N 3.23Å; A27-S31 WeakPolarHBondContact O-CB 3.38Å; A27-S31 PolarHBondContact O-N 2.91Å
28N84.1Confident86Confident92 Ų9277.5 Ų77.549%0.49244%0.435SS..Hα-helixtrans-64.8-44.6174.8-17724.3000112M24 Q25 R26 S31 Q32M24-N28 WeakPolarHBondContact O-CB 3.47Å; M24-N28 PolarHBondContact O-N 3.48Å; M24-N28 VanDerWaalsContact O-N 3.07Å; Q25-N28 PolarHBondContact O-N 3.29Å; R26-N28 PolarHBondContact O-N 2.93Å; N28-S31 PolarHBondContact O-N 3.45Å; N28-Q32 WeakPolarHBondContact O-CG 3.36Å; N28-Q32 PolarHBondContact O-N 2.95Å; N28-Q32 PolarHBondContact OD1-NE2 2.96Å
29A82.3Confident85.7Confident37 Ų3778.5 Ų78.531%0.30643%0.432SS..Hα-helixtrans-63.7-40.5176.800000112.2Q25 R26 Q32 A33Q25-A29 WeakPolarHBondContact O-CB 3.45Å; Q25-A29 PolarHBondContact O-N 3.39Å; R26-A29 PolarHBondContact O-N 3.33Å; A29-Q32 PolarHBondContact O-N 3.07Å; A29-A33 PolarHBondContact O-N 2.81Å
30H84.9Confident85.3Confident129 Ų12973 Ų7360%0.59741%0.409SS*.Hα-helixtrans-64-44.9173.7-177.269.5000111.6R26 A27 Q32 A33 T34R26-H30 WeakPolarHBondContact O-CB 3.46Å; R26-H30 PolarHBondContact O-N 3.24Å; A27-H30 PolarHBondContact O-N 3.23Å; H30-Q32 VanDerWaalsContact C-N 3.35Å; H30-Q32 PolarHBondContact O-N 3.33Å; H30-A33 WeakPolarHBondContact O-CB 3.48Å; H30-A33 PolarHBondContact O-N 2.77Å; H30-A33 VanDerWaalsContact O-N 3.16Å; H30-T34 PolarHBondContact O-N 2.8Å; H30-T34 PolarHBondContact O-OG1 3.16Å
31S83.6Confident85.1Confident54 Ų5474.8 Ų74.838%0.37842%0.416SS..Hα-helixtrans-60-42.3175.1-175.70000112.2A27 N28 A33 T34 N35A27-S31 WeakPolarHBondContact O-CB 3.38Å; A27-S31 PolarHBondContact O-N 2.91Å; N28-S31 PolarHBondContact O-N 3.45Å; S31-A33 PolarHBondContact O-N 2.88Å; S31-T34 PolarHBondContact O-N 3.34Å; S31-N35 VanDerWaalsContact O-CB 3.27Å; S31-N35 WeakPolarHBondContact O-CB 3.43Å; S31-N35 PolarHBondContact O-N 2.91Å; S31-N35 PolarHBondContact O-ND2 3.35Å; S31-N35 PolarHBondContact OG-ND2 2.93Å
32Q81.9Confident85.1Confident31 Ų3174.9 Ų74.915%0.14542%0.416CS..Hα-helixtrans-61.3-42.3173.7-73172.226.400112.1N28 A29 H30 L36 V126 N225 L228N28-Q32 WeakPolarHBondContact O-CG 3.36Å; N28-Q32 PolarHBondContact O-N 2.95Å; N28-Q32 PolarHBondContact OD1-NE2 2.96Å; A29-Q32 PolarHBondContact O-N 3.07Å; H30-Q32 VanDerWaalsContact C-N 3.35Å; H30-Q32 PolarHBondContact O-N 3.33Å; Q32-L36 VanDerWaalsContact O-CB 3.24Å; Q32-L36 WeakPolarHBondContact O-CB 3.32Å; Q32-L36 PolarHBondContact O-N 3.07Å; Q32-V126 HydrophobicContact CB-CG1 4.47Å; Q32-N225 PolarHBondContact OE1-ND2 3.4Å; Q32-L228 HydrophobicContact CB-CD1 4.18Å
33A85.7Confident85.2Confident41 Ų4173.3 Ų73.334%0.33941%0.405SS..Hα-helixtrans-63.6-45.3177.400000112.3A29 H30 S31 L36 A37 L228A29-A33 PolarHBondContact O-N 2.81Å; H30-A33 WeakPolarHBondContact O-CB 3.48Å; H30-A33 PolarHBondContact O-N 2.77Å; H30-A33 VanDerWaalsContact O-N 3.16Å; S31-A33 PolarHBondContact O-N 2.88Å; A33-L36 PolarHBondContact O-N 3.07Å; A33-A37 WeakPolarHBondContact O-CB 3.39Å; A33-A37 PolarHBondContact O-N 3.2Å; A33-L228 HydrophobicContact CB-CD1 3.99Å
34T87Confident85.3Confident72 Ų7276 Ų7644%0.44242%0.415SS..Hα-helixtrans-68.6-43.1179.3-56.40000111.9H30 S31 L36 A37 A38H30-T34 PolarHBondContact O-N 2.8Å; H30-T34 PolarHBondContact O-OG1 3.16Å; S31-T34 PolarHBondContact O-N 3.34Å; T34-L36 VanDerWaalsContact C-N 3.32Å; T34-L36 PolarHBondContact O-N 2.88Å; T34-A37 PolarHBondContact O-N 3.49Å; T34-A38 PolarHBondContact O-N 3.3Å; T34-A38 VanDerWaalsContact O-N 3.08Å
35N84.9Confident85.5Confident84 Ų8474.2 Ų74.245%0.44941%0.405SS..Hα-helixtrans-62.2-39.7174.7-71.4-31.7000111.8S31 I39 V126S31-N35 VanDerWaalsContact O-CB 3.27Å; S31-N35 WeakPolarHBondContact O-CB 3.43Å; S31-N35 PolarHBondContact O-N 2.91Å; S31-N35 PolarHBondContact O-ND2 3.35Å; S31-N35 PolarHBondContact OG-ND2 2.93Å; N35-I39 WeakPolarHBondContact O-CD1 3.49Å; N35-I39 WeakPolarHBondContact O-CG1 3.42Å; N35-I39 PolarHBondContact O-N 3.31Å; N35-V126 HydrophobicContact CB-CG1 4.05Å
36L87.2Confident85.9Confident8 Ų868.7 Ų68.74%0.04238%0.379CS..Hα-helixtrans-65.5-47.9175.1-179.566.2000111Q32 A33 T34 A38 I39 V40 V126 L127 L228 F232Q32-L36 VanDerWaalsContact O-CB 3.24Å; Q32-L36 WeakPolarHBondContact O-CB 3.32Å; Q32-L36 PolarHBondContact O-N 3.07Å; A33-L36 PolarHBondContact O-N 3.07Å; T34-L36 VanDerWaalsContact C-N 3.32Å; T34-L36 PolarHBondContact O-N 2.88Å; L36-A38 PolarHBondContact O-N 2.91Å; L36-I39 PolarHBondContact O-N 3.46Å; L36-V40 HydrophobicContact CD1-CG2 3.59Å; L36-V40 HydrophobicContact CG-CG2 4Å; L36-V40 WeakPolarHBondContact O-CB 3.49Å; L36-V40 WeakPolarHBondContact O-CG2 3.42Å; L36-V40 PolarHBondContact O-N 2.92Å; L36-V126 HydrophobicContact CB-CG1 4.27Å; L36-L127 HydrophobicContact CD2-CD2 4.5Å; L36-L228 HydrophobicContact CD2-CD2 3.48Å; L36-L228 VanDerWaalsContact CD2-CD2 3.48Å; L36-L228 HydrophobicContact CD2-CG 3.88Å; L36-F232 HydrophobicContact CD1-CD1 4.32Å; L36-F232 HydrophobicContact CD1-CD2 4.27Å; L36-F232 HydrophobicContact CD1-CE1 4.48Å; L36-F232 HydrophobicContact CD1-CE2 4.39Å; L36-F232 HydrophobicContact CD1-CG 4.25Å; L36-F232 HydrophobicContact CD2-CB 4.09Å; L36-F232 HydrophobicContact CD2-CG 4.27Å
37A85.4Confident86.4Confident45 Ų4562 Ų6237%0.37236%0.356SS..Hα-helixtrans-54.4-51.1179.600000111.7A33 T34 I39 V40 E41A33-A37 WeakPolarHBondContact O-CB 3.39Å; A33-A37 PolarHBondContact O-N 3.2Å; T34-A37 PolarHBondContact O-N 3.49Å; A37-I39 VanDerWaalsContact C-N 3.29Å; A37-I39 PolarHBondContact O-N 3.41Å; A37-V40 CarbonylContact O-C 3.58Å; A37-V40 PolarHBondContact O-N 3.32Å; A37-E41 WeakPolarHBondContact O-CG 3.42Å; A37-E41 PolarHBondContact O-N 2.98Å
38A84.9Confident86.9Confident68 Ų6862.1 Ų62.156%0.56236%0.357SS*.Hα-helixtrans-59.8-34.4179.400000113.9T34 L36T34-A38 PolarHBondContact O-N 3.3Å; T34-A38 VanDerWaalsContact O-N 3.08Å; L36-A38 PolarHBondContact O-N 2.91Å
39I81.5Confident87.4Confident77 Ų7761.8 Ų61.840%0.39535%0.349SS..Hα-helixtrans-75.7-30.3176.1-69.4165.9000111.8N35 L36 A37 P122 V126N35-I39 WeakPolarHBondContact O-CD1 3.49Å; N35-I39 WeakPolarHBondContact O-CG1 3.42Å; N35-I39 PolarHBondContact O-N 3.31Å; L36-I39 PolarHBondContact O-N 3.46Å; A37-I39 VanDerWaalsContact C-N 3.29Å; A37-I39 PolarHBondContact O-N 3.41Å; I39-P122 HydrophobicContact CG2-CB 3.7Å; I39-V126 HydrophobicContact CD1-CG2 3.75Å
40V83.8Confident88.1Confident13 Ų1360.1 Ų60.18%0.07933%0.334CS..Hα-helixtrans-92.9-9.8-172.5172.30000111.8L36 A37 M46 F232 R235L36-V40 HydrophobicContact CD1-CG2 3.59Å; L36-V40 HydrophobicContact CG-CG2 4Å; L36-V40 WeakPolarHBondContact O-CB 3.49Å; L36-V40 WeakPolarHBondContact O-CG2 3.42Å; L36-V40 PolarHBondContact O-N 2.92Å; A37-V40 CarbonylContact O-C 3.58Å; A37-V40 PolarHBondContact O-N 3.32Å; V40-M46 HydrophobicContact CB-SD 4.45Å; V40-M46 HydrophobicContact CG1-SD 4.18Å; V40-M46 HydrophobicContact CG2-SD 4.37Å; V40-F232 HydrophobicContact CG2-CD2 3.92Å; V40-F232 HydrophobicContact CG2-CE2 3.91Å; V40-R235 HydrophobicContact CG1-CB 3.49Å; V40-R235 VanDerWaalsContact CG1-CB 3.49Å; V40-R235 HydrophobicContact CG1-CG 3.41Å; V40-R235 VanDerWaalsContact CG1-CG 3.41Å; V40-R235 PolarHBondContact O-NE 3.22Å; V40-R235 PolarHBondContact O-NH2 2.96Å
41E83.1Confident88.6Confident139 Ų13956.1 Ų56.165%0.6532%0.317SS*.Hα-helixtrans-67.3-41.1172.8-86.6171.6-159.300113.4A37 G43 R235A37-E41 WeakPolarHBondContact O-CG 3.42Å; A37-E41 PolarHBondContact O-N 2.98Å; E41-G43 PolarHBondContact O-N 2.99Å; E41-R235 PolarHBondContact O-NH2 2.89Å
42D86.9Confident89.2Confident83 Ų8357.4 Ų57.444%0.44433%0.326SS..  trans-78.286.9173.7-171.2-11.2000111.8K44 H45 M46D42-K44 PolarHBondContact O-N 3.12Å; D42-K44 WeakPolarHBondContact OD1-CA 3.24Å; D42-K44 WeakPolarHBondContact OD1-CB 3.27Å; D42-K44 PolarHBondContact OD1-N 3.31Å; D42-H45 HydrophobicContact CB-CB 4.1Å; D42-H45 VanDerWaalsContact CG-CB 3.47Å; D42-H45 PolarHBondContact OD1-N 2.82Å; D42-H45 VanDerWaalsContact OD2-CB 3.25Å; D42-H45 WeakPolarHBondContact OD2-CB 3.23Å; D42-M46 WeakPolarHBondContact O-CB 3.44Å; D42-M46 PolarHBondContact O-N 3.18Å
43G90Very high89.9Confident12 Ų1256.1 Ų56.112%0.12432%0.321CS..Hα-helixtrans-59.9-28.7174.900000114.3E41 V47E41-G43 PolarHBondContact O-N 2.99Å; G43-V47 WeakPolarHBondContact O-CB 3.32Å; G43-V47 WeakPolarHBondContact O-CG2 3.21Å; G43-V47 PolarHBondContact O-N 3.47Å
44K90.6Very high90.3Very high157 Ų15754.3 Ų54.368%0.68331%0.305SS*.Hα-helixtrans-76.4-47.7-178.2-66.7-179.4-180176.80110.5D42 M46 A48D42-K44 PolarHBondContact O-N 3.12Å; D42-K44 WeakPolarHBondContact OD1-CA 3.24Å; D42-K44 WeakPolarHBondContact OD1-CB 3.27Å; D42-K44 PolarHBondContact OD1-N 3.31Å; K44-M46 VanDerWaalsContact C-N 3.3Å; K44-M46 PolarHBondContact O-N 3.28Å; K44-A48 WeakPolarHBondContact O-CB 3.27Å; K44-A48 PolarHBondContact O-N 2.96Å
45H91.6Very high90.6Very high85 Ų8554 Ų5439%0.39430%0.3SS..Hα-helixtrans-61.8-41172.7-172.595000111.3D42 A48 R49D42-H45 HydrophobicContact CB-CB 4.1Å; D42-H45 VanDerWaalsContact CG-CB 3.47Å; D42-H45 PolarHBondContact OD1-N 2.82Å; D42-H45 VanDerWaalsContact OD2-CB 3.25Å; D42-H45 WeakPolarHBondContact OD2-CB 3.23Å; H45-A48 PolarHBondContact O-N 3.45Å; H45-R49 WeakPolarHBondContact NE2-CG 3.36Å; H45-R49 PolarHBondContact NE2-NE 3.43Å; H45-R49 WeakPolarHBondContact O-CB 3.15Å; H45-R49 WeakPolarHBondContact O-CG 3.39Å; H45-R49 PolarHBondContact O-N 3.43Å
46M94Very high90.9Very high0 Ų055.1 Ų55.10%030%0.303CS..Hα-helixtrans-60.3-50.1178.3-175.4167.917000112.3V40 D42 K44 R49 I50 F232 R235 L236 L239V40-M46 HydrophobicContact CB-SD 4.45Å; V40-M46 HydrophobicContact CG1-SD 4.18Å; V40-M46 HydrophobicContact CG2-SD 4.37Å; D42-M46 WeakPolarHBondContact O-CB 3.44Å; D42-M46 PolarHBondContact O-N 3.18Å; K44-M46 VanDerWaalsContact C-N 3.3Å; K44-M46 PolarHBondContact O-N 3.28Å; M46-R49 PolarHBondContact O-N 2.92Å; M46-I50 HydrophobicContact CE-CD1 4.14Å; M46-I50 HydrophobicContact CG-CD1 3.76Å; M46-I50 WeakPolarHBondContact O-CB 3.28Å; M46-I50 WeakPolarHBondContact O-CD1 3.17Å; M46-I50 WeakPolarHBondContact O-CG1 3.34Å; M46-I50 PolarHBondContact O-N 3.16Å; M46-F232 HydrophobicContact CE-CD2 4.26Å; M46-F232 HydrophobicContact CE-CE2 3.75Å; M46-R235 HydrophobicContact CE-CG 4.39Å; M46-R235 HydrophobicContact SD-CG 4.21Å; M46-L236 HydrophobicContact CE-CD2 3.43Å; M46-L236 VanDerWaalsContact CE-CD2 3.43Å; M46-L236 HydrophobicContact CE-CG 3.7Å; M46-L239 HydrophobicContact CB-CD1 4.32Å; M46-L239 HydrophobicContact CE-CD1 3.96Å; M46-L239 HydrophobicContact CG-CD1 3.94Å; M46-L239 HydrophobicContact SD-CD1 3.65Å
47V95.8Very high91.1Very high18 Ų1855 Ų5511%0.10930%0.303CS..Hα-helixtrans-61.8-44.2175.8170.80000111.6G43 R49 I50 L51 I205 L209 L239 I243G43-V47 WeakPolarHBondContact O-CB 3.32Å; G43-V47 WeakPolarHBondContact O-CG2 3.21Å; G43-V47 PolarHBondContact O-N 3.47Å; V47-R49 PolarHBondContact O-N 2.91Å; V47-I50 PolarHBondContact O-N 2.94Å; V47-L51 WeakPolarHBondContact O-CB 3.33Å; V47-L51 PolarHBondContact O-N 3.5Å; V47-I205 HydrophobicContact CG1-CD1 3.73Å; V47-I205 HydrophobicContact CG1-CG1 4.09Å; V47-L209 HydrophobicContact CG2-CD1 4.24Å; V47-L209 HydrophobicContact CG2-CD2 4.23Å; V47-L239 HydrophobicContact CG2-CB 4.19Å; V47-L239 HydrophobicContact CG2-CD1 4.25Å; V47-L239 HydrophobicContact CG2-CD2 4.21Å; V47-L239 HydrophobicContact CG2-CG 4.45Å; V47-I243 HydrophobicContact CG1-CD1 4.31Å
48A94.8Very high91.2Very high59 Ų5953 Ų5349%0.48829%0.286SS..Hα-helixtrans-63.4-42.6-179.700000113K44 H45 S52K44-A48 WeakPolarHBondContact O-CB 3.27Å; K44-A48 PolarHBondContact O-N 2.96Å; H45-A48 PolarHBondContact O-N 3.45Å; A48-S52 VanDerWaalsContact O-CB 3.28Å; A48-S52 WeakPolarHBondContact O-CB 3.41Å; A48-S52 PolarHBondContact O-N 3.32Å
49R94.9Very high91.2Very high86 Ų8653.2 Ų53.233%0.32528%0.276SS..Hα-helixtrans-62.5-46.7173.9-76.1-79.5-161.5158.94.2111.8H45 M46 V47 S52 A53 P122 E356H45-R49 WeakPolarHBondContact NE2-CG 3.36Å; H45-R49 PolarHBondContact NE2-NE 3.43Å; H45-R49 WeakPolarHBondContact O-CB 3.15Å; H45-R49 WeakPolarHBondContact O-CG 3.39Å; H45-R49 PolarHBondContact O-N 3.43Å; M46-R49 PolarHBondContact O-N 2.92Å; V47-R49 PolarHBondContact O-N 2.91Å; R49-S52 PolarHBondContact O-N 2.88Å; R49-A53 WeakPolarHBondContact O-CB 3.45Å; R49-A53 PolarHBondContact O-N 2.58Å; R49-P122 HydrophobicContact CB-CG 3.55Å; R49-P122 HydrophobicContact CG-CG 3.77Å; R49-E356 IonicContact CZ-OE1 2.67Å; R49-E356 IonicContact CZ-OE2 2.7Å; R49-E356 IonicContact NH1-OE1 3.28Å; R49-E356 IonicContact NH2-OE1 4Å; R49-E356 PolarHBondContact NH2-OE1 3.49Å; R49-E356 IonicContact NH2-OE2 2.69Å; R49-E356 PolarHBondContact NH2-OE2 3.37Å
50I97Very high91.2Very high1 Ų152.6 Ų52.61%0.00527%0.27CS..Hα-helixtrans-61.7-47.6-179.6-71.8167.2000110.7M46 V47 Y54 F117 I121 A208 L209 A212 L236M46-I50 HydrophobicContact CE-CD1 4.14Å; M46-I50 HydrophobicContact CG-CD1 3.76Å; M46-I50 WeakPolarHBondContact O-CB 3.28Å; M46-I50 WeakPolarHBondContact O-CD1 3.17Å; M46-I50 WeakPolarHBondContact O-CG1 3.34Å; M46-I50 PolarHBondContact O-N 3.16Å; V47-I50 PolarHBondContact O-N 2.94Å; I50-Y54 WeakPolarHBondContact O-CB 3.4Å; I50-Y54 PolarHBondContact O-N 3.33Å; I50-F117 HydrophobicContact CG2-CE2 4.17Å; I50-I121 HydrophobicContact CD1-CG2 4.08Å; I50-I121 HydrophobicContact CG1-CB 4.48Å; I50-I121 HydrophobicContact CG1-CG1 4.38Å; I50-I121 HydrophobicContact CG1-CG2 4.06Å; I50-A208 HydrophobicContact CG2-CB 3.97Å; I50-L209 HydrophobicContact CD1-CD2 4Å; I50-L209 HydrophobicContact CG2-CD2 4.22Å; I50-L209 HydrophobicContact CG2-CG 4.5Å; I50-A212 HydrophobicContact CG2-CB 4.36Å; I50-L236 HydrophobicContact CD1-CD2 3.57Å
51L97Very high91Very high46 Ų4652 Ų5224%0.24127%0.266CS..Hα-helixtrans-62.7-47177174.959.5000111.9V47 A53 Y54 L55 I205V47-L51 WeakPolarHBondContact O-CB 3.33Å; V47-L51 PolarHBondContact O-N 3.5Å; L51-A53 PolarHBondContact O-N 3.42Å; L51-Y54 PolarHBondContact O-N 3.01Å; L51-L55 HydrophobicContact CD1-CD1 3.77Å; L51-L55 HydrophobicContact CD1-CD2 4.47Å; L51-L55 HydrophobicContact CD1-CG 3.86Å; L51-L55 HydrophobicContact CG-CD1 4Å; L51-L55 HydrophobicContact CG-CG 4.46Å; L51-L55 WeakPolarHBondContact O-CB 3.32Å; L51-L55 WeakPolarHBondContact O-CG 3.45Å; L51-L55 PolarHBondContact O-N 2.9Å; L51-I205 HydrophobicContact CD1-CB 4.22Å; L51-I205 HydrophobicContact CD2-CB 4.24Å; L51-I205 HydrophobicContact CD2-CD1 4.33Å; L51-I205 HydrophobicContact CD2-CG1 4.29Å
52S95.7Very high90.8Very high81 Ų8149 Ų4957%0.56625%0.251SS*.Hα-helixtrans-58.6-48179.5-177.90000112A48 R49 Y54 L55 E56A48-S52 VanDerWaalsContact O-CB 3.28Å; A48-S52 WeakPolarHBondContact O-CB 3.41Å; A48-S52 PolarHBondContact O-N 3.32Å; R49-S52 PolarHBondContact O-N 2.88Å; S52-Y54 PolarHBondContact O-N 2.91Å; S52-L55 PolarHBondContact O-N 2.87Å; S52-E56 PolarHBondContact O-N 3.17Å
53A95.3Very high90.4Very high3 Ų350.2 Ų50.23%0.02526%0.257CS..Hα-helixtrans-70.2-31178.400000113.4R49 L51 A57 F117 N120R49-A53 WeakPolarHBondContact O-CB 3.45Å; R49-A53 PolarHBondContact O-N 2.58Å; L51-A53 PolarHBondContact O-N 3.42Å; A53-A57 PolarHBondContact O-N 2.82Å; A53-A57 VanDerWaalsContact O-N 3.13Å; A53-F117 HydrophobicContact CB-CD2 4.02Å; A53-N120 HydrophobicContact CB-CB 3.44Å; A53-N120 VanDerWaalsContact CB-CB 3.44Å
54Y95.3Very high89.7Confident4 Ų454.5 Ų54.52%0.01627%0.27CS..Hα-helixtrans-67.5-43.6173.1176.7-93.1000111.2I50 L51 S52 A57 S58 F117 Q147 L207 A208I50-Y54 WeakPolarHBondContact O-CB 3.4Å; I50-Y54 PolarHBondContact O-N 3.33Å; L51-Y54 PolarHBondContact O-N 3.01Å; S52-Y54 PolarHBondContact O-N 2.91Å; Y54-A57 PolarHBondContact O-N 3.19Å; Y54-S58 VanDerWaalsContact O-CB 3.26Å; Y54-S58 WeakPolarHBondContact O-CB 3.35Å; Y54-S58 PolarHBondContact O-N 2.97Å; Y54-F117 HydrophobicContact CD2-CE2 4.34Å; Y54-F117 HydrophobicContact CD2-CZ 4.25Å; Y54-Q147 PolarHBondContact OH-NE2 3.37Å; Y54-L207 HydrophobicContact CE2-CG 4.35Å; Y54-L207 WeakPolarHBondContact OH-CD2 3.45Å; Y54-L207 WeakPolarHBondContact OH-CG 3.37Å; Y54-A208 VanDerWaalsContact CB-CB 3.41Å; Y54-A208 HydrophobicContact CD1-CB 3.79Å; Y54-A208 HydrophobicContact CD2-CB 3.97Å; Y54-A208 HydrophobicContact CG-CB 3.43Å; Y54-A208 VanDerWaalsContact CG-CB 3.43Å
55L93.4Very high88.7Confident64 Ų6447.4 Ų47.434%0.33524%0.24SC..Hα-helixtrans-66.1-40.2176.2-70.4174000111.7L51 S52 A57 S58 M59 D204L51-L55 HydrophobicContact CD1-CD1 3.77Å; L51-L55 HydrophobicContact CD1-CD2 4.47Å; L51-L55 HydrophobicContact CD1-CG 3.86Å; L51-L55 HydrophobicContact CG-CD1 4Å; L51-L55 HydrophobicContact CG-CG 4.46Å; L51-L55 WeakPolarHBondContact O-CB 3.32Å; L51-L55 WeakPolarHBondContact O-CG 3.45Å; L51-L55 PolarHBondContact O-N 2.9Å; S52-L55 PolarHBondContact O-N 2.87Å; L55-A57 VanDerWaalsContact C-N 3.33Å; L55-A57 PolarHBondContact O-N 3.42Å; L55-S58 PolarHBondContact O-N 2.91Å; L55-M59 WeakPolarHBondContact O-CB 3.17Å; L55-M59 VanDerWaalsContact O-CG 3.27Å; L55-M59 WeakPolarHBondContact O-CG 3.41Å; L55-M59 PolarHBondContact O-N 3.05Å; L55-D204 HydrophobicContact CD2-CB 4.21Å
56E91.2Very high87.8Confident108 Ų10848.4 Ų48.451%0.50524%0.243SC..Hα-helixtrans-55.3-48172-170.9-161.3165.900111.3S52 N116S52-E56 PolarHBondContact O-N 3.17Å; E56-N116 PolarHBondContact OE1-ND2 2.83Å; E56-N116 PolarHBondContact OE2-ND2 3.35Å
57A90.3Very high87Confident6 Ų651 Ų515%0.0526%0.261CS..Hα-helixtrans-67.6-43.4176.700000112.3A53 Y54 L55 M59 Y60 F61 A113 F117A53-A57 PolarHBondContact O-N 2.82Å; A53-A57 VanDerWaalsContact O-N 3.13Å; Y54-A57 PolarHBondContact O-N 3.19Å; L55-A57 VanDerWaalsContact C-N 3.33Å; L55-A57 PolarHBondContact O-N 3.42Å; A57-M59 VanDerWaalsContact C-N 3.3Å; A57-M59 PolarHBondContact O-N 3.5Å; A57-Y60 WeakPolarHBondContact O-CB 3.47Å; A57-Y60 PolarHBondContact O-N 3.02Å; A57-Y60 VanDerWaalsContact O-N 3.13Å; A57-F61 VanDerWaalsContact O-CD2 3.23Å; A57-F61 WeakPolarHBondContact O-CD2 3.42Å; A57-A113 HydrophobicContact CB-CB 4.13Å; A57-F117 HydrophobicContact CB-CB 3.98Å
58S88.1Confident86.1Confident3 Ų351.3 Ų51.32%0.02126%0.261CS..Hα-helixtrans-64.9-32.4179.5-165.50000112.1Y54 L55 Y60 F61 K62 Q147Y54-S58 VanDerWaalsContact O-CB 3.26Å; Y54-S58 WeakPolarHBondContact O-CB 3.35Å; Y54-S58 PolarHBondContact O-N 2.97Å; L55-S58 PolarHBondContact O-N 2.91Å; S58-Y60 VanDerWaalsContact C-N 3.27Å; S58-Y60 PolarHBondContact O-N 3.26Å; S58-F61 CarbonylContact O-C 3.56Å; S58-F61 WeakPolarHBondContact O-CA 2.91Å; S58-F61 WeakPolarHBondContact O-CB 3.41Å; S58-F61 PolarHBondContact O-N 3.35Å; S58-K62 WeakPolarHBondContact O-CB 3.33Å; S58-K62 WeakPolarHBondContact O-CG 3.42Å; S58-K62 PolarHBondContact O-N 3.31Å; S58-K62 WeakPolarHBondContact OG-CE 3.4Å; S58-Q147 PolarHBondContact OG-OE1 2.94Å
59M85.2Confident85.1Confident72 Ų7249.9 Ų49.936%0.35525%0.245SC..Hα-helixtrans-60.7-33.1172.8-78.6-62.1-66.200112.6L55 A57 N63L55-M59 WeakPolarHBondContact O-CB 3.17Å; L55-M59 VanDerWaalsContact O-CG 3.27Å; L55-M59 WeakPolarHBondContact O-CG 3.41Å; L55-M59 PolarHBondContact O-N 3.05Å; A57-M59 VanDerWaalsContact C-N 3.3Å; A57-M59 PolarHBondContact O-N 3.5Å; M59-N63 WeakPolarHBondContact O-CB 3.39Å; M59-N63 PolarHBondContact O-N 2.97Å; M59-N63 PolarHBondContact O-ND2 3.39Å; M59-N63 VanDerWaalsContact O-ND2 3.11Å
60Y81.6Confident84.2Confident65 Ų6550.3 Ų50.326%0.25525%0.251SS..Hα-helixtrans-62.6-44.6170.5168.4-88.9000111.4A57 S58 R64 S106 P109 A110 A113A57-Y60 WeakPolarHBondContact O-CB 3.47Å; A57-Y60 PolarHBondContact O-N 3.02Å; A57-Y60 VanDerWaalsContact O-N 3.13Å; S58-Y60 VanDerWaalsContact C-N 3.27Å; S58-Y60 PolarHBondContact O-N 3.26Å; Y60-R64 WeakPolarHBondContact O-CB 3.32Å; Y60-R64 PolarHBondContact O-N 3.18Å; Y60-R64 VanDerWaalsContact O-N 3.14Å; Y60-S106 PolarHBondContact OH-O 3.09Å; Y60-P109 HydrophobicContact CE2-CB 3.72Å; Y60-A110 HydrophobicContact CD1-CB 4.38Å; Y60-A110 VanDerWaalsContact CE1-CA 3.48Å; Y60-A110 HydrophobicContact CE1-CB 3.66Å; Y60-A113 HydrophobicContact CD1-CB 4.38Å; Y60-A113 HydrophobicContact CG-CB 4.43Å
61F79.3Confident83Confident0 Ų057.6 Ų57.60%028%0.278CS..Hα-helixtrans-65.5-50.6177.4-67.7-83.6000111.4A57 S58 N63 R64 S65 A110 A113 I114 L144 Q147 L162A57-F61 VanDerWaalsContact O-CD2 3.23Å; A57-F61 WeakPolarHBondContact O-CD2 3.42Å; S58-F61 CarbonylContact O-C 3.56Å; S58-F61 WeakPolarHBondContact O-CA 2.91Å; S58-F61 WeakPolarHBondContact O-CB 3.41Å; S58-F61 PolarHBondContact O-N 3.35Å; F61-N63 PolarHBondContact O-N 3.41Å; F61-R64 CarbonylContact O-C 3.57Å; F61-R64 PolarHBondContact O-N 3.08Å; F61-R64 VanDerWaalsContact O-N 3.1Å; F61-S65 VanDerWaalsContact O-CB 3.28Å; F61-S65 WeakPolarHBondContact O-CB 3.33Å; F61-S65 PolarHBondContact O-N 3.21Å; F61-S65 PolarHBondContact O-OG 3.17Å; F61-A110 HydrophobicContact CE1-CB 3.73Å; F61-A110 HydrophobicContact CZ-CB 3.75Å; F61-A113 HydrophobicContact CE2-CB 4.48Å; F61-I114 HydrophobicContact CE2-CG1 4.21Å; F61-I114 HydrophobicContact CZ-CD1 4Å; F61-I114 HydrophobicContact CZ-CG1 4.14Å; F61-L144 HydrophobicContact CE1-CD1 3.61Å; F61-L144 HydrophobicContact CZ-CD1 3.81Å; F61-Q147 HydrophobicContact CD1-CB 3.82Å; F61-Q147 HydrophobicContact CD2-CB 3.78Å; F61-Q147 HydrophobicContact CD2-CG 3.79Å; F61-Q147 HydrophobicContact CE1-CB 3.79Å; F61-Q147 HydrophobicContact CE2-CB 3.78Å; F61-Q147 HydrophobicContact CE2-CG 3.62Å; F61-Q147 HydrophobicContact CG-CB 3.82Å; F61-Q147 HydrophobicContact CG-CG 4.34Å; F61-Q147 HydrophobicContact CZ-CB 3.78Å; F61-Q147 HydrophobicContact CZ-CG 4Å; F61-L162 HydrophobicContact CD1-CD1 4.34Å; F61-L162 HydrophobicContact CD1-CD2 4.47Å; F61-L162 HydrophobicContact CE1-CD1 4.09Å
62K78.5Confident81.8Confident76 Ų7657.4 Ų57.433%0.3328%0.276SS..Hα-helixtrans-57.6-45.5178.2-68.3175.6-178.7176.30111.8S58 R64 S65 F66 D204S58-K62 WeakPolarHBondContact O-CB 3.33Å; S58-K62 WeakPolarHBondContact O-CG 3.42Å; S58-K62 PolarHBondContact O-N 3.31Å; S58-K62 WeakPolarHBondContact OG-CE 3.4Å; K62-R64 VanDerWaalsContact C-N 3.31Å; K62-R64 PolarHBondContact O-N 3.45Å; K62-S65 WeakPolarHBondContact CA-OG 3.47Å; K62-S65 PolarHBondContact O-N 3.1Å; K62-S65 PolarHBondContact O-OG 3.38Å; K62-F66 WeakPolarHBondContact O-CB 3.42Å; K62-F66 PolarHBondContact O-N 3.49Å; K62-D204 IonicContact NZ-OD1 3.81Å; K62-D204 IonicContact NZ-OD2 3.21Å; K62-D204 PolarHBondContact NZ-OD2 3.29Å
63N78.8Confident80.7Confident109 Ų10958 Ų5858%0.58327%0.269SS*.Hα-helixtrans-66.3-28176.7-72.5-23.9000113.8M59 F61 P67M59-N63 WeakPolarHBondContact O-CB 3.39Å; M59-N63 PolarHBondContact O-N 2.97Å; M59-N63 PolarHBondContact O-ND2 3.39Å; M59-N63 VanDerWaalsContact O-ND2 3.11Å; F61-N63 PolarHBondContact O-N 3.41Å; N63-P67 VanDerWaalsContact O-CD 3.27Å; N63-P67 WeakPolarHBondContact O-CD 3.14Å
64R74.4Confident79.4Confident101 Ų10162.2 Ų62.238%0.38129%0.291SS..Hα-helixtrans-88-31.5176.4-176.356.6173.9-161-2.2112.2Y60 F61 K62 L68 L162Y60-R64 WeakPolarHBondContact O-CB 3.32Å; Y60-R64 PolarHBondContact O-N 3.18Å; Y60-R64 VanDerWaalsContact O-N 3.14Å; F61-R64 CarbonylContact O-C 3.57Å; F61-R64 PolarHBondContact O-N 3.08Å; F61-R64 VanDerWaalsContact O-N 3.1Å; K62-R64 VanDerWaalsContact C-N 3.31Å; K62-R64 PolarHBondContact O-N 3.45Å; R64-L68 HydrophobicContact CG-CD1 4.4Å; R64-L68 VanDerWaalsContact O-CD1 3.32Å; R64-L68 WeakPolarHBondContact O-CD1 3.26Å; R64-L68 VanDerWaalsContact O-CG 3.31Å; R64-L68 WeakPolarHBondContact O-CG 3.41Å; R64-L162 HydrophobicContact CB-CD2 4.18Å; R64-L162 HydrophobicContact CG-CD2 3.63Å; R64-L162 PolarHBondContact NE-O 3.15Å; R64-L162 PolarHBondContact NH2-O 3.25Å
65S71Confident77.7Confident9 Ų971.3 Ų71.36%0.06333%0.331CS..Hα-helixtrans-80.9-45.5-176.763.40000112.9F61 K62 L68 M69 L151F61-S65 VanDerWaalsContact O-CB 3.28Å; F61-S65 WeakPolarHBondContact O-CB 3.33Å; F61-S65 PolarHBondContact O-N 3.21Å; F61-S65 PolarHBondContact O-OG 3.17Å; K62-S65 WeakPolarHBondContact CA-OG 3.47Å; K62-S65 PolarHBondContact O-N 3.1Å; K62-S65 PolarHBondContact O-OG 3.38Å; S65-L68 WeakPolarHBondContact O-CA 3.2Å; S65-L68 WeakPolarHBondContact O-CB 3.3Å; S65-L68 PolarHBondContact O-N 3.27Å; S65-M69 WeakPolarHBondContact O-CG 3.31Å; S65-M69 PolarHBondContact O-N 2.87Å; S65-L151 VanDerWaalsContact CB-CG 3.46Å
66F73Confident75.8Confident105 Ų10573 Ų7346%0.46135%0.348SS..Hα-helixtrans-53.4-46.7-176.4-173.8-78.8000112.7K62 L68 Q70K62-F66 WeakPolarHBondContact O-CB 3.42Å; K62-F66 PolarHBondContact O-N 3.49Å; F66-L68 VanDerWaalsContact C-N 3.3Å; F66-L68 PolarHBondContact O-N 2.72Å; F66-Q70 VanDerWaalsContact O-CB 3.25Å; F66-Q70 WeakPolarHBondContact O-CB 3.47Å; F66-Q70 PolarHBondContact O-N 2.93Å
67P77.4Confident73.6Confident56 Ų5675.1 Ų75.136%0.36436%0.356SS..Hα-helixtrans-70.7-20.5177.1-18.233.5000114.4N63 R71N63-P67 VanDerWaalsContact O-CD 3.27Å; N63-P67 WeakPolarHBondContact O-CD 3.14Å; P67-R71 WeakPolarHBondContact O-CB 3.22Å; P67-R71 VanDerWaalsContact O-CD 3.23Å; P67-R71 WeakPolarHBondContact O-CD 3.44Å; P67-R71 WeakPolarHBondContact O-CG 3.36Å; P67-R71 PolarHBondContact O-N 2.88Å
68L75.1Confident71.5Confident23 Ų2380.8 Ų80.812%0.1239%0.39CS..Hα-helixtrans-83.3-45.4176.7-67.4175.1000110.9R64 S65 F66 R71 F72 V160 L161R64-L68 HydrophobicContact CG-CD1 4.4Å; R64-L68 VanDerWaalsContact O-CD1 3.32Å; R64-L68 WeakPolarHBondContact O-CD1 3.26Å; R64-L68 VanDerWaalsContact O-CG 3.31Å; R64-L68 WeakPolarHBondContact O-CG 3.41Å; S65-L68 WeakPolarHBondContact O-CA 3.2Å; S65-L68 WeakPolarHBondContact O-CB 3.3Å; S65-L68 PolarHBondContact O-N 3.27Å; F66-L68 VanDerWaalsContact C-N 3.3Å; F66-L68 PolarHBondContact O-N 2.72Å; L68-R71 PolarHBondContact O-N 2.94Å; L68-F72 WeakPolarHBondContact O-CB 3.17Å; L68-F72 PolarHBondContact O-N 2.93Å; L68-V160 HydrophobicContact CB-CG1 3.9Å; L68-L161 WeakPolarHBondContact CD1-O 3.22Å
69M74.3Confident69.6Low29 Ų2985.9 Ų85.914%0.14342%0.416CS..Hα-helixtrans-59.6-46.4172.2-65.8-66.3-68.900110.8S65 R71 F72 H73 L151 D153 V160S65-M69 WeakPolarHBondContact O-CG 3.31Å; S65-M69 PolarHBondContact O-N 2.87Å; M69-R71 PolarHBondContact O-N 2.97Å; M69-F72 WeakPolarHBondContact O-CB 3.47Å; M69-F72 PolarHBondContact O-N 3.24Å; M69-F72 VanDerWaalsContact O-N 3.15Å; M69-H73 PolarHBondContact O-CD2 3.48Å; M69-H73 PolarHBondContact O-N 3.39Å; M69-L151 HydrophobicContact CG-CD2 4.25Å; M69-L151 HydrophobicContact SD-CD2 4.29Å; M69-D153 HydrophobicContact CE-CB 3.89Å; M69-V160 HydrophobicContact SD-CB 4.04Å; M69-V160 HydrophobicContact SD-CG2 3.69Å
70Q75.9Confident67.9Low96 Ų9692.8 Ų92.845%0.44944%0.439SS..Hα-helixtrans-58.1-49.1175.8-176.1179.7-4.100111.6F66 F72 H73 D74F66-Q70 VanDerWaalsContact O-CB 3.25Å; F66-Q70 WeakPolarHBondContact O-CB 3.47Å; F66-Q70 PolarHBondContact O-N 2.93Å; Q70-F72 PolarHBondContact O-N 3.3Å; Q70-H73 PolarHBondContact O-N 2.52Å; Q70-D74 WeakPolarHBondContact CG-OD2 3.39Å; Q70-D74 PolarHBondContact NE2-OD2 3.22Å; Q70-D74 VanDerWaalsContact O-CB 3.32Å; Q70-D74 WeakPolarHBondContact O-CB 3.27Å; Q70-D74 VanDerWaalsContact O-CG 3.25Å; Q70-D74 PolarHBondContact O-N 2.9Å
71R73.3Confident66.4Low154 Ų15494.1 Ų94.158%0.58146%0.455SS*.Hα-helixtrans-61.2-30.7177.1-75.9169.8-176.4-169.8-0.7113.8P67 L68 M69P67-R71 WeakPolarHBondContact O-CB 3.22Å; P67-R71 VanDerWaalsContact O-CD 3.23Å; P67-R71 WeakPolarHBondContact O-CD 3.44Å; P67-R71 WeakPolarHBondContact O-CG 3.36Å; P67-R71 PolarHBondContact O-N 2.88Å; L68-R71 PolarHBondContact O-N 2.94Å; M69-R71 PolarHBondContact O-N 2.97Å
72F70.7Confident64.9Low42 Ų4295 Ų9518%0.18446%0.461CS..Hα-helixtrans-71.6-44.8175.6174.9-106.4000111.3L68 M69 Q70 K75 D153 T156 S158 V160 V166L68-F72 WeakPolarHBondContact O-CB 3.17Å; L68-F72 PolarHBondContact O-N 2.93Å; M69-F72 WeakPolarHBondContact O-CB 3.47Å; M69-F72 PolarHBondContact O-N 3.24Å; M69-F72 VanDerWaalsContact O-N 3.15Å; Q70-F72 PolarHBondContact O-N 3.3Å; F72-K75 PolarHBondContact O-N 3.33Å; F72-D153 HydrophobicContact CE1-CB 4.29Å; F72-T156 HydrophobicContact CE1-CG2 4.13Å; F72-T156 VanDerWaalsContact CE1-OG1 3.31Å; F72-T156 WeakPolarHBondContact CE1-OG1 3.45Å; F72-T156 HydrophobicContact CZ-CG2 4.22Å; F72-T156 WeakPolarHBondContact CZ-OG1 3.45Å; F72-S158 WeakPolarHBondContact CZ-OG 3.47Å; F72-V160 HydrophobicContact CB-CG2 4.46Å; F72-V160 HydrophobicContact CD1-CG2 4.33Å; F72-V160 HydrophobicContact CG-CG2 4.23Å; F72-V166 HydrophobicContact CD2-CG1 4.43Å; F72-V166 HydrophobicContact CD2-CG2 3.97Å; F72-V166 HydrophobicContact CE2-CG1 3.89Å; F72-V166 HydrophobicContact CE2-CG2 4.21Å; F72-V166 HydrophobicContact CZ-CG1 4.38Å
73H72.8Confident63.5Low92 Ų9293.5 Ų93.543%0.42646%0.459SS..Hα-helixtrans-68.1-33.4173.8-62.4-55.6000113.2M69 Q70 K75 D153M69-H73 PolarHBondContact O-CD2 3.48Å; M69-H73 PolarHBondContact O-N 3.39Å; Q70-H73 PolarHBondContact O-N 2.52Å; H73-K75 WeakPolarHBondContact O-CG 3.39Å; H73-K75 PolarHBondContact O-N 2.88Å; H73-D153 IonicContact CE1-OD2 3.55Å
74D68.8Low62.2Low93 Ų9388.9 Ų88.950%0.49744%0.435SS..THydrogen-bonded Turntrans-74.615.1177.2-70.5-17.5000113.8Q70 S76Q70-D74 WeakPolarHBondContact CG-OD2 3.39Å; Q70-D74 PolarHBondContact NE2-OD2 3.22Å; Q70-D74 VanDerWaalsContact O-CB 3.32Å; Q70-D74 WeakPolarHBondContact O-CB 3.27Å; Q70-D74 VanDerWaalsContact O-CG 3.25Å; Q70-D74 PolarHBondContact O-N 2.9Å; D74-S76 PolarHBondContact O-N 3.12Å; D74-S76 PolarHBondContact O-OG 3.02Å
75K58.5Low61.1Low195 Ų19584.7 Ų84.785%0.84842%0.422SS*.THydrogen-bonded Turntrans55.424.4166.7-52.5-173.6-178.7176.10116.5F72 H73F72-K75 PolarHBondContact O-N 3.33Å; H73-K75 WeakPolarHBondContact O-CG 3.39Å; H73-K75 PolarHBondContact O-N 2.88Å
76S52.9Low60.3Low100 Ų10084.3 Ų84.370%0.69942%0.419SS*.  trans-119.635.4-167.8-61.90000114.7D74D74-S76 PolarHBondContact O-N 3.12Å; D74-S76 PolarHBondContact O-OG 3.02Å
77F46.2Very low59.3Low151 Ų15179.4 Ų79.466%0.66240%0.398SS*.  trans-125.3130.4163-116.5-95.6000110.3L79F77-L79 PolarHBondContact O-N 2.97Å
78T45.4Very low58.2Low126 Ų12677.3 Ų77.377%0.77338%0.384SS*.  trans-63.4118.4157.936.60000107.4R80T78-R80 PolarHBondContact O-N 3.46Å
79L49.5Very low57.2Low109 Ų10977.3 Ų77.357%0.57138%0.383SS*.  trans-56.5113.6175.9-70.6167.8000108.6F77 P81F77-L79 PolarHBondContact O-N 2.97Å; L79-P81 VanDerWaalsContact O-CD 3.3Å; L79-P81 WeakPolarHBondContact O-CD 3.36Å
80R48Very low55.6Low218 Ų21877 Ų7782%0.82338%0.383SS*.  trans-91.6102.1150.9-92-177.4166.9159.7-3.5106.1T78 S82T78-R80 PolarHBondContact O-N 3.46Å; R80-S82 PolarHBondContact O-N 2.79Å; R80-S82 VanDerWaalsContact O-N 3.15Å
81P50.4Low53.8Low93 Ų9374.6 Ų74.660%0.60439%0.385SS*.BIsolated β-bridgetrans-55.2121.7159.9-17.530.5000106.7L79 P83L79-P81 VanDerWaalsContact O-CD 3.3Å; L79-P81 WeakPolarHBondContact O-CD 3.36Å; P81-P83 VanDerWaalsContact O-CD 3.3Å; P81-P83 WeakPolarHBondContact O-CD 3.42Å
82S47.5Very low52.1Low17 Ų1771.3 Ų71.312%0.11939%0.385CS..  trans-62.6119173.3166.20000107.8R80 T84 Y167R80-S82 PolarHBondContact O-N 2.79Å; R80-S82 VanDerWaalsContact O-N 3.15Å; S82-T84 PolarHBondContact O-N 3.36Å; S82-T84 PolarHBondContact OG-O 3.39Å; S82-T84 PolarHBondContact OG-OG1 3Å; S82-T84 VanDerWaalsContact OG-OG1 3.13Å; S82-Y167 VanDerWaalsContact CB-CE1 3.47Å; S82-Y167 WeakPolarHBondContact CB-OH 3.31Å; S82-Y167 PolarHBondContact OG-OH 3.03Å
83P50.4Low50.4Low46 Ų4674 Ų7430%0.29941%0.405SS..SBendtrans-73.42.7-176.230.6-34.6000112.7P81 T93P81-P83 VanDerWaalsContact O-CD 3.3Å; P81-P83 WeakPolarHBondContact O-CD 3.42Å; P83-T93 HydrophobicContact CB-CG2 4.01Å; P83-T93 HydrophobicContact CG-CG2 3.93Å
84T51.9Low48.5Very low12 Ų1275.1 Ų75.17%0.07443%0.43CS..SBendtrans-130.7113.1-165.245.50000109.6S82 C86 H89 Y167S82-T84 PolarHBondContact O-N 3.36Å; S82-T84 PolarHBondContact OG-O 3.39Å; S82-T84 PolarHBondContact OG-OG1 3Å; S82-T84 VanDerWaalsContact OG-OG1 3.13Å; T84-C86 PolarHBondContact O-N 3.34Å; T84-H89 WeakPolarHBondContact CB-CD2 3.39Å; T84-H89 VanDerWaalsContact CG2-CD2 3.45Å; T84-H89 WeakPolarHBondContact CG2-CD2 3.25Å; T84-H89 PolarHBondContact OG1-CD2 2.76Å; T84-Y167 PolarHBondContact O-OH 3.5Å
85A51Low46.8Very low13 Ų1375.1 Ų75.111%0.10744%0.443CS..  trans-77.737.9-16300000116.4N183 I187A85-N183 HydrophobicContact CB-CB 3.69Å; A85-N183 WeakPolarHBondContact CB-O 3.32Å; A85-I187 HydrophobicContact CB-CG1 4.27Å
86C53Low45.4Very low0 Ų073 Ų730%044%0.439CS..  trans-125.1130.7176.41790000109.7T84 L88 H89 Y167 H272 L279T84-C86 PolarHBondContact O-N 3.34Å; C86-L88 PolarHBondContact O-N 3.26Å; C86-L88 VanDerWaalsContact O-N 3.08Å; C86-L88 PolarHBondContact SG-N 3.04Å; C86-H89 HydrophobicContact CB-CB 4.11Å; C86-H89 PolarHBondContact O-N 3.23Å; C86-Y167 PolarHBondContact O-OH 3.48Å; C86-H272 PolarHBondContact SG-CD2 3.44Å; C86-L279 HydrophobicContact CB-CD1 4.21Å
87P52.5Low44.5Very low2 Ų275.6 Ų75.61%0.01344%0.444CS..THydrogen-bonded Turntrans-53.6-25.9170.3-27.836.8000113.7Y107 L161 I187 L190P87-Y107 PolarHBondContact O-OH 3.09Å; P87-L161 HydrophobicContact CB-CD2 3.91Å; P87-L161 WeakPolarHBondContact O-CD1 3.4Å; P87-I187 HydrophobicContact CG-CD1 4.13Å; P87-L190 HydrophobicContact CG-CD2 3.7Å
88L53.6Low43.9Very low12 Ų1273.9 Ų73.96%0.06345%0.446CS..THydrogen-bonded Turntrans-104.750178.7-49.2-166.5000112.3C86 L103 Y107 F141 L144 H272C86-L88 PolarHBondContact O-N 3.26Å; C86-L88 VanDerWaalsContact O-N 3.08Å; C86-L88 PolarHBondContact SG-N 3.04Å; L88-L103 HydrophobicContact CB-CD1 4.08Å; L88-L103 VanDerWaalsContact O-CD1 3.27Å; L88-L103 WeakPolarHBondContact O-CD1 3.34Å; L88-Y107 HydrophobicContact CD2-CD1 3.52Å; L88-Y107 HydrophobicContact CD2-CD2 3.85Å; L88-Y107 HydrophobicContact CD2-CE1 3.38Å; L88-Y107 HydrophobicContact CD2-CE2 3.68Å; L88-Y107 HydrophobicContact CD2-CG 3.76Å; L88-Y107 VanDerWaalsContact CD2-CZ 3.45Å; L88-F141 HydrophobicContact CD1-CD2 4.19Å; L88-F141 HydrophobicContact CD1-CE2 4Å; L88-F141 HydrophobicContact CG-CE2 4.3Å; L88-L144 HydrophobicContact CD2-CD2 4.25Å; L88-H272 WeakPolarHBondContact CD1-NE2 3.3Å
89H53.8Low43.5Very low24 Ų2470.8 Ų70.811%0.11143%0.425CS..  trans-134.2140173.5-156.388.3000113.9T84 C86T84-H89 WeakPolarHBondContact CB-CD2 3.39Å; T84-H89 VanDerWaalsContact CG2-CD2 3.45Å; T84-H89 WeakPolarHBondContact CG2-CD2 3.25Å; T84-H89 PolarHBondContact OG1-CD2 2.76Å; C86-H89 HydrophobicContact CB-CB 4.11Å; C86-H89 PolarHBondContact O-N 3.23Å
90S42.2Very low43.1Very low21 Ų2170.6 Ų70.615%0.14742%0.424CS..  trans-89.6105.9168.549.40000108.6S92 N99S90-S92 PolarHBondContact O-N 2.85Å; S90-N99 VanDerWaalsContact CB-O 3.3Å; S90-N99 WeakPolarHBondContact CB-O 3.47Å
91G37.1Very low43.2Very low46 Ų4667 Ų6747%0.47442%0.417SS..  trans-50.6127.6-166.200000115
92S37.3Very low43.1Very low85 Ų8566.2 Ų66.259%0.59441%0.405SS*.  trans-112.4114.1-178.5-174.60000112.1S90S90-S92 PolarHBondContact O-N 2.85Å
93T35.9Very low43.1Very low98 Ų9866.3 Ų66.360%0.60140%0.404SS*.SBendtrans-141.693162.651.40000109.8P83 A95P83-T93 HydrophobicContact CB-CG2 4.01Å; P83-T93 HydrophobicContact CG-CG2 3.93Å; T93-A95 VanDerWaalsContact C-N 3.34Å; T93-A95 PolarHBondContact O-N 3.26Å
94A33.5Very low43.3Very low116 Ų11666.9 Ų66.996%0.95941%0.407SS*.SBendtrans55.223.6155.800000119.6
95A32.1Very low43.8Very low93 Ų9371.3 Ų71.377%0.76943%0.43SS*.  trans-128.5150.4172.700000111.9T93T93-A95 VanDerWaalsContact C-N 3.34Å; T93-A95 PolarHBondContact O-N 3.26Å
96M30Very low44.5Very low152 Ų15271 Ų7175%0.74943%0.427SS*.  trans-65.8141.5-164.5-64.4176.765.900115.4V98M96-V98 VanDerWaalsContact C-N 3.28Å; M96-V98 WeakPolarHBondContact O-CG2 3.43Å; M96-V98 PolarHBondContact O-N 3.17Å
97D32.3Very low45.4Very low154 Ų15471.2 Ų71.282%0.82443%0.428SS*.SBendtrans54.9-1.4145.8-59.9-39.4000122
98V34Very low46.4Very low115 Ų11572.2 Ų72.270%0.69743%0.433SS*.  trans-91.9143.2178.1-112.50000114.5M96M96-V98 VanDerWaalsContact C-N 3.28Å; M96-V98 WeakPolarHBondContact O-CG2 3.43Å; M96-V98 PolarHBondContact O-N 3.17Å
99N38.4Very low47.7Very low60 Ų6073.4 Ų73.432%0.32144%0.442SS..  trans8511.2154.2-59.99.6000121.3S90 E101 E102S90-N99 VanDerWaalsContact CB-O 3.3Å; S90-N99 WeakPolarHBondContact CB-O 3.47Å; N99-E101 PolarHBondContact O-N 3.03Å; N99-E101 VanDerWaalsContact O-N 3.17Å; N99-E102 HydrophobicContact CB-CB 4.34Å; N99-E102 HydrophobicContact CB-CG 3.88Å; N99-E102 WeakPolarHBondContact CB-OE2 3.41Å; N99-E102 PolarHBondContact ND2-OE1 2.98Å; N99-E102 VanDerWaalsContact ND2-OE1 3.07Å; N99-E102 PolarHBondContact ND2-OE2 3.47Å; N99-E102 PolarHBondContact O-N 2.73Å; N99-E102 VanDerWaalsContact O-N 3.13Å
100N41.1Very low49Very low105 Ų10572.3 Ų72.356%0.56144%0.436SS*.Hα-helixtrans-56.7-26158.6-91.3-72.1000112.4T104N100-T104 PolarHBondContact O-OG1 2.91Å
101E48.8Very low50.9Low142 Ų14271.9 Ų71.966%0.66443%0.432SS*.Hα-helixtrans-71.2-33.5176.5-58.6-164.3166.200113.2N99 L103 T104 N105N99-E101 PolarHBondContact O-N 3.03Å; N99-E101 VanDerWaalsContact O-N 3.17Å; E101-L103 VanDerWaalsContact C-N 3.31Å; E101-L103 PolarHBondContact O-N 3.3Å; E101-T104 CarbonylContact O-C 3.58Å; E101-T104 PolarHBondContact O-N 3.44Å; E101-T104 VanDerWaalsContact O-N 3.13Å; E101-N105 VanDerWaalsContact O-CB 3.3Å; E101-N105 WeakPolarHBondContact O-CB 3.47Å; E101-N105 PolarHBondContact O-N 3.12Å; E101-N105 PolarHBondContact O-ND2 3.48Å
102E48.5Very low53.2Low78 Ų7875 Ų7536%0.36443%0.43SS..Hα-helixtrans-63.3-38.5-176.2-71.5-171.3147.700112.3N99 S106N99-E102 HydrophobicContact CB-CB 4.34Å; N99-E102 HydrophobicContact CB-CG 3.88Å; N99-E102 WeakPolarHBondContact CB-OE2 3.41Å; N99-E102 PolarHBondContact ND2-OE1 2.98Å; N99-E102 VanDerWaalsContact ND2-OE1 3.07Å; N99-E102 PolarHBondContact ND2-OE2 3.47Å; N99-E102 PolarHBondContact O-N 2.73Å; N99-E102 VanDerWaalsContact O-N 3.13Å; E102-S106 WeakPolarHBondContact O-CB 3.21Å; E102-S106 PolarHBondContact O-N 3.31Å; E102-S106 PolarHBondContact O-OG 3.46Å
103L48.1Very low55.6Low19 Ų1971.7 Ų71.710%0.09941%0.407CS..Hα-helixtrans-62.9-47.3174.6-168.381.2000110.9L88 E101 N105 S106 Y107 V287L88-L103 HydrophobicContact CB-CD1 4.08Å; L88-L103 VanDerWaalsContact O-CD1 3.27Å; L88-L103 WeakPolarHBondContact O-CD1 3.34Å; E101-L103 VanDerWaalsContact C-N 3.31Å; E101-L103 PolarHBondContact O-N 3.3Å; L103-N105 VanDerWaalsContact C-N 3.34Å; L103-N105 PolarHBondContact O-N 3.17Å; L103-S106 PolarHBondContact O-N 2.89Å; L103-Y107 HydrophobicContact CD1-CD2 3.59Å; L103-Y107 HydrophobicContact CD1-CE2 3.87Å; L103-Y107 HydrophobicContact CG-CD2 4.2Å; L103-Y107 PolarHBondContact O-N 2.88Å; L103-V287 HydrophobicContact CD2-CG1 4.47Å; L103-V287 HydrophobicContact CD2-CG2 3.47Å; L103-V287 VanDerWaalsContact CD2-CG2 3.47Å
104T54.2Low58.2Low57 Ų5767.1 Ų67.135%0.3538%0.379SS..Hα-helixtrans-66.6-36.4-179.1-53.90000111.4N100 E101 L108N100-T104 PolarHBondContact O-OG1 2.91Å; E101-T104 CarbonylContact O-C 3.58Å; E101-T104 PolarHBondContact O-N 3.44Å; E101-T104 VanDerWaalsContact O-N 3.13Å; T104-L108 HydrophobicContact CG2-CD2 4.13Å; T104-L108 WeakPolarHBondContact O-CB 3.43Å; T104-L108 PolarHBondContact O-N 2.9Å
105N63.3Low60.9Low105 Ų10561.6 Ų61.656%0.56133%0.333SS*.Hα-helixtrans-81.4-29.2-179.5-67.3-23.9000112.6E101 L103 P109E101-N105 VanDerWaalsContact O-CB 3.3Å; E101-N105 WeakPolarHBondContact O-CB 3.47Å; E101-N105 PolarHBondContact O-N 3.12Å; E101-N105 PolarHBondContact O-ND2 3.48Å; L103-N105 VanDerWaalsContact C-N 3.34Å; L103-N105 PolarHBondContact O-N 3.17Å; N105-P109 WeakPolarHBondContact O-CD 3.3Å; N105-P109 WeakPolarHBondContact O-CG 3.46Å
106S65.1Low63.7Low6 Ų659.6 Ų59.64%0.04231%0.31CS..Hα-helixtrans-87.7-43.5-178.9-53.50000113.5Y60 E102 L103Y60-S106 PolarHBondContact OH-O 3.09Å; E102-S106 WeakPolarHBondContact O-CB 3.21Å; E102-S106 PolarHBondContact O-N 3.31Å; E102-S106 PolarHBondContact O-OG 3.46Å; L103-S106 PolarHBondContact O-N 2.89Å
107Y71.3Confident66.8Low6 Ų652.4 Ų52.42%0.02427%0.274CS..Hα-helixtrans-97.1-24.7-172.9-71.4-71.5000114.6P87 L88 L103 A110 I111 L144 L162P87-Y107 PolarHBondContact O-OH 3.09Å; L88-Y107 HydrophobicContact CD2-CD1 3.52Å; L88-Y107 HydrophobicContact CD2-CD2 3.85Å; L88-Y107 HydrophobicContact CD2-CE1 3.38Å; L88-Y107 HydrophobicContact CD2-CE2 3.68Å; L88-Y107 HydrophobicContact CD2-CG 3.76Å; L88-Y107 VanDerWaalsContact CD2-CZ 3.45Å; L103-Y107 HydrophobicContact CD1-CD2 3.59Å; L103-Y107 HydrophobicContact CD1-CE2 3.87Å; L103-Y107 HydrophobicContact CG-CD2 4.2Å; L103-Y107 PolarHBondContact O-N 2.88Å; Y107-A110 WeakPolarHBondContact O-CB 3.49Å; Y107-A110 PolarHBondContact O-N 3.46Å; Y107-I111 WeakPolarHBondContact O-CD1 3.42Å; Y107-I111 VanDerWaalsContact O-CG1 3.3Å; Y107-I111 WeakPolarHBondContact O-CG1 3.1Å; Y107-I111 PolarHBondContact O-N 3.25Å; Y107-L144 HydrophobicContact CD1-CD2 4.32Å; Y107-L162 HydrophobicContact CD1-CB 4.44Å; Y107-L162 HydrophobicContact CD1-CD1 3.78Å; Y107-L162 HydrophobicContact CE1-CB 3.97Å; Y107-L162 HydrophobicContact CE1-CD1 3.72Å; Y107-L162 HydrophobicContact CE1-CG 4.02Å
108L74.2Confident69.7Low23 Ų2345 Ų4512%0.1224%0.235CC..Hα-helixtrans-64.6-37.4179.4-156.470.2000113.4T104 R112 C290 V294T104-L108 HydrophobicContact CG2-CD2 4.13Å; T104-L108 WeakPolarHBondContact O-CB 3.43Å; T104-L108 PolarHBondContact O-N 2.9Å; L108-R112 WeakPolarHBondContact O-CG 3.1Å; L108-R112 PolarHBondContact O-N 2.95Å; L108-C290 HydrophobicContact CD1-CB 3.96Å; L108-V294 HydrophobicContact CD1-CB 4.44Å; L108-V294 HydrophobicContact CD1-CG2 3.5Å; L108-V294 HydrophobicContact CD2-CG2 4.15Å; L108-V294 HydrophobicContact CG-CG2 3.81Å
109P80.6Confident72.5Confident37 Ų3740.5 Ų40.524%0.2421%0.206CC..Hα-helixtrans-70-35.9172.8-15.230.6000112.6Y60 N105 I111 R112 A113Y60-P109 HydrophobicContact CE2-CB 3.72Å; N105-P109 WeakPolarHBondContact O-CD 3.3Å; N105-P109 WeakPolarHBondContact O-CG 3.46Å; P109-I111 VanDerWaalsContact C-N 3.34Å; P109-I111 PolarHBondContact O-N 2.84Å; P109-R112 WeakPolarHBondContact O-CB 3.46Å; P109-R112 PolarHBondContact O-N 2.98Å; P109-A113 PolarHBondContact O-N 3.28Å
110A80.2Confident75.2Confident0 Ų040.1 Ų40.10%020%0.204CC..Hα-helixtrans-58.8-44.7172.600000112.1Y60 F61 Y107 A113 I114 L144 L162Y60-A110 HydrophobicContact CD1-CB 4.38Å; Y60-A110 VanDerWaalsContact CE1-CA 3.48Å; Y60-A110 HydrophobicContact CE1-CB 3.66Å; F61-A110 HydrophobicContact CE1-CB 3.73Å; F61-A110 HydrophobicContact CZ-CB 3.75Å; Y107-A110 WeakPolarHBondContact O-CB 3.49Å; Y107-A110 PolarHBondContact O-N 3.46Å; A110-A113 WeakPolarHBondContact O-CB 3.44Å; A110-A113 PolarHBondContact O-N 2.98Å; A110-I114 WeakPolarHBondContact O-CG1 3.4Å; A110-I114 PolarHBondContact O-N 2.95Å; A110-I114 VanDerWaalsContact O-N 3.12Å; A110-L144 HydrophobicContact CB-CD1 4.13Å; A110-L162 HydrophobicContact CB-CD1 3.72Å
111I82.8Confident77.7Confident12 Ų1235.2 Ų35.26%0.06218%0.178CC..Hα-helixtrans-63.2-43.3175-71.5161.9000110.8Y107 P109 A113 I114 V115 V140 V291 V294Y107-I111 WeakPolarHBondContact O-CD1 3.42Å; Y107-I111 VanDerWaalsContact O-CG1 3.3Å; Y107-I111 WeakPolarHBondContact O-CG1 3.1Å; Y107-I111 PolarHBondContact O-N 3.25Å; P109-I111 VanDerWaalsContact C-N 3.34Å; P109-I111 PolarHBondContact O-N 2.84Å; I111-A113 VanDerWaalsContact C-N 3.31Å; I111-A113 PolarHBondContact O-N 3.18Å; I111-I114 PolarHBondContact O-N 3.29Å; I111-V115 HydrophobicContact CG2-CG2 4.41Å; I111-V115 WeakPolarHBondContact O-CB 3.5Å; I111-V115 WeakPolarHBondContact O-CG2 3.39Å; I111-V115 PolarHBondContact O-N 2.78Å; I111-V140 HydrophobicContact CG1-CG1 4.25Å; I111-V140 HydrophobicContact CG2-CG1 4.19Å; I111-V291 HydrophobicContact CD1-CG2 3.93Å; I111-V294 HydrophobicContact CG2-CG1 4.24Å
112R85.1Confident79.9Confident113 Ų11329.3 Ų29.343%0.42615%0.152SC..Hα-helixtrans-60-39.4173.9-72.3177.2-170.4123.5-4.3112.3L108 P109 V115 N116 V294L108-R112 WeakPolarHBondContact O-CG 3.1Å; L108-R112 PolarHBondContact O-N 2.95Å; P109-R112 WeakPolarHBondContact O-CB 3.46Å; P109-R112 PolarHBondContact O-N 2.98Å; R112-V115 CarbonylContact O-C 3.6Å; R112-V115 PolarHBondContact O-N 3.38Å; R112-N116 WeakPolarHBondContact O-CB 3.21Å; R112-N116 PolarHBondContact O-N 3Å; R112-V294 HydrophobicContact CG-CG1 3.87Å
113A88Confident82Confident15 Ų1526 Ų2612%0.12414%0.138CC..Hα-helixtrans-62.5-46.4177.300000111.8A57 Y60 F61 P109 A110 I111 V115 N116 F117A57-A113 HydrophobicContact CB-CB 4.13Å; Y60-A113 HydrophobicContact CD1-CB 4.38Å; Y60-A113 HydrophobicContact CG-CB 4.43Å; F61-A113 HydrophobicContact CE2-CB 4.48Å; P109-A113 PolarHBondContact O-N 3.28Å; A110-A113 WeakPolarHBondContact O-CB 3.44Å; A110-A113 PolarHBondContact O-N 2.98Å; I111-A113 VanDerWaalsContact C-N 3.31Å; I111-A113 PolarHBondContact O-N 3.18Å; A113-V115 VanDerWaalsContact C-N 3.32Å; A113-V115 PolarHBondContact O-N 2.97Å; A113-N116 PolarHBondContact O-N 3.48Å; A113-F117 PolarHBondContact O-N 2.95Å
114I90.2Very high84.1Confident1 Ų125.1 Ų25.11%0.00513%0.133CC..Hα-helixtrans-64.1-37.8175.6-62.5168.1000111.4F61 A110 I111 F117 A118 V140 V143 L144 L215F61-I114 HydrophobicContact CE2-CG1 4.21Å; F61-I114 HydrophobicContact CZ-CD1 4Å; F61-I114 HydrophobicContact CZ-CG1 4.14Å; A110-I114 WeakPolarHBondContact O-CG1 3.4Å; A110-I114 PolarHBondContact O-N 2.95Å; A110-I114 VanDerWaalsContact O-N 3.12Å; I111-I114 PolarHBondContact O-N 3.29Å; I114-F117 PolarHBondContact O-N 2.77Å; I114-A118 WeakPolarHBondContact O-CB 3.35Å; I114-A118 PolarHBondContact O-N 3.2Å; I114-V140 HydrophobicContact CG2-CB 4.44Å; I114-V140 HydrophobicContact CG2-CG1 4.33Å; I114-V140 HydrophobicContact CG2-CG2 4.07Å; I114-V143 HydrophobicContact CD1-CG1 4.36Å; I114-V143 HydrophobicContact CG1-CG1 4.25Å; I114-V143 HydrophobicContact CG2-CB 4.07Å; I114-V143 HydrophobicContact CG2-CG1 3.93Å; I114-L144 HydrophobicContact CD1-CB 3.7Å; I114-L144 HydrophobicContact CD1-CD1 3.95Å; I114-L144 HydrophobicContact CD1-CG 4.42Å; I114-L215 HydrophobicContact CG2-CD2 4.46Å
115V90.3Very high85.9Confident0 Ų024.6 Ų24.60%013%0.128CC..Hα-helixtrans-68.1-34.4174.81700000111.8I111 R112 A113 K119 L136 V140 L295 D298I111-V115 HydrophobicContact CG2-CG2 4.41Å; I111-V115 WeakPolarHBondContact O-CB 3.5Å; I111-V115 WeakPolarHBondContact O-CG2 3.39Å; I111-V115 PolarHBondContact O-N 2.78Å; R112-V115 CarbonylContact O-C 3.6Å; R112-V115 PolarHBondContact O-N 3.38Å; A113-V115 VanDerWaalsContact C-N 3.32Å; A113-V115 PolarHBondContact O-N 2.97Å; V115-K119 HydrophobicContact CG1-CD 4.33Å; V115-K119 WeakPolarHBondContact O-CD 3.43Å; V115-K119 WeakPolarHBondContact O-CG 3.25Å; V115-K119 PolarHBondContact O-N 3.32Å; V115-K119 VanDerWaalsContact O-N 3.11Å; V115-L136 HydrophobicContact CG2-CD2 4.26Å; V115-V140 HydrophobicContact CG2-CG2 4.2Å; V115-L295 HydrophobicContact CG1-CD2 4.45Å; V115-L295 HydrophobicContact CG2-CD2 3.44Å; V115-L295 VanDerWaalsContact CG2-CD2 3.44Å; V115-D298 HydrophobicContact CG1-CB 4.28Å
116N91Very high87.2Confident51 Ų5120.8 Ų20.827%0.27311%0.109SC..Hα-helixtrans-68.3-46.4174-157.455.8000111.4E56 R112 A113 A118 K119 N120E56-N116 PolarHBondContact OE1-ND2 2.83Å; E56-N116 PolarHBondContact OE2-ND2 3.35Å; R112-N116 WeakPolarHBondContact O-CB 3.21Å; R112-N116 PolarHBondContact O-N 3Å; A113-N116 PolarHBondContact O-N 3.48Å; N116-A118 VanDerWaalsContact C-N 3.34Å; N116-A118 PolarHBondContact O-N 3.04Å; N116-K119 WeakPolarHBondContact O-CB 3.23Å; N116-K119 PolarHBondContact O-N 3.32Å; N116-N120 PolarHBondContact O-N 3.36Å; N116-N120 VanDerWaalsContact O-N 3.14Å; N116-N120 PolarHBondContact O-ND2 3.06Å
117F94.6Very high88.4Confident1 Ų120.7 Ų20.70%0.00411%0.108CC..Hα-helixtrans-50.6-53170.9163.5-120.9000111.3I50 A53 Y54 A57 A113 I114 K119 N120 I121 A212 L215I50-F117 HydrophobicContact CG2-CE2 4.17Å; A53-F117 HydrophobicContact CB-CD2 4.02Å; Y54-F117 HydrophobicContact CD2-CE2 4.34Å; Y54-F117 HydrophobicContact CD2-CZ 4.25Å; A57-F117 HydrophobicContact CB-CB 3.98Å; A113-F117 PolarHBondContact O-N 2.95Å; I114-F117 PolarHBondContact O-N 2.77Å; F117-K119 PolarHBondContact O-N 3.24Å; F117-N120 PolarHBondContact O-N 2.97Å; F117-I121 HydrophobicContact CE1-CD1 4.4Å; F117-I121 HydrophobicContact CE2-CG1 4.31Å; F117-I121 HydrophobicContact CZ-CD1 4.22Å; F117-I121 HydrophobicContact CZ-CG1 4.47Å; F117-I121 PolarHBondContact O-N 3.3Å; F117-A212 HydrophobicContact CZ-CB 4.25Å; F117-L215 HydrophobicContact CD1-CD1 3.75Å; F117-L215 HydrophobicContact CE1-CD1 3.54Å
118A94.8Very high89.3Confident0 Ų021.2 Ų21.20%011%0.112CC..Hα-helixtrans-59.4-41.5-179.900000113.9I114 N116 N120 I121 F124 L136 L215I114-A118 WeakPolarHBondContact O-CB 3.35Å; I114-A118 PolarHBondContact O-N 3.2Å; N116-A118 VanDerWaalsContact C-N 3.34Å; N116-A118 PolarHBondContact O-N 3.04Å; A118-N120 PolarHBondContact O-N 3.02Å; A118-I121 WeakPolarHBondContact O-CB 3.41Å; A118-I121 PolarHBondContact O-N 3.4Å; A118-F124 HydrophobicContact CB-CE1 4.43Å; A118-F124 WeakPolarHBondContact O-CB 3.44Å; A118-F124 VanDerWaalsContact O-CD1 3.23Å; A118-F124 WeakPolarHBondContact O-CD1 3.45Å; A118-F124 WeakPolarHBondContact O-CG 3.37Å; A118-L136 HydrophobicContact CB-CD2 3.61Å; A118-L215 HydrophobicContact CB-CD1 3.94Å
119K92.2Very high89.9Confident20 Ų2023 Ų239%0.08712%0.12CC..Hα-helixtrans-61.2-31.8175.7-72.7162173.7-172.80113V115 N116 F117 L125 D298 M302V115-K119 HydrophobicContact CG1-CD 4.33Å; V115-K119 WeakPolarHBondContact O-CD 3.43Å; V115-K119 WeakPolarHBondContact O-CG 3.25Å; V115-K119 PolarHBondContact O-N 3.32Å; V115-K119 VanDerWaalsContact O-N 3.11Å; N116-K119 WeakPolarHBondContact O-CB 3.23Å; N116-K119 PolarHBondContact O-N 3.32Å; F117-K119 PolarHBondContact O-N 3.24Å; K119-L125 HydrophobicContact CB-CD2 4.43Å; K119-L125 HydrophobicContact CG-CD2 4.33Å; K119-D298 VanDerWaalsContact CE-O 3.27Å; K119-D298 WeakPolarHBondContact CE-O 3.43Å; K119-D298 PolarHBondContact NZ-O 3.46Å; K119-M302 HydrophobicContact CB-CE 4.26Å; K119-M302 HydrophobicContact CD-CE 4.12Å; K119-M302 HydrophobicContact CD-CG 3.86Å; K119-M302 HydrophobicContact CD-SD 4.28Å; K119-M302 HydrophobicContact CG-CE 4.4Å
120N93.9Very high90.2Very high52 Ų5225.5 Ų25.528%0.27813%0.128SC..Hα-helixtrans-88.2-5-177.4-69.5-17.8000113.4A53 N116 F117 A118 P122A53-N120 HydrophobicContact CB-CB 3.44Å; A53-N120 VanDerWaalsContact CB-CB 3.44Å; N116-N120 PolarHBondContact O-N 3.36Å; N116-N120 VanDerWaalsContact O-N 3.14Å; N116-N120 PolarHBondContact O-ND2 3.06Å; F117-N120 PolarHBondContact O-N 2.97Å; A118-N120 PolarHBondContact O-N 3.02Å; N120-P122 VanDerWaalsContact O-CD 3.27Å; N120-P122 WeakPolarHBondContact O-CD 3.3Å
121I95.5Very high90.8Very high2 Ų225.5 Ų25.51%0.0113%0.128CC..SBendtrans-67.4117168.6-57.2173.4000108.5I50 F117 A118 G123 F124 A212 L215 I216 F232I50-I121 HydrophobicContact CD1-CG2 4.08Å; I50-I121 HydrophobicContact CG1-CB 4.48Å; I50-I121 HydrophobicContact CG1-CG1 4.38Å; I50-I121 HydrophobicContact CG1-CG2 4.06Å; F117-I121 HydrophobicContact CE1-CD1 4.4Å; F117-I121 HydrophobicContact CE2-CG1 4.31Å; F117-I121 HydrophobicContact CZ-CD1 4.22Å; F117-I121 HydrophobicContact CZ-CG1 4.47Å; F117-I121 PolarHBondContact O-N 3.3Å; A118-I121 WeakPolarHBondContact O-CB 3.41Å; A118-I121 PolarHBondContact O-N 3.4Å; I121-G123 PolarHBondContact O-N 2.77Å; I121-F124 HydrophobicContact CB-CB 4.31Å; I121-F124 WeakPolarHBondContact O-CB 3.38Å; I121-F124 PolarHBondContact O-N 2.93Å; I121-F124 VanDerWaalsContact O-N 3.08Å; I121-A212 HydrophobicContact CD1-CB 3.75Å; I121-A212 HydrophobicContact CG1-CB 4.48Å; I121-L215 HydrophobicContact CD1-CD1 4.18Å; I121-I216 HydrophobicContact CD1-CG1 4.49Å; I121-F232 HydrophobicContact CG2-CE2 4.43Å; I121-F232 HydrophobicContact CG2-CZ 3.87Å
122P93.5Very high91.3Very high18 Ų1825 Ų2512%0.11713%0.126CC..THydrogen-bonded Turntrans-59127.4179.9-27.439.4000111.3I39 R49 N120 F232I39-P122 HydrophobicContact CG2-CB 3.7Å; R49-P122 HydrophobicContact CB-CG 3.55Å; R49-P122 HydrophobicContact CG-CG 3.77Å; N120-P122 VanDerWaalsContact O-CD 3.27Å; N120-P122 WeakPolarHBondContact O-CD 3.3Å; P122-F232 WeakPolarHBondContact O-CE2 3.18Å; P122-F232 WeakPolarHBondContact O-CZ 3.46Å
123G92.3Very high91.5Very high7 Ų720.4 Ų20.47%0.07211%0.109CC..THydrogen-bonded Turntrans101.8-27.4-17500000115I121 L125 V126I121-G123 PolarHBondContact O-N 2.77Å; G123-L125 VanDerWaalsContact C-N 3.33Å; G123-L125 PolarHBondContact O-N 3.26Å; G123-V126 VanDerWaalsContact O-CB 3.3Å; G123-V126 WeakPolarHBondContact O-CB 3.39Å; G123-V126 PolarHBondContact O-N 3.26Å
124F93.6Very high91.6Very high1 Ų121.3 Ų21.30%0.00411%0.112CC..G310 helixtrans-60.3-39.9-175.3180-107.6000113.5A118 I121 V126 L127 Q132 L135 L136 I216 F232A118-F124 HydrophobicContact CB-CE1 4.43Å; A118-F124 WeakPolarHBondContact O-CB 3.44Å; A118-F124 VanDerWaalsContact O-CD1 3.23Å; A118-F124 WeakPolarHBondContact O-CD1 3.45Å; A118-F124 WeakPolarHBondContact O-CG 3.37Å; I121-F124 HydrophobicContact CB-CB 4.31Å; I121-F124 WeakPolarHBondContact O-CB 3.38Å; I121-F124 PolarHBondContact O-N 2.93Å; I121-F124 VanDerWaalsContact O-N 3.08Å; F124-V126 PolarHBondContact O-N 3.27Å; F124-L127 HydrophobicContact CD2-CD1 3.8Å; F124-L127 HydrophobicContact CE2-CD1 4.19Å; F124-L127 WeakPolarHBondContact O-CB 3.42Å; F124-L127 WeakPolarHBondContact O-CG 3.43Å; F124-L127 PolarHBondContact O-N 3.43Å; F124-Q132 HydrophobicContact CD1-CG 4.47Å; F124-Q132 HydrophobicContact CE1-CB 4.09Å; F124-Q132 HydrophobicContact CE1-CG 3.97Å; F124-Q132 HydrophobicContact CE2-CB 4.25Å; F124-Q132 HydrophobicContact CE2-CG 4.14Å; F124-Q132 HydrophobicContact CZ-CB 3.64Å; F124-Q132 HydrophobicContact CZ-CG 3.79Å; F124-Q132 PolarHBondContact O-NE2 3.27Å; F124-L135 HydrophobicContact CE2-CB 4.4Å; F124-L135 HydrophobicContact CE2-CD1 4.05Å; F124-L136 HydrophobicContact CE1-CD1 3.93Å; F124-L136 HydrophobicContact CZ-CD1 3.62Å; F124-L136 HydrophobicContact CZ-CG 3.86Å; F124-I216 HydrophobicContact CD2-CD1 3.42Å; F124-I216 VanDerWaalsContact CD2-CD1 3.42Å; F124-I216 HydrophobicContact CE2-CD1 3.96Å; F124-I216 HydrophobicContact CG-CD1 4.36Å; F124-F232 HydrophobicContact CB-CE1 4.35Å
125L91.3Very high91.7Very high46 Ų4621.2 Ų21.224%0.24111%0.111CC..G310 helixtrans-73.5-5.2178.5-59.9178.3000113.9K119 G123 M302 R306K119-L125 HydrophobicContact CB-CD2 4.43Å; K119-L125 HydrophobicContact CG-CD2 4.33Å; G123-L125 VanDerWaalsContact C-N 3.33Å; G123-L125 PolarHBondContact O-N 3.26Å; L125-M302 HydrophobicContact CD1-CE 4.04Å; L125-R306 PolarHBondContact O-NH1 3.35Å
126V90.2Very high91.8Very high25 Ų2521.3 Ų21.315%0.15211%0.112CC..G310 helixtrans-83.1-26.9174.1-172.40000111.4Q32 N35 L36 I39 G123 F124Q32-V126 HydrophobicContact CB-CG1 4.47Å; N35-V126 HydrophobicContact CB-CG1 4.05Å; L36-V126 HydrophobicContact CB-CG1 4.27Å; I39-V126 HydrophobicContact CD1-CG2 3.75Å; G123-V126 VanDerWaalsContact O-CB 3.3Å; G123-V126 WeakPolarHBondContact O-CB 3.39Å; G123-V126 PolarHBondContact O-N 3.26Å; F124-V126 PolarHBondContact O-N 3.27Å
127L91.1Very high91.4Very high5 Ų522.8 Ų22.83%0.02612%0.116CC..SBendtrans-60.8155.3177.7-52.4-179.4000111.7L36 F124 Q132 L135 L228 V229 F232L36-L127 HydrophobicContact CD2-CD2 4.5Å; F124-L127 HydrophobicContact CD2-CD1 3.8Å; F124-L127 HydrophobicContact CE2-CD1 4.19Å; F124-L127 WeakPolarHBondContact O-CB 3.42Å; F124-L127 WeakPolarHBondContact O-CG 3.43Å; F124-L127 PolarHBondContact O-N 3.43Å; L127-Q132 HydrophobicContact CB-CG 4.05Å; L127-Q132 PolarHBondContact O-NE2 3.33Å; L127-L135 HydrophobicContact CD1-CD1 3.55Å; L127-L228 HydrophobicContact CD2-CD2 3.24Å; L127-V229 HydrophobicContact CD2-CG2 4.42Å; L127-F232 HydrophobicContact CD1-CD1 4.34Å; L127-F232 HydrophobicContact CD1-CE1 4.37Å; L127-F232 HydrophobicContact CD2-CD1 4.31Å
128P89.2Confident91Very high17 Ų1723.9 Ų23.911%0.1113%0.125CC..  trans-53.5149.7170.4-26.134.5000113.3E130 D131 Q132 K224 N225P128-E130 VanDerWaalsContact C-N 3.27Å; P128-E130 PolarHBondContact O-N 3.47Å; P128-D131 HydrophobicContact CB-CB 4.15Å; P128-D131 HydrophobicContact CG-CB 4.36Å; P128-D131 PolarHBondContact O-N 3.47Å; P128-D131 VanDerWaalsContact O-N 3.16Å; P128-Q132 WeakPolarHBondContact O-CG 3.35Å; P128-Q132 PolarHBondContact O-N 3.22Å; P128-K224 HydrophobicContact CB-CD 4.49Å; P128-N225 WeakPolarHBondContact CG-ND2 3.49Å
129E86.7Confident90.7Very high60 Ų6023.9 Ų23.928%0.2813%0.125SC..Hα-helixtrans-58.2-40.6178.5-170.7-174.1157.900111.6Q132 I133 I299 R300E129-Q132 PolarHBondContact O-N 3.39Å; E129-I133 HydrophobicContact CG-CD1 3.99Å; E129-I133 VanDerWaalsContact O-CG1 3.27Å; E129-I133 WeakPolarHBondContact O-CG1 3.27Å; E129-I133 PolarHBondContact O-N 2.99Å; E129-I299 HydrophobicContact CG-CG2 3.85Å; E129-R300 WeakPolarHBondContact OE1-CG 3.47Å
130E88.6Confident90.5Very high89 Ų8923.2 Ų23.242%0.41612%0.122SC..Hα-helixtrans-68.5-35.8179.7-56.193.8147.100112.1P128 I133 I134 K224P128-E130 VanDerWaalsContact C-N 3.27Å; P128-E130 PolarHBondContact O-N 3.47Å; E130-I133 PolarHBondContact O-N 3.38Å; E130-I134 WeakPolarHBondContact O-CB 3.38Å; E130-I134 WeakPolarHBondContact O-CD1 3.49Å; E130-I134 WeakPolarHBondContact O-CG1 3.28Å; E130-I134 PolarHBondContact O-N 3.42Å; E130-K224 IonicContact OE1-NZ 2.77Å; E130-K224 PolarHBondContact OE1-NZ 2.72Å; E130-K224 IonicContact OE2-NZ 2.81Å; E130-K224 PolarHBondContact OE2-NZ 3.47Å
131D92.6Very high90Very high0 Ų021.7 Ų21.70%011%0.113CC..Hα-helixtrans-68.5-44.1176.1-68.94.5000110.4P128 I133 I134 L135 L223 K224 N225P128-D131 HydrophobicContact CB-CB 4.15Å; P128-D131 HydrophobicContact CG-CB 4.36Å; P128-D131 PolarHBondContact O-N 3.47Å; P128-D131 VanDerWaalsContact O-N 3.16Å; D131-I133 VanDerWaalsContact C-N 3.28Å; D131-I133 PolarHBondContact O-N 3.28Å; D131-I134 PolarHBondContact O-N 3.04Å; D131-I134 VanDerWaalsContact O-N 3.16Å; D131-L135 WeakPolarHBondContact O-CB 3.42Å; D131-L135 VanDerWaalsContact O-CG 3.25Å; D131-L135 WeakPolarHBondContact O-CG 3.39Å; D131-L135 PolarHBondContact O-N 2.81Å; D131-L223 HydrophobicContact CB-CD2 3.85Å; D131-K224 WeakPolarHBondContact OD1-CB 3.44Å; D131-K224 PolarHBondContact OD1-N 2.99Å; D131-K224 PolarHBondContact OD2-N 3.22Å; D131-N225 PolarHBondContact OD2-N 2.89Å
132Q93.1Very high89.7Confident2 Ų221.6 Ų21.61%0.00911%0.113CC..Hα-helixtrans-54.4-44171.3-67.517324.800111.5F124 L127 P128 E129 L136F124-Q132 HydrophobicContact CD1-CG 4.47Å; F124-Q132 HydrophobicContact CE1-CB 4.09Å; F124-Q132 HydrophobicContact CE1-CG 3.97Å; F124-Q132 HydrophobicContact CE2-CB 4.25Å; F124-Q132 HydrophobicContact CE2-CG 4.14Å; F124-Q132 HydrophobicContact CZ-CB 3.64Å; F124-Q132 HydrophobicContact CZ-CG 3.79Å; F124-Q132 PolarHBondContact O-NE2 3.27Å; L127-Q132 HydrophobicContact CB-CG 4.05Å; L127-Q132 PolarHBondContact O-NE2 3.33Å; P128-Q132 WeakPolarHBondContact O-CG 3.35Å; P128-Q132 PolarHBondContact O-N 3.22Å; E129-Q132 PolarHBondContact O-N 3.39Å; Q132-L136 WeakPolarHBondContact O-CB 3.38Å; Q132-L136 WeakPolarHBondContact O-CG 3.43Å; Q132-L136 PolarHBondContact O-N 3.16Å; Q132-L136 VanDerWaalsContact O-N 3.15Å
133I88.7Confident89.6Confident17 Ų1720.8 Ų20.89%0.08711%0.107CC..Hα-helixtrans-66.3-41.2177.9-71.9165.4000111.7E129 E130 D131 K137 K296 I299E129-I133 HydrophobicContact CG-CD1 3.99Å; E129-I133 VanDerWaalsContact O-CG1 3.27Å; E129-I133 WeakPolarHBondContact O-CG1 3.27Å; E129-I133 PolarHBondContact O-N 2.99Å; E130-I133 PolarHBondContact O-N 3.38Å; D131-I133 VanDerWaalsContact C-N 3.28Å; D131-I133 PolarHBondContact O-N 3.28Å; I133-K137 HydrophobicContact CG2-CD 3.96Å; I133-K137 HydrophobicContact CG2-CG 4.31Å; I133-K137 VanDerWaalsContact O-CB 3.28Å; I133-K137 WeakPolarHBondContact O-CB 3.18Å; I133-K137 WeakPolarHBondContact O-CG 3.3Å; I133-K137 PolarHBondContact O-N 3.32Å; I133-K296 HydrophobicContact CD1-CG 4.45Å; I133-I299 HydrophobicContact CG1-CD1 3.59Å
134I90.1Very high89.3Confident33 Ų3320.5 Ų20.517%0.16910%0.104CC..Hα-helixtrans-69.2-47.1-178.7-72.5164.8000111.1E130 D131 L136 K137 A138 R220 G222 L223E130-I134 WeakPolarHBondContact O-CB 3.38Å; E130-I134 WeakPolarHBondContact O-CD1 3.49Å; E130-I134 WeakPolarHBondContact O-CG1 3.28Å; E130-I134 PolarHBondContact O-N 3.42Å; D131-I134 PolarHBondContact O-N 3.04Å; D131-I134 VanDerWaalsContact O-N 3.16Å; I134-L136 PolarHBondContact O-N 2.9Å; I134-K137 PolarHBondContact O-N 3.19Å; I134-A138 PolarHBondContact O-N 2.77Å; I134-R220 HydrophobicContact CG2-CB 3.79Å; I134-G222 WeakPolarHBondContact CD1-O 3.29Å; I134-L223 HydrophobicContact CB-CD2 3.94Å; I134-L223 HydrophobicContact CG2-CD2 3.67Å; I134-L223 HydrophobicContact CG2-CG 4.04Å
135L93.4Very high88.7Confident0 Ų020.6 Ų20.60%011%0.105CC..Hα-helixtrans-56.7-49.4176.2-68.3175.8000111.1F124 L127 D131 A138 G139 L215 I216 S217 R220 L223 V229F124-L135 HydrophobicContact CE2-CB 4.4Å; F124-L135 HydrophobicContact CE2-CD1 4.05Å; L127-L135 HydrophobicContact CD1-CD1 3.55Å; D131-L135 WeakPolarHBondContact O-CB 3.42Å; D131-L135 VanDerWaalsContact O-CG 3.25Å; D131-L135 WeakPolarHBondContact O-CG 3.39Å; D131-L135 PolarHBondContact O-N 2.81Å; L135-A138 PolarHBondContact O-N 2.67Å; L135-G139 PolarHBondContact O-N 2.99Å; L135-L215 WeakPolarHBondContact CD2-O 3.24Å; L135-I216 HydrophobicContact CD1-CD1 4.31Å; L135-S217 WeakPolarHBondContact CD2-O 3.41Å; L135-R220 HydrophobicContact CD2-CG 4.07Å; L135-L223 HydrophobicContact CD2-CD1 4.12Å; L135-L223 HydrophobicContact CD2-CD2 4.04Å; L135-L223 HydrophobicContact CG-CD2 4.01Å; L135-V229 HydrophobicContact CD1-CG1 4.3Å; L135-V229 HydrophobicContact CD1-CG2 4.34Å; L135-V229 HydrophobicContact CD2-CG1 3.99Å
136L91.1Very high88.6Confident1 Ų118.4 Ų18.41%0.0059%0.094CC..Hα-helixtrans-68.5-42.4-179.8-77167.6000113.4V115 A118 F124 Q132 I134 A138 V140 L215 L295 I299V115-L136 HydrophobicContact CG2-CD2 4.26Å; A118-L136 HydrophobicContact CB-CD2 3.61Å; F124-L136 HydrophobicContact CE1-CD1 3.93Å; F124-L136 HydrophobicContact CZ-CD1 3.62Å; F124-L136 HydrophobicContact CZ-CG 3.86Å; Q132-L136 WeakPolarHBondContact O-CB 3.38Å; Q132-L136 WeakPolarHBondContact O-CG 3.43Å; Q132-L136 PolarHBondContact O-N 3.16Å; Q132-L136 VanDerWaalsContact O-N 3.15Å; I134-L136 PolarHBondContact O-N 2.9Å; L136-A138 PolarHBondContact O-N 3.03Å; L136-V140 HydrophobicContact CB-CG2 4.13Å; L136-V140 HydrophobicContact CD2-CG2 3.58Å; L136-V140 VanDerWaalsContact O-CB 3.25Å; L136-V140 WeakPolarHBondContact O-CB 3.27Å; L136-V140 WeakPolarHBondContact O-CG2 3.34Å; L136-V140 PolarHBondContact O-N 3.04Å; L136-L215 HydrophobicContact CD2-CD2 4.27Å; L136-L295 HydrophobicContact CB-CD1 4.13Å; L136-L295 HydrophobicContact CB-CD2 3.56Å; L136-L295 HydrophobicContact CB-CG 4.49Å; L136-L295 HydrophobicContact CD1-CD2 3.87Å; L136-L295 HydrophobicContact CD2-CD2 4.5Å; L136-L295 HydrophobicContact CG-CD2 4.18Å; L136-I299 HydrophobicContact CD1-CD1 3.8Å; L136-I299 HydrophobicContact CD1-CG1 4.34Å
137K83.4Confident88.3Confident82 Ų8217.4 Ų17.436%0.3579%0.087SC..Hα-helixtrans-52.9-38.1175.4-86.3172.3173.9-179.10112.6I133 I134 I292 L295I133-K137 HydrophobicContact CG2-CD 3.96Å; I133-K137 HydrophobicContact CG2-CG 4.31Å; I133-K137 VanDerWaalsContact O-CB 3.28Å; I133-K137 WeakPolarHBondContact O-CB 3.18Å; I133-K137 WeakPolarHBondContact O-CG 3.3Å; I133-K137 PolarHBondContact O-N 3.32Å; I134-K137 PolarHBondContact O-N 3.19Å; K137-I292 HydrophobicContact CG-CG1 4.45Å; K137-L295 HydrophobicContact CB-CD1 4.49Å; K137-L295 HydrophobicContact CG-CD1 3.92Å
138A85.9Confident87.5Confident24 Ų2417.3 Ų17.320%0.1989%0.086CC..Hα-helixtrans-92-38.8-174.700000112.9I134 L135 L136 R220 N269I134-A138 PolarHBondContact O-N 2.77Å; L135-A138 PolarHBondContact O-N 2.67Å; L136-A138 PolarHBondContact O-N 3.03Å; A138-R220 HydrophobicContact CB-CG 4.18Å; A138-N269 PolarHBondContact O-ND2 3.25Å
139G89.4Confident87Confident0 Ų017.5 Ų17.50%09%0.088CC..Hα-helixtrans-90.2-20.5-174.400000116.4L135 F141 E142 V143 R220L135-G139 PolarHBondContact O-N 2.99Å; G139-F141 VanDerWaalsContact C-N 3.32Å; G139-F141 PolarHBondContact O-N 3.34Å; G139-E142 PolarHBondContact O-N 3.15Å; G139-V143 PolarHBondContact O-N 3.28Å; G139-V143 VanDerWaalsContact O-N 3.1Å; G139-R220 VanDerWaalsContact CA-NH2 3.34Å
140V87.6Confident86.3Confident6 Ų617.1 Ų17.14%0.0369%0.092CC..Hα-helixtrans-61.7-37.9-175.51630000112.6I111 I114 V115 L136 L144 L215I111-V140 HydrophobicContact CG1-CG1 4.25Å; I111-V140 HydrophobicContact CG2-CG1 4.19Å; I114-V140 HydrophobicContact CG2-CB 4.44Å; I114-V140 HydrophobicContact CG2-CG1 4.33Å; I114-V140 HydrophobicContact CG2-CG2 4.07Å; V115-V140 HydrophobicContact CG2-CG2 4.2Å; L136-V140 HydrophobicContact CB-CG2 4.13Å; L136-V140 HydrophobicContact CD2-CG2 3.58Å; L136-V140 VanDerWaalsContact O-CB 3.25Å; L136-V140 WeakPolarHBondContact O-CB 3.27Å; L136-V140 WeakPolarHBondContact O-CG2 3.34Å; L136-V140 PolarHBondContact O-N 3.04Å; V140-L144 WeakPolarHBondContact O-CB 3.39Å; V140-L144 PolarHBondContact O-N 2.91Å; V140-L215 HydrophobicContact CG2-CD2 4.5Å
141F82.2Confident85.4Confident21 Ų2112.9 Ų12.99%0.0927%0.072CC..Hα-helixtrans-70.2-36.6177.7-177.5-105.2000112.4L88 G139 L144 L145 N269 H272L88-F141 HydrophobicContact CD1-CD2 4.19Å; L88-F141 HydrophobicContact CD1-CE2 4Å; L88-F141 HydrophobicContact CG-CE2 4.3Å; G139-F141 VanDerWaalsContact C-N 3.32Å; G139-F141 PolarHBondContact O-N 3.34Å; F141-L144 HydrophobicContact CD2-CD2 4.33Å; F141-L144 WeakPolarHBondContact O-CB 3.41Å; F141-L144 PolarHBondContact O-N 3.32Å; F141-L145 HydrophobicContact CD1-CD1 4.25Å; F141-L145 HydrophobicContact CD1-CG 4.33Å; F141-L145 HydrophobicContact CE1-CD1 3.63Å; F141-L145 HydrophobicContact CE1-CD2 4.1Å; F141-L145 HydrophobicContact CE1-CG 3.85Å; F141-L145 HydrophobicContact CE2-CD2 4.16Å; F141-L145 HydrophobicContact CE2-CG 4.47Å; F141-L145 HydrophobicContact CZ-CD1 4.08Å; F141-L145 HydrophobicContact CZ-CD2 3.66Å; F141-L145 HydrophobicContact CZ-CG 3.92Å; F141-L145 WeakPolarHBondContact O-CG 3.42Å; F141-L145 PolarHBondContact O-N 2.78Å; F141-N269 HydrophobicContact CD1-CB 4.05Å; F141-N269 WeakPolarHBondContact CD1-OD1 3.21Å; F141-H272 HydrophobicContact CD1-CB 4.36Å; F141-H272 AromaticContact CD1-ND1 3.71Å; F141-H272 AromaticContact CD2-CE1 3.52Å; F141-H272 AromaticContact CD2-ND1 3.58Å; F141-H272 HydrophobicContact CE1-CB 3.47Å; F141-H272 VanDerWaalsContact CE1-CB 3.47Å; F141-H272 AromaticContact CE1-CG 3.52Å; F141-H272 AromaticContact CE1-ND1 3.46Å; F141-H272 WeakPolarHBondContact CE1-ND1 3.45Å; F141-H272 HydrophobicContact CE2-CB 4.46Å; F141-H272 AromaticContact CE2-CD2 3.82Å; F141-H272 AromaticContact CE2-CE1 3.3Å; F141-H272 WeakPolarHBondContact CE2-CE1 3.01Å; F141-H272 AromaticContact CE2-CG 3.65Å; F141-H272 AromaticContact CE2-ND1 3.34Å; F141-H272 VanDerWaalsContact CE2-ND1 3.34Å; F141-H272 WeakPolarHBondContact CE2-ND1 3.17Å; F141-H272 AromaticContact CE2-NE2 3.62Å; F141-H272 AromaticContact CG-ND1 3.76Å; F141-H272 HydrophobicContact CZ-CB 3.55Å; F141-H272 AromaticContact CZ-CD2 3.63Å; F141-H272 AromaticContact CZ-CE1 3.71Å; F141-H272 AromaticContact CZ-CG 3.19Å; F141-H272 AromaticContact CZ-ND1 3.28Å; F141-H272 VanDerWaalsContact CZ-ND1 3.28Å; F141-H272 WeakPolarHBondContact CZ-ND1 3.49Å; F141-H272 AromaticContact CZ-NE2 3.94Å
142E90.3Very high84.6Confident0 Ų013.5 Ų13.50%08%0.075CC..Hα-helixtrans-65.7-42.3179.2-61.4164.3179.200111G139 L145 L146 I214 R220 L265 R266 N269G139-E142 PolarHBondContact O-N 3.15Å; E142-L145 PolarHBondContact O-N 2.79Å; E142-L146 PolarHBondContact O-N 2.94Å; E142-I214 HydrophobicContact CB-CG2 3.61Å; E142-I214 VanDerWaalsContact OE2-CG2 3.31Å; E142-I214 WeakPolarHBondContact OE2-CG2 3.34Å; E142-R220 IonicContact OE1-CZ 2.78Å; E142-R220 IonicContact OE1-NH1 3.73Å; E142-R220 PolarHBondContact OE1-NH1 2.99Å; E142-R220 IonicContact OE1-NH2 2.79Å; E142-R220 IonicContact OE2-CZ 3.66Å; E142-R220 IonicContact OE2-NH1 3.43Å; E142-R220 PolarHBondContact OE2-NH1 3.32Å; E142-R220 IonicContact OE2-NH2 2.68Å; E142-R220 PolarHBondContact OE2-NH2 3.32Å; E142-L265 HydrophobicContact CB-CB 4.25Å; E142-L265 HydrophobicContact CG-CB 4.25Å; E142-R266 VanDerWaalsContact CD-NH1 3.32Å; E142-R266 WeakPolarHBondContact OE1-CD 3.3Å; E142-R266 IonicContact OE1-CZ 3.25Å; E142-R266 IonicContact OE1-NH1 3.99Å; E142-R266 PolarHBondContact OE1-NH1 2.96Å; E142-R266 IonicContact OE2-CZ 3.97Å; E142-R266 IonicContact OE2-NH1 3.19Å; E142-R266 PolarHBondContact OE2-NH1 3.29Å; E142-N269 HydrophobicContact CG-CB 4Å; E142-N269 WeakPolarHBondContact CG-ND2 3.35Å; E142-N269 PolarHBondContact OE1-ND2 3.43Å
143V91.4Very high83.7Confident0 Ų013.9 Ų13.90%08%0.077CC..Hα-helixtrans-70.7-30.6172.1177.80000112.2I114 G139 L146 Q147 I214 L215I114-V143 HydrophobicContact CD1-CG1 4.36Å; I114-V143 HydrophobicContact CG1-CG1 4.25Å; I114-V143 HydrophobicContact CG2-CB 4.07Å; I114-V143 HydrophobicContact CG2-CG1 3.93Å; G139-V143 PolarHBondContact O-N 3.28Å; G139-V143 VanDerWaalsContact O-N 3.1Å; V143-L146 PolarHBondContact O-N 3.28Å; V143-Q147 WeakPolarHBondContact O-CG 3.38Å; V143-Q147 PolarHBondContact O-N 3.36Å; V143-I214 HydrophobicContact CG2-CB 4.3Å; V143-I214 HydrophobicContact CG2-CG2 3.88Å; V143-L215 HydrophobicContact CG2-CD1 4.28Å; V143-L215 HydrophobicContact CG2-CD2 3.96Å; V143-L215 HydrophobicContact CG2-CG 3.79Å
144L84.8Confident83.1Confident2 Ų217.6 Ų17.61%0.0110%0.095CC..Hα-helixtrans-62.5-43173.1-177.763.2000111F61 L88 Y107 A110 I114 V140 F141 L146 Q147 L148F61-L144 HydrophobicContact CE1-CD1 3.61Å; F61-L144 HydrophobicContact CZ-CD1 3.81Å; L88-L144 HydrophobicContact CD2-CD2 4.25Å; Y107-L144 HydrophobicContact CD1-CD2 4.32Å; A110-L144 HydrophobicContact CB-CD1 4.13Å; I114-L144 HydrophobicContact CD1-CB 3.7Å; I114-L144 HydrophobicContact CD1-CD1 3.95Å; I114-L144 HydrophobicContact CD1-CG 4.42Å; V140-L144 WeakPolarHBondContact O-CB 3.39Å; V140-L144 PolarHBondContact O-N 2.91Å; F141-L144 HydrophobicContact CD2-CD2 4.33Å; F141-L144 WeakPolarHBondContact O-CB 3.41Å; F141-L144 PolarHBondContact O-N 3.32Å; L144-L146 VanDerWaalsContact C-N 3.33Å; L144-L146 PolarHBondContact O-N 3.43Å; L144-Q147 PolarHBondContact O-N 3.16Å; L144-L148 HydrophobicContact CD1-CD1 4.48Å; L144-L148 HydrophobicContact CD1-CG 4.35Å; L144-L148 HydrophobicContact CG-CD1 4.09Å; L144-L148 HydrophobicContact CG-CG 4.38Å; L144-L148 WeakPolarHBondContact O-CB 3.28Å; L144-L148 VanDerWaalsContact O-CG 3.23Å; L144-L148 WeakPolarHBondContact O-CG 3.48Å; L144-L148 PolarHBondContact O-N 3.35Å
145L82.6Confident82.3Confident2 Ų222.2 Ų22.21%0.0112%0.12CC..Hα-helixtrans-60.7-40.1174.5-66.8-175.6000112.4F141 E142 L148 S149 L190 L265 L268F141-L145 HydrophobicContact CD1-CD1 4.25Å; F141-L145 HydrophobicContact CD1-CG 4.33Å; F141-L145 HydrophobicContact CE1-CD1 3.63Å; F141-L145 HydrophobicContact CE1-CD2 4.1Å; F141-L145 HydrophobicContact CE1-CG 3.85Å; F141-L145 HydrophobicContact CE2-CD2 4.16Å; F141-L145 HydrophobicContact CE2-CG 4.47Å; F141-L145 HydrophobicContact CZ-CD1 4.08Å; F141-L145 HydrophobicContact CZ-CD2 3.66Å; F141-L145 HydrophobicContact CZ-CG 3.92Å; F141-L145 WeakPolarHBondContact O-CG 3.42Å; F141-L145 PolarHBondContact O-N 2.78Å; E142-L145 PolarHBondContact O-N 2.79Å; L145-L148 PolarHBondContact O-N 3.49Å; L145-S149 PolarHBondContact O-N 2.95Å; L145-L190 HydrophobicContact CD1-CD1 4.3Å; L145-L190 HydrophobicContact CD2-CD1 3.85Å; L145-L190 HydrophobicContact CD2-CD2 4.32Å; L145-L190 HydrophobicContact CG-CD1 4.49Å; L145-L265 HydrophobicContact CB-CD2 4.15Å; L145-L265 HydrophobicContact CD1-CD2 4.29Å; L145-L268 HydrophobicContact CD1-CB 3.7Å; L145-L268 HydrophobicContact CD1-CD1 3.96Å; L145-L268 HydrophobicContact CD1-CG 4.45Å
146L88.4Confident81.4Confident1 Ų125.1 Ų25.11%0.00514%0.138CC..Hα-helixtrans-62.2-45.8174-68.9-178000112E142 V143 L144 L148 S149 F193 F197 L207 F210 I214 L265E142-L146 PolarHBondContact O-N 2.94Å; V143-L146 PolarHBondContact O-N 3.28Å; L144-L146 VanDerWaalsContact C-N 3.33Å; L144-L146 PolarHBondContact O-N 3.43Å; L146-L148 VanDerWaalsContact C-N 3.32Å; L146-L148 PolarHBondContact O-N 3.02Å; L146-S149 VanDerWaalsContact O-CB 3.32Å; L146-S149 WeakPolarHBondContact O-CB 3.45Å; L146-S149 PolarHBondContact O-N 3.49Å; L146-S149 VanDerWaalsContact O-N 3.14Å; L146-S149 PolarHBondContact O-OG 3.45Å; L146-F193 HydrophobicContact CD2-CE1 4.04Å; L146-F193 HydrophobicContact CD2-CZ 3.93Å; L146-F197 HydrophobicContact CD2-CD1 4.18Å; L146-F197 HydrophobicContact CD2-CD2 4.25Å; L146-F197 HydrophobicContact CD2-CE1 3.77Å; L146-F197 HydrophobicContact CD2-CE2 3.86Å; L146-F197 HydrophobicContact CD2-CG 4.41Å; L146-F197 HydrophobicContact CD2-CZ 3.6Å; L146-L207 HydrophobicContact CD1-CD1 4.24Å; L146-F210 HydrophobicContact CD1-CD1 3.81Å; L146-F210 HydrophobicContact CD1-CE1 3.9Å; L146-F210 HydrophobicContact CD2-CE1 4.33Å; L146-I214 HydrophobicContact CD1-CD1 3.47Å; L146-I214 VanDerWaalsContact CD1-CD1 3.47Å; L146-L265 HydrophobicContact CD1-CD1 4.32Å; L146-L265 HydrophobicContact CD2-CD1 4.27Å; L146-L265 HydrophobicContact CD2-CD2 4.49Å; L146-L265 HydrophobicContact CG-CD1 4.25Å
147Q84.5Confident80.8Confident4 Ų428.7 Ų28.72%0.01915%0.154CC..Hα-helixtrans-65.3-35.2176.9-67.7-75.6-10.600112.4Y54 S58 F61 V143 L144 S149 S150Y54-Q147 PolarHBondContact OH-NE2 3.37Å; S58-Q147 PolarHBondContact OG-OE1 2.94Å; F61-Q147 HydrophobicContact CD1-CB 3.82Å; F61-Q147 HydrophobicContact CD2-CB 3.78Å; F61-Q147 HydrophobicContact CD2-CG 3.79Å; F61-Q147 HydrophobicContact CE1-CB 3.79Å; F61-Q147 HydrophobicContact CE2-CB 3.78Å; F61-Q147 HydrophobicContact CE2-CG 3.62Å; F61-Q147 HydrophobicContact CG-CB 3.82Å; F61-Q147 HydrophobicContact CG-CG 4.34Å; F61-Q147 HydrophobicContact CZ-CB 3.78Å; F61-Q147 HydrophobicContact CZ-CG 4Å; V143-Q147 WeakPolarHBondContact O-CG 3.38Å; V143-Q147 PolarHBondContact O-N 3.36Å; L144-Q147 PolarHBondContact O-N 3.16Å; Q147-S149 PolarHBondContact O-N 3.08Å; Q147-S150 PolarHBondContact O-N 3.3Å; Q147-S150 PolarHBondContact O-OG 3.24Å
148L74.5Confident80.4Confident2 Ų224.8 Ų24.81%0.0114%0.137CC..Hα-helixtrans-69.2-11.6174.8-68.8176.4000113.7L144 L145 L146 S150 L151 L162L144-L148 HydrophobicContact CD1-CD1 4.48Å; L144-L148 HydrophobicContact CD1-CG 4.35Å; L144-L148 HydrophobicContact CG-CD1 4.09Å; L144-L148 HydrophobicContact CG-CG 4.38Å; L144-L148 WeakPolarHBondContact O-CB 3.28Å; L144-L148 VanDerWaalsContact O-CG 3.23Å; L144-L148 WeakPolarHBondContact O-CG 3.48Å; L144-L148 PolarHBondContact O-N 3.35Å; L145-L148 PolarHBondContact O-N 3.49Å; L146-L148 VanDerWaalsContact C-N 3.32Å; L146-L148 PolarHBondContact O-N 3.02Å; L148-S150 PolarHBondContact O-N 3.19Å; L148-L151 HydrophobicContact CD2-CD1 3.63Å; L148-L151 WeakPolarHBondContact O-CB 3.37Å; L148-L151 PolarHBondContact O-N 3.04Å; L148-L162 HydrophobicContact CD2-CD1 4.28Å; L148-L162 HydrophobicContact CD2-CG 4.03Å
149S77.5Confident79.8Confident21 Ų2123.8 Ų23.815%0.14713%0.128CC..G310 helixtrans-62.6-28.4171.268.70000112.6L145 L146 Q147 L151 F152L145-S149 PolarHBondContact O-N 2.95Å; L146-S149 VanDerWaalsContact O-CB 3.32Å; L146-S149 WeakPolarHBondContact O-CB 3.45Å; L146-S149 PolarHBondContact O-N 3.49Å; L146-S149 VanDerWaalsContact O-N 3.14Å; L146-S149 PolarHBondContact O-OG 3.45Å; Q147-S149 PolarHBondContact O-N 3.08Å; S149-L151 PolarHBondContact O-N 2.97Å; S149-F152 WeakPolarHBondContact O-CB 3.37Å; S149-F152 PolarHBondContact O-N 3.26Å
150S71.6Confident79.1Confident52 Ų5224 Ų2436%0.36413%0.129SC..G310 helixtrans-72-1.7173.570.70000114.7Q147 L148Q147-S150 PolarHBondContact O-N 3.3Å; Q147-S150 PolarHBondContact O-OG 3.24Å; L148-S150 PolarHBondContact O-N 3.19Å
151L71.2Confident78.3Confident0 Ų023.7 Ų23.70%013%0.127CC..G310 helixtrans-1106.5177.2-91159.7000112.7S65 M69 L148 S149 L159 V160 L162S65-L151 VanDerWaalsContact CB-CG 3.46Å; M69-L151 HydrophobicContact CG-CD2 4.25Å; M69-L151 HydrophobicContact SD-CD2 4.29Å; L148-L151 HydrophobicContact CD2-CD1 3.63Å; L148-L151 WeakPolarHBondContact O-CB 3.37Å; L148-L151 PolarHBondContact O-N 3.04Å; S149-L151 PolarHBondContact O-N 2.97Å; L151-L159 HydrophobicContact CB-CD1 4.23Å; L151-V160 VanDerWaalsContact CB-O 3.3Å; L151-V160 WeakPolarHBondContact CB-O 3.25Å; L151-V160 HydrophobicContact CD2-CB 3.93Å; L151-V160 HydrophobicContact CD2-CG1 4.19Å; L151-V160 WeakPolarHBondContact CD2-O 3.47Å; L151-V160 PolarHBondContact O-N 3.32Å; L151-L162 HydrophobicContact CD1-CD2 3.65Å; L151-L162 HydrophobicContact CD1-CG 4.23Å
152F74.4Confident77.7Confident14 Ų1422.7 Ų22.76%0.06112%0.123CC..EExtended strand (participates in β ladder)trans-92.9116.5174.7175.1-115000110.6S149 M154 K157 S158 L159 F191 I194 D195S149-F152 WeakPolarHBondContact O-CB 3.37Å; S149-F152 PolarHBondContact O-N 3.26Å; F152-M154 HydrophobicContact CD1-CG 4.05Å; F152-M154 HydrophobicContact CE1-CG 3.98Å; F152-M154 PolarHBondContact O-N 3.17Å; F152-K157 HydrophobicContact CE2-CD 4.34Å; F152-K157 HydrophobicContact CZ-CD 3.65Å; F152-S158 CarbonylContact C-O 3.49Å; F152-S158 WeakPolarHBondContact CA-O 3.39Å; F152-S158 WeakPolarHBondContact CD2-O 3.39Å; F152-L159 HydrophobicContact CB-CD1 4.35Å; F152-F191 AromaticContact CD2-CD1 3.93Å; F152-F191 HydrophobicContact CD2-CD1 3.93Å; F152-F191 AromaticContact CD2-CE1 3.85Å; F152-F191 HydrophobicContact CD2-CE1 3.85Å; F152-F191 AromaticContact CE2-CD1 3.45Å; F152-F191 HydrophobicContact CE2-CD1 3.45Å; F152-F191 VanDerWaalsContact CE2-CD1 3.45Å; F152-F191 AromaticContact CE2-CE1 3.62Å; F152-F191 HydrophobicContact CE2-CE1 3.62Å; F152-F191 HydrophobicContact CZ-CD1 4.35Å; F152-I194 HydrophobicContact CB-CG2 3.71Å; F152-I194 HydrophobicContact CD1-CG2 3.44Å; F152-I194 VanDerWaalsContact CD1-CG2 3.44Å; F152-I194 HydrophobicContact CD2-CG2 4.47Å; F152-I194 HydrophobicContact CE1-CG2 4.08Å; F152-I194 HydrophobicContact CG-CG2 3.63Å; F152-D195 WeakPolarHBondContact CE1-OD1 3.41Å; F152-D195 WeakPolarHBondContact CZ-OD1 3.32Å
153D75.6Confident76.5Confident9 Ų923.8 Ų23.85%0.04813%0.129CC..EExtended strand (participates in β ladder)trans-79108.6168.6178.914.9000109.9M69 F72 H73 N155 T156 K157 S158M69-D153 HydrophobicContact CE-CB 3.89Å; F72-D153 HydrophobicContact CE1-CB 4.29Å; H73-D153 IonicContact CE1-OD2 3.55Å; D153-N155 PolarHBondContact O-N 2.72Å; D153-N155 VanDerWaalsContact OD1-CB 3.28Å; D153-N155 WeakPolarHBondContact OD1-CB 3.48Å; D153-N155 PolarHBondContact OD1-N 3.12Å; D153-T156 VanDerWaalsContact OD2-CB 3.26Å; D153-T156 WeakPolarHBondContact OD2-CB 3.47Å; D153-T156 WeakPolarHBondContact OD2-CG2 3.38Å; D153-T156 PolarHBondContact OD2-N 2.86Å; D153-T156 VanDerWaalsContact OD2-N 3.14Å; D153-T156 PolarHBondContact OD2-OG1 2.95Å; D153-K157 VanDerWaalsContact O-CA 3.25Å; D153-K157 WeakPolarHBondContact O-CA 3.37Å; D153-K157 PolarHBondContact O-N 3.14Å; D153-S158 PolarHBondContact N-O 2.85Å; D153-S158 PolarHBondContact O-N 3.16Å
154M74.4Confident75.3Confident95 Ų9525 Ų2547%0.46814%0.141SC..THydrogen-bonded Turntrans-61.7-28.4175.1-64.5-173.974.200113F152 T198F152-M154 HydrophobicContact CD1-CG 4.05Å; F152-M154 HydrophobicContact CE1-CG 3.98Å; F152-M154 PolarHBondContact O-N 3.17Å; M154-T198 HydrophobicContact CE-CG2 4.1Å; M154-T198 HydrophobicContact SD-CG2 3.62Å
155N74.7Confident74.4Confident130 Ų13026.3 Ų26.370%0.69515%0.151SC*.THydrogen-bonded Turntrans-77.4-45.9-174.3-65.1-32.6000111.7D153D153-N155 PolarHBondContact O-N 2.72Å; D153-N155 VanDerWaalsContact OD1-CB 3.28Å; D153-N155 WeakPolarHBondContact OD1-CB 3.48Å; D153-N155 PolarHBondContact OD1-N 3.12Å
156T74.9Confident73.7Confident62 Ų6227.3 Ų27.338%0.3816%0.157SC..THydrogen-bonded Turntrans-93.7-2.3176.164.10000114.2F72 D153 S158F72-T156 HydrophobicContact CE1-CG2 4.13Å; F72-T156 VanDerWaalsContact CE1-OG1 3.31Å; F72-T156 WeakPolarHBondContact CE1-OG1 3.45Å; F72-T156 HydrophobicContact CZ-CG2 4.22Å; F72-T156 WeakPolarHBondContact CZ-OG1 3.45Å; D153-T156 VanDerWaalsContact OD2-CB 3.26Å; D153-T156 WeakPolarHBondContact OD2-CB 3.47Å; D153-T156 WeakPolarHBondContact OD2-CG2 3.38Å; D153-T156 PolarHBondContact OD2-N 2.86Å; D153-T156 VanDerWaalsContact OD2-N 3.14Å; D153-T156 PolarHBondContact OD2-OG1 2.95Å; T156-S158 WeakPolarHBondContact CB-OG 3.33Å; T156-S158 PolarHBondContact O-N 3.41Å; T156-S158 PolarHBondContact O-OG 3.14Å; T156-S158 VanDerWaalsContact OG1-CB 3.27Å; T156-S158 WeakPolarHBondContact OG1-CB 3.45Å; T156-S158 PolarHBondContact OG1-OG 3.49Å
157K77.2Confident72.7Confident76 Ų7628 Ų2833%0.3316%0.16SC..THydrogen-bonded Turntrans52.243.2-172.8-63.3-67.8-175.2161.10112.3F152 D153 F191 D195F152-K157 HydrophobicContact CE2-CD 4.34Å; F152-K157 HydrophobicContact CZ-CD 3.65Å; D153-K157 VanDerWaalsContact O-CA 3.25Å; D153-K157 WeakPolarHBondContact O-CA 3.37Å; D153-K157 PolarHBondContact O-N 3.14Å; K157-F191 WeakPolarHBondContact O-CE1 3.41Å; K157-D195 IonicContact NZ-OD1 2.62Å; K157-D195 PolarHBondContact NZ-OD1 2.86Å; K157-D195 IonicContact NZ-OD2 2.72Å; K157-D195 PolarHBondContact NZ-OD2 2.94Å
158S74.9Confident72Confident0 Ų031.9 Ų31.90%018%0.178CC..EExtended strand (participates in β ladder)trans-113.7138-176.2-530000111.4F72 F152 D153 T156 Y167 Q168F72-S158 WeakPolarHBondContact CZ-OG 3.47Å; F152-S158 CarbonylContact C-O 3.49Å; F152-S158 WeakPolarHBondContact CA-O 3.39Å; F152-S158 WeakPolarHBondContact CD2-O 3.39Å; D153-S158 PolarHBondContact N-O 2.85Å; D153-S158 PolarHBondContact O-N 3.16Å; T156-S158 WeakPolarHBondContact CB-OG 3.33Å; T156-S158 PolarHBondContact O-N 3.41Å; T156-S158 PolarHBondContact O-OG 3.14Å; T156-S158 VanDerWaalsContact OG1-CB 3.27Å; T156-S158 WeakPolarHBondContact OG1-CB 3.45Å; T156-S158 PolarHBondContact OG1-OG 3.49Å; S158-Y167 CarbonylContact C-O 3.58Å; S158-Y167 WeakPolarHBondContact CA-O 3.48Å; S158-Q168 VanDerWaalsContact OG-CG 3.31Å; S158-Q168 WeakPolarHBondContact OG-CG 3.42Å; S158-Q168 PolarHBondContact OG-NE2 2.92Å
159L74.4Confident71.7Confident3 Ų336.5 Ų36.52%0.01620%0.195CC..EExtended strand (participates in β ladder)trans-103.6115.6169.8177.763.6000109.1L151 F152 L161 V166 Y167 L190 F191 I194L151-L159 HydrophobicContact CB-CD1 4.23Å; F152-L159 HydrophobicContact CB-CD1 4.35Å; L159-L161 HydrophobicContact CD2-CD2 4.35Å; L159-L161 HydrophobicContact CG-CD2 4.38Å; L159-V166 WeakPolarHBondContact O-CA 3.46Å; L159-Y167 PolarHBondContact N-O 3.34Å; L159-Y167 PolarHBondContact O-N 2.79Å; L159-L190 HydrophobicContact CD2-CD2 3.68Å; L159-L190 HydrophobicContact CD2-CG 4.41Å; L159-F191 HydrophobicContact CB-CE1 3.76Å; L159-F191 HydrophobicContact CB-CZ 4.03Å; L159-I194 HydrophobicContact CD1-CD1 4.31Å
160V73.1Confident70.9Confident3 Ų336.9 Ų36.92%0.01820%0.203CC..EExtended strand (participates in β ladder)trans-87.8127.3175.8-175.30000109L68 M69 F72 L151 V166L68-V160 HydrophobicContact CB-CG1 3.9Å; M69-V160 HydrophobicContact SD-CB 4.04Å; M69-V160 HydrophobicContact SD-CG2 3.69Å; F72-V160 HydrophobicContact CB-CG2 4.46Å; F72-V160 HydrophobicContact CD1-CG2 4.33Å; F72-V160 HydrophobicContact CG-CG2 4.23Å; L151-V160 VanDerWaalsContact CB-O 3.3Å; L151-V160 WeakPolarHBondContact CB-O 3.25Å; L151-V160 HydrophobicContact CD2-CB 3.93Å; L151-V160 HydrophobicContact CD2-CG1 4.19Å; L151-V160 WeakPolarHBondContact CD2-O 3.47Å; L151-V160 PolarHBondContact O-N 3.32Å; V160-V166 HydrophobicContact CG2-CG2 4.24Å
161L71.2Confident70.2Confident0 Ų036.3 Ų36.30%020%0.204CC..  trans-88.3160.1-178.8-61.4-177.8000111.9L68 P87 L159 N163 G164 S165 Y167L68-L161 WeakPolarHBondContact CD1-O 3.22Å; P87-L161 HydrophobicContact CB-CD2 3.91Å; P87-L161 WeakPolarHBondContact O-CD1 3.4Å; L159-L161 HydrophobicContact CD2-CD2 4.35Å; L159-L161 HydrophobicContact CG-CD2 4.38Å; L161-N163 WeakPolarHBondContact CB-OD1 3.19Å; L161-N163 PolarHBondContact O-N 2.89Å; L161-N163 VanDerWaalsContact O-N 3.1Å; L161-G164 PolarHBondContact O-N 3.43Å; L161-S165 WeakPolarHBondContact CB-O 3.27Å; L161-S165 WeakPolarHBondContact CG-O 3.47Å; L161-S165 PolarHBondContact N-O 3.08Å; L161-Y167 HydrophobicContact CD1-CD2 4.06Å; L161-Y167 HydrophobicContact CD1-CE2 3.36Å; L161-Y167 HydrophobicContact CD2-CD2 4.04Å; L161-Y167 HydrophobicContact CD2-CE2 3.91Å; L161-Y167 HydrophobicContact CG-CD2 4.14Å; L161-Y167 HydrophobicContact CG-CE2 3.92Å
162L69.1Low69.2Low0 Ų038.8 Ų38.80%022%0.221CC..THydrogen-bonded Turntrans-64.5-15.8176.7-65.3176.9000114F61 R64 Y107 A110 L148 L151F61-L162 HydrophobicContact CD1-CD1 4.34Å; F61-L162 HydrophobicContact CD1-CD2 4.47Å; F61-L162 HydrophobicContact CE1-CD1 4.09Å; R64-L162 HydrophobicContact CB-CD2 4.18Å; R64-L162 HydrophobicContact CG-CD2 3.63Å; R64-L162 PolarHBondContact NE-O 3.15Å; R64-L162 PolarHBondContact NH2-O 3.25Å; Y107-L162 HydrophobicContact CD1-CB 4.44Å; Y107-L162 HydrophobicContact CD1-CD1 3.78Å; Y107-L162 HydrophobicContact CE1-CB 3.97Å; Y107-L162 HydrophobicContact CE1-CD1 3.72Å; Y107-L162 HydrophobicContact CE1-CG 4.02Å; A110-L162 HydrophobicContact CB-CD1 3.72Å; L148-L162 HydrophobicContact CD2-CD1 4.28Å; L148-L162 HydrophobicContact CD2-CG 4.03Å; L151-L162 HydrophobicContact CD1-CD2 3.65Å; L151-L162 HydrophobicContact CD1-CG 4.23Å
163N65.2Low67.9Low23 Ų2345.1 Ų45.112%0.12326%0.255CS..THydrogen-bonded Turntrans-89.8-0.2170.673.7-8000113.7L161 S165L161-N163 WeakPolarHBondContact CB-OD1 3.19Å; L161-N163 PolarHBondContact O-N 2.89Å; L161-N163 VanDerWaalsContact O-N 3.1Å; N163-S165 PolarHBondContact ND2-OG 2.6Å; N163-S165 VanDerWaalsContact OD1-CB 3.3Å; N163-S165 WeakPolarHBondContact OD1-CB 3.28Å; N163-S165 PolarHBondContact OD1-N 2.86Å; N163-S165 PolarHBondContact OD1-OG 3.1Å
164G66.5Low66.5Low25 Ų2548.9 Ų48.926%0.25829%0.288SS..SBendtrans82.21.4-178.600000115.9L161L161-G164 PolarHBondContact O-N 3.43Å
165S66.4Low64.9Low31 Ų3151.1 Ų51.122%0.21730%0.297CS..  trans-70.9151.3168.2-58.30000110.5L161 N163L161-S165 WeakPolarHBondContact CB-O 3.27Å; L161-S165 WeakPolarHBondContact CG-O 3.47Å; L161-S165 PolarHBondContact N-O 3.08Å; N163-S165 PolarHBondContact ND2-OG 2.6Å; N163-S165 VanDerWaalsContact OD1-CB 3.3Å; N163-S165 WeakPolarHBondContact OD1-CB 3.28Å; N163-S165 PolarHBondContact OD1-N 2.86Å; N163-S165 PolarHBondContact OD1-OG 3.1Å
166V68.3Low62.9Low22 Ų2248.2 Ų48.213%0.13330%0.298CS..EExtended strand (participates in β ladder)trans-121.8131179-173.60000109.7F72 L159 V160F72-V166 HydrophobicContact CD2-CG1 4.43Å; F72-V166 HydrophobicContact CD2-CG2 3.97Å; F72-V166 HydrophobicContact CE2-CG1 3.89Å; F72-V166 HydrophobicContact CE2-CG2 4.21Å; F72-V166 HydrophobicContact CZ-CG1 4.38Å; L159-V166 WeakPolarHBondContact O-CA 3.46Å; V160-V166 HydrophobicContact CG2-CG2 4.24Å
167Y67.7Low60.9Low16 Ų1653.5 Ų53.56%0.06332%0.324CS..EExtended strand (participates in β ladder)trans-98.4143.8162.7-66.3-69.2000109.9S82 T84 C86 S158 L159 L161 I187S82-Y167 VanDerWaalsContact CB-CE1 3.47Å; S82-Y167 WeakPolarHBondContact CB-OH 3.31Å; S82-Y167 PolarHBondContact OG-OH 3.03Å; T84-Y167 PolarHBondContact O-OH 3.5Å; C86-Y167 PolarHBondContact O-OH 3.48Å; S158-Y167 CarbonylContact C-O 3.58Å; S158-Y167 WeakPolarHBondContact CA-O 3.48Å; L159-Y167 PolarHBondContact N-O 3.34Å; L159-Y167 PolarHBondContact O-N 2.79Å; L161-Y167 HydrophobicContact CD1-CD2 4.06Å; L161-Y167 HydrophobicContact CD1-CE2 3.36Å; L161-Y167 HydrophobicContact CD2-CD2 4.04Å; L161-Y167 HydrophobicContact CD2-CE2 3.91Å; L161-Y167 HydrophobicContact CG-CD2 4.14Å; L161-Y167 HydrophobicContact CG-CE2 3.92Å; Y167-I187 HydrophobicContact CD1-CD1 4.37Å; Y167-I187 HydrophobicContact CD2-CD1 4.12Å; Y167-I187 HydrophobicContact CE1-CD1 4.4Å; Y167-I187 HydrophobicContact CE2-CD1 4.13Å; Y167-I187 HydrophobicContact CG-CD1 4.26Å; Y167-I187 HydrophobicContact CG-CG2 4.46Å
168Q69.5Low58.8Low85 Ų8553.9 Ų53.940%0.39735%0.349SS..EExtended strand (participates in β ladder)trans-119.9141.4167.1-79.4173.1-23.800108.6S158 G170 G171S158-Q168 VanDerWaalsContact OG-CG 3.31Å; S158-Q168 WeakPolarHBondContact OG-CG 3.42Å; S158-Q168 PolarHBondContact OG-NE2 2.92Å; Q168-G170 PolarHBondContact O-N 3.3Å; Q168-G171 PolarHBondContact O-N 3.5Å
169R67.4Low57Low99 Ų9956.8 Ų56.837%0.37438%0.379SS..THydrogen-bonded Turntrans-58.5130.8177.6-166.8172.6-178.5151.86.1110G171 F191 D192R169-G171 PolarHBondContact O-N 2.92Å; R169-F191 HydrophobicContact CB-CD2 3.73Å; R169-F191 HydrophobicContact CB-CE2 3.92Å; R169-F191 HydrophobicContact CB-CG 4.17Å; R169-F191 HydrophobicContact CG-CB 4.38Å; R169-F191 HydrophobicContact CG-CD2 3.92Å; R169-F191 HydrophobicContact CG-CG 4.31Å; R169-F191 VanDerWaalsContact N-CE2 3.34Å; R169-D192 IonicContact CZ-OD1 3.21Å; R169-D192 IonicContact CZ-OD2 3.69Å; R169-D192 IonicContact NH1-OD1 2.71Å; R169-D192 PolarHBondContact NH1-OD1 3.21Å; R169-D192 IonicContact NH1-OD2 3.9Å; R169-D192 IonicContact NH2-OD1 2.83Å; R169-D192 PolarHBondContact NH2-OD1 3.41Å; R169-D192 IonicContact NH2-OD2 2.77Å; R169-D192 PolarHBondContact NH2-OD2 3.08Å
170G62.3Low55.2Low30 Ų3061.5 Ų61.531%0.30941%0.408SS..THydrogen-bonded Turntrans75.5-10.4-172.500000116.6Q168 C172 L173Q168-G170 PolarHBondContact O-N 3.3Å; G170-C172 PolarHBondContact O-N 2.95Å; G170-L173 WeakPolarHBondContact O-CB 3.38Å; G170-L173 WeakPolarHBondContact O-CG 3.36Å; G170-L173 PolarHBondContact O-N 3.3Å
171G55.7Low53.9Low39 Ų3964.5 Ų64.540%0.40244%0.44SS..G310 helixtrans-62.3-14.7179.900000114.9Q168 R169 L173Q168-G171 PolarHBondContact O-N 3.5Å; R169-G171 PolarHBondContact O-N 2.92Å; G171-L173 PolarHBondContact O-N 3.41Å
172C51.5Low52.9Low53 Ų5367.4 Ų67.436%0.35846%0.46SS..G310 helixtrans-65.4-20.3171.9176.90000113.8G170 A174 C184G170-C172 PolarHBondContact O-N 2.95Å; C172-A174 PolarHBondContact O-N 2.88Å; C172-C184 HydrophobicContact CB-CB 3.64Å; C172-C184 WeakPolarHBondContact CB-SG 3.5Å; C172-C184 WeakPolarHBondContact SG-CA 3.36Å; C172-C184 WeakPolarHBondContact SG-CB 3.24Å; C172-C184 PolarHBondContact SG-N 3.33Å; C172-C184 CovalentContact SG-SG 2.04Å; C172-C184 PolarHBondContact SG-SG 3.39Å
173L46.9Very low52Low146 Ų14669.9 Ų69.976%0.76447%0.473SS*.G310 helixtrans-75.9-5.8-176.7-61.8172000114.3G170 G171G170-L173 WeakPolarHBondContact O-CB 3.38Å; G170-L173 WeakPolarHBondContact O-CG 3.36Å; G170-L173 PolarHBondContact O-N 3.3Å; G171-L173 PolarHBondContact O-N 3.41Å
174A44.9Very low51.9Low89 Ų8969.5 Ų69.574%0.73647%0.472SS*.G310 helixtrans-902.9-166.700000116.2C172C172-A174 PolarHBondContact O-N 2.88Å
175Q41.7Very low52.3Low142 Ų14274.1 Ų74.166%0.66449%0.485SS*.  trans-107.7115.7172.1-70.2-165.83.300111.2
176G33.1Very low52.7Low69 Ų6972.9 Ų72.971%0.71148%0.476SS*.  trans-72.2168.5-179.300000114.4
177N33Very low52.9Low173 Ų17372.3 Ų72.393%0.92547%0.472SS*.SBendtrans63.880.8168.1-60.7-7.5000117
178G32.1Very low53.5Low84 Ų8473.4 Ų73.487%0.86648%0.479SS*.SBendtrans93.6-5.3145.300000118.8T180G178-T180 PolarHBondContact O-N 3.08Å; G178-T180 VanDerWaalsContact O-N 3.14Å
179G37Very low54.2Low60 Ų6070.8 Ų70.862%0.61947%0.471SS*.  trans-78.718.4-165.800000120.1
180T37.5Very low54.9Low102 Ų10266.3 Ų66.363%0.62645%0.454SS*.  trans60.2119.5-179.674.40000117.3G178 S182G178-T180 PolarHBondContact O-N 3.08Å; G178-T180 VanDerWaalsContact O-N 3.14Å; T180-S182 PolarHBondContact O-N 3.06Å
181G44.7Very low55.8Low67 Ų6765 Ų6569%0.69144%0.44SS*.G310 helixtrans-66.2-0.3-179.800000116.7N183 C184G181-N183 PolarHBondContact O-N 3.01Å; G181-N183 VanDerWaalsContact O-N 3.1Å; G181-C184 PolarHBondContact O-N 3.42Å
182S50.4Low57.3Low61 Ų6166 Ų6643%0.42744%0.436SS..G310 helixtrans-62.7-17.1178.774.50000113.8T180 K275T180-S182 PolarHBondContact O-N 3.06Å; S182-K275 VanDerWaalsContact C-NZ 3.3Å; S182-K275 WeakPolarHBondContact O-CE 3.5Å; S182-K275 PolarHBondContact O-NZ 2.81Å; S182-K275 PolarHBondContact OG-NZ 3.35Å
183N50.5Low59.1Low51 Ų5163.8 Ų63.827%0.27342%0.42SS..G310 helixtrans-74.8-39.8-176.5-80.9-19.3000112.6A85 G181 F185 K275A85-N183 HydrophobicContact CB-CB 3.69Å; A85-N183 WeakPolarHBondContact CB-O 3.32Å; G181-N183 PolarHBondContact O-N 3.01Å; G181-N183 VanDerWaalsContact O-N 3.1Å; N183-F185 VanDerWaalsContact C-N 3.3Å; N183-F185 PolarHBondContact O-N 3.21Å; N183-K275 PolarHBondContact OD1-NZ 3.01Å
184C63.2Low60.9Low15 Ų1556.9 Ų56.910%0.10138%0.384CS..Hα-helixtrans-66.3-35.3-177-42.70000111.6C172 G181 L186 I187 D188C172-C184 HydrophobicContact CB-CB 3.64Å; C172-C184 WeakPolarHBondContact CB-SG 3.5Å; C172-C184 WeakPolarHBondContact SG-CA 3.36Å; C172-C184 WeakPolarHBondContact SG-CB 3.24Å; C172-C184 PolarHBondContact SG-N 3.33Å; C172-C184 CovalentContact SG-SG 2.04Å; C172-C184 PolarHBondContact SG-SG 3.39Å; G181-C184 PolarHBondContact O-N 3.42Å; C184-L186 VanDerWaalsContact C-N 3.35Å; C184-L186 PolarHBondContact O-N 2.91Å; C184-L186 VanDerWaalsContact O-N 3.13Å; C184-I187 WeakPolarHBondContact O-CA 3.23Å; C184-I187 WeakPolarHBondContact O-CB 3.5Å; C184-I187 PolarHBondContact O-N 3.31Å; C184-D188 VanDerWaalsContact C-OD2 3.29Å; C184-D188 VanDerWaalsContact CB-OD2 3.23Å; C184-D188 WeakPolarHBondContact CB-OD2 3.4Å; C184-D188 PolarHBondContact O-N 3.34Å; C184-D188 VanDerWaalsContact O-OD2 3.11Å
185F74.9Confident62.8Low122 Ų12253.8 Ų53.854%0.53536%0.355SS..Hα-helixtrans-52-39.3-173.6-169.3-103.6000115.7N183 S189 L271N183-F185 VanDerWaalsContact C-N 3.3Å; N183-F185 PolarHBondContact O-N 3.21Å; F185-S189 WeakPolarHBondContact O-CB 3.44Å; F185-S189 PolarHBondContact O-N 2.92Å; F185-S189 PolarHBondContact O-OG 2.78Å; F185-L271 HydrophobicContact CD1-CD1 3.97Å; F185-L271 HydrophobicContact CD1-CD2 3.98Å; F185-L271 HydrophobicContact CE1-CD1 3.76Å; F185-L271 HydrophobicContact CE1-CD2 4Å
186L73.8Confident64.9Low6 Ų652 Ų523%0.03135%0.346CS..Hα-helixtrans-66.4-42.2175.4170.361.9000111.7C184 L190 L268 L271 H272 K275C184-L186 VanDerWaalsContact C-N 3.35Å; C184-L186 PolarHBondContact O-N 2.91Å; C184-L186 VanDerWaalsContact O-N 3.13Å; L186-L190 VanDerWaalsContact O-CB 3.27Å; L186-L190 WeakPolarHBondContact O-CB 3.47Å; L186-L190 PolarHBondContact O-N 2.79Å; L186-L268 HydrophobicContact CD1-CD2 4.23Å; L186-L271 HydrophobicContact CD1-CB 3.77Å; L186-H272 HydrophobicContact CD1-CB 4.38Å; L186-H272 HydrophobicContact CD2-CB 4.3Å; L186-K275 HydrophobicContact CB-CG 4.28Å; L186-K275 HydrophobicContact CD2-CB 3.96Å; L186-K275 HydrophobicContact CD2-CG 3.81Å
187I73.1Confident67.6Low9 Ų949 Ų495%0.04631%0.314CS..Hα-helixtrans-72.1-43.1-178.5-63.7-62.1000110.3A85 P87 Y167 C184 L190 F191A85-I187 HydrophobicContact CB-CG1 4.27Å; P87-I187 HydrophobicContact CG-CD1 4.13Å; Y167-I187 HydrophobicContact CD1-CD1 4.37Å; Y167-I187 HydrophobicContact CD2-CD1 4.12Å; Y167-I187 HydrophobicContact CE1-CD1 4.4Å; Y167-I187 HydrophobicContact CE2-CD1 4.13Å; Y167-I187 HydrophobicContact CG-CD1 4.26Å; Y167-I187 HydrophobicContact CG-CG2 4.46Å; C184-I187 WeakPolarHBondContact O-CA 3.23Å; C184-I187 WeakPolarHBondContact O-CB 3.5Å; C184-I187 PolarHBondContact O-N 3.31Å; I187-L190 PolarHBondContact O-N 3.02Å; I187-F191 HydrophobicContact CG2-CD2 3.73Å; I187-F191 HydrophobicContact CG2-CE2 3.41Å; I187-F191 VanDerWaalsContact CG2-CE2 3.41Å; I187-F191 HydrophobicContact CG2-CZ 4.44Å; I187-F191 WeakPolarHBondContact O-CD2 3.19Å; I187-F191 PolarHBondContact O-N 3.33Å
188D80Confident70.1Confident39 Ų3942.9 Ų42.921%0.20928%0.283CS..Hα-helixtrans-66.7-42.3177.1-63.1-51.1000111.4C184 L190 F191 D192C184-D188 VanDerWaalsContact C-OD2 3.29Å; C184-D188 VanDerWaalsContact CB-OD2 3.23Å; C184-D188 WeakPolarHBondContact CB-OD2 3.4Å; C184-D188 PolarHBondContact O-N 3.34Å; C184-D188 VanDerWaalsContact O-OD2 3.11Å; D188-L190 VanDerWaalsContact C-N 3.29Å; D188-L190 PolarHBondContact O-N 2.96Å; D188-F191 PolarHBondContact O-N 3.44Å; D188-D192 PolarHBondContact O-N 3.36Å
189S84Confident72.7Confident31 Ų3145.2 Ų45.222%0.21727%0.273CS..Hα-helixtrans-62-35172.6-59.50000112.6F185 F193F185-S189 WeakPolarHBondContact O-CB 3.44Å; F185-S189 PolarHBondContact O-N 2.92Å; F185-S189 PolarHBondContact O-OG 2.78Å; S189-F193 WeakPolarHBondContact O-CB 3.46Å; S189-F193 PolarHBondContact O-N 2.96Å
190L82Confident75.1Confident5 Ų544.2 Ų44.23%0.02625%0.253CS..Hα-helixtrans-70.2-40.5175.6178.359.6000111.4P87 L145 L159 L186 I187 D188 F193 I194 L268P87-L190 HydrophobicContact CG-CD2 3.7Å; L145-L190 HydrophobicContact CD1-CD1 4.3Å; L145-L190 HydrophobicContact CD2-CD1 3.85Å; L145-L190 HydrophobicContact CD2-CD2 4.32Å; L145-L190 HydrophobicContact CG-CD1 4.49Å; L159-L190 HydrophobicContact CD2-CD2 3.68Å; L159-L190 HydrophobicContact CD2-CG 4.41Å; L186-L190 VanDerWaalsContact O-CB 3.27Å; L186-L190 WeakPolarHBondContact O-CB 3.47Å; L186-L190 PolarHBondContact O-N 2.79Å; I187-L190 PolarHBondContact O-N 3.02Å; D188-L190 VanDerWaalsContact C-N 3.29Å; D188-L190 PolarHBondContact O-N 2.96Å; L190-F193 PolarHBondContact O-N 2.93Å; L190-I194 HydrophobicContact CD1-CD1 3.83Å; L190-I194 HydrophobicContact CD1-CG1 4.11Å; L190-I194 HydrophobicContact CG-CD1 3.94Å; L190-I194 VanDerWaalsContact O-CG1 3.29Å; L190-I194 WeakPolarHBondContact O-CG1 3.15Å; L190-I194 PolarHBondContact O-N 3.12Å; L190-L268 HydrophobicContact CB-CD2 4.31Å; L190-L268 HydrophobicContact CD1-CD1 4.23Å
191F82.6Confident77.3Confident2 Ų244.3 Ų44.31%0.00925%0.246CC..Hα-helixtrans-62.6-44.5172.7-78.8-56.7000111.9F152 K157 L159 R169 I187 D188 I194 D195F152-F191 AromaticContact CD2-CD1 3.93Å; F152-F191 HydrophobicContact CD2-CD1 3.93Å; F152-F191 AromaticContact CD2-CE1 3.85Å; F152-F191 HydrophobicContact CD2-CE1 3.85Å; F152-F191 AromaticContact CE2-CD1 3.45Å; F152-F191 HydrophobicContact CE2-CD1 3.45Å; F152-F191 VanDerWaalsContact CE2-CD1 3.45Å; F152-F191 AromaticContact CE2-CE1 3.62Å; F152-F191 HydrophobicContact CE2-CE1 3.62Å; F152-F191 HydrophobicContact CZ-CD1 4.35Å; K157-F191 WeakPolarHBondContact O-CE1 3.41Å; L159-F191 HydrophobicContact CB-CE1 3.76Å; L159-F191 HydrophobicContact CB-CZ 4.03Å; R169-F191 HydrophobicContact CB-CD2 3.73Å; R169-F191 HydrophobicContact CB-CE2 3.92Å; R169-F191 HydrophobicContact CB-CG 4.17Å; R169-F191 HydrophobicContact CG-CB 4.38Å; R169-F191 HydrophobicContact CG-CD2 3.92Å; R169-F191 HydrophobicContact CG-CG 4.31Å; R169-F191 VanDerWaalsContact N-CE2 3.34Å; I187-F191 HydrophobicContact CG2-CD2 3.73Å; I187-F191 HydrophobicContact CG2-CE2 3.41Å; I187-F191 VanDerWaalsContact CG2-CE2 3.41Å; I187-F191 HydrophobicContact CG2-CZ 4.44Å; I187-F191 WeakPolarHBondContact O-CD2 3.19Å; I187-F191 PolarHBondContact O-N 3.33Å; D188-F191 PolarHBondContact O-N 3.44Å; F191-I194 PolarHBondContact O-N 2.85Å; F191-D195 WeakPolarHBondContact O-CB 3.49Å; F191-D195 PolarHBondContact O-N 3.22Å
192D87.1Confident79.5Confident60 Ų6042.2 Ų42.232%0.32122%0.22SC..Hα-helixtrans-62.2-43.7174.6-79.3-40.7000112R169 D188 D195 H196R169-D192 IonicContact CZ-OD1 3.21Å; R169-D192 IonicContact CZ-OD2 3.69Å; R169-D192 IonicContact NH1-OD1 2.71Å; R169-D192 PolarHBondContact NH1-OD1 3.21Å; R169-D192 IonicContact NH1-OD2 3.9Å; R169-D192 IonicContact NH2-OD1 2.83Å; R169-D192 PolarHBondContact NH2-OD1 3.41Å; R169-D192 IonicContact NH2-OD2 2.77Å; R169-D192 PolarHBondContact NH2-OD2 3.08Å; D188-D192 PolarHBondContact O-N 3.36Å; D192-D195 PolarHBondContact O-N 3.2Å; D192-H196 PolarHBondContact O-N 3.23Å; D192-H196 PolarHBondContact O-ND1 3.38Å
193F88.4Confident81.5Confident7 Ų740.7 Ų40.73%0.03121%0.208CC..Hα-helixtrans-59.7-48.6175.9175.1-94.6000111.9L146 S189 L190 H196 F197 K261 D264 L265 L268L146-F193 HydrophobicContact CD2-CE1 4.04Å; L146-F193 HydrophobicContact CD2-CZ 3.93Å; S189-F193 WeakPolarHBondContact O-CB 3.46Å; S189-F193 PolarHBondContact O-N 2.96Å; L190-F193 PolarHBondContact O-N 2.93Å; F193-H196 PolarHBondContact O-N 3.35Å; F193-F197 HydrophobicContact CE1-CB 4.24Å; F193-F197 HydrophobicContact CE1-CG 4.35Å; F193-F197 HydrophobicContact CZ-CB 4.31Å; F193-F197 AromaticContact CZ-CD2 3.95Å; F193-F197 HydrophobicContact CZ-CD2 3.95Å; F193-F197 HydrophobicContact CZ-CG 4.22Å; F193-F197 WeakPolarHBondContact O-CB 3.33Å; F193-F197 PolarHBondContact O-N 3.15Å; F193-K261 HydrophobicContact CD2-CD 4.04Å; F193-K261 HydrophobicContact CE2-CB 4.08Å; F193-K261 HydrophobicContact CE2-CD 3.65Å; F193-K261 HydrophobicContact CE2-CG 4.39Å; F193-D264 HydrophobicContact CD2-CB 3.6Å; F193-D264 HydrophobicContact CE2-CB 3.9Å; F193-L265 HydrophobicContact CE1-CD2 3.74Å; F193-L265 HydrophobicContact CE1-CG 4.38Å; F193-L265 HydrophobicContact CE2-CD2 4.04Å; F193-L265 HydrophobicContact CE2-CG 3.82Å; F193-L265 HydrophobicContact CZ-CD1 4.12Å; F193-L265 HydrophobicContact CZ-CD2 3.46Å; F193-L265 VanDerWaalsContact CZ-CD2 3.46Å; F193-L265 HydrophobicContact CZ-CG 3.59Å; F193-L268 HydrophobicContact CB-CD1 3.63Å; F193-L268 HydrophobicContact CD1-CD1 4.01Å; F193-L268 HydrophobicContact CD2-CD1 4.18Å; F193-L268 HydrophobicContact CG-CD1 3.65Å
194I84.5Confident83.5Confident0 Ų041.3 Ų41.30%021%0.212CC..Hα-helixtrans-65.5-44.3-179.3-65.8168000110.9F152 L159 L190 F191 H196 F197 T198F152-I194 HydrophobicContact CB-CG2 3.71Å; F152-I194 HydrophobicContact CD1-CG2 3.44Å; F152-I194 VanDerWaalsContact CD1-CG2 3.44Å; F152-I194 HydrophobicContact CD2-CG2 4.47Å; F152-I194 HydrophobicContact CE1-CG2 4.08Å; F152-I194 HydrophobicContact CG-CG2 3.63Å; L159-I194 HydrophobicContact CD1-CD1 4.31Å; L190-I194 HydrophobicContact CD1-CD1 3.83Å; L190-I194 HydrophobicContact CD1-CG1 4.11Å; L190-I194 HydrophobicContact CG-CD1 3.94Å; L190-I194 VanDerWaalsContact O-CG1 3.29Å; L190-I194 WeakPolarHBondContact O-CG1 3.15Å; L190-I194 PolarHBondContact O-N 3.12Å; F191-I194 PolarHBondContact O-N 2.85Å; I194-H196 PolarHBondContact O-N 2.9Å; I194-F197 PolarHBondContact O-N 2.82Å; I194-T198 WeakPolarHBondContact O-CB 3.32Å; I194-T198 PolarHBondContact O-N 3.4Å; I194-T198 PolarHBondContact O-OG1 2.9Å
195D84.3Confident85Confident24 Ų2442.3 Ų42.313%0.12822%0.216CC..Hα-helixtrans-57.7-47.9177.6-94.5-25.8000111.5F152 K157 F191 D192 M199F152-D195 WeakPolarHBondContact CE1-OD1 3.41Å; F152-D195 WeakPolarHBondContact CZ-OD1 3.32Å; K157-D195 IonicContact NZ-OD1 2.62Å; K157-D195 PolarHBondContact NZ-OD1 2.86Å; K157-D195 IonicContact NZ-OD2 2.72Å; K157-D195 PolarHBondContact NZ-OD2 2.94Å; F191-D195 WeakPolarHBondContact O-CB 3.49Å; F191-D195 PolarHBondContact O-N 3.22Å; D192-D195 PolarHBondContact O-N 3.2Å; D195-M199 WeakPolarHBondContact O-CG 3.31Å; D195-M199 PolarHBondContact O-N 3.08Å
196H87.6Confident86Confident104 Ų10436.5 Ų36.548%0.48119%0.19SC..Hα-helixtrans-69.6-33.6177.5-69.588.7000112.9D192 F193 I194D192-H196 PolarHBondContact O-N 3.23Å; D192-H196 PolarHBondContact O-ND1 3.38Å; F193-H196 PolarHBondContact O-N 3.35Å; I194-H196 PolarHBondContact O-N 2.9Å
197F89.5Confident87Confident7 Ų737 Ų373%0.03119%0.193CC..Hα-helixtrans-73-43-179.6-168.7-95.3000112L146 F193 I194 M199 L200 V202 L207 F210 L258 K261L146-F197 HydrophobicContact CD2-CD1 4.18Å; L146-F197 HydrophobicContact CD2-CD2 4.25Å; L146-F197 HydrophobicContact CD2-CE1 3.77Å; L146-F197 HydrophobicContact CD2-CE2 3.86Å; L146-F197 HydrophobicContact CD2-CG 4.41Å; L146-F197 HydrophobicContact CD2-CZ 3.6Å; F193-F197 HydrophobicContact CE1-CB 4.24Å; F193-F197 HydrophobicContact CE1-CG 4.35Å; F193-F197 HydrophobicContact CZ-CB 4.31Å; F193-F197 AromaticContact CZ-CD2 3.95Å; F193-F197 HydrophobicContact CZ-CD2 3.95Å; F193-F197 HydrophobicContact CZ-CG 4.22Å; F193-F197 WeakPolarHBondContact O-CB 3.33Å; F193-F197 PolarHBondContact O-N 3.15Å; I194-F197 PolarHBondContact O-N 2.82Å; F197-M199 PolarHBondContact O-N 3.14Å; F197-L200 HydrophobicContact CD2-CD1 4.19Å; F197-L200 HydrophobicContact CE2-CD1 4.46Å; F197-L200 VanDerWaalsContact O-CB 3.32Å; F197-L200 WeakPolarHBondContact O-CB 3.38Å; F197-L200 PolarHBondContact O-N 2.82Å; F197-V202 HydrophobicContact CE1-CG2 4.2Å; F197-V202 HydrophobicContact CE2-CG2 4.42Å; F197-V202 HydrophobicContact CZ-CG2 3.92Å; F197-L207 HydrophobicContact CE1-CD1 3.84Å; F197-L207 HydrophobicContact CZ-CD1 3.66Å; F197-F210 HydrophobicContact CE2-CD1 4.17Å; F197-F210 AromaticContact CE2-CE1 3.63Å; F197-F210 HydrophobicContact CE2-CE1 3.63Å; F197-F210 HydrophobicContact CE2-CZ 4.5Å; F197-F210 HydrophobicContact CZ-CD1 4.1Å; F197-F210 HydrophobicContact CZ-CE1 4.01Å; F197-L258 HydrophobicContact CE2-CD2 3.87Å; F197-L258 HydrophobicContact CZ-CD2 4.24Å; F197-K261 HydrophobicContact CD2-CB 4.42Å; F197-K261 HydrophobicContact CD2-CD 4.34Å; F197-K261 HydrophobicContact CD2-CG 4.1Å
198T85Confident88.1Confident45 Ų4536.6 Ų36.628%0.27619%0.191SC..Hα-helixtrans-63.1-31.2176.4-59.90000111.8M154 I194 L200 Q201M154-T198 HydrophobicContact CE-CG2 4.1Å; M154-T198 HydrophobicContact SD-CG2 3.62Å; I194-T198 WeakPolarHBondContact O-CB 3.32Å; I194-T198 PolarHBondContact O-N 3.4Å; I194-T198 PolarHBondContact O-OG1 2.9Å; T198-L200 PolarHBondContact O-N 3.02Å; T198-Q201 PolarHBondContact O-N 2.68Å
199M86.5Confident88.9Confident133 Ų13334.8 Ų34.866%0.65518%0.181SC*.THydrogen-bonded Turntrans-65.6-17.9172.4-75.1-178.164.800114.4D195 F197 Q201D195-M199 WeakPolarHBondContact O-CG 3.31Å; D195-M199 PolarHBondContact O-N 3.08Å; F197-M199 PolarHBondContact O-N 3.14Å; M199-Q201 VanDerWaalsContact C-N 3.29Å; M199-Q201 PolarHBondContact O-N 2.94Å
200L87.9Confident89.6Confident39 Ų3933.3 Ų33.320%0.20417%0.171CC..THydrogen-bonded Turntrans-75.9-13.4174.8-60178.4000113.5F197 T198 V202 L254 L258 K261F197-L200 HydrophobicContact CD2-CD1 4.19Å; F197-L200 HydrophobicContact CE2-CD1 4.46Å; F197-L200 VanDerWaalsContact O-CB 3.32Å; F197-L200 WeakPolarHBondContact O-CB 3.38Å; F197-L200 PolarHBondContact O-N 2.82Å; T198-L200 PolarHBondContact O-N 3.02Å; L200-V202 HydrophobicContact CB-CG2 3.76Å; L200-V202 PolarHBondContact O-N 3.34Å; L200-V202 VanDerWaalsContact O-N 3.14Å; L200-L254 HydrophobicContact CB-CD1 4.1Å; L200-L258 HydrophobicContact CD1-CD2 4.21Å; L200-K261 HydrophobicContact CD1-CG 4.17Å
201Q84.3Confident90.3Very high103 Ų10333 Ų3348%0.48117%0.169SC..  trans5135.3177.6-57.5-164.4-42.200115T198 M199 T203 R620T198-Q201 PolarHBondContact O-N 2.68Å; M199-Q201 VanDerWaalsContact C-N 3.29Å; M199-Q201 PolarHBondContact O-N 2.94Å; Q201-T203 PolarHBondContact O-N 2.9Å; Q201-R620 VanDerWaalsContact OE1-CZ 3.3Å
202V90.6Very high91Very high23 Ų2333 Ų3314%0.13917%0.169CC..  trans-56.9127.6-178.3-164.10000111.2F197 L200 E206 L207 L258F197-V202 HydrophobicContact CE1-CG2 4.2Å; F197-V202 HydrophobicContact CE2-CG2 4.42Å; F197-V202 HydrophobicContact CZ-CG2 3.92Å; L200-V202 HydrophobicContact CB-CG2 3.76Å; L200-V202 PolarHBondContact O-N 3.34Å; L200-V202 VanDerWaalsContact O-N 3.14Å; V202-E206 HydrophobicContact CG1-CB 3.61Å; V202-L207 HydrophobicContact CG1-CB 3.95Å; V202-L258 HydrophobicContact CG1-CD1 4.45Å; V202-L258 HydrophobicContact CG1-CD2 4.33Å; V202-L258 HydrophobicContact CG2-CD2 3.83Å
203T91.6Very high91.5Very high29 Ų2930.2 Ų30.218%0.17815%0.154CC..  trans-76.6158178.467.40000112.2Q201 I205 E206 L207 Q247Q201-T203 PolarHBondContact O-N 2.9Å; T203-I205 PolarHBondContact O-N 2.94Å; T203-I205 VanDerWaalsContact OG1-CG2 3.29Å; T203-I205 WeakPolarHBondContact OG1-CG2 3.11Å; T203-E206 VanDerWaalsContact CB-OE2 3.28Å; T203-E206 WeakPolarHBondContact CB-OE2 3.21Å; T203-E206 WeakPolarHBondContact CG2-OE2 3.48Å; T203-E206 PolarHBondContact N-OE2 2.82Å; T203-E206 PolarHBondContact O-N 3.49Å; T203-E206 VanDerWaalsContact O-N 3.08Å; T203-E206 WeakPolarHBondContact OG1-CG 3.35Å; T203-E206 PolarHBondContact OG1-OE2 2.81Å; T203-L207 VanDerWaalsContact O-CB 3.32Å; T203-L207 WeakPolarHBondContact O-CB 3.35Å; T203-L207 PolarHBondContact O-N 3.28Å; T203-Q247 PolarHBondContact OG1-NE2 3.43Å; T203-Q247 VanDerWaalsContact OG1-NE2 3.1Å; T203-Q247 PolarHBondContact OG1-OE1 3.49Å
204D92.4Very high91.9Very high64 Ų6429.9 Ų29.934%0.34215%0.153SC..Hα-helixtrans-54.4-29.7-178.3-94.3-28.2000113L55 K62 A208L55-D204 HydrophobicContact CD2-CB 4.21Å; K62-D204 IonicContact NZ-OD1 3.81Å; K62-D204 IonicContact NZ-OD2 3.21Å; K62-D204 PolarHBondContact NZ-OD2 3.29Å; D204-A208 VanDerWaalsContact O-CB 3.23Å; D204-A208 WeakPolarHBondContact O-CB 3.23Å; D204-A208 PolarHBondContact O-N 2.88Å
205I94.9Very high92.4Very high36 Ų3630 Ų3019%0.18515%0.153CC..Hα-helixtrans-77.3-40.5177.5-175.1173.6000113.3V47 L51 T203 L209 I243V47-I205 HydrophobicContact CG1-CD1 3.73Å; V47-I205 HydrophobicContact CG1-CG1 4.09Å; L51-I205 HydrophobicContact CD1-CB 4.22Å; L51-I205 HydrophobicContact CD2-CB 4.24Å; L51-I205 HydrophobicContact CD2-CD1 4.33Å; L51-I205 HydrophobicContact CD2-CG1 4.29Å; T203-I205 PolarHBondContact O-N 2.94Å; T203-I205 VanDerWaalsContact OG1-CG2 3.29Å; T203-I205 WeakPolarHBondContact OG1-CG2 3.11Å; I205-L209 PolarHBondContact O-N 2.88Å; I205-L209 VanDerWaalsContact O-N 3.15Å; I205-I243 HydrophobicContact CD1-CD1 3.91Å; I205-I243 HydrophobicContact CD1-CG1 4.35Å; I205-I243 HydrophobicContact CD1-CG2 4.22Å; I205-I243 HydrophobicContact CG1-CG2 4.2Å; I205-I243 HydrophobicContact CG2-CG2 4.09Å
206E95.3Very high93Very high0 Ų028.8 Ų28.80%015%0.147CC..Hα-helixtrans-69.2-39.7174.1-65.3163.1123.600110.5V202 T203 L209 F210 L240 I243 I244 H248 L254V202-E206 HydrophobicContact CG1-CB 3.61Å; T203-E206 VanDerWaalsContact CB-OE2 3.28Å; T203-E206 WeakPolarHBondContact CB-OE2 3.21Å; T203-E206 WeakPolarHBondContact CG2-OE2 3.48Å; T203-E206 PolarHBondContact N-OE2 2.82Å; T203-E206 PolarHBondContact O-N 3.49Å; T203-E206 VanDerWaalsContact O-N 3.08Å; T203-E206 WeakPolarHBondContact OG1-CG 3.35Å; T203-E206 PolarHBondContact OG1-OE2 2.81Å; E206-L209 PolarHBondContact O-N 3.17Å; E206-F210 VanDerWaalsContact O-CB 3.23Å; E206-F210 WeakPolarHBondContact O-CB 3.49Å; E206-F210 PolarHBondContact O-N 2.68Å; E206-L240 HydrophobicContact CB-CD1 3.87Å; E206-L240 HydrophobicContact CG-CD1 4.12Å; E206-I243 HydrophobicContact CG-CG2 3.86Å; E206-I244 HydrophobicContact CG-CG1 4.22Å; E206-I244 VanDerWaalsContact OE1-CG1 3.26Å; E206-I244 WeakPolarHBondContact OE1-CG1 3.32Å; E206-H248 IonicContact OE1-CD2 2.77Å; E206-H248 PolarHBondContact OE1-CD2 2.94Å; E206-H248 VanDerWaalsContact OE1-CD2 3.25Å; E206-L254 WeakPolarHBondContact OE1-CD2 3.47Å
207L94.7Very high93.4Very high17 Ų1724.2 Ų24.29%0.08913%0.127CC..Hα-helixtrans-68.5-34.4178-170.555.1000112Y54 L146 F197 V202 T203 F210 S211Y54-L207 HydrophobicContact CE2-CG 4.35Å; Y54-L207 WeakPolarHBondContact OH-CD2 3.45Å; Y54-L207 WeakPolarHBondContact OH-CG 3.37Å; L146-L207 HydrophobicContact CD1-CD1 4.24Å; F197-L207 HydrophobicContact CE1-CD1 3.84Å; F197-L207 HydrophobicContact CZ-CD1 3.66Å; V202-L207 HydrophobicContact CG1-CB 3.95Å; T203-L207 VanDerWaalsContact O-CB 3.32Å; T203-L207 WeakPolarHBondContact O-CB 3.35Å; T203-L207 PolarHBondContact O-N 3.28Å; L207-F210 HydrophobicContact CD1-CD1 4.37Å; L207-S211 VanDerWaalsContact O-CB 3.24Å; L207-S211 WeakPolarHBondContact O-CB 3.47Å; L207-S211 PolarHBondContact O-N 2.87Å; L207-S211 PolarHBondContact O-OG 3.39Å
208A96.6Very high93.6Very high0 Ų025.6 Ų25.60%014%0.137CC..Hα-helixtrans-62.7-48.3170.300000112.1I50 Y54 D204 S211 A212I50-A208 HydrophobicContact CG2-CB 3.97Å; Y54-A208 VanDerWaalsContact CB-CB 3.41Å; Y54-A208 HydrophobicContact CD1-CB 3.79Å; Y54-A208 HydrophobicContact CD2-CB 3.97Å; Y54-A208 HydrophobicContact CG-CB 3.43Å; Y54-A208 VanDerWaalsContact CG-CB 3.43Å; D204-A208 VanDerWaalsContact O-CB 3.23Å; D204-A208 WeakPolarHBondContact O-CB 3.23Å; D204-A208 PolarHBondContact O-N 2.88Å; A208-S211 PolarHBondContact O-N 3.18Å; A208-A212 PolarHBondContact O-N 3.24Å
209L97.6Very high94Very high1 Ų127.1 Ų27.11%0.00515%0.149CC..Hα-helixtrans-66.7-40.9177.5-75166.4000112V47 I50 I205 E206 A212 I213 L236 L239 L240 I243V47-L209 HydrophobicContact CG2-CD1 4.24Å; V47-L209 HydrophobicContact CG2-CD2 4.23Å; I50-L209 HydrophobicContact CD1-CD2 4Å; I50-L209 HydrophobicContact CG2-CD2 4.22Å; I50-L209 HydrophobicContact CG2-CG 4.5Å; I205-L209 PolarHBondContact O-N 2.88Å; I205-L209 VanDerWaalsContact O-N 3.15Å; E206-L209 PolarHBondContact O-N 3.17Å; L209-A212 WeakPolarHBondContact O-CB 3.42Å; L209-A212 PolarHBondContact O-N 2.9Å; L209-I213 WeakPolarHBondContact O-CG1 3.32Å; L209-I213 PolarHBondContact O-N 3.46Å; L209-L236 HydrophobicContact CD2-CD2 4.31Å; L209-L239 HydrophobicContact CD2-CB 4.29Å; L209-L240 HydrophobicContact CB-CB 4.19Å; L209-L240 HydrophobicContact CB-CD1 4.07Å; L209-L240 HydrophobicContact CD1-CB 4.48Å; L209-L240 HydrophobicContact CD1-CD1 4.49Å; L209-I243 HydrophobicContact CD1-CB 4.25Å; L209-I243 HydrophobicContact CD1-CG1 3.8Å
210F97.4Very high94.2Very high0 Ų021.6 Ų21.60%012%0.122CC..Hα-helixtrans-63-43.9175.6-175.9-122.6000111.9L146 F197 E206 L207 A212 I213 I214 L240 L258 M259 K261 I262 L265L146-F210 HydrophobicContact CD1-CD1 3.81Å; L146-F210 HydrophobicContact CD1-CE1 3.9Å; L146-F210 HydrophobicContact CD2-CE1 4.33Å; F197-F210 HydrophobicContact CE2-CD1 4.17Å; F197-F210 AromaticContact CE2-CE1 3.63Å; F197-F210 HydrophobicContact CE2-CE1 3.63Å; F197-F210 HydrophobicContact CE2-CZ 4.5Å; F197-F210 HydrophobicContact CZ-CD1 4.1Å; F197-F210 HydrophobicContact CZ-CE1 4.01Å; E206-F210 VanDerWaalsContact O-CB 3.23Å; E206-F210 WeakPolarHBondContact O-CB 3.49Å; E206-F210 PolarHBondContact O-N 2.68Å; L207-F210 HydrophobicContact CD1-CD1 4.37Å; F210-A212 VanDerWaalsContact C-N 3.27Å; F210-A212 PolarHBondContact O-N 3.43Å; F210-I213 PolarHBondContact O-N 3.16Å; F210-I213 VanDerWaalsContact O-N 3.16Å; F210-I214 HydrophobicContact CD1-CD1 3.78Å; F210-I214 HydrophobicContact CD2-CD1 4.36Å; F210-I214 HydrophobicContact CE1-CD1 3.54Å; F210-I214 HydrophobicContact CE2-CD1 4.14Å; F210-I214 HydrophobicContact CE2-CG1 4.47Å; F210-I214 HydrophobicContact CG-CD1 4.19Å; F210-I214 HydrophobicContact CZ-CD1 3.73Å; F210-I214 HydrophobicContact CZ-CG1 4.44Å; F210-I214 WeakPolarHBondContact O-CG1 3.3Å; F210-I214 PolarHBondContact O-N 2.88Å; F210-L240 HydrophobicContact CB-CD2 4.4Å; F210-L258 HydrophobicContact CD1-CD2 4.02Å; F210-L258 HydrophobicContact CD2-CB 4.02Å; F210-L258 HydrophobicContact CD2-CD2 4.32Å; F210-L258 HydrophobicContact CE1-CD2 4.08Å; F210-L258 HydrophobicContact CE2-CB 3.89Å; F210-L258 HydrophobicContact CE2-CD2 4.39Å; F210-L258 WeakPolarHBondContact CE2-O 3.22Å; F210-L258 HydrophobicContact CG-CD2 4.14Å; F210-L258 HydrophobicContact CZ-CB 4.39Å; F210-L258 HydrophobicContact CZ-CD2 4.27Å; F210-L258 WeakPolarHBondContact CZ-O 3.39Å; F210-M259 HydrophobicContact CD2-CE 3.98Å; F210-M259 HydrophobicContact CE2-CE 4.01Å; F210-K261 HydrophobicContact CZ-CB 4.13Å; F210-I262 HydrophobicContact CE2-CD1 4.06Å; F210-I262 HydrophobicContact CE2-CG1 3.74Å; F210-I262 HydrophobicContact CZ-CG1 4.01Å; F210-L265 HydrophobicContact CE1-CD1 4.46Å
211S96.6Very high94.3Very high0 Ų025.5 Ų25.50%015%0.149CC..Hα-helixtrans-59.6-37.6173-61.50000112L207 A208 I214 L215L207-S211 VanDerWaalsContact O-CB 3.24Å; L207-S211 WeakPolarHBondContact O-CB 3.47Å; L207-S211 PolarHBondContact O-N 2.87Å; L207-S211 PolarHBondContact O-OG 3.39Å; A208-S211 PolarHBondContact O-N 3.18Å; S211-I214 PolarHBondContact O-N 2.94Å; S211-L215 WeakPolarHBondContact O-CG 3.32Å; S211-L215 PolarHBondContact O-N 3.31Å; S211-L215 VanDerWaalsContact O-N 3.15Å
212A97.6Very high94.6Very high0 Ų023.6 Ų23.60%016%0.157CC..Hα-helixtrans-67.1-42.8173.600000112.5I50 F117 I121 A208 L209 F210 I214 L215 I216 L236I50-A212 HydrophobicContact CG2-CB 4.36Å; F117-A212 HydrophobicContact CZ-CB 4.25Å; I121-A212 HydrophobicContact CD1-CB 3.75Å; I121-A212 HydrophobicContact CG1-CB 4.48Å; A208-A212 PolarHBondContact O-N 3.24Å; L209-A212 WeakPolarHBondContact O-CB 3.42Å; L209-A212 PolarHBondContact O-N 2.9Å; F210-A212 VanDerWaalsContact C-N 3.27Å; F210-A212 PolarHBondContact O-N 3.43Å; A212-I214 VanDerWaalsContact C-N 3.28Å; A212-I214 PolarHBondContact O-N 3.3Å; A212-L215 PolarHBondContact O-N 2.74Å; A212-I216 WeakPolarHBondContact O-CB 3.33Å; A212-I216 VanDerWaalsContact O-CG1 3.3Å; A212-I216 WeakPolarHBondContact O-CG1 3.32Å; A212-I216 PolarHBondContact O-N 3.47Å; A212-L236 HydrophobicContact CB-CD1 4.22Å; A212-L236 HydrophobicContact CB-CD2 3.77Å
213I97.6Very high94.7Very high2 Ų223.5 Ų23.51%0.0116%0.156CC..Hα-helixtrans-58.3-40.6174.9-66.8167.1000111.2L209 F210 I216 S217 N233 L236 K237 L240 M259 I262L209-I213 WeakPolarHBondContact O-CG1 3.32Å; L209-I213 PolarHBondContact O-N 3.46Å; F210-I213 PolarHBondContact O-N 3.16Å; F210-I213 VanDerWaalsContact O-N 3.16Å; I213-I216 CarbonylContact O-C 3.53Å; I213-S217 PolarHBondContact O-OG 3.43Å; I213-N233 PolarHBondContact O-ND2 2.99Å; I213-L236 HydrophobicContact CD1-CB 4.47Å; I213-L236 HydrophobicContact CG1-CB 3.6Å; I213-K237 HydrophobicContact CD1-CG 4.13Å; I213-K237 HydrophobicContact CG2-CG 4.46Å; I213-L240 HydrophobicContact CD1-CB 4.13Å; I213-L240 HydrophobicContact CD1-CD2 3.6Å; I213-M259 HydrophobicContact CD1-CE 4.08Å; I213-M259 HydrophobicContact CG2-CE 4.45Å; I213-I262 HydrophobicContact CG2-CD1 4.07Å
214I96.3Very high94.7Very high0 Ų027.8 Ų27.80%017%0.172CC..Hα-helixtrans-64.8-44.7178.5-72.9161000111.6E142 V143 L146 F210 S211 A212 S217 R220 I262 L265E142-I214 HydrophobicContact CB-CG2 3.61Å; E142-I214 VanDerWaalsContact OE2-CG2 3.31Å; E142-I214 WeakPolarHBondContact OE2-CG2 3.34Å; V143-I214 HydrophobicContact CG2-CB 4.3Å; V143-I214 HydrophobicContact CG2-CG2 3.88Å; L146-I214 HydrophobicContact CD1-CD1 3.47Å; L146-I214 VanDerWaalsContact CD1-CD1 3.47Å; F210-I214 HydrophobicContact CD1-CD1 3.78Å; F210-I214 HydrophobicContact CD2-CD1 4.36Å; F210-I214 HydrophobicContact CE1-CD1 3.54Å; F210-I214 HydrophobicContact CE2-CD1 4.14Å; F210-I214 HydrophobicContact CE2-CG1 4.47Å; F210-I214 HydrophobicContact CG-CD1 4.19Å; F210-I214 HydrophobicContact CZ-CD1 3.73Å; F210-I214 HydrophobicContact CZ-CG1 4.44Å; F210-I214 WeakPolarHBondContact O-CG1 3.3Å; F210-I214 PolarHBondContact O-N 2.88Å; S211-I214 PolarHBondContact O-N 2.94Å; A212-I214 VanDerWaalsContact C-N 3.28Å; A212-I214 PolarHBondContact O-N 3.3Å; I214-S217 PolarHBondContact O-OG 3.1Å; I214-R220 PolarHBondContact O-NH2 2.86Å; I214-I262 HydrophobicContact CG1-CG1 4.34Å; I214-L265 HydrophobicContact CD1-CD1 3.5Å; I214-L265 VanDerWaalsContact CD1-CD1 3.5Å; I214-L265 HydrophobicContact CG1-CD1 4.31Å
215L95.9Very high94.5Very high2 Ų226.6 Ų26.61%0.0117%0.165CC..Hα-helixtrans-65.3-49.3176.3-67.9167.8000111.6I114 F117 A118 I121 L135 L136 V140 V143 S211 A212 S217I114-L215 HydrophobicContact CG2-CD2 4.46Å; F117-L215 HydrophobicContact CD1-CD1 3.75Å; F117-L215 HydrophobicContact CE1-CD1 3.54Å; A118-L215 HydrophobicContact CB-CD1 3.94Å; I121-L215 HydrophobicContact CD1-CD1 4.18Å; L135-L215 WeakPolarHBondContact CD2-O 3.24Å; L136-L215 HydrophobicContact CD2-CD2 4.27Å; V140-L215 HydrophobicContact CG2-CD2 4.5Å; V143-L215 HydrophobicContact CG2-CD1 4.28Å; V143-L215 HydrophobicContact CG2-CD2 3.96Å; V143-L215 HydrophobicContact CG2-CG 3.79Å; S211-L215 WeakPolarHBondContact O-CG 3.32Å; S211-L215 PolarHBondContact O-N 3.31Å; S211-L215 VanDerWaalsContact O-N 3.15Å; A212-L215 PolarHBondContact O-N 2.74Å; L215-S217 PolarHBondContact O-N 3.05Å
216I96.4Very high94.4Very high0 Ų026.7 Ų26.70%017%0.172CC..THydrogen-bonded Turntrans-85.844.1-174.3-49.2-54.3000111I121 F124 L135 A212 I213 V229 F232 N233 L236I121-I216 HydrophobicContact CD1-CG1 4.49Å; F124-I216 HydrophobicContact CD2-CD1 3.42Å; F124-I216 VanDerWaalsContact CD2-CD1 3.42Å; F124-I216 HydrophobicContact CE2-CD1 3.96Å; F124-I216 HydrophobicContact CG-CD1 4.36Å; L135-I216 HydrophobicContact CD1-CD1 4.31Å; A212-I216 WeakPolarHBondContact O-CB 3.33Å; A212-I216 VanDerWaalsContact O-CG1 3.3Å; A212-I216 WeakPolarHBondContact O-CG1 3.32Å; A212-I216 PolarHBondContact O-N 3.47Å; I213-I216 CarbonylContact O-C 3.53Å; I216-V229 HydrophobicContact CG2-CG1 4.12Å; I216-F232 HydrophobicContact CD1-CE1 4.03Å; I216-F232 HydrophobicContact CG1-CD1 4.46Å; I216-F232 HydrophobicContact CG1-CE1 4.13Å; I216-F232 HydrophobicContact CG2-CB 3.96Å; I216-F232 HydrophobicContact CG2-CD1 3.31Å; I216-F232 HydrophobicContact CG2-CE1 3.83Å; I216-F232 HydrophobicContact CG2-CG 3.72Å; I216-N233 WeakPolarHBondContact O-CB 3.42Å; I216-N233 PolarHBondContact O-ND2 3.39Å; I216-L236 HydrophobicContact CB-CD1 3.81Å; I216-L236 HydrophobicContact CG1-CD1 3.81Å; I216-L236 HydrophobicContact CG2-CD1 4.13Å
217S95.5Very high94.3Very high8 Ų832.9 Ų32.96%0.05621%0.205CC..  trans-81127178-67.90000112L135 I213 I214 L215 S219 R220 R266L135-S217 WeakPolarHBondContact CD2-O 3.41Å; I213-S217 PolarHBondContact O-OG 3.43Å; I214-S217 PolarHBondContact O-OG 3.1Å; L215-S217 PolarHBondContact O-N 3.05Å; S217-S219 PolarHBondContact O-N 3.15Å; S217-R220 WeakPolarHBondContact O-CG 3.33Å; S217-R266 VanDerWaalsContact CB-NH2 3.28Å; S217-R266 PolarHBondContact OG-NH2 3.18Å
218S95Very high94.2Very high35 Ų3532.9 Ų32.925%0.24521%0.205CC..SBendtrans-66-24.917059.50000113.4R220 L223 E230S218-R220 PolarHBondContact O-N 3.19Å; S218-L223 WeakPolarHBondContact O-CD1 3.19Å; S218-E230 WeakPolarHBondContact CB-OE2 3.43Å; S218-E230 PolarHBondContact OG-OE2 3.32Å
219S92.2Very high94.1Very high77 Ų7732.9 Ų32.954%0.53821%0.205SC..  trans-72.421.6-175.3850000114.9S217 R266S217-S219 PolarHBondContact O-N 3.15Å; S219-R266 PolarHBondContact OG-NH2 2.97Å
220R91.4Very high94Very high18 Ų1835.8 Ų35.87%0.06822%0.218CC..SBendtrans-98.5129.9180-51.7-54.8-171.8165.5-1.5109.7I134 L135 A138 G139 E142 I214 S217 S218 L223 R266I134-R220 HydrophobicContact CG2-CB 3.79Å; L135-R220 HydrophobicContact CD2-CG 4.07Å; A138-R220 HydrophobicContact CB-CG 4.18Å; G139-R220 VanDerWaalsContact CA-NH2 3.34Å; E142-R220 IonicContact OE1-CZ 2.78Å; E142-R220 IonicContact OE1-NH1 3.73Å; E142-R220 PolarHBondContact OE1-NH1 2.99Å; E142-R220 IonicContact OE1-NH2 2.79Å; E142-R220 IonicContact OE2-CZ 3.66Å; E142-R220 IonicContact OE2-NH1 3.43Å; E142-R220 PolarHBondContact OE2-NH1 3.32Å; E142-R220 IonicContact OE2-NH2 2.68Å; E142-R220 PolarHBondContact OE2-NH2 3.32Å; I214-R220 PolarHBondContact O-NH2 2.86Å; S217-R220 WeakPolarHBondContact O-CG 3.33Å; S218-R220 PolarHBondContact O-N 3.19Å; R220-L223 HydrophobicContact CB-CD1 4.13Å; R220-L223 HydrophobicContact CB-CG 4.25Å; R220-L223 WeakPolarHBondContact O-CG 3.34Å; R220-R266 VanDerWaalsContact NH2-NH1 3.17Å
221P90Very high93.9Very high121 Ų12143.4 Ų43.479%0.78625%0.251SS*.THydrogen-bonded Turntrans-66.1140.1-179.727.1-34.3000111.7
222G91.1Very high93.8Very high62 Ų6243.4 Ų43.464%0.63925%0.251SS*.THydrogen-bonded Turntrans892.6174.600000116.4I134I134-G222 WeakPolarHBondContact CD1-O 3.29Å
223L92.6Very high93.7Very high22 Ų2243.7 Ų43.712%0.11525%0.253CS..  trans-60.4134.8171.8-68.2173.5000111D131 I134 L135 S218 R220 A226 V229D131-L223 HydrophobicContact CB-CD2 3.85Å; I134-L223 HydrophobicContact CB-CD2 3.94Å; I134-L223 HydrophobicContact CG2-CD2 3.67Å; I134-L223 HydrophobicContact CG2-CG 4.04Å; L135-L223 HydrophobicContact CD2-CD1 4.12Å; L135-L223 HydrophobicContact CD2-CD2 4.04Å; L135-L223 HydrophobicContact CG-CD2 4.01Å; S218-L223 WeakPolarHBondContact O-CD1 3.19Å; R220-L223 HydrophobicContact CB-CD1 4.13Å; R220-L223 HydrophobicContact CB-CG 4.25Å; R220-L223 WeakPolarHBondContact O-CG 3.34Å; L223-A226 HydrophobicContact CB-CB 4.32Å; L223-V229 HydrophobicContact CD1-CB 4.46Å; L223-V229 HydrophobicContact CD1-CG1 4.38Å; L223-V229 HydrophobicContact CD1-CG2 4.32Å
224K90.5Very high93.6Very high119 Ų11947.3 Ų47.352%0.51727%0.27SS..SBendtrans-75.2-44.9175.9-64.6179.4176.6179.90111.8P128 E130 D131P128-K224 HydrophobicContact CB-CD 4.49Å; E130-K224 IonicContact OE1-NZ 2.77Å; E130-K224 PolarHBondContact OE1-NZ 2.72Å; E130-K224 IonicContact OE2-NZ 2.81Å; E130-K224 PolarHBondContact OE2-NZ 3.47Å; D131-K224 WeakPolarHBondContact OD1-CB 3.44Å; D131-K224 PolarHBondContact OD1-N 2.99Å; D131-K224 PolarHBondContact OD2-N 3.22Å
225N89.1Confident93.6Very high38 Ų3850.2 Ų50.220%0.20328%0.281CS..SBendtrans-114.253.3-173.8-66.2-9.9000111.4Q32 P128 D131 D227 L228 V229Q32-N225 PolarHBondContact OE1-ND2 3.4Å; P128-N225 WeakPolarHBondContact CG-ND2 3.49Å; D131-N225 PolarHBondContact OD2-N 2.89Å; N225-D227 VanDerWaalsContact C-N 3.31Å; N225-D227 PolarHBondContact O-N 3.37Å; N225-L228 HydrophobicContact CB-CB 4.05Å; N225-L228 WeakPolarHBondContact O-CB 3.24Å; N225-L228 PolarHBondContact O-N 3.29Å; N225-V229 PolarHBondContact O-N 3.34Å; N225-V229 VanDerWaalsContact O-N 3.12Å
226A93.6Very high93.7Very high39 Ų3950.1 Ų50.132%0.32228%0.28SS..Hα-helixtrans-54-40.7-174.600000114L223 L228 V229 E230L223-A226 HydrophobicContact CB-CB 4.32Å; A226-L228 VanDerWaalsContact C-N 3.27Å; A226-L228 PolarHBondContact O-N 3.21Å; A226-V229 PolarHBondContact O-N 2.9Å; A226-E230 PolarHBondContact O-N 2.7Å
227D92.5Very high93.7Very high130 Ų13051.9 Ų51.970%0.69529%0.288SS*.Hα-helixtrans-62.4-33.3177.8-53.9-54.8000113.3N225 K231N225-D227 VanDerWaalsContact C-N 3.31Å; N225-D227 PolarHBondContact O-N 3.37Å; D227-K231 VanDerWaalsContact O-CG 3.32Å; D227-K231 WeakPolarHBondContact O-CG 3.35Å; D227-K231 PolarHBondContact O-N 3.48Å; D227-K231 VanDerWaalsContact O-N 3.07Å
228L92.3Very high93.8Very high17 Ų1754.3 Ų54.39%0.08930%0.3CS..Hα-helixtrans-77.2-35.3180-177.2155.9000110Q32 A33 L36 L127 N225 A226 F232Q32-L228 HydrophobicContact CB-CD1 4.18Å; A33-L228 HydrophobicContact CB-CD1 3.99Å; L36-L228 HydrophobicContact CD2-CD2 3.48Å; L36-L228 VanDerWaalsContact CD2-CD2 3.48Å; L36-L228 HydrophobicContact CD2-CG 3.88Å; L127-L228 HydrophobicContact CD2-CD2 3.24Å; N225-L228 HydrophobicContact CB-CB 4.05Å; N225-L228 WeakPolarHBondContact O-CB 3.24Å; N225-L228 PolarHBondContact O-N 3.29Å; A226-L228 VanDerWaalsContact C-N 3.27Å; A226-L228 PolarHBondContact O-N 3.21Å; L228-F232 WeakPolarHBondContact O-CB 3.39Å; L228-F232 PolarHBondContact O-N 3.21Å; L228-F232 VanDerWaalsContact O-N 3.16Å
229V95.5Very high93.8Very high0 Ų052.8 Ų52.80%029%0.289CS..Hα-helixtrans-66.1-41.1168.9179.50000111.4L127 L135 I216 L223 N225 A226 F232 N233L127-V229 HydrophobicContact CD2-CG2 4.42Å; L135-V229 HydrophobicContact CD1-CG1 4.3Å; L135-V229 HydrophobicContact CD1-CG2 4.34Å; L135-V229 HydrophobicContact CD2-CG1 3.99Å; I216-V229 HydrophobicContact CG2-CG1 4.12Å; L223-V229 HydrophobicContact CD1-CB 4.46Å; L223-V229 HydrophobicContact CD1-CG1 4.38Å; L223-V229 HydrophobicContact CD1-CG2 4.32Å; N225-V229 PolarHBondContact O-N 3.34Å; N225-V229 VanDerWaalsContact O-N 3.12Å; A226-V229 PolarHBondContact O-N 2.9Å; V229-F232 WeakPolarHBondContact O-CB 3.41Å; V229-F232 PolarHBondContact O-N 2.84Å; V229-N233 WeakPolarHBondContact O-CB 3.25Å; V229-N233 PolarHBondContact O-N 2.98Å
230E95.6Very high94.1Very high62 Ų6249.1 Ų49.129%0.2926%0.264SS..Hα-helixtrans-66.8-40.8177.8-174.154.3-151.700112.1S218 A226 F232 N233 Q234 K237S218-E230 WeakPolarHBondContact CB-OE2 3.43Å; S218-E230 PolarHBondContact OG-OE2 3.32Å; A226-E230 PolarHBondContact O-N 2.7Å; E230-F232 VanDerWaalsContact C-N 3.26Å; E230-F232 PolarHBondContact O-N 3.2Å; E230-N233 WeakPolarHBondContact O-CB 3.37Å; E230-N233 PolarHBondContact O-N 2.98Å; E230-Q234 WeakPolarHBondContact O-CB 3.26Å; E230-Q234 PolarHBondContact O-N 3.35Å; E230-K237 IonicContact OE1-NZ 3.77Å; E230-K237 PolarHBondContact OE1-NZ 3.36Å
231K93.7Very high94.3Very high159 Ų15951.3 Ų51.369%0.69128%0.275SS*.Hα-helixtrans-59-39173.1-73.8169.9-176.7178.10112.1D227 Q234 R235D227-K231 VanDerWaalsContact O-CG 3.32Å; D227-K231 WeakPolarHBondContact O-CG 3.35Å; D227-K231 PolarHBondContact O-N 3.48Å; D227-K231 VanDerWaalsContact O-N 3.07Å; K231-Q234 PolarHBondContact O-N 3.27Å; K231-R235 PolarHBondContact O-N 3.37Å
232F95.2Very high94.5Very high1 Ų149.6 Ų49.60%0.00426%0.256CS..Hα-helixtrans-66.9-44.9175.3-166-166.3000111.8L36 V40 M46 I121 P122 F124 L127 I216 L228 V229 E230 Q234 R235 L236L36-F232 HydrophobicContact CD1-CD1 4.32Å; L36-F232 HydrophobicContact CD1-CD2 4.27Å; L36-F232 HydrophobicContact CD1-CE1 4.48Å; L36-F232 HydrophobicContact CD1-CE2 4.39Å; L36-F232 HydrophobicContact CD1-CG 4.25Å; L36-F232 HydrophobicContact CD2-CB 4.09Å; L36-F232 HydrophobicContact CD2-CG 4.27Å; V40-F232 HydrophobicContact CG2-CD2 3.92Å; V40-F232 HydrophobicContact CG2-CE2 3.91Å; M46-F232 HydrophobicContact CE-CD2 4.26Å; M46-F232 HydrophobicContact CE-CE2 3.75Å; I121-F232 HydrophobicContact CG2-CE2 4.43Å; I121-F232 HydrophobicContact CG2-CZ 3.87Å; P122-F232 WeakPolarHBondContact O-CE2 3.18Å; P122-F232 WeakPolarHBondContact O-CZ 3.46Å; F124-F232 HydrophobicContact CB-CE1 4.35Å; L127-F232 HydrophobicContact CD1-CD1 4.34Å; L127-F232 HydrophobicContact CD1-CE1 4.37Å; L127-F232 HydrophobicContact CD2-CD1 4.31Å; I216-F232 HydrophobicContact CD1-CE1 4.03Å; I216-F232 HydrophobicContact CG1-CD1 4.46Å; I216-F232 HydrophobicContact CG1-CE1 4.13Å; I216-F232 HydrophobicContact CG2-CB 3.96Å; I216-F232 HydrophobicContact CG2-CD1 3.31Å; I216-F232 HydrophobicContact CG2-CE1 3.83Å; I216-F232 HydrophobicContact CG2-CG 3.72Å; L228-F232 WeakPolarHBondContact O-CB 3.39Å; L228-F232 PolarHBondContact O-N 3.21Å; L228-F232 VanDerWaalsContact O-N 3.16Å; V229-F232 WeakPolarHBondContact O-CB 3.41Å; V229-F232 PolarHBondContact O-N 2.84Å; E230-F232 VanDerWaalsContact C-N 3.26Å; E230-F232 PolarHBondContact O-N 3.2Å; F232-Q234 VanDerWaalsContact C-N 3.33Å; F232-Q234 PolarHBondContact O-N 3.06Å; F232-R235 PolarHBondContact O-N 3.23Å; F232-L236 HydrophobicContact CD2-CD1 4.46Å; F232-L236 HydrophobicContact CE2-CD1 4.45Å; F232-L236 PolarHBondContact O-N 3.23Å
233N96.4Very high94.7Very high6 Ų648.2 Ų48.23%0.03223%0.234CC..Hα-helixtrans-59.8-41.7174.9-167.7-91000112I213 I216 V229 E230 R235 L236 K237I213-N233 PolarHBondContact O-ND2 2.99Å; I216-N233 WeakPolarHBondContact O-CB 3.42Å; I216-N233 PolarHBondContact O-ND2 3.39Å; V229-N233 WeakPolarHBondContact O-CB 3.25Å; V229-N233 PolarHBondContact O-N 2.98Å; E230-N233 WeakPolarHBondContact O-CB 3.37Å; E230-N233 PolarHBondContact O-N 2.98Å; N233-R235 PolarHBondContact O-N 2.85Å; N233-L236 WeakPolarHBondContact O-CB 3.49Å; N233-L236 PolarHBondContact O-N 3.29Å; N233-L236 VanDerWaalsContact O-N 3.12Å; N233-K237 PolarHBondContact O-N 3.44Å; N233-K237 WeakPolarHBondContact OD1-CD 3.38Å; N233-K237 WeakPolarHBondContact OD1-CE 3.39Å; N233-K237 PolarHBondContact OD1-NZ 2.85Å
234Q95.9Very high94.8Very high77 Ų7747.2 Ų47.236%0.3623%0.228SC..Hα-helixtrans-67.3-33.6179-165.258.744.200112.5E230 K231 F232 N238E230-Q234 WeakPolarHBondContact O-CB 3.26Å; E230-Q234 PolarHBondContact O-N 3.35Å; K231-Q234 PolarHBondContact O-N 3.27Å; F232-Q234 VanDerWaalsContact C-N 3.33Å; F232-Q234 PolarHBondContact O-N 3.06Å; Q234-N238 PolarHBondContact NE2-OD1 3.36Å; Q234-N238 WeakPolarHBondContact O-CB 3.17Å; Q234-N238 PolarHBondContact O-N 3.14Å; Q234-N238 PolarHBondContact O-OD1 3.02Å
235R95.7Very high94.9Very high61 Ų6144.3 Ų44.323%0.2322%0.223CC..Hα-helixtrans-62.6-46.3168.3-169.874.7159.6145.8-4.9111.3V40 E41 M46 K231 F232 N233 K237 N238 L239V40-R235 HydrophobicContact CG1-CB 3.49Å; V40-R235 VanDerWaalsContact CG1-CB 3.49Å; V40-R235 HydrophobicContact CG1-CG 3.41Å; V40-R235 VanDerWaalsContact CG1-CG 3.41Å; V40-R235 PolarHBondContact O-NE 3.22Å; V40-R235 PolarHBondContact O-NH2 2.96Å; E41-R235 PolarHBondContact O-NH2 2.89Å; M46-R235 HydrophobicContact CE-CG 4.39Å; M46-R235 HydrophobicContact SD-CG 4.21Å; K231-R235 PolarHBondContact O-N 3.37Å; F232-R235 PolarHBondContact O-N 3.23Å; N233-R235 PolarHBondContact O-N 2.85Å; R235-K237 VanDerWaalsContact C-N 3.35Å; R235-K237 PolarHBondContact O-N 3.3Å; R235-N238 PolarHBondContact O-N 2.69Å; R235-L239 HydrophobicContact CG-CD1 3.93Å; R235-L239 HydrophobicContact CG-CG 4.21Å; R235-L239 WeakPolarHBondContact O-CG 3.29Å; R235-L239 PolarHBondContact O-N 2.84Å
236L97.3Very high95Very high0 Ų047.1 Ų47.10%024%0.241CC..Hα-helixtrans-59.5-43.5179.4-72.5161.9000112M46 I50 L209 A212 I213 I216 F232 N233 L239 L240M46-L236 HydrophobicContact CE-CD2 3.43Å; M46-L236 VanDerWaalsContact CE-CD2 3.43Å; M46-L236 HydrophobicContact CE-CG 3.7Å; I50-L236 HydrophobicContact CD1-CD2 3.57Å; L209-L236 HydrophobicContact CD2-CD2 4.31Å; A212-L236 HydrophobicContact CB-CD1 4.22Å; A212-L236 HydrophobicContact CB-CD2 3.77Å; I213-L236 HydrophobicContact CD1-CB 4.47Å; I213-L236 HydrophobicContact CG1-CB 3.6Å; I216-L236 HydrophobicContact CB-CD1 3.81Å; I216-L236 HydrophobicContact CG1-CD1 3.81Å; I216-L236 HydrophobicContact CG2-CD1 4.13Å; F232-L236 HydrophobicContact CD2-CD1 4.46Å; F232-L236 HydrophobicContact CE2-CD1 4.45Å; F232-L236 PolarHBondContact O-N 3.23Å; N233-L236 WeakPolarHBondContact O-CB 3.49Å; N233-L236 PolarHBondContact O-N 3.29Å; N233-L236 VanDerWaalsContact O-N 3.12Å; L236-L239 PolarHBondContact O-N 3.49Å; L236-L240 PolarHBondContact O-N 3Å
237K97.3Very high94.7Very high38 Ų3848.3 Ų48.317%0.16524%0.24CC..Hα-helixtrans-57.2-51170.7-73161.9172.8150.40111.8I213 E230 N233 R235 L239 L240 Q241 F255 M259I213-K237 HydrophobicContact CD1-CG 4.13Å; I213-K237 HydrophobicContact CG2-CG 4.46Å; E230-K237 IonicContact OE1-NZ 3.77Å; E230-K237 PolarHBondContact OE1-NZ 3.36Å; N233-K237 PolarHBondContact O-N 3.44Å; N233-K237 WeakPolarHBondContact OD1-CD 3.38Å; N233-K237 WeakPolarHBondContact OD1-CE 3.39Å; N233-K237 PolarHBondContact OD1-NZ 2.85Å; R235-K237 VanDerWaalsContact C-N 3.35Å; R235-K237 PolarHBondContact O-N 3.3Å; K237-L239 VanDerWaalsContact C-N 3.31Å; K237-L239 PolarHBondContact O-N 2.75Å; K237-L240 PolarHBondContact O-N 3.09Å; K237-Q241 WeakPolarHBondContact O-CG 3.1Å; K237-Q241 PolarHBondContact O-N 3.44Å; K237-F255 HydrophobicContact CB-CE2 4.38Å; K237-F255 HydrophobicContact CB-CZ 4.23Å; K237-F255 HydrophobicContact CG-CZ 4.4Å; K237-M259 HydrophobicContact CG-SD 4.44Å
238N96.2Very high94.5Very high58 Ų5845.7 Ų45.731%0.3122%0.223SC..Hα-helixtrans-61.9-37.4-179.4-66.98.1000112.2Q234 R235 Q242Q234-N238 PolarHBondContact NE2-OD1 3.36Å; Q234-N238 WeakPolarHBondContact O-CB 3.17Å; Q234-N238 PolarHBondContact O-N 3.14Å; Q234-N238 PolarHBondContact O-OD1 3.02Å; R235-N238 PolarHBondContact O-N 2.69Å; N238-Q242 WeakPolarHBondContact O-CG 3.33Å; N238-Q242 PolarHBondContact O-N 3.34Å
239L96.6Very high94.2Very high3 Ų346.4 Ų46.42%0.01624%0.235CC..Hα-helixtrans-68.7-40.7175.4-68.8170.7000111.6M46 V47 L209 R235 L236 K237 Q242 I243M46-L239 HydrophobicContact CB-CD1 4.32Å; M46-L239 HydrophobicContact CE-CD1 3.96Å; M46-L239 HydrophobicContact CG-CD1 3.94Å; M46-L239 HydrophobicContact SD-CD1 3.65Å; V47-L239 HydrophobicContact CG2-CB 4.19Å; V47-L239 HydrophobicContact CG2-CD1 4.25Å; V47-L239 HydrophobicContact CG2-CD2 4.21Å; V47-L239 HydrophobicContact CG2-CG 4.45Å; L209-L239 HydrophobicContact CD2-CB 4.29Å; R235-L239 HydrophobicContact CG-CD1 3.93Å; R235-L239 HydrophobicContact CG-CG 4.21Å; R235-L239 WeakPolarHBondContact O-CG 3.29Å; R235-L239 PolarHBondContact O-N 2.84Å; L236-L239 PolarHBondContact O-N 3.49Å; K237-L239 VanDerWaalsContact C-N 3.31Å; K237-L239 PolarHBondContact O-N 2.75Å; L239-Q242 PolarHBondContact O-N 3.05Å; L239-I243 WeakPolarHBondContact O-CG1 3.24Å; L239-I243 PolarHBondContact O-N 2.88Å
240L96.9Very high93.6Very high0 Ų050.7 Ų50.70%027%0.27CS..Hα-helixtrans-62.2-42.7173.6179.459.5000111.7E206 L209 F210 I213 L236 K237 Q242 I243 I244 F255 L258 M259E206-L240 HydrophobicContact CB-CD1 3.87Å; E206-L240 HydrophobicContact CG-CD1 4.12Å; L209-L240 HydrophobicContact CB-CB 4.19Å; L209-L240 HydrophobicContact CB-CD1 4.07Å; L209-L240 HydrophobicContact CD1-CB 4.48Å; L209-L240 HydrophobicContact CD1-CD1 4.49Å; F210-L240 HydrophobicContact CB-CD2 4.4Å; I213-L240 HydrophobicContact CD1-CB 4.13Å; I213-L240 HydrophobicContact CD1-CD2 3.6Å; L236-L240 PolarHBondContact O-N 3Å; K237-L240 PolarHBondContact O-N 3.09Å; L240-Q242 VanDerWaalsContact C-N 3.34Å; L240-Q242 PolarHBondContact O-N 3.5Å; L240-I243 PolarHBondContact O-N 3.04Å; L240-I244 HydrophobicContact CD1-CD1 3.81Å; L240-I244 HydrophobicContact CD1-CG1 4.1Å; L240-I244 HydrophobicContact CD2-CD1 4.47Å; L240-I244 HydrophobicContact CG-CD1 3.74Å; L240-I244 HydrophobicContact CG-CG1 4.44Å; L240-I244 WeakPolarHBondContact O-CB 3.41Å; L240-I244 VanDerWaalsContact O-CG1 3.31Å; L240-I244 WeakPolarHBondContact O-CG1 3.14Å; L240-I244 PolarHBondContact O-N 2.78Å; L240-F255 HydrophobicContact CD2-CD2 4.1Å; L240-F255 HydrophobicContact CD2-CE2 4.21Å; L240-F255 HydrophobicContact CG-CD2 4.12Å; L240-F255 HydrophobicContact CG-CE2 4.43Å; L240-L258 HydrophobicContact CD2-CD1 4.21Å; L240-M259 HydrophobicContact CD2-CE 4.13Å
241Q96.2Very high93.1Very high64 Ų6452.4 Ų52.430%0.29928%0.281SS..Hα-helixtrans-59.9-42.1173.6-71.6175.7-37.200112.2K237 C245 M252 F255K237-Q241 WeakPolarHBondContact O-CG 3.1Å; K237-Q241 PolarHBondContact O-N 3.44Å; Q241-C245 WeakPolarHBondContact O-CB 3.22Å; Q241-C245 PolarHBondContact O-N 2.9Å; Q241-M252 HydrophobicContact CB-SD 4.33Å; Q241-M252 HydrophobicContact CG-SD 4.36Å; Q241-F255 HydrophobicContact CG-CD1 4.01Å; Q241-F255 HydrophobicContact CG-CD2 3.5Å; Q241-F255 VanDerWaalsContact CG-CD2 3.5Å; Q241-F255 HydrophobicContact CG-CE1 4.03Å; Q241-F255 HydrophobicContact CG-CE2 3.52Å; Q241-F255 HydrophobicContact CG-CG 3.75Å; Q241-F255 HydrophobicContact CG-CZ 3.79Å; Q241-F255 VanDerWaalsContact NE2-CE1 3.25Å
242Q94.7Very high93Very high85 Ų8547.1 Ų47.140%0.39726%0.26SS..Hα-helixtrans-64-41176.3-74.3173.3-1.300112.4N238 L239 L240 C245 V246N238-Q242 WeakPolarHBondContact O-CG 3.33Å; N238-Q242 PolarHBondContact O-N 3.34Å; L239-Q242 PolarHBondContact O-N 3.05Å; L240-Q242 VanDerWaalsContact C-N 3.34Å; L240-Q242 PolarHBondContact O-N 3.5Å; Q242-C245 PolarHBondContact O-N 3.5Å; Q242-V246 WeakPolarHBondContact O-CG2 3.25Å; Q242-V246 PolarHBondContact O-N 3.42Å; Q242-V246 VanDerWaalsContact O-N 3.17Å
243I94.6Very high92.8Very high34 Ų3449.8 Ų49.817%0.17428%0.279CS..Hα-helixtrans-67.5-47.7177.5-70-58.1000111.3V47 I205 E206 L209 L239 L240 C245 V246 Q247V47-I243 HydrophobicContact CG1-CD1 4.31Å; I205-I243 HydrophobicContact CD1-CD1 3.91Å; I205-I243 HydrophobicContact CD1-CG1 4.35Å; I205-I243 HydrophobicContact CD1-CG2 4.22Å; I205-I243 HydrophobicContact CG1-CG2 4.2Å; I205-I243 HydrophobicContact CG2-CG2 4.09Å; E206-I243 HydrophobicContact CG-CG2 3.86Å; L209-I243 HydrophobicContact CD1-CB 4.25Å; L209-I243 HydrophobicContact CD1-CG1 3.8Å; L239-I243 WeakPolarHBondContact O-CG1 3.24Å; L239-I243 PolarHBondContact O-N 2.88Å; L240-I243 PolarHBondContact O-N 3.04Å; I243-C245 VanDerWaalsContact C-N 3.31Å; I243-C245 PolarHBondContact O-N 2.99Å; I243-V246 PolarHBondContact O-N 3Å; I243-V246 VanDerWaalsContact O-N 3.1Å; I243-Q247 PolarHBondContact O-N 3.26Å
244I94.3Very high92.7Very high0 Ų050.4 Ų50.40%028%0.282CS..Hα-helixtrans-57.2-45.4174.1-69.4166.3000110.5E206 L240 V246 Q247 H248 M252 L254 F255 L258E206-I244 HydrophobicContact CG-CG1 4.22Å; E206-I244 VanDerWaalsContact OE1-CG1 3.26Å; E206-I244 WeakPolarHBondContact OE1-CG1 3.32Å; L240-I244 HydrophobicContact CD1-CD1 3.81Å; L240-I244 HydrophobicContact CD1-CG1 4.1Å; L240-I244 HydrophobicContact CD2-CD1 4.47Å; L240-I244 HydrophobicContact CG-CD1 3.74Å; L240-I244 HydrophobicContact CG-CG1 4.44Å; L240-I244 WeakPolarHBondContact O-CB 3.41Å; L240-I244 VanDerWaalsContact O-CG1 3.31Å; L240-I244 WeakPolarHBondContact O-CG1 3.14Å; L240-I244 PolarHBondContact O-N 2.78Å; I244-V246 PolarHBondContact O-N 3.06Å; I244-Q247 PolarHBondContact O-N 3.45Å; I244-H248 PolarHBondContact O-N 3.25Å; I244-M252 HydrophobicContact CB-CE 4.5Å; I244-M252 HydrophobicContact CG2-CE 3.92Å; I244-L254 HydrophobicContact CD1-CG 4.41Å; I244-L254 HydrophobicContact CG1-CD2 4.37Å; I244-L254 HydrophobicContact CG2-CB 4.35Å; I244-F255 HydrophobicContact CD1-CB 3.65Å; I244-F255 HydrophobicContact CD1-CD2 4.1Å; I244-F255 HydrophobicContact CD1-CG 4.4Å; I244-L258 HydrophobicContact CD1-CD1 4.22Å
245C93.3Very high92.7Very high59 Ų5947.4 Ų47.440%0.39927%0.268SS..Hα-helixtrans-61-29179.4-1690000113.4Q241 Q242 I243 G249 M252Q241-C245 WeakPolarHBondContact O-CB 3.22Å; Q241-C245 PolarHBondContact O-N 2.9Å; Q242-C245 PolarHBondContact O-N 3.5Å; I243-C245 VanDerWaalsContact C-N 3.31Å; I243-C245 PolarHBondContact O-N 2.99Å; C245-G249 WeakPolarHBondContact CA-O 3.45Å; C245-G249 CarbonylContact O-C 3.53Å; C245-G249 VanDerWaalsContact O-CA 3.28Å; C245-G249 WeakPolarHBondContact O-CA 2.99Å; C245-G249 PolarHBondContact O-N 2.95Å; C245-M252 HydrophobicContact CB-CE 3.87Å
246V90.9Very high92.6Very high96 Ų9648.9 Ų48.958%0.58228%0.28SS*.Hα-helixtrans-86.6-31.2177.7169.80000112.2Q242 I243 I244 L406Q242-V246 WeakPolarHBondContact O-CG2 3.25Å; Q242-V246 PolarHBondContact O-N 3.42Å; Q242-V246 VanDerWaalsContact O-N 3.17Å; I243-V246 PolarHBondContact O-N 3Å; I243-V246 VanDerWaalsContact O-N 3.1Å; I244-V246 PolarHBondContact O-N 3.06Å; V246-L406 HydrophobicContact CG1-CD1 4.36Å
247Q88.5Confident92.5Very high64 Ų6450.9 Ų50.930%0.29929%0.294SS..Hα-helixtrans-89.5-35.3-177.4-70.6-177.7-80.400114.1T203 I243 I244T203-Q247 PolarHBondContact OG1-NE2 3.43Å; T203-Q247 VanDerWaalsContact OG1-NE2 3.1Å; T203-Q247 PolarHBondContact OG1-OE1 3.49Å; I243-Q247 PolarHBondContact O-N 3.26Å; I244-Q247 PolarHBondContact O-N 3.45Å
248H87.5Confident92.4Very high75 Ų7549 Ų4935%0.34729%0.286SS..THydrogen-bonded Turntrans-117.4-2.8-174.5-58.4-84.4000113.3E206 I244E206-H248 IonicContact OE1-CD2 2.77Å; E206-H248 PolarHBondContact OE1-CD2 2.94Å; E206-H248 VanDerWaalsContact OE1-CD2 3.25Å; I244-H248 PolarHBondContact O-N 3.25Å
249G86.5Confident92.4Very high33 Ų3348.1 Ų48.134%0.3428%0.28SS..  trans80.7-169.8-172.400000112.3C245 D251C245-G249 WeakPolarHBondContact CA-O 3.45Å; C245-G249 CarbonylContact O-C 3.53Å; C245-G249 VanDerWaalsContact O-CA 3.28Å; C245-G249 WeakPolarHBondContact O-CA 2.99Å; C245-G249 PolarHBondContact O-N 2.95Å; G249-D251 PolarHBondContact O-N 3.46Å
250A83.2Confident92.4Very high89 Ų8953.8 Ų53.874%0.73631%0.31SS*.SBendtrans-68.40.8-170.900000115.7M252A250-M252 PolarHBondContact O-N 3.42Å
251D85.1Confident92.2Very high98 Ų9855.3 Ų55.352%0.52432%0.316SS..  trans-76.6114.3176.2-178.819.7000111.5G249 S253G249-D251 PolarHBondContact O-N 3.46Å; D251-S253 VanDerWaalsContact C-N 3.31Å; D251-S253 VanDerWaalsContact OD1-CB 3.23Å; D251-S253 WeakPolarHBondContact OD1-CB 3.43Å; D251-S253 PolarHBondContact OD1-N 2.82Å; D251-S253 PolarHBondContact OD1-OG 3.44Å; D251-S253 VanDerWaalsContact OD2-CB 3.27Å; D251-S253 WeakPolarHBondContact OD2-CB 3.36Å; D251-S253 PolarHBondContact OD2-OG 3.45Å
252M90.2Very high92.2Very high49 Ų4953.5 Ų53.524%0.24131%0.308CS..  trans-88.810178-62.5-67102.100113.2Q241 I244 C245 A250 L254 F255 N256Q241-M252 HydrophobicContact CB-SD 4.33Å; Q241-M252 HydrophobicContact CG-SD 4.36Å; I244-M252 HydrophobicContact CB-CE 4.5Å; I244-M252 HydrophobicContact CG2-CE 3.92Å; C245-M252 HydrophobicContact CB-CE 3.87Å; A250-M252 PolarHBondContact O-N 3.42Å; M252-L254 VanDerWaalsContact C-N 3.29Å; M252-L254 PolarHBondContact O-N 2.91Å; M252-F255 HydrophobicContact CB-CB 4.46Å; M252-F255 WeakPolarHBondContact O-CB 3.22Å; M252-F255 PolarHBondContact O-N 2.96Å; M252-F255 VanDerWaalsContact O-N 3.12Å; M252-F255 HydrophobicContact SD-CB 4.45Å; M252-N256 PolarHBondContact O-N 2.92Å; M252-N256 PolarHBondContact O-ND2 3.32Å
253S92Very high92.1Very high57 Ų5752.9 Ų52.940%0.39931%0.312SS..Hα-helixtrans-52.4-43.5176.266.60000112.8D251 N256 S257D251-S253 VanDerWaalsContact C-N 3.31Å; D251-S253 VanDerWaalsContact OD1-CB 3.23Å; D251-S253 WeakPolarHBondContact OD1-CB 3.43Å; D251-S253 PolarHBondContact OD1-N 2.82Å; D251-S253 PolarHBondContact OD1-OG 3.44Å; D251-S253 VanDerWaalsContact OD2-CB 3.27Å; D251-S253 WeakPolarHBondContact OD2-CB 3.36Å; D251-S253 PolarHBondContact OD2-OG 3.45Å; S253-N256 PolarHBondContact O-N 3.03Å; S253-S257 VanDerWaalsContact O-CB 3.32Å; S253-S257 WeakPolarHBondContact O-CB 3.49Å; S253-S257 PolarHBondContact O-N 3.39Å; S253-S257 PolarHBondContact O-OG 2.69Å
254L93.3Very high92Very high18 Ų1854 Ų549%0.09432%0.319CS..Hα-helixtrans-64.9-43.7176.4179.558.6000111.8L200 E206 I244 M252 N256 S257 L258L200-L254 HydrophobicContact CB-CD1 4.1Å; E206-L254 WeakPolarHBondContact OE1-CD2 3.47Å; I244-L254 HydrophobicContact CD1-CG 4.41Å; I244-L254 HydrophobicContact CG1-CD2 4.37Å; I244-L254 HydrophobicContact CG2-CB 4.35Å; M252-L254 VanDerWaalsContact C-N 3.29Å; M252-L254 PolarHBondContact O-N 2.91Å; L254-N256 PolarHBondContact O-N 2.78Å; L254-S257 PolarHBondContact O-N 3.07Å; L254-L258 HydrophobicContact CD1-CD1 4.33Å; L254-L258 HydrophobicContact CD1-CG 4.25Å; L254-L258 HydrophobicContact CG-CD1 4.22Å; L254-L258 WeakPolarHBondContact O-CB 3.38Å; L254-L258 WeakPolarHBondContact O-CG 3.32Å; L254-L258 PolarHBondContact O-N 3.31Å
255F95.5Very high91.9Very high15 Ų1554 Ų547%0.06632%0.319CS..Hα-helixtrans-60.2-47.5176.9177.2-98.7000111.3K237 L240 Q241 I244 M252 S257 L258 M259K237-F255 HydrophobicContact CB-CE2 4.38Å; K237-F255 HydrophobicContact CB-CZ 4.23Å; K237-F255 HydrophobicContact CG-CZ 4.4Å; L240-F255 HydrophobicContact CD2-CD2 4.1Å; L240-F255 HydrophobicContact CD2-CE2 4.21Å; L240-F255 HydrophobicContact CG-CD2 4.12Å; L240-F255 HydrophobicContact CG-CE2 4.43Å; Q241-F255 HydrophobicContact CG-CD1 4.01Å; Q241-F255 HydrophobicContact CG-CD2 3.5Å; Q241-F255 VanDerWaalsContact CG-CD2 3.5Å; Q241-F255 HydrophobicContact CG-CE1 4.03Å; Q241-F255 HydrophobicContact CG-CE2 3.52Å; Q241-F255 HydrophobicContact CG-CG 3.75Å; Q241-F255 HydrophobicContact CG-CZ 3.79Å; Q241-F255 VanDerWaalsContact NE2-CE1 3.25Å; I244-F255 HydrophobicContact CD1-CB 3.65Å; I244-F255 HydrophobicContact CD1-CD2 4.1Å; I244-F255 HydrophobicContact CD1-CG 4.4Å; M252-F255 HydrophobicContact CB-CB 4.46Å; M252-F255 WeakPolarHBondContact O-CB 3.22Å; M252-F255 PolarHBondContact O-N 2.96Å; M252-F255 VanDerWaalsContact O-N 3.12Å; M252-F255 HydrophobicContact SD-CB 4.45Å; F255-S257 VanDerWaalsContact C-N 3.35Å; F255-S257 PolarHBondContact O-N 3.32Å; F255-L258 PolarHBondContact O-N 3.39Å; F255-M259 HydrophobicContact CD1-CG 4.27Å; F255-M259 HydrophobicContact CD2-CE 4.47Å; F255-M259 HydrophobicContact CE1-CG 3.76Å; F255-M259 HydrophobicContact CE2-CE 3.96Å; F255-M259 HydrophobicContact CE2-CG 4.18Å; F255-M259 HydrophobicContact CE2-SD 4.19Å; F255-M259 HydrophobicContact CZ-CE 4.32Å; F255-M259 HydrophobicContact CZ-CG 3.71Å; F255-M259 HydrophobicContact CZ-SD 3.93Å; F255-M259 WeakPolarHBondContact O-CG 3.22Å; F255-M259 PolarHBondContact O-N 2.9Å
256N95.3Very high91.8Very high91 Ų9153.9 Ų53.949%0.48731%0.309SS..Hα-helixtrans-63.1-42.5178.7-67-28.2000111.2M252 S253 L254 L258 M259 L260M252-N256 PolarHBondContact O-N 2.92Å; M252-N256 PolarHBondContact O-ND2 3.32Å; S253-N256 PolarHBondContact O-N 3.03Å; L254-N256 PolarHBondContact O-N 2.78Å; N256-L258 PolarHBondContact O-N 3.35Å; N256-M259 PolarHBondContact O-N 3.14Å; N256-L260 WeakPolarHBondContact O-CG 3.42Å; N256-L260 PolarHBondContact O-N 3.18Å
257S94.7Very high91.7Very high42 Ų4253 Ų5329%0.29431%0.305SS..Hα-helixtrans-61.9-41176.2-590000112.5S253 L254 F255 L260 K261S253-S257 VanDerWaalsContact O-CB 3.32Å; S253-S257 WeakPolarHBondContact O-CB 3.49Å; S253-S257 PolarHBondContact O-N 3.39Å; S253-S257 PolarHBondContact O-OG 2.69Å; L254-S257 PolarHBondContact O-N 3.07Å; F255-S257 VanDerWaalsContact C-N 3.35Å; F255-S257 PolarHBondContact O-N 3.32Å; S257-L260 PolarHBondContact O-N 3.4Å; S257-K261 WeakPolarHBondContact O-CG 3.3Å; S257-K261 PolarHBondContact O-N 2.77Å
258L95.5Very high91.5Very high0 Ų050.3 Ų50.30%029%0.292CS..Hα-helixtrans-63.9-44.9173.8-74.1172000111.8F197 L200 V202 F210 L240 I244 L254 F255 N256 L260 K261F197-L258 HydrophobicContact CE2-CD2 3.87Å; F197-L258 HydrophobicContact CZ-CD2 4.24Å; L200-L258 HydrophobicContact CD1-CD2 4.21Å; V202-L258 HydrophobicContact CG1-CD1 4.45Å; V202-L258 HydrophobicContact CG1-CD2 4.33Å; V202-L258 HydrophobicContact CG2-CD2 3.83Å; F210-L258 HydrophobicContact CD1-CD2 4.02Å; F210-L258 HydrophobicContact CD2-CB 4.02Å; F210-L258 HydrophobicContact CD2-CD2 4.32Å; F210-L258 HydrophobicContact CE1-CD2 4.08Å; F210-L258 HydrophobicContact CE2-CB 3.89Å; F210-L258 HydrophobicContact CE2-CD2 4.39Å; F210-L258 WeakPolarHBondContact CE2-O 3.22Å; F210-L258 HydrophobicContact CG-CD2 4.14Å; F210-L258 HydrophobicContact CZ-CB 4.39Å; F210-L258 HydrophobicContact CZ-CD2 4.27Å; F210-L258 WeakPolarHBondContact CZ-O 3.39Å; L240-L258 HydrophobicContact CD2-CD1 4.21Å; I244-L258 HydrophobicContact CD1-CD1 4.22Å; L254-L258 HydrophobicContact CD1-CD1 4.33Å; L254-L258 HydrophobicContact CD1-CG 4.25Å; L254-L258 HydrophobicContact CG-CD1 4.22Å; L254-L258 WeakPolarHBondContact O-CB 3.38Å; L254-L258 WeakPolarHBondContact O-CG 3.32Å; L254-L258 PolarHBondContact O-N 3.31Å; F255-L258 PolarHBondContact O-N 3.39Å; N256-L258 PolarHBondContact O-N 3.35Å; L258-L260 VanDerWaalsContact C-N 3.28Å; L258-L260 PolarHBondContact O-N 2.91Å; L258-K261 WeakPolarHBondContact O-CB 3.27Å; L258-K261 PolarHBondContact O-N 2.83Å
259M96.4Very high91.3Very high39 Ų3948.1 Ų48.119%0.19228%0.283CS..Hα-helixtrans-61.9-36.8177.3-66-56.410000111.9F210 I213 K237 L240 F255 N256 K261 I262 P263F210-M259 HydrophobicContact CD2-CE 3.98Å; F210-M259 HydrophobicContact CE2-CE 4.01Å; I213-M259 HydrophobicContact CD1-CE 4.08Å; I213-M259 HydrophobicContact CG2-CE 4.45Å; K237-M259 HydrophobicContact CG-SD 4.44Å; L240-M259 HydrophobicContact CD2-CE 4.13Å; F255-M259 HydrophobicContact CD1-CG 4.27Å; F255-M259 HydrophobicContact CD2-CE 4.47Å; F255-M259 HydrophobicContact CE1-CG 3.76Å; F255-M259 HydrophobicContact CE2-CE 3.96Å; F255-M259 HydrophobicContact CE2-CG 4.18Å; F255-M259 HydrophobicContact CE2-SD 4.19Å; F255-M259 HydrophobicContact CZ-CE 4.32Å; F255-M259 HydrophobicContact CZ-CG 3.71Å; F255-M259 HydrophobicContact CZ-SD 3.93Å; F255-M259 WeakPolarHBondContact O-CG 3.22Å; F255-M259 PolarHBondContact O-N 2.9Å; N256-M259 PolarHBondContact O-N 3.14Å; M259-K261 PolarHBondContact O-N 3.29Å; M259-I262 HydrophobicContact CE-CD1 4.18Å; M259-I262 PolarHBondContact O-N 2.97Å; M259-I262 HydrophobicContact SD-CD1 3.99Å; M259-P263 WeakPolarHBondContact O-CD 3.42Å
260L95.4Very high91.2Very high122 Ų12250.3 Ų50.364%0.63929%0.29SS*.Hα-helixtrans-67.5-18.1174.1-69.8171.5000114N256 S257 L258 I262 P263N256-L260 WeakPolarHBondContact O-CG 3.42Å; N256-L260 PolarHBondContact O-N 3.18Å; S257-L260 PolarHBondContact O-N 3.4Å; L258-L260 VanDerWaalsContact C-N 3.28Å; L258-L260 PolarHBondContact O-N 2.91Å; L260-I262 VanDerWaalsContact C-N 3.35Å; L260-P263 WeakPolarHBondContact O-CD 3.49Å
261K94Very high91Very high31 Ų3147.3 Ų47.314%0.13526%0.261CS..Hα-helixtrans-81.2-10.4174-69.8-73.5145.7-1600113.8F193 F197 L200 F210 S257 L258 M259 D264 L265F193-K261 HydrophobicContact CD2-CD 4.04Å; F193-K261 HydrophobicContact CE2-CB 4.08Å; F193-K261 HydrophobicContact CE2-CD 3.65Å; F193-K261 HydrophobicContact CE2-CG 4.39Å; F197-K261 HydrophobicContact CD2-CB 4.42Å; F197-K261 HydrophobicContact CD2-CD 4.34Å; F197-K261 HydrophobicContact CD2-CG 4.1Å; L200-K261 HydrophobicContact CD1-CG 4.17Å; F210-K261 HydrophobicContact CZ-CB 4.13Å; S257-K261 WeakPolarHBondContact O-CG 3.3Å; S257-K261 PolarHBondContact O-N 2.77Å; L258-K261 WeakPolarHBondContact O-CB 3.27Å; L258-K261 PolarHBondContact O-N 2.83Å; M259-K261 PolarHBondContact O-N 3.29Å; K261-D264 WeakPolarHBondContact CD-OD2 3.38Å; K261-D264 WeakPolarHBondContact CE-OD2 3.26Å; K261-D264 IonicContact NZ-OD2 3.6Å; K261-D264 PolarHBondContact NZ-OD2 2.93Å; K261-D264 PolarHBondContact O-N 2.91Å; K261-L265 WeakPolarHBondContact O-CG 3.14Å; K261-L265 PolarHBondContact O-N 2.85Å; K261-L265 VanDerWaalsContact O-N 3.17Å
262I94.8Very high90.3Very high26 Ų2643.1 Ų43.113%0.13324%0.239CC..Hα-helixtrans-69.4-45.6177.4-58.7175.6000111.7F210 I213 I214 M259 L260 D264 L265 R266F210-I262 HydrophobicContact CE2-CD1 4.06Å; F210-I262 HydrophobicContact CE2-CG1 3.74Å; F210-I262 HydrophobicContact CZ-CG1 4.01Å; I213-I262 HydrophobicContact CG2-CD1 4.07Å; I214-I262 HydrophobicContact CG1-CG1 4.34Å; M259-I262 HydrophobicContact CE-CD1 4.18Å; M259-I262 PolarHBondContact O-N 2.97Å; M259-I262 HydrophobicContact SD-CD1 3.99Å; L260-I262 VanDerWaalsContact C-N 3.35Å; I262-D264 VanDerWaalsContact C-N 3.33Å; I262-D264 PolarHBondContact O-N 2.71Å; I262-L265 PolarHBondContact O-N 3.38Å; I262-R266 VanDerWaalsContact O-CG 3.3Å; I262-R266 WeakPolarHBondContact O-CG 3.36Å; I262-R266 PolarHBondContact O-N 3.26Å
263P93.6Very high89.3Confident73 Ų7342.2 Ų42.247%0.47424%0.239SC..Hα-helixtrans-55.4-39.7169.7-29.135.9000114.8M259 L260 R266 T267M259-P263 WeakPolarHBondContact O-CD 3.42Å; L260-P263 WeakPolarHBondContact O-CD 3.49Å; P263-R266 WeakPolarHBondContact O-CB 3.4Å; P263-R266 PolarHBondContact O-N 3Å; P263-T267 PolarHBondContact O-N 3.07Å; P263-T267 PolarHBondContact O-OG1 2.72Å
264D92.3Very high88.1Confident58 Ų5844.1 Ų44.131%0.3124%0.241SC..Hα-helixtrans-62.6-47.1177.4-61.1-6.4000110.9F193 K261 I262 R266 T267 L268F193-D264 HydrophobicContact CD2-CB 3.6Å; F193-D264 HydrophobicContact CE2-CB 3.9Å; K261-D264 WeakPolarHBondContact CD-OD2 3.38Å; K261-D264 WeakPolarHBondContact CE-OD2 3.26Å; K261-D264 IonicContact NZ-OD2 3.6Å; K261-D264 PolarHBondContact NZ-OD2 2.93Å; K261-D264 PolarHBondContact O-N 2.91Å; I262-D264 VanDerWaalsContact C-N 3.33Å; I262-D264 PolarHBondContact O-N 2.71Å; D264-R266 VanDerWaalsContact C-N 3.33Å; D264-R266 PolarHBondContact O-N 2.72Å; D264-T267 WeakPolarHBondContact O-CB 3.47Å; D264-T267 PolarHBondContact O-N 3.33Å; D264-T267 VanDerWaalsContact O-N 3.14Å; D264-L268 WeakPolarHBondContact O-CG 3.27Å; D264-L268 PolarHBondContact O-N 3.4Å
265L91.5Very high86.5Confident0 Ų044 Ų440%024%0.24CC..Hα-helixtrans-61.2-39.2175.6-74.9170.6000112.4E142 L145 L146 F193 F210 I214 K261 I262 T267 L268 N269E142-L265 HydrophobicContact CB-CB 4.25Å; E142-L265 HydrophobicContact CG-CB 4.25Å; L145-L265 HydrophobicContact CB-CD2 4.15Å; L145-L265 HydrophobicContact CD1-CD2 4.29Å; L146-L265 HydrophobicContact CD1-CD1 4.32Å; L146-L265 HydrophobicContact CD2-CD1 4.27Å; L146-L265 HydrophobicContact CD2-CD2 4.49Å; L146-L265 HydrophobicContact CG-CD1 4.25Å; F193-L265 HydrophobicContact CE1-CD2 3.74Å; F193-L265 HydrophobicContact CE1-CG 4.38Å; F193-L265 HydrophobicContact CE2-CD2 4.04Å; F193-L265 HydrophobicContact CE2-CG 3.82Å; F193-L265 HydrophobicContact CZ-CD1 4.12Å; F193-L265 HydrophobicContact CZ-CD2 3.46Å; F193-L265 VanDerWaalsContact CZ-CD2 3.46Å; F193-L265 HydrophobicContact CZ-CG 3.59Å; F210-L265 HydrophobicContact CE1-CD1 4.46Å; I214-L265 HydrophobicContact CD1-CD1 3.5Å; I214-L265 VanDerWaalsContact CD1-CD1 3.5Å; I214-L265 HydrophobicContact CG1-CD1 4.31Å; K261-L265 WeakPolarHBondContact O-CG 3.14Å; K261-L265 PolarHBondContact O-N 2.85Å; K261-L265 VanDerWaalsContact O-N 3.17Å; I262-L265 PolarHBondContact O-N 3.38Å; L265-T267 VanDerWaalsContact C-N 3.34Å; L265-L268 PolarHBondContact O-N 3.4Å; L265-N269 VanDerWaalsContact O-CB 3.25Å; L265-N269 WeakPolarHBondContact O-CB 3.42Å; L265-N269 PolarHBondContact O-N 3.49Å
266R90.7Very high84.2Confident55 Ų5543.7 Ų43.721%0.20824%0.239CC..Hα-helixtrans-60.7-44.1173.1-67.8-79.5-167.7-78.7-5.6111E142 S217 S219 R220 I262 P263 D264 N269 T270E142-R266 VanDerWaalsContact CD-NH1 3.32Å; E142-R266 WeakPolarHBondContact OE1-CD 3.3Å; E142-R266 IonicContact OE1-CZ 3.25Å; E142-R266 IonicContact OE1-NH1 3.99Å; E142-R266 PolarHBondContact OE1-NH1 2.96Å; E142-R266 IonicContact OE2-CZ 3.97Å; E142-R266 IonicContact OE2-NH1 3.19Å; E142-R266 PolarHBondContact OE2-NH1 3.29Å; S217-R266 VanDerWaalsContact CB-NH2 3.28Å; S217-R266 PolarHBondContact OG-NH2 3.18Å; S219-R266 PolarHBondContact OG-NH2 2.97Å; R220-R266 VanDerWaalsContact NH2-NH1 3.17Å; I262-R266 VanDerWaalsContact O-CG 3.3Å; I262-R266 WeakPolarHBondContact O-CG 3.36Å; I262-R266 PolarHBondContact O-N 3.26Å; P263-R266 WeakPolarHBondContact O-CB 3.4Å; P263-R266 PolarHBondContact O-N 3Å; D264-R266 VanDerWaalsContact C-N 3.33Å; D264-R266 PolarHBondContact O-N 2.72Å; R266-N269 WeakPolarHBondContact O-CB 3.27Å; R266-N269 PolarHBondContact O-N 2.89Å; R266-T270 PolarHBondContact O-N 3.41Å; R266-T270 PolarHBondContact O-OG1 3.27Å; R266-T270 VanDerWaalsContact O-OG1 3.08Å
267T89.7Confident81.3Confident79 Ų7943.9 Ų43.949%0.48524%0.24SC..Hα-helixtrans-64.1-46.8178.7-55.10000111.4P263 D264 L265 N269 T270 L271P263-T267 PolarHBondContact O-N 3.07Å; P263-T267 PolarHBondContact O-OG1 2.72Å; D264-T267 WeakPolarHBondContact O-CB 3.47Å; D264-T267 PolarHBondContact O-N 3.33Å; D264-T267 VanDerWaalsContact O-N 3.14Å; L265-T267 VanDerWaalsContact C-N 3.34Å; T267-N269 VanDerWaalsContact C-N 3.31Å; T267-N269 PolarHBondContact O-N 3.02Å; T267-T270 PolarHBondContact O-N 2.62Å; T267-L271 HydrophobicContact CG2-CD1 4.11Å; T267-L271 HydrophobicContact CG2-CG 4.47Å; T267-L271 WeakPolarHBondContact O-CG 3.34Å; T267-L271 PolarHBondContact O-N 2.99Å
268L85.4Confident78.6Confident6 Ų646.9 Ų46.93%0.03125%0.251CS..Hα-helixtrans-61.9-37175.3-70172.1000112.6L145 L186 L190 F193 D264 L265 H272L145-L268 HydrophobicContact CD1-CB 3.7Å; L145-L268 HydrophobicContact CD1-CD1 3.96Å; L145-L268 HydrophobicContact CD1-CG 4.45Å; L186-L268 HydrophobicContact CD1-CD2 4.23Å; L190-L268 HydrophobicContact CB-CD2 4.31Å; L190-L268 HydrophobicContact CD1-CD1 4.23Å; F193-L268 HydrophobicContact CB-CD1 3.63Å; F193-L268 HydrophobicContact CD1-CD1 4.01Å; F193-L268 HydrophobicContact CD2-CD1 4.18Å; F193-L268 HydrophobicContact CG-CD1 3.65Å; D264-L268 WeakPolarHBondContact O-CG 3.27Å; D264-L268 PolarHBondContact O-N 3.4Å; L265-L268 PolarHBondContact O-N 3.4Å; L268-H272 WeakPolarHBondContact O-CB 3.43Å; L268-H272 PolarHBondContact O-N 3.42Å
269N83.2Confident75.5Confident30 Ų3048.9 Ų48.916%0.1626%0.262CS..Hα-helixtrans-63.8-41.1174.8-164.99.5000111.6A138 F141 E142 L265 R266 T267 A273A138-N269 PolarHBondContact O-ND2 3.25Å; F141-N269 HydrophobicContact CD1-CB 4.05Å; F141-N269 WeakPolarHBondContact CD1-OD1 3.21Å; E142-N269 HydrophobicContact CG-CB 4Å; E142-N269 WeakPolarHBondContact CG-ND2 3.35Å; E142-N269 PolarHBondContact OE1-ND2 3.43Å; L265-N269 VanDerWaalsContact O-CB 3.25Å; L265-N269 WeakPolarHBondContact O-CB 3.42Å; L265-N269 PolarHBondContact O-N 3.49Å; R266-N269 WeakPolarHBondContact O-CB 3.27Å; R266-N269 PolarHBondContact O-N 2.89Å; T267-N269 VanDerWaalsContact C-N 3.31Å; T267-N269 PolarHBondContact O-N 3.02Å; N269-A273 VanDerWaalsContact O-CB 3.26Å; N269-A273 WeakPolarHBondContact O-CB 3.29Å; N269-A273 PolarHBondContact O-N 3.3Å
270T83.1Confident72.5Confident78 Ų7853.1 Ų53.148%0.47929%0.285SS..Hα-helixtrans-66.3-51.2174.2-55.90000112R266 T267 H272 A273 E274R266-T270 PolarHBondContact O-N 3.41Å; R266-T270 PolarHBondContact O-OG1 3.27Å; R266-T270 VanDerWaalsContact O-OG1 3.08Å; T267-T270 PolarHBondContact O-N 2.62Å; T270-H272 VanDerWaalsContact C-N 3.27Å; T270-H272 PolarHBondContact O-N 3.02Å; T270-A273 CarbonylContact O-C 3.46Å; T270-A273 WeakPolarHBondContact O-CA 3.43Å; T270-A273 WeakPolarHBondContact O-CB 3.27Å; T270-A273 PolarHBondContact O-N 2.59Å; T270-E274 WeakPolarHBondContact O-CG 3.43Å; T270-E274 PolarHBondContact O-N 3.35Å
271L78.9Confident69.7Low26 Ų2653.8 Ų53.814%0.13629%0.289CS..Hα-helixtrans-59-37.9177.8-69.4170.9000112.2F185 L186 T267 E274 K275F185-L271 HydrophobicContact CD1-CD1 3.97Å; F185-L271 HydrophobicContact CD1-CD2 3.98Å; F185-L271 HydrophobicContact CE1-CD1 3.76Å; F185-L271 HydrophobicContact CE1-CD2 4Å; L186-L271 HydrophobicContact CD1-CB 3.77Å; T267-L271 HydrophobicContact CG2-CD1 4.11Å; T267-L271 HydrophobicContact CG2-CG 4.47Å; T267-L271 WeakPolarHBondContact O-CG 3.34Å; T267-L271 PolarHBondContact O-N 2.99Å; L271-E274 PolarHBondContact O-N 3.2Å; L271-K275 WeakPolarHBondContact O-CB 3.34Å; L271-K275 WeakPolarHBondContact O-CG 3.17Å; L271-K275 PolarHBondContact O-N 3Å
272H71.2Confident66.9Low11 Ų1158.2 Ų58.25%0.05131%0.314CS..Hα-helixtrans-66.6-42.2171.7170.6-113.2000112.2C86 L88 F141 L186 L268 T270 E274 K275 L276C86-H272 PolarHBondContact SG-CD2 3.44Å; L88-H272 WeakPolarHBondContact CD1-NE2 3.3Å; F141-H272 HydrophobicContact CD1-CB 4.36Å; F141-H272 AromaticContact CD1-ND1 3.71Å; F141-H272 AromaticContact CD2-CE1 3.52Å; F141-H272 AromaticContact CD2-ND1 3.58Å; F141-H272 HydrophobicContact CE1-CB 3.47Å; F141-H272 VanDerWaalsContact CE1-CB 3.47Å; F141-H272 AromaticContact CE1-CG 3.52Å; F141-H272 AromaticContact CE1-ND1 3.46Å; F141-H272 WeakPolarHBondContact CE1-ND1 3.45Å; F141-H272 HydrophobicContact CE2-CB 4.46Å; F141-H272 AromaticContact CE2-CD2 3.82Å; F141-H272 AromaticContact CE2-CE1 3.3Å; F141-H272 WeakPolarHBondContact CE2-CE1 3.01Å; F141-H272 AromaticContact CE2-CG 3.65Å; F141-H272 AromaticContact CE2-ND1 3.34Å; F141-H272 VanDerWaalsContact CE2-ND1 3.34Å; F141-H272 WeakPolarHBondContact CE2-ND1 3.17Å; F141-H272 AromaticContact CE2-NE2 3.62Å; F141-H272 AromaticContact CG-ND1 3.76Å; F141-H272 HydrophobicContact CZ-CB 3.55Å; F141-H272 AromaticContact CZ-CD2 3.63Å; F141-H272 AromaticContact CZ-CE1 3.71Å; F141-H272 AromaticContact CZ-CG 3.19Å; F141-H272 AromaticContact CZ-ND1 3.28Å; F141-H272 VanDerWaalsContact CZ-ND1 3.28Å; F141-H272 WeakPolarHBondContact CZ-ND1 3.49Å; F141-H272 AromaticContact CZ-NE2 3.94Å; L186-H272 HydrophobicContact CD1-CB 4.38Å; L186-H272 HydrophobicContact CD2-CB 4.3Å; L268-H272 WeakPolarHBondContact O-CB 3.43Å; L268-H272 PolarHBondContact O-N 3.42Å; T270-H272 VanDerWaalsContact C-N 3.27Å; T270-H272 PolarHBondContact O-N 3.02Å; H272-E274 VanDerWaalsContact C-N 3.28Å; H272-E274 PolarHBondContact O-N 2.94Å; H272-K275 PolarHBondContact O-N 3.35Å; H272-L276 VanDerWaalsContact CE1-CD1 3.5Å; H272-L276 WeakPolarHBondContact CE1-CD1 3.34Å; H272-L276 WeakPolarHBondContact O-CG 3.49Å; H272-L276 PolarHBondContact O-N 3.14Å
273A67.9Low64.3Low29 Ų2958.1 Ų58.124%0.2432%0.315CS..Hα-helixtrans-63.3-32.5176.400000113N269 T270 L277 R288N269-A273 VanDerWaalsContact O-CB 3.26Å; N269-A273 WeakPolarHBondContact O-CB 3.29Å; N269-A273 PolarHBondContact O-N 3.3Å; T270-A273 CarbonylContact O-C 3.46Å; T270-A273 WeakPolarHBondContact O-CA 3.43Å; T270-A273 WeakPolarHBondContact O-CB 3.27Å; T270-A273 PolarHBondContact O-N 2.59Å; A273-L277 WeakPolarHBondContact O-CG 3.46Å; A273-R288 VanDerWaalsContact CA-NH2 3.33Å; A273-R288 PolarHBondContact O-NH2 3.29Å
274E67Low61.6Low97 Ų9755.3 Ų55.345%0.45330%0.296SS..Hα-helixtrans-73.5-46.5171.3-71.4171.1-166.700112.5T270 L271 H272 L276 L277 I278T270-E274 WeakPolarHBondContact O-CG 3.43Å; T270-E274 PolarHBondContact O-N 3.35Å; L271-E274 PolarHBondContact O-N 3.2Å; H272-E274 VanDerWaalsContact C-N 3.28Å; H272-E274 PolarHBondContact O-N 2.94Å; E274-L276 VanDerWaalsContact C-N 3.26Å; E274-L276 PolarHBondContact O-N 3.44Å; E274-L277 WeakPolarHBondContact O-CA 3.46Å; E274-L277 WeakPolarHBondContact O-CB 3.03Å; E274-L277 PolarHBondContact O-N 3.31Å; E274-I278 PolarHBondContact O-N 3.5Å
275K59.5Low59.2Low15 Ų1557.6 Ų57.67%0.06531%0.308CS..Hα-helixtrans-63.6-33.2178.4-73.3-71.2160.3-161.90112.4S182 N183 L186 L271 H272 L277 I278 L279S182-K275 VanDerWaalsContact C-NZ 3.3Å; S182-K275 WeakPolarHBondContact O-CE 3.5Å; S182-K275 PolarHBondContact O-NZ 2.81Å; S182-K275 PolarHBondContact OG-NZ 3.35Å; N183-K275 PolarHBondContact OD1-NZ 3.01Å; L186-K275 HydrophobicContact CB-CG 4.28Å; L186-K275 HydrophobicContact CD2-CB 3.96Å; L186-K275 HydrophobicContact CD2-CG 3.81Å; L271-K275 WeakPolarHBondContact O-CB 3.34Å; L271-K275 WeakPolarHBondContact O-CG 3.17Å; L271-K275 PolarHBondContact O-N 3Å; H272-K275 PolarHBondContact O-N 3.35Å; K275-L277 VanDerWaalsContact C-N 3.29Å; K275-L277 PolarHBondContact O-N 3.12Å; K275-I278 HydrophobicContact CD-CD1 4.37Å; K275-I278 PolarHBondContact O-N 3.11Å; K275-L279 WeakPolarHBondContact O-CD1 3.23Å; K275-L279 WeakPolarHBondContact O-CG 3.41Å
276L47.3Very low56.9Low10 Ų1063.3 Ų63.35%0.05233%0.333CS..Hα-helixtrans-63.6-30.1167.6-73.7176.3000113H272 E274 Q284H272-L276 VanDerWaalsContact CE1-CD1 3.5Å; H272-L276 WeakPolarHBondContact CE1-CD1 3.34Å; H272-L276 WeakPolarHBondContact O-CG 3.49Å; H272-L276 PolarHBondContact O-N 3.14Å; E274-L276 VanDerWaalsContact C-N 3.26Å; E274-L276 PolarHBondContact O-N 3.44Å; L276-Q284 WeakPolarHBondContact O-CG 3.46Å; L276-Q284 PolarHBondContact O-NE2 3.46Å
277L35.3Very low54.6Low95 Ų9562 Ų6250%0.49733%0.331SS..Hα-helixtrans-74.3-29.9-179.8-76.2163.3000112.2A273 E274 K275 Q284A273-L277 WeakPolarHBondContact O-CG 3.46Å; E274-L277 WeakPolarHBondContact O-CA 3.46Å; E274-L277 WeakPolarHBondContact O-CB 3.03Å; E274-L277 PolarHBondContact O-N 3.31Å; K275-L277 VanDerWaalsContact C-N 3.29Å; K275-L277 PolarHBondContact O-N 3.12Å; L277-Q284 VanDerWaalsContact CA-NE2 3.34Å; L277-Q284 HydrophobicContact CD2-CG 4.32Å; L277-Q284 VanDerWaalsContact N-NE2 3.13Å
278I37.8Very low52.7Low104 Ų10462 Ų6253%0.53332%0.322SS..Hα-helixtrans-76.5-26.5-179-63165.9000112E274 K275 N280E274-I278 PolarHBondContact O-N 3.5Å; K275-I278 HydrophobicContact CD-CD1 4.37Å; K275-I278 PolarHBondContact O-N 3.11Å; I278-N280 VanDerWaalsContact C-N 3.28Å; I278-N280 PolarHBondContact O-N 3.45Å; I278-N280 VanDerWaalsContact O-N 3.08Å
279L31.2Very low50.9Low43 Ų4365 Ų6523%0.22534%0.338CS..SBendtrans-88.845.4-171.5-65.8167.2000114.2C86 K275 S283C86-L279 HydrophobicContact CB-CD1 4.21Å; K275-L279 WeakPolarHBondContact O-CD1 3.23Å; K275-L279 WeakPolarHBondContact O-CG 3.41Å; L279-S283 PolarHBondContact O-OG 3.5Å
280N33.1Very low49.2Very low128 Ų12865.2 Ų65.268%0.68434%0.341SS*.  trans61.5139.3179.6-68.8-39.3000117.1I278 D282 S283I278-N280 VanDerWaalsContact C-N 3.28Å; I278-N280 PolarHBondContact O-N 3.45Å; I278-N280 VanDerWaalsContact O-N 3.08Å; N280-D282 VanDerWaalsContact C-N 3.3Å; N280-D282 PolarHBondContact O-N 3.2Å; N280-S283 PolarHBondContact O-N 3.33Å; N280-S283 PolarHBondContact O-OG 2.87Å
281L36Very low47.7Very low135 Ų13563 Ų6371%0.70733%0.328SS*.Hα-helixtrans-64.2-24.5-167.2-66.8165.3000115S283 Q284L281-S283 VanDerWaalsContact C-N 3.3Å; L281-S283 PolarHBondContact O-N 3.31Å; L281-Q284 WeakPolarHBondContact O-CB 3.43Å
282D34.8Very low46.4Very low124 Ų12464.2 Ų64.266%0.66333%0.334SS*.Hα-helixtrans-75.4-14.9179.9-67.4-62.1000114.4N280 K286N280-D282 VanDerWaalsContact C-N 3.3Å; N280-D282 PolarHBondContact O-N 3.2Å; D282-K286 WeakPolarHBondContact O-CD 3.5Å; D282-K286 WeakPolarHBondContact O-CE 3.33Å; D282-K286 WeakPolarHBondContact O-CG 3.4Å; D282-K286 PolarHBondContact O-NZ 2.97Å; D282-K286 VanDerWaalsContact O-NZ 3.16Å
283S40.7Very low45.4Very low24 Ų2469.1 Ų69.117%0.16836%0.355CS..Hα-helixtrans-91.1-41.9175.375.80000111.2L279 N280 L281 D285 K286 V287L279-S283 PolarHBondContact O-OG 3.5Å; N280-S283 PolarHBondContact O-N 3.33Å; N280-S283 PolarHBondContact O-OG 2.87Å; L281-S283 VanDerWaalsContact C-N 3.3Å; L281-S283 PolarHBondContact O-N 3.31Å; S283-D285 PolarHBondContact O-N 3.43Å; S283-K286 PolarHBondContact O-N 2.84Å; S283-V287 PolarHBondContact O-N 3.3Å
284Q37.4Very low44.8Very low15 Ų1568.2 Ų68.27%0.0735%0.347CS..Hα-helixtrans-38.6-63.6172.6-100.3-72.8-34.600112.7L276 L277 L281 K286 R288L276-Q284 WeakPolarHBondContact O-CG 3.46Å; L276-Q284 PolarHBondContact O-NE2 3.46Å; L277-Q284 VanDerWaalsContact CA-NE2 3.34Å; L277-Q284 HydrophobicContact CD2-CG 4.32Å; L277-Q284 VanDerWaalsContact N-NE2 3.13Å; L281-Q284 WeakPolarHBondContact O-CB 3.43Å; Q284-K286 VanDerWaalsContact C-N 3.31Å; Q284-K286 PolarHBondContact O-N 2.96Å; Q284-R288 WeakPolarHBondContact O-CB 3.27Å; Q284-R288 PolarHBondContact O-N 3.18Å; Q284-R288 VanDerWaalsContact OE1-CD 3.32Å; Q284-R288 VanDerWaalsContact OE1-CZ 3.32Å
285D41.5Very low44.3Very low105 Ų10563.6 Ų63.656%0.56133%0.325SS*.Hα-helixtrans-65.6-35.4-177-101.2-7.1000111.1S283 L289S283-D285 PolarHBondContact O-N 3.43Å; D285-L289 HydrophobicContact CB-CD1 4.32Å; D285-L289 WeakPolarHBondContact O-CA 3.17Å; D285-L289 WeakPolarHBondContact O-CB 3.28Å; D285-L289 VanDerWaalsContact O-CD1 3.27Å; D285-L289 WeakPolarHBondContact O-CD1 3.38Å; D285-L289 PolarHBondContact O-N 3.06Å
286K43.3Very low44.1Very low121 Ų12167.2 Ų67.253%0.52634%0.341SS..Hα-helixtrans-69.5-44.7-178.8-67.9172.5-165.4147.20112D282 S283 Q284 C290D282-K286 WeakPolarHBondContact O-CD 3.5Å; D282-K286 WeakPolarHBondContact O-CE 3.33Å; D282-K286 WeakPolarHBondContact O-CG 3.4Å; D282-K286 PolarHBondContact O-NZ 2.97Å; D282-K286 VanDerWaalsContact O-NZ 3.16Å; S283-K286 PolarHBondContact O-N 2.84Å; Q284-K286 VanDerWaalsContact C-N 3.31Å; Q284-K286 PolarHBondContact O-N 2.96Å; K286-C290 WeakPolarHBondContact O-CB 3.17Å; K286-C290 PolarHBondContact O-N 3.49Å
287V43.2Very low44.5Very low27 Ų2771.3 Ų71.316%0.16436%0.362CS..Hα-helixtrans-70.3-50.8177.8-173.60000110.4L103 S283 L289 C290 V291L103-V287 HydrophobicContact CD2-CG1 4.47Å; L103-V287 HydrophobicContact CD2-CG2 3.47Å; L103-V287 VanDerWaalsContact CD2-CG2 3.47Å; S283-V287 PolarHBondContact O-N 3.3Å; V287-L289 PolarHBondContact O-N 3.33Å; V287-C290 PolarHBondContact O-N 2.9Å; V287-V291 WeakPolarHBondContact O-CG2 3.26Å; V287-V291 PolarHBondContact O-N 3.22Å
288R49.2Very low45.5Very low78 Ų7868.5 Ų68.529%0.29435%0.347SS..Hα-helixtrans-65.5-39.4-179.6-69.2-175.8170.8162.3-5.7111.9A273 Q284 I292A273-R288 VanDerWaalsContact CA-NH2 3.33Å; A273-R288 PolarHBondContact O-NH2 3.29Å; Q284-R288 WeakPolarHBondContact O-CB 3.27Å; Q284-R288 PolarHBondContact O-N 3.18Å; Q284-R288 VanDerWaalsContact OE1-CD 3.32Å; Q284-R288 VanDerWaalsContact OE1-CZ 3.32Å; R288-I292 VanDerWaalsContact O-CB 3.26Å; R288-I292 WeakPolarHBondContact O-CB 3.18Å; R288-I292 WeakPolarHBondContact O-CD1 3.45Å; R288-I292 WeakPolarHBondContact O-CG1 3.37Å; R288-I292 PolarHBondContact O-N 2.85Å
289L47Very low46.3Very low69 Ų6963.6 Ų63.636%0.36132%0.322SS..Hα-helixtrans-70.1-29.5169.8-80.852.4000112.3D285 V287 I292 K293D285-L289 HydrophobicContact CB-CD1 4.32Å; D285-L289 WeakPolarHBondContact O-CA 3.17Å; D285-L289 WeakPolarHBondContact O-CB 3.28Å; D285-L289 VanDerWaalsContact O-CD1 3.27Å; D285-L289 WeakPolarHBondContact O-CD1 3.38Å; D285-L289 PolarHBondContact O-N 3.06Å; V287-L289 PolarHBondContact O-N 3.33Å; L289-I292 PolarHBondContact O-N 3.37Å; L289-K293 HydrophobicContact CB-CD 4.28Å; L289-K293 WeakPolarHBondContact O-CA 3.3Å; L289-K293 WeakPolarHBondContact O-CB 3.44Å; L289-K293 WeakPolarHBondContact O-CD 3.34Å; L289-K293 WeakPolarHBondContact O-CG 3.3Å; L289-K293 PolarHBondContact O-N 3.21Å
290C48.8Very low47.5Very low35 Ų3567.7 Ų67.724%0.23633%0.334CS..Hα-helixtrans-67.6-42.9174.3-91.90000111.5L108 K286 V287 K293 V294L108-C290 HydrophobicContact CD1-CB 3.96Å; K286-C290 WeakPolarHBondContact O-CB 3.17Å; K286-C290 PolarHBondContact O-N 3.49Å; V287-C290 PolarHBondContact O-N 2.9Å; C290-K293 PolarHBondContact O-N 3.28Å; C290-V294 WeakPolarHBondContact O-CB 3.24Å; C290-V294 WeakPolarHBondContact O-CG2 3.16Å; C290-V294 PolarHBondContact O-N 2.8Å
291V50.4Low48.3Very low32 Ų3268.8 Ų68.819%0.19433%0.333CS..Hα-helixtrans-59.3-52.6169.9-172.70000110.2I111 V287 K293 V294 L295I111-V291 HydrophobicContact CD1-CG2 3.93Å; V287-V291 WeakPolarHBondContact O-CG2 3.26Å; V287-V291 PolarHBondContact O-N 3.22Å; V291-K293 VanDerWaalsContact C-N 3.34Å; V291-K293 PolarHBondContact O-N 2.77Å; V291-V294 PolarHBondContact O-N 3.27Å; V291-L295 HydrophobicContact CG1-CD1 3.92Å; V291-L295 HydrophobicContact CG1-CG 4.29Å; V291-L295 WeakPolarHBondContact O-CB 3.39Å; V291-L295 VanDerWaalsContact O-CG 3.24Å; V291-L295 WeakPolarHBondContact O-CG 3.49Å; V291-L295 PolarHBondContact O-N 3.36Å
292I51.5Low48.7Very low51 Ų5165 Ų6526%0.26231%0.313SS..Hα-helixtrans-67.3-30.5-177-67.7166.5000112.6K137 R288 L289 K296K137-I292 HydrophobicContact CG-CG1 4.45Å; R288-I292 VanDerWaalsContact O-CB 3.26Å; R288-I292 WeakPolarHBondContact O-CB 3.18Å; R288-I292 WeakPolarHBondContact O-CD1 3.45Å; R288-I292 WeakPolarHBondContact O-CG1 3.37Å; R288-I292 PolarHBondContact O-N 2.85Å; L289-I292 PolarHBondContact O-N 3.37Å; I292-K296 HydrophobicContact CG2-CD 3.92Å; I292-K296 HydrophobicContact CG2-CG 4.25Å; I292-K296 WeakPolarHBondContact O-CB 3.43Å; I292-K296 VanDerWaalsContact O-CG 3.25Å; I292-K296 WeakPolarHBondContact O-CG 3.37Å; I292-K296 PolarHBondContact O-N 2.89Å
293K51.3Low49.5Very low114 Ų11460.4 Ų60.450%0.49629%0.287SS..Hα-helixtrans-70.9-48.6174-77.9164-178.21700110L289 C290 V291 K296 I297L289-K293 HydrophobicContact CB-CD 4.28Å; L289-K293 WeakPolarHBondContact O-CA 3.3Å; L289-K293 WeakPolarHBondContact O-CB 3.44Å; L289-K293 WeakPolarHBondContact O-CD 3.34Å; L289-K293 WeakPolarHBondContact O-CG 3.3Å; L289-K293 PolarHBondContact O-N 3.21Å; C290-K293 PolarHBondContact O-N 3.28Å; V291-K293 VanDerWaalsContact C-N 3.34Å; V291-K293 PolarHBondContact O-N 2.77Å; K293-K296 PolarHBondContact O-N 2.94Å; K293-I297 HydrophobicContact CB-CD1 4.4Å; K293-I297 VanDerWaalsContact O-CB 3.24Å; K293-I297 WeakPolarHBondContact O-CB 3.23Å; K293-I297 WeakPolarHBondContact O-CD1 3.43Å; K293-I297 WeakPolarHBondContact O-CG1 3.49Å; K293-I297 PolarHBondContact O-N 3.35Å
294V55Low50.3Low11 Ų1167.9 Ų67.97%0.06731%0.312CS..Hα-helixtrans-57-53.4174163.50000109.7L108 I111 R112 C290 V291 K296 I297 D298L108-V294 HydrophobicContact CD1-CB 4.44Å; L108-V294 HydrophobicContact CD1-CG2 3.5Å; L108-V294 HydrophobicContact CD2-CG2 4.15Å; L108-V294 HydrophobicContact CG-CG2 3.81Å; I111-V294 HydrophobicContact CG2-CG1 4.24Å; R112-V294 HydrophobicContact CG-CG1 3.87Å; C290-V294 WeakPolarHBondContact O-CB 3.24Å; C290-V294 WeakPolarHBondContact O-CG2 3.16Å; C290-V294 PolarHBondContact O-N 2.8Å; V291-V294 PolarHBondContact O-N 3.27Å; V294-K296 PolarHBondContact O-N 2.97Å; V294-I297 PolarHBondContact O-N 3.45Å; V294-I297 VanDerWaalsContact O-N 3.14Å; V294-D298 WeakPolarHBondContact CG1-OD2 3.44Å; V294-D298 WeakPolarHBondContact O-CB 3.18Å; V294-D298 PolarHBondContact O-N 3.43Å
295L55.6Low50.9Low0 Ų070.4 Ų70.40%033%0.331CS..Hα-helixtrans-53.5-53.5175.7-68178.3000112.4V115 L136 K137 V291 I297 I299V115-L295 HydrophobicContact CG1-CD2 4.45Å; V115-L295 HydrophobicContact CG2-CD2 3.44Å; V115-L295 VanDerWaalsContact CG2-CD2 3.44Å; L136-L295 HydrophobicContact CB-CD1 4.13Å; L136-L295 HydrophobicContact CB-CD2 3.56Å; L136-L295 HydrophobicContact CB-CG 4.49Å; L136-L295 HydrophobicContact CD1-CD2 3.87Å; L136-L295 HydrophobicContact CD2-CD2 4.5Å; L136-L295 HydrophobicContact CG-CD2 4.18Å; K137-L295 HydrophobicContact CB-CD1 4.49Å; K137-L295 HydrophobicContact CG-CD1 3.92Å; V291-L295 HydrophobicContact CG1-CD1 3.92Å; V291-L295 HydrophobicContact CG1-CG 4.29Å; V291-L295 WeakPolarHBondContact O-CB 3.39Å; V291-L295 VanDerWaalsContact O-CG 3.24Å; V291-L295 WeakPolarHBondContact O-CG 3.49Å; V291-L295 PolarHBondContact O-N 3.36Å; L295-I297 VanDerWaalsContact C-N 3.31Å; L295-I297 PolarHBondContact O-N 3.33Å; L295-I299 HydrophobicContact CB-CD1 4.35Å; L295-I299 VanDerWaalsContact O-CB 3.22Å; L295-I299 WeakPolarHBondContact O-CB 3.37Å; L295-I299 VanDerWaalsContact O-CD1 3.32Å; L295-I299 WeakPolarHBondContact O-CD1 3.47Å; L295-I299 WeakPolarHBondContact O-CG1 3.42Å; L295-I299 PolarHBondContact O-N 3.13Å
296K55.6Low51.5Low90 Ų9069.9 Ų69.939%0.39132%0.321SS..Hα-helixtrans-68.6-22.1-179.6-74.2-177.3175.6-1750113.9I133 I292 K293 V294 R300I133-K296 HydrophobicContact CD1-CG 4.45Å; I292-K296 HydrophobicContact CG2-CD 3.92Å; I292-K296 HydrophobicContact CG2-CG 4.25Å; I292-K296 WeakPolarHBondContact O-CB 3.43Å; I292-K296 VanDerWaalsContact O-CG 3.25Å; I292-K296 WeakPolarHBondContact O-CG 3.37Å; I292-K296 PolarHBondContact O-N 2.89Å; K293-K296 PolarHBondContact O-N 2.94Å; V294-K296 PolarHBondContact O-N 2.97Å; K296-R300 WeakPolarHBondContact O-CB 3.27Å; K296-R300 WeakPolarHBondContact O-CG 3.39Å; K296-R300 PolarHBondContact O-NE 3.45Å; K296-R300 PolarHBondContact O-NH2 2.99Å
297I55.3Low52.4Low97 Ų9767 Ų6750%0.49731%0.312SS..Hα-helixtrans-85.6-52.8176.6-70.5165.7000108.9K293 V294 L295 I299 R300 F301K293-I297 HydrophobicContact CB-CD1 4.4Å; K293-I297 VanDerWaalsContact O-CB 3.24Å; K293-I297 WeakPolarHBondContact O-CB 3.23Å; K293-I297 WeakPolarHBondContact O-CD1 3.43Å; K293-I297 WeakPolarHBondContact O-CG1 3.49Å; K293-I297 PolarHBondContact O-N 3.35Å; V294-I297 PolarHBondContact O-N 3.45Å; V294-I297 VanDerWaalsContact O-N 3.14Å; L295-I297 VanDerWaalsContact C-N 3.31Å; L295-I297 PolarHBondContact O-N 3.33Å; I297-I299 VanDerWaalsContact C-N 3.32Å; I297-I299 PolarHBondContact O-N 3.23Å; I297-R300 PolarHBondContact O-N 3.1Å; I297-F301 VanDerWaalsContact O-CB 3.27Å; I297-F301 WeakPolarHBondContact O-CB 3.29Å; I297-F301 PolarHBondContact O-N 3.31Å
298D55.9Low53.3Low35 Ų3569.1 Ų69.119%0.18732%0.322CS..Hα-helixtrans-68.5-27.9-173.1-73.68.8000113.1V115 K119 V294 M302V115-D298 HydrophobicContact CG1-CB 4.28Å; K119-D298 VanDerWaalsContact CE-O 3.27Å; K119-D298 WeakPolarHBondContact CE-O 3.43Å; K119-D298 PolarHBondContact NZ-O 3.46Å; V294-D298 WeakPolarHBondContact CG1-OD2 3.44Å; V294-D298 WeakPolarHBondContact O-CB 3.18Å; V294-D298 PolarHBondContact O-N 3.43Å; D298-M302 WeakPolarHBondContact O-CG 3.46Å; D298-M302 PolarHBondContact O-N 2.82Å
299I55.1Low53.2Low2 Ų270.6 Ų70.61%0.0134%0.335CS..Hα-helixtrans-77.6-51.5172.1-63.5166000110.2E129 I133 L136 L295 I297 F301 M302 Q303E129-I299 HydrophobicContact CG-CG2 3.85Å; I133-I299 HydrophobicContact CG1-CD1 3.59Å; L136-I299 HydrophobicContact CD1-CD1 3.8Å; L136-I299 HydrophobicContact CD1-CG1 4.34Å; L295-I299 HydrophobicContact CB-CD1 4.35Å; L295-I299 VanDerWaalsContact O-CB 3.22Å; L295-I299 WeakPolarHBondContact O-CB 3.37Å; L295-I299 VanDerWaalsContact O-CD1 3.32Å; L295-I299 WeakPolarHBondContact O-CD1 3.47Å; L295-I299 WeakPolarHBondContact O-CG1 3.42Å; L295-I299 PolarHBondContact O-N 3.13Å; I297-I299 VanDerWaalsContact C-N 3.32Å; I297-I299 PolarHBondContact O-N 3.23Å; I299-F301 VanDerWaalsContact C-N 3.3Å; I299-F301 PolarHBondContact O-N 3.39Å; I299-M302 PolarHBondContact O-N 3.17Å; I299-Q303 HydrophobicContact CG2-CG 4.32Å; I299-Q303 WeakPolarHBondContact O-CG 3.42Å; I299-Q303 PolarHBondContact O-N 2.94Å
300R56.8Low54Low128 Ų12871.8 Ų71.848%0.48334%0.341SS..Hα-helixtrans-63.7-32.5-179.6-74.1-175.4-63.1167.34113.2E129 K296 I297 R304E129-R300 WeakPolarHBondContact OE1-CG 3.47Å; K296-R300 WeakPolarHBondContact O-CB 3.27Å; K296-R300 WeakPolarHBondContact O-CG 3.39Å; K296-R300 PolarHBondContact O-NE 3.45Å; K296-R300 PolarHBondContact O-NH2 2.99Å; I297-R300 PolarHBondContact O-N 3.1Å; R300-R304 WeakPolarHBondContact O-CB 3.23Å; R300-R304 VanDerWaalsContact O-CG 3.3Å; R300-R304 WeakPolarHBondContact O-CG 3.49Å; R300-R304 PolarHBondContact O-N 2.93Å
301F50.6Low54.9Low151 Ų15175.5 Ų75.566%0.66235%0.35SS*.Hα-helixtrans-67-47.2174-173.8-94.8000111.5I297 I299 Q303 R304 S305I297-F301 VanDerWaalsContact O-CB 3.27Å; I297-F301 WeakPolarHBondContact O-CB 3.29Å; I297-F301 PolarHBondContact O-N 3.31Å; I299-F301 VanDerWaalsContact C-N 3.3Å; I299-F301 PolarHBondContact O-N 3.39Å; F301-Q303 PolarHBondContact O-N 3.1Å; F301-R304 PolarHBondContact O-N 3.43Å; F301-S305 PolarHBondContact O-N 2.87Å
302M43.1Very low55.6Low56 Ų5680.2 Ų80.228%0.27637%0.368SS..Hα-helixtrans-59.8-46.6174.2-74.8-74-69.300112.2K119 L125 D298 I299 R304 S305 R306K119-M302 HydrophobicContact CB-CE 4.26Å; K119-M302 HydrophobicContact CD-CE 4.12Å; K119-M302 HydrophobicContact CD-CG 3.86Å; K119-M302 HydrophobicContact CD-SD 4.28Å; K119-M302 HydrophobicContact CG-CE 4.4Å; L125-M302 HydrophobicContact CD1-CE 4.04Å; D298-M302 WeakPolarHBondContact O-CG 3.46Å; D298-M302 PolarHBondContact O-N 2.82Å; I299-M302 PolarHBondContact O-N 3.17Å; M302-R304 VanDerWaalsContact C-N 3.33Å; M302-R304 PolarHBondContact O-N 3.21Å; M302-S305 PolarHBondContact O-N 3.41Å; M302-R306 PolarHBondContact O-N 3.13Å
303Q52.9Low56.1Low28 Ų2880.7 Ų80.713%0.13137%0.373CS..Hα-helixtrans-67.9-33-179.6-66.9-160.717.200112.2I299 F301 N307I299-Q303 HydrophobicContact CG2-CG 4.32Å; I299-Q303 WeakPolarHBondContact O-CG 3.42Å; I299-Q303 PolarHBondContact O-N 2.94Å; F301-Q303 PolarHBondContact O-N 3.1Å; Q303-N307 WeakPolarHBondContact O-CB 3.44Å; Q303-N307 PolarHBondContact O-N 3.32Å; Q303-N307 PolarHBondContact O-ND2 2.85Å; Q303-N307 PolarHBondContact O-OD1 2.93Å
304R57Low56.9Low180 Ų18081.7 Ų81.768%0.67938%0.377SS*.Hα-helixtrans-60.3-53167.4-79.7177.7176.6-162.5-2.3111.2R300 F301 M302 R306 N307 D308R300-R304 WeakPolarHBondContact O-CB 3.23Å; R300-R304 VanDerWaalsContact O-CG 3.3Å; R300-R304 WeakPolarHBondContact O-CG 3.49Å; R300-R304 PolarHBondContact O-N 2.93Å; F301-R304 PolarHBondContact O-N 3.43Å; M302-R304 VanDerWaalsContact C-N 3.33Å; M302-R304 PolarHBondContact O-N 3.21Å; R304-R306 PolarHBondContact O-N 3.37Å; R304-N307 CarbonylContact O-C 3.59Å; R304-N307 PolarHBondContact O-N 3.46Å; R304-N307 VanDerWaalsContact O-N 3.09Å; R304-D308 WeakPolarHBondContact O-CB 3.5Å; R304-D308 VanDerWaalsContact O-CG 3.23Å; R304-D308 PolarHBondContact O-N 2.9Å
305S49.1Very low57.3Low68 Ų6887.8 Ų87.848%0.47640%0.399SS..Hα-helixtrans-55.6-46.1178.1-173.50000112.6F301 M302 D308 L309F301-S305 PolarHBondContact O-N 2.87Å; M302-S305 PolarHBondContact O-N 3.41Å; S305-D308 PolarHBondContact O-N 3.47Å; S305-L309 PolarHBondContact O-N 3.49Å
306R55.6Low57.4Low95 Ų9592 Ų9236%0.35843%0.425SS..Hα-helixtrans-62.2-45.5174.6-168.6-169.170.4173.8-8.4112L125 M302 R304 D308 L309 I310L125-R306 PolarHBondContact O-NH1 3.35Å; M302-R306 PolarHBondContact O-N 3.13Å; R304-R306 PolarHBondContact O-N 3.37Å; R306-D308 VanDerWaalsContact C-N 3.28Å; R306-D308 PolarHBondContact O-N 3.35Å; R306-L309 PolarHBondContact O-N 3.06Å; R306-I310 HydrophobicContact CG-CD1 3.98Å; R306-I310 VanDerWaalsContact O-CG1 3.3Å; R306-I310 WeakPolarHBondContact O-CG1 3.16Å; R306-I310 PolarHBondContact O-N 3.33Å
307N61.2Low57.5Low61 Ų6192.6 Ų92.633%0.32643%0.432SS..Hα-helixtrans-70.5-26.7-179.7-65.2-11.9000111.8Q303 R304 R311Q303-N307 WeakPolarHBondContact O-CB 3.44Å; Q303-N307 PolarHBondContact O-N 3.32Å; Q303-N307 PolarHBondContact O-ND2 2.85Å; Q303-N307 PolarHBondContact O-OD1 2.93Å; R304-N307 CarbonylContact O-C 3.59Å; R304-N307 PolarHBondContact O-N 3.46Å; R304-N307 VanDerWaalsContact O-N 3.09Å; N307-R311 WeakPolarHBondContact O-CB 3.22Å; N307-R311 WeakPolarHBondContact O-CG 3.35Å; N307-R311 VanDerWaalsContact O-CZ 3.28Å; N307-R311 PolarHBondContact O-N 3.4Å; N307-R311 PolarHBondContact O-NE 3.33Å; N307-R311 PolarHBondContact O-NH2 3.24Å
308D62.6Low57.4Low71 Ų7193.6 Ų93.638%0.3844%0.436SS..Hα-helixtrans-70.6-41.5169.7-70.3-36000111R304 S305 R306 R311 K312R304-D308 WeakPolarHBondContact O-CB 3.5Å; R304-D308 VanDerWaalsContact O-CG 3.23Å; R304-D308 PolarHBondContact O-N 2.9Å; S305-D308 PolarHBondContact O-N 3.47Å; R306-D308 VanDerWaalsContact C-N 3.28Å; R306-D308 PolarHBondContact O-N 3.35Å; D308-R311 CarbonylContact O-C 3.6Å; D308-R311 PolarHBondContact O-N 3.11Å; D308-R311 IonicContact OD1-CZ 3.71Å; D308-R311 IonicContact OD1-NH1 2.81Å; D308-R311 PolarHBondContact OD1-NH1 2.9Å; D308-R311 IonicContact OD1-NH2 2.68Å; D308-R311 PolarHBondContact OD1-NH2 2.83Å; D308-K312 WeakPolarHBondContact O-CG 3.15Å; D308-K312 PolarHBondContact O-N 2.99Å
309L47.7Very low57.2Low108 Ų10896.3 Ų96.357%0.56545%0.451SS*.Hα-helixtrans-64.1-47.2173.9-175.763.2000111.6S305 R306 R311 K312 V313S305-L309 PolarHBondContact O-N 3.49Å; R306-L309 PolarHBondContact O-N 3.06Å; L309-R311 VanDerWaalsContact C-N 3.28Å; L309-R311 PolarHBondContact O-N 2.99Å; L309-K312 WeakPolarHBondContact O-CB 3.39Å; L309-K312 PolarHBondContact O-N 3.32Å; L309-V313 HydrophobicContact CD1-CG2 4.5Å; L309-V313 WeakPolarHBondContact O-CG2 3.46Å; L309-V313 PolarHBondContact O-N 3.5Å
310I63.5Low57.1Low94 Ų94101 Ų10148%0.48248%0.479SS..Hα-helixtrans-58.3-41.1174-67.5165.7000110.6R306 K314R306-I310 HydrophobicContact CG-CD1 3.98Å; R306-I310 VanDerWaalsContact O-CG1 3.3Å; R306-I310 WeakPolarHBondContact O-CG1 3.16Å; R306-I310 PolarHBondContact O-N 3.33Å; I310-K314 VanDerWaalsContact O-CB 3.27Å; I310-K314 WeakPolarHBondContact O-CB 3.27Å; I310-K314 PolarHBondContact O-N 2.89Å
311R66Low56.6Low113 Ų113100.5 Ų100.543%0.42649%0.486SS..Hα-helixtrans-71.1-27.1175-82.5-178.8-81.498.73.2113.9N307 D308 L309 R315N307-R311 WeakPolarHBondContact O-CB 3.22Å; N307-R311 WeakPolarHBondContact O-CG 3.35Å; N307-R311 VanDerWaalsContact O-CZ 3.28Å; N307-R311 PolarHBondContact O-N 3.4Å; N307-R311 PolarHBondContact O-NE 3.33Å; N307-R311 PolarHBondContact O-NH2 3.24Å; D308-R311 CarbonylContact O-C 3.6Å; D308-R311 PolarHBondContact O-N 3.11Å; D308-R311 IonicContact OD1-CZ 3.71Å; D308-R311 IonicContact OD1-NH1 2.81Å; D308-R311 PolarHBondContact OD1-NH1 2.9Å; D308-R311 IonicContact OD1-NH2 2.68Å; D308-R311 PolarHBondContact OD1-NH2 2.83Å; L309-R311 VanDerWaalsContact C-N 3.28Å; L309-R311 PolarHBondContact O-N 2.99Å; R311-R315 WeakPolarHBondContact O-CG 3.42Å; R311-R315 PolarHBondContact O-N 3.36Å
312K65.6Low56.4Low131 Ų13196.8 Ų96.857%0.5748%0.479SS*.Hα-helixtrans-69-56.3169.8-76.4174.1178.3-177.70110.3D308 L309 K314 R315 T316D308-K312 WeakPolarHBondContact O-CG 3.15Å; D308-K312 PolarHBondContact O-N 2.99Å; L309-K312 WeakPolarHBondContact O-CB 3.39Å; L309-K312 PolarHBondContact O-N 3.32Å; K312-K314 VanDerWaalsContact C-N 3.29Å; K312-K314 PolarHBondContact O-N 2.94Å; K312-R315 WeakPolarHBondContact O-CB 3.41Å; K312-R315 PolarHBondContact O-N 2.86Å; K312-T316 PolarHBondContact O-N 2.95Å; K312-T316 VanDerWaalsContact O-N 3.08Å; K312-T316 PolarHBondContact O-OG1 3.39Å
313V63.1Low56.3Low61 Ų61101.1 Ų101.137%0.3750%0.503SS..Hα-helixtrans-56.2-43179.2174.80000111.2L309 R315 T316 L317L309-V313 HydrophobicContact CD1-CG2 4.5Å; L309-V313 WeakPolarHBondContact O-CG2 3.46Å; L309-V313 PolarHBondContact O-N 3.5Å; V313-R315 VanDerWaalsContact C-N 3.34Å; V313-R315 PolarHBondContact O-N 2.88Å; V313-T316 PolarHBondContact O-N 2.93Å; V313-L317 WeakPolarHBondContact O-CB 3.4Å; V313-L317 PolarHBondContact O-N 2.9Å
314K67.3Low55.9Low135 Ų135103.8 Ų103.859%0.58753%0.53SS*.Hα-helixtrans-64-33.8177-173.3171.5-178.3178.70113.3I310 K312 M318I310-K314 VanDerWaalsContact O-CB 3.27Å; I310-K314 WeakPolarHBondContact O-CB 3.27Å; I310-K314 PolarHBondContact O-N 2.89Å; K312-K314 VanDerWaalsContact C-N 3.29Å; K312-K314 PolarHBondContact O-N 2.94Å; K314-M318 HydrophobicContact CG-SD 4.12Å; K314-M318 VanDerWaalsContact O-CG 3.27Å; K314-M318 WeakPolarHBondContact O-CG 3.2Å; K314-M318 PolarHBondContact O-N 2.88Å
315R62.5Low55Low140 Ų140102.4 Ų102.453%0.52854%0.536SS..Hα-helixtrans-65.9-52.5172.2-74.4-174.4-138.6115.6-4.3110.3R311 K312 V313 L317 M318 D319R311-R315 WeakPolarHBondContact O-CG 3.42Å; R311-R315 PolarHBondContact O-N 3.36Å; K312-R315 WeakPolarHBondContact O-CB 3.41Å; K312-R315 PolarHBondContact O-N 2.86Å; V313-R315 VanDerWaalsContact C-N 3.34Å; V313-R315 PolarHBondContact O-N 2.88Å; R315-L317 PolarHBondContact O-N 2.9Å; R315-M318 CarbonylContact O-C 3.55Å; R315-M318 WeakPolarHBondContact O-CA 3.33Å; R315-M318 WeakPolarHBondContact O-CB 3.17Å; R315-M318 PolarHBondContact O-N 2.9Å; R315-D319 PolarHBondContact O-N 3.13Å
316T58.9Low54.4Low88 Ų88105.9 Ų105.954%0.5456%0.555SS.*Hα-helixtrans-56.8-30.8179.3-46.70000112.9K312 V313 D319 T320K312-T316 PolarHBondContact O-N 2.95Å; K312-T316 VanDerWaalsContact O-N 3.08Å; K312-T316 PolarHBondContact O-OG1 3.39Å; V313-T316 PolarHBondContact O-N 2.93Å; T316-D319 WeakPolarHBondContact CA-OD2 3.45Å; T316-D319 PolarHBondContact N-OD2 2.92Å; T316-T320 WeakPolarHBondContact O-CG2 3.29Å; T316-T320 PolarHBondContact O-N 2.67Å; T316-T320 PolarHBondContact O-OG1 3.49Å
317L58.2Low53.7Low103 Ų103106 Ų10654%0.53958%0.577SS.*Hα-helixtrans-80.9-14.1174.1-150.385.2000114.6V313 R315 N321V313-L317 WeakPolarHBondContact O-CB 3.4Å; V313-L317 PolarHBondContact O-N 2.9Å; R315-L317 PolarHBondContact O-N 2.9Å; L317-N321 PolarHBondContact O-ND2 3.21Å
318M53.2Low52.7Low118 Ų118110.8 Ų110.858%0.58160%0.602SS**Hα-helixtrans-93.1-40.2171.9-71.3177.167.500110.7K314 R315 T320 N321 S322K314-M318 HydrophobicContact CG-SD 4.12Å; K314-M318 VanDerWaalsContact O-CG 3.27Å; K314-M318 WeakPolarHBondContact O-CG 3.2Å; K314-M318 PolarHBondContact O-N 2.88Å; R315-M318 CarbonylContact O-C 3.55Å; R315-M318 WeakPolarHBondContact O-CA 3.33Å; R315-M318 WeakPolarHBondContact O-CB 3.17Å; R315-M318 PolarHBondContact O-N 2.9Å; M318-T320 PolarHBondContact O-N 3.48Å; M318-N321 PolarHBondContact O-N 2.87Å; M318-S322 PolarHBondContact O-N 3.47Å
319D50.8Low51.4Low92 Ų92113.7 Ų113.749%0.49262%0.623SS.*Hα-helixtrans-59.1-33.3174.4-49.6-32.6000111R315 T316 N321 S322R315-D319 PolarHBondContact O-N 3.13Å; T316-D319 WeakPolarHBondContact CA-OD2 3.45Å; T316-D319 PolarHBondContact N-OD2 2.92Å; D319-N321 VanDerWaalsContact C-N 3.28Å; D319-N321 PolarHBondContact O-N 3.37Å; D319-S322 PolarHBondContact O-OG 2.97Å
320T53.7Low51Low99 Ų99115.7 Ų115.761%0.60764%0.64SS**THydrogen-bonded Turntrans-80.10.9174.351.30000115.2T316 M318T316-T320 WeakPolarHBondContact O-CG2 3.29Å; T316-T320 PolarHBondContact O-N 2.67Å; T316-T320 PolarHBondContact O-OG1 3.49Å; M318-T320 PolarHBondContact O-N 3.48Å
321N45.3Very low49.7Very low118 Ų118114.8 Ų114.863%0.63165%0.653SS**THydrogen-bonded Turntrans-1170.4177.1-77.5-80.8000113.2L317 M318 D319L317-N321 PolarHBondContact O-ND2 3.21Å; M318-N321 PolarHBondContact O-N 2.87Å; D319-N321 VanDerWaalsContact C-N 3.28Å; D319-N321 PolarHBondContact O-N 3.37Å
322S45.8Very low48.3Very low74 Ų74118.3 Ų118.352%0.51767%0.674SS.*SBendtrans-86.6-23175.447.50000114.3M318 D319 A324M318-S322 PolarHBondContact O-N 3.47Å; D319-S322 PolarHBondContact O-OG 2.97Å; S322-A324 VanDerWaalsContact C-N 3.28Å; S322-A324 PolarHBondContact O-N 2.86Å
323D41.8Very low46.9Very low146 Ų146119.6 Ų119.678%0.78168%0.682SS**THydrogen-bonded Turntrans-91.919.2-162.8-61.85.4000113.2
324A44Very low45.5Very low85 Ų85123.2 Ų123.270%0.70270%0.699SS**THydrogen-bonded Turntrans-106.4-21.2-174.900000114.9S322S322-A324 VanDerWaalsContact C-N 3.28Å; S322-A324 PolarHBondContact O-N 2.86Å
325D37.9Very low44.1Very low150 Ų150124.3 Ų124.380%0.80271%0.709SS**SBendtrans-103.949.1-168.5-76.3-35.9000113.7
326T37Very low42.8Very low141 Ų141122.2 Ų122.287%0.86571%0.714SS**  trans-152.882.3172.6-47.70000113.5
327A42Very low41.7Very low99 Ų99125.1 Ų125.182%0.81873%0.726SS**  trans-151.9104.3167.400000113.3
328D38.9Very low40.6Very low161 Ų161128 Ų12886%0.86174%0.737SS**  trans19.9120.7160.7-62.7-25.1000123.2
329T35.3Very low39.5Very low132 Ų132129.5 Ų129.581%0.8175%0.747SS**  trans-73129.4147.848.30000112.2
330T40.1Very low38.9Very low150 Ų150131.1 Ų131.192%0.9277%0.766SS**  trans173.4161.5137.326.40000112.1
331G36.7Very low38Very low75 Ų75130.3 Ų130.377%0.77377%0.769SS**  trans109.660.1149.100000120.7
332H36.3Very low37.5Very low186 Ų186132.8 Ų132.886%0.86178%0.782SS**  trans7133.5149.7-83.9-92.2000122.2
333H35.9Very low36.7Very low159 Ų159134.4 Ų134.474%0.73679%0.793SS**  131.1134120-144.8-79.8000117.5
334L33.2Very low36.3Very low137 Ų137133.5 Ų133.572%0.71780%0.799SS**  trans-43.5145.8177-57.7151.1000114
335I37.9Very low35.7Very low157 Ų157132.2 Ų132.281%0.80579%0.794SS**  -158.5150.470.3-85.2165.4000110.8
336P36Very low35.3Very low97 Ų97133.6 Ų133.663%0.6380%0.799SS**  trans-87.9164.7176.437.2-37.8000114.1
337D35.2Very low34.8Very low148 Ų148131.1 Ų131.179%0.79179%0.788SS**  -175.4144.2128.9-92.4-18.3000113.1
338E35.5Very low34.3Very low164 Ų164132 Ų13277%0.76679%0.785SS**  trans52.7135.5155.2-54.1-74.670.900123.6
339D31.3Very low33.7Very low149 Ų149130.4 Ų130.480%0.79778%0.781SS**  trans46.4103.9147.1-72-6.9000122.9
340S37Very low33.5Very low127 Ų127128.7 Ų128.789%0.88878%0.775SS**  -175.1156.992.3-169.20000112.3
341A34.7Very low33Very low82 Ų82127.1 Ų127.168%0.67877%0.77SS**  trans-90132.9-173.400000113.8
342N34.2Very low32.6Very low170 Ų170129.8 Ų129.891%0.90977%0.766SS**  -167.8132.6122.2-96.8-43.3000111.2
343S30.4Very low32.4Very low107 Ų107128.9 Ų128.975%0.74877%0.767SS**  trans-126.4166.3176.367.90000111
344S33.2Very low32.1Very low128 Ų128129.9 Ų129.990%0.89577%0.772SS**  trans76.5142.8-166.782.30000115
345G30.6Very low31.9Very low58 Ų58130.8 Ų130.860%0.59878%0.777SS**  cis-179.198.9-6.500000111.3S347G345-S347 PolarHBondContact O-N 3.24Å; G345-S347 PolarHBondContact O-OG 2.85Å
346I29Very low31.5Very low178 Ų178131.1 Ų131.191%0.91378%0.775SS**  trans-65.1106.1-171.8-57.7177.1000110.3
347S27Very low31.1Very low89 Ų89130 Ų13062%0.62277%0.774SS**  trans-111.3120.7176.8-59.80000108.9G345 T349G345-S347 PolarHBondContact O-N 3.24Å; G345-S347 PolarHBondContact O-OG 2.85Å; S347-T349 PolarHBondContact O-N 3.14Å
348P31.2Very low30.8Very low119 Ų119131.2 Ų131.277%0.77378%0.78SS**  trans-77.884-174.330.8-35.2000111.9S350P348-S350 VanDerWaalsContact C-N 3.27Å; P348-S350 PolarHBondContact O-N 3.32Å
349T26.6Very low30.5Very low126 Ų126128.1 Ų128.177%0.77378%0.783SS**  trans-76.577.1168.356.40000110.1S347 S351S347-T349 PolarHBondContact O-N 3.14Å; T349-S351 PolarHBondContact O-N 3.38Å
350S31.8Very low30.4Very low97 Ų97126.6 Ų126.668%0.67878%0.784SS**  trans-74.686.8-175.343.50000113P348 L352P348-S350 VanDerWaalsContact C-N 3.27Å; P348-S350 PolarHBondContact O-N 3.32Å; S350-L352 PolarHBondContact O-N 2.79Å
351S28.3Very low29.8Very low117 Ų117127.8 Ų127.882%0.81878%0.779SS**  trans-50.4117.8170.6-60.40000112.4T349T349-S351 PolarHBondContact O-N 3.38Å
352L30Very low29.2Very low131 Ų131134.8 Ų134.869%0.68679%0.79SS**  trans-117.224-179.9-151.1102.7000113.9S350S350-L352 PolarHBondContact O-N 2.79Å
353N31.2Very low28.8Very low167 Ų167130.9 Ų130.989%0.89378%0.781SS**  trans-95.920.8-173.9-71.3-2000114.5
354H29.4Very low28.6Very low180 Ų180132.2 Ų132.283%0.83378%0.778SS**  trans-136.153.5-170.8-160.9-75.8000113.8
355L29.1Very low28.2Very low156 Ų156130.7 Ų130.782%0.81777%0.768SS**  trans-151.423.2174.8-112.4154000115.7
356E29.9Very low28Very low163 Ų163132.7 Ų132.776%0.76277%0.768SS**  trans-96.862.9159.8-83.7-161.9126.500110.9R49R49-E356 IonicContact CZ-OE1 2.67Å; R49-E356 IonicContact CZ-OE2 2.7Å; R49-E356 IonicContact NH1-OE1 3.28Å; R49-E356 IonicContact NH2-OE1 4Å; R49-E356 PolarHBondContact NH2-OE1 3.49Å; R49-E356 IonicContact NH2-OE2 2.69Å; R49-E356 PolarHBondContact NH2-OE2 3.37Å
357A28.3Very low27.9Very low75 Ų75128.8 Ų128.862%0.6276%0.757SS**  trans-124.9139.6166.400000108.9
358N27Very low27.9Very low172 Ų172129.6 Ų129.692%0.9277%0.769SS**  trans90.843.6-171.5-51.2-42.8000117.3
359A29.1Very low27.7Very low99 Ų99127.2 Ų127.282%0.81876%0.759SS**SBendtrans-116.8120150.100000108.5L361A359-L361 PolarHBondContact O-N 2.79Å
360S29.3Very low27.8Very low117 Ų117124.9 Ų124.982%0.81876%0.76SS**  trans-78114.5-162.2-60.60000114.7
361L24.4Very low27.6Very low152 Ų152131.4 Ų131.480%0.79677%0.772SS**  trans36.584.6137.4-63.8173.4000117.9A359A359-L361 PolarHBondContact O-N 2.79Å
362Y23.9Very low27.7Very low230 Ų230130.5 Ų130.590%0.90277%0.771SS**  trans-141.449.1137.8-100.6-72.7000110.6I364Y362-I364 PolarHBondContact O-N 2.94Å; Y362-I364 VanDerWaalsContact O-N 3.1Å
363A25.4Very low27.5Very low87 Ų87129.7 Ų129.772%0.71978%0.777SS**  trans-74.896.3173.500000110S365A363-S365 PolarHBondContact O-N 3.3Å
364I26Very low27.3Very low135 Ų135127 Ų12769%0.69277%0.769SS**  trans-68101.7165.9-64.8175.9000107.3Y362 V366Y362-I364 PolarHBondContact O-N 2.94Å; Y362-I364 VanDerWaalsContact O-N 3.1Å; I364-V366 HydrophobicContact CG2-CG2 4.24Å; I364-V366 PolarHBondContact O-N 3.25Å
365S24.9Very low27.3Very low97 Ų97125 Ų12568%0.67876%0.764SS**  trans-69.190.3176.5-61.40000110.3A363 S367A363-S365 PolarHBondContact O-N 3.3Å; S365-S367 PolarHBondContact O-N 3.06Å
366V27.1Very low27.1Very low99 Ų99126.3 Ų126.360%0.676%0.763SS**  trans-72.574167.3-174.30000108.3I364 A368I364-V366 HydrophobicContact CG2-CG2 4.24Å; I364-V366 PolarHBondContact O-N 3.25Å; V366-A368 VanDerWaalsContact C-N 3.3Å; V366-A368 PolarHBondContact O-N 3.32Å
367S26.3Very low26.9Very low96 Ų96128.2 Ų128.267%0.67177%0.769SS**  trans-69.384179.4-64.80000110.4S365 A369S365-S367 PolarHBondContact O-N 3.06Å; S367-A369 PolarHBondContact O-N 2.91Å
368A26.8Very low26.8Very low107 Ų107128.7 Ų128.788%0.88477%0.768SS**  trans-71.754.6167.700000111.1V366V366-A368 VanDerWaalsContact C-N 3.3Å; V366-A368 PolarHBondContact O-N 3.32Å
369A27.9Very low26.7Very low69 Ų69127.3 Ų127.357%0.5776%0.76SS**  trans-116.3103.7179.800000108.8S367 Y371S367-A369 PolarHBondContact O-N 2.91Å; A369-Y371 PolarHBondContact O-N 3.21Å
370G27.1Very low26.7Very low77 Ų77130.8 Ų130.879%0.79476%0.764SS**  trans-65.3125.2172.700000110.5A372G370-A372 PolarHBondContact O-N 3.42Å
371Y28.4Very low26.4Very low234 Ų234130.1 Ų130.192%0.91876%0.759SS**  trans-70.689.6179.7-77.5-94000111.6A369 S373A369-Y371 PolarHBondContact O-N 3.21Å; Y371-S373 PolarHBondContact O-N 3.03Å
372A29.4Very low26.5Very low98 Ų98133.9 Ų133.981%0.8176%0.763SS**  trans-73.4112.515900000108.8G370G370-A372 PolarHBondContact O-N 3.42Å
373S26.9Very low26.9Very low114 Ų114131.3 Ų131.380%0.79776%0.763SS**  trans-67.2139-176.7-165.20000111.5Y371Y371-S373 PolarHBondContact O-N 3.03Å
374P26.7Very low27.1Very low111 Ų111130.2 Ų130.272%0.72176%0.76SS**  trans-75.2131-170.929.6-35.5000112.8
375N28.5Very low27.2Very low138 Ų138132 Ų13274%0.73877%0.771SS**  trans-158117.2157.5-108.7-57.1000111.7
376K26.1Very low27.5Very low182 Ų182133.1 Ų133.179%0.79178%0.779SS**  trans47.9106.7156.4-53.2177.5-1741800118
377F26.1Very low27.4Very low204 Ų204133.4 Ų133.490%0.89578%0.784SS**  -155159.399.4-128.5-95.6000111.7
378S26.2Very low27.5Very low84 Ų84135.8 Ų135.859%0.58780%0.795SS**  trans-91.4169.8178.8-52.10000111.8
379D25Very low27.5Very low144 Ų144136 Ų13677%0.7779%0.79SS**  trans59.9113.2158.1-46.4-47.8000116.4
380L27.5Very low27.5Very low172 Ų172139.9 Ų139.990%0.90181%0.807SS**  -147.416468.3-114.678.8000112.7
381S24.5Very low27.4Very low102 Ų102142.7 Ų142.771%0.71381%0.809SS**  trans-142.2160.1170.272.30000112.3
382R25.7Very low27.4Very low232 Ų232137 Ų13788%0.87580%0.803SS**  trans74.5169.3179.3-56.4-176.1168.6-139.2-4.1116.1
383I32.9Very low27.4Very low176 Ų176136.3 Ų136.390%0.90380%0.797SS**  trans71.4124.6-170.8-45.8172.9000111.9
384G29.5Very low27.3Very low64 Ų64139.1 Ų139.166%0.6680%0.802SS**  cis154.6130.2-4.100000110.9
385N28.3Very low27.3Very low171 Ų171138.6 Ų138.691%0.91481%0.806SS**  trans-57.7139.6-172.7-55.3-7.4000113.5
386S30.3Very low27.1Very low121 Ų121143.3 Ų143.385%0.84681%0.814SS**  trans-153150.3143.2-166.70000110.2
387C25.7Very low27.2Very low105 Ų105141.6 Ų141.671%0.70981%0.813SS**  trans-116.3163.7-175.7-55.20000110.3
388T28.8Very low27.2Very low147 Ų147140.6 Ų140.690%0.90281%0.811SS**  179.6162.6118.926.70000110.9
389S26Very low27.3Very low111 Ų111147.9 Ų147.978%0.77683%0.826SS**  trans-120.8155.2-173.2-51.10000111.1
390T29.1Very low27.4Very low150 Ų150145.3 Ų145.392%0.9282%0.819SS**  trans-144.8135.6160.7-5.10000110.6
391T24.8Very low27.4Very low137 Ų137145.5 Ų145.584%0.8482%0.818SS**  trans-120.1126.3-171.4-490000110.3
392S28.2Very low27.5Very low114 Ų114146.8 Ų146.880%0.79782%0.816SS**  trans-171.5159.8158.449.70000114.7
393A28.6Very low27.7Very low83 Ų83142.1 Ų142.169%0.68681%0.809SS**  trans59.196150.500000120.9
394I24.3Very low27.5Very low174 Ų174139.1 Ų139.189%0.89279%0.794SS**  33.9102.3112.8-50.6161.2000116.7
395A26.8Very low27.3Very low99 Ų99142.4 Ų142.482%0.81880%0.797SS**  trans-154.6156.514200000110.3
396R24.8Very low27.2Very low237 Ų237140.3 Ų140.389%0.89479%0.785SS**  trans-88.7136.8166.9-56.2170.7-174.381.71.2107.3
397D27.4Very low27Very low146 Ų146141.3 Ų141.378%0.78178%0.781SS**  trans-161154.3145.3-125.6-24.7000113.6
398H26.2Very low27Very low184 Ų184142.2 Ų142.285%0.85278%0.783SS**  trans-80.1127175.3-70-112.1000110.1
399R28.7Very low26.8Very low236 Ų236141.5 Ų141.589%0.89178%0.778SS**  trans-137.3147.6168-70.8-163.5174.9-144.2-3.7112.9
400S28Very low26.7Very low91 Ų91141.5 Ų141.564%0.63678%0.778SS**  trans-72.5157.4-171.2-167.80000113.6D402S400-D402 VanDerWaalsContact C-N 3.31Å; S400-D402 WeakPolarHBondContact CB-OD2 3.45Å; S400-D402 PolarHBondContact O-N 3.47Å; S400-D402 PolarHBondContact OG-OD2 2.92Å
401M26.9Very low26.5Very low175 Ų175139.8 Ų139.886%0.86277%0.772SS**  trans-93.638.7173.1-86.9-162.368.100112.9N403M401-N403 PolarHBondContact O-N 3.25Å
402D27Very low26.6Very low129 Ų129138.7 Ų138.769%0.6977%0.767SS**  trans-76.383.7174.3-65-58.4000111S400S400-D402 VanDerWaalsContact C-N 3.31Å; S400-D402 WeakPolarHBondContact CB-OD2 3.45Å; S400-D402 PolarHBondContact O-N 3.47Å; S400-D402 PolarHBondContact OG-OD2 2.92Å
403N29.5Very low26.5Very low135 Ų135140.1 Ų140.172%0.72277%0.771SS**  trans-152.730.2172.6-111.3-46.3000114.9M401 N405M401-N403 PolarHBondContact O-N 3.25Å; N403-N405 PolarHBondContact O-N 2.8Å
404L27.8Very low26.5Very low112 Ų112140.4 Ų140.459%0.58677%0.773SS**  trans-95.370.2164.1-72.5177.4000110.3L406L404-L406 VanDerWaalsContact C-N 3.3Å; L404-L406 PolarHBondContact O-N 3.36Å
405N26.8Very low26.4Very low134 Ų134139.7 Ų139.772%0.71777%0.771SS**  trans-6884.9174.5-86.1-28.7000111.7N403N403-N405 PolarHBondContact O-N 2.8Å
406L26.2Very low26.4Very low127 Ų127144.3 Ų144.367%0.66578%0.778SS**  trans-95.5102.6154.8-73.4171.9000107.3V246 L404 V408V246-L406 HydrophobicContact CG1-CD1 4.36Å; L404-L406 VanDerWaalsContact C-N 3.3Å; L404-L406 PolarHBondContact O-N 3.36Å; L406-V408 VanDerWaalsContact C-N 3.33Å; L406-V408 PolarHBondContact O-N 3.19Å
407N24.6Very low26.3Very low141 Ų141142.3 Ų142.375%0.75478%0.776SS**  trans-69.884.1-175.4-74.60.5000112.1V409N407-V409 PolarHBondContact O-N 3.32Å
408V27.3Very low26.2Very low125 Ų125140.1 Ų140.176%0.75878%0.778SS**  trans-77.1103.1164.6-179.20000108.1L406 S410L406-V408 VanDerWaalsContact C-N 3.33Å; L406-V408 PolarHBondContact O-N 3.19Å; V408-S410 PolarHBondContact O-N 2.8Å; V408-S410 VanDerWaalsContact O-N 3.12Å
409V24.8Very low26.1Very low132 Ų132137 Ų13780%0.877%0.773SS**  trans-72104175.3179.70000109.3N407N407-V409 PolarHBondContact O-N 3.32Å
410S24Very low25.9Very low111 Ų111134.1 Ų134.178%0.77677%0.774SS**  trans-71.6144.9171.8-60.50000111.7V408V408-S410 PolarHBondContact O-N 2.8Å; V408-S410 VanDerWaalsContact O-N 3.12Å
411S24Very low25.9Very low114 Ų114138.4 Ų138.480%0.79778%0.784SS**  trans-137.8138.6163.7-159.30000108.6
412P26.7Very low25.6Very low114 Ų114134.6 Ų134.674%0.7477%0.774SS**  trans-96.3-166-163.538.4-37.2000114.2
413V25.1Very low25.7Very low143 Ų143133.5 Ų133.587%0.86777%0.774SS**  trans86.7129.7174.9-172.30000113.5
414A29Very low25.6Very low90 Ų90133.3 Ų133.374%0.74478%0.777SS**  cis-138.61626.800000113.3
415D22.6Very low25.6Very low159 Ų159139 Ų13985%0.8579%0.791SS**  trans-64.7137.7168.4-84.8-71.9000113.1
416M26.6Very low25.8Very low196 Ų196138 Ų13897%0.96679%0.792SS**  trans-145.8117.5146.6-112.3-176.6-178.200110.7
417K22.1Very low25.9Very low194 Ų194136.1 Ų136.184%0.84380%0.795SS**  trans-95.5112.4-167.4178.4-178.8179.2178.10111.6
418A26.7Very low26.3Very low100 Ų100139.1 Ų139.183%0.82680%0.801SS**  trans-127.8132167.900000109.9
419T22.9Very low26.4Very low120 Ų120138.9 Ų138.974%0.73680%0.796SS**  trans-112.7126.4-170.2-49.20000110.3
420L25.3Very low26.9Very low175 Ų175139.4 Ų139.492%0.91679%0.794SS**  trans-157.2141.9158.6-113152.8000113.5
421H27.2Very low27.4Very low181 Ų181140.3 Ų140.384%0.83880%0.795SS**  trans-49149.3-166.6-113.6-89000118.9
422S22Very low27.8Very low94 Ų94139.6 Ų139.666%0.65779%0.79SS**  trans-106.8147.9150.6176.80000110
423P28Very low28.1Very low107 Ų107143.3 Ų143.370%0.69580%0.795SS**  trans-98.4114.3172.134.3-28.2000112.5
424V27.7Very low28.6Very low130 Ų130142.6 Ų142.679%0.78879%0.786SS**  trans-88.6147.1170.4172.10000110.2
425W28.5Very low28.8Very low231 Ų231143.8 Ų143.888%0.87579%0.789SS**  trans-115.2146.2164.8-74.778.2000110.6
426P29.7Very low29.3Very low113 Ų113140 Ų14073%0.73479%0.788SS**  trans-95158.8-153.236.5-37.8000115.5
427A29.2Very low29.7Very low89 Ų89141.1 Ų141.174%0.73679%0.787SS**  trans-78.4176.1162.400000111.7
428K33Very low30.3Very low204 Ų204135.7 Ų135.789%0.88779%0.787SS**  trans-144.8137165.3-165.7168.5-175.4174.90110.5
429D29.5Very low30.5Very low120 Ų120136.5 Ų136.564%0.64279%0.786SS**  trans-107-172.4-153.4-36.6-92.4000114.4
430N34.1Very low31.1Very low142 Ų142139.1 Ų139.176%0.75980%0.795SS**  trans87.6139.7162.6-50.5-58.3000116.4
431T35.4Very low31.5Very low131 Ų131135.5 Ų135.580%0.80478%0.784SS**  cis-148.7174.44.1-7.90000113.2
432S31.8Very low32Very low98 Ų98131 Ų13169%0.68578%0.778SS**  trans-85-168.6-16654.80000117
433F34.1Very low32.6Very low192 Ų192133 Ų13384%0.84279%0.787SS**  trans85.1141.4162.6-105.1-109000118.3
434D34.4Very low32.8Very low128 Ų128136.5 Ų136.568%0.68479%0.793SS**  cis-159.8178.8-32-172.421.9000108.9
435S33.2Very low33.3Very low116 Ų116136.2 Ų136.281%0.81180%0.798SS**  trans-80.1135.1-169.7-52.30000114.5
436G34.6Very low33.6Very low79 Ų79136.4 Ų136.481%0.81480%0.8SS**  trans-141.5131.4171.500000112.5
437K34.1Very low33.8Very low219 Ų219136.9 Ų136.995%0.95281%0.805SS**  trans-95.8140.9177.8-64.4174.9-177.8171.80110.7
438G34.5Very low34Very low81 Ų81137.8 Ų137.884%0.83581%0.806SS**  trans-162.5113170.100000111.9
439S30.9Very low34.1Very low117 Ų117133.2 Ų133.282%0.81880%0.8SS**  trans-98.4151169-55.40000109.4
440L36Very low34.4Very low175 Ų175134.6 Ų134.692%0.91681%0.808SS**  -178.1172.7123.7-96.1166.8000112.1
441S33.3Very low34.4Very low99 Ų99132.6 Ų132.669%0.69281%0.805SS**  trans-102.4173.1-156.252.90000116.4
442A37.2Very low34.2Very low86 Ų86133.8 Ų133.871%0.71181%0.805SS**  trans79.4154.2156.300000116.6
443T35.8Very low34.2Very low137 Ų137136.7 Ų136.784%0.8481%0.813SS**  cis-148.1173.33.8-20.60000111.7
444E31.8Very low34Very low179 Ų179135.9 Ų135.984%0.83681%0.812SS**  trans-78.1158.5178.7-49.2171.4126.900114.2
445S37.8Very low34.1Very low125 Ų125138.3 Ų138.387%0.87482%0.819SS**  trans-170.7158.8144.1-87.50000114
446Y35.8Very low33.9Very low235 Ų235139.9 Ų139.992%0.92281%0.813SS**  trans-95.4154.6-177.5-80.5-123.7000112.7
447S34.3Very low33.9Very low122 Ų122143 Ų14385%0.85381%0.81SS**  171.7171.9104.9-1580000112.9
448S32.5Very low33.6Very low108 Ų108140 Ų14076%0.75580%0.799SS**  trans-109.2160.6-178.2-49.90000112.4
449S35.7Very low33.5Very low108 Ų108143.9 Ų143.976%0.75580%0.795SS**  176.7141.2125.5-91.40000114.6
450D34.7Very low33.5Very low149 Ų149146.7 Ų146.780%0.79779%0.793SS**  trans1.1154.4134.1-54.7-47.6000119.5
451S34.4Very low33.1Very low100 Ų100146.2 Ų146.270%0.69979%0.786SS**  cis-171.5160.7734.10000113.8
452L31.6Very low33Very low156 Ų156148.1 Ų148.182%0.81779%0.794SS**  trans39.8122.5144.6-60.3171.4000122.3
453N32.3Very low32.7Very low160 Ų160153 Ų15386%0.85680%0.799SS**  -178.4162.6106.1-102.21.3000113.8
454E28.4Very low32.4Very low175 Ų175152.5 Ų152.582%0.81880%0.801SS**  trans-103.5161.2173.3-6217594.800111.7
455H37.7Very low32.3Very low179 Ų179148.8 Ų148.883%0.82980%0.801SS**  trans172.3109.7131.7-92.9-63.8000114.4
456H29.5Very low31.8Very low148 Ų148147.2 Ų147.269%0.68580%0.795SS**  61.7161.3120.8-122.6-88.6000125
457I33.3Very low31.5Very low146 Ų146142.1 Ų142.175%0.74979%0.789SS**  trans81114.5172.4-55.7156.1000112.2
458E28Very low31.1Very low156 Ų156145.1 Ų145.173%0.72979%0.787SS**  70.1142.855.6-62.1175.3143.900112.1
459E32.3Very low31Very low161 Ų161145.5 Ų145.575%0.75279%0.789SS**  cis-161.1172.520.4-145.1-174.7167.700112.2
460F32.2Very low30.8Very low177 Ų177147.5 Ų147.578%0.77679%0.786SS**  trans70.4144.7157.2-97.5-80.4000125.9
461E26.3Very low30.6Very low164 Ų164149.6 Ų149.677%0.76679%0.789SS**  trans-102.4161.5174.9-44.3171.310400113.1
462T32.1Very low30.3Very low139 Ų139149.9 Ų149.985%0.85379%0.788SS**  trans-163.7122.41343.70000117.1
463K30.9Very low30Very low190 Ų190149.9 Ų149.983%0.82679%0.788SS**  trans-12.4135.7157.1-57.5159.2-175.8168.30119.5
464S29.3Very low29.8Very low126 Ų126150.4 Ų150.488%0.88179%0.789SS**  -178161.5109.3-80.10000114.8
465A28.4Very low29.6Very low101 Ų101150.2 Ų150.284%0.83579%0.792SS**  trans-107.9170.1-179.300000110.5
466A28Very low29Very low91 Ų91146.7 Ų146.775%0.75279%0.788SS**  cis-167.5-162.6-6.800000109
467V29.9Very low28.9Very low128 Ų128145 Ų14578%0.77679%0.793SS**  trans110.7104.5157.9-177.90000117.9
468F26Very low28.6Very low185 Ų185143.3 Ų143.381%0.81179%0.794SS**  trans28.2123.4145.5-68.9-98.9000122.4
469S29.8Very low28.6Very low116 Ų116142.8 Ų142.881%0.81180%0.796SS**  -162.3175.3109.3-159.50000112.6
470H31.3Very low28.4Very low150 Ų150141.9 Ų141.969%0.69480%0.796SS**  trans-95.6157.3-155.3-63-90.2000118.2
471K30.6Very low28.3Very low194 Ų194141.6 Ų141.684%0.84380%0.797SS**  trans83153.8142.1-86.7176.3178.8-179.40118.9
472P27.9Very low28.6Very low105 Ų105138.7 Ų138.768%0.68280%0.795SS**  -143.7-176.4-118.145.4-26.6000117.8
473L25Very low28.5Very low157 Ų157139.7 Ų139.782%0.82280%0.795SS**  trans69121.5161.5-60.9179.5000119.2
474I29.6Very low28.5Very low171 Ų171137.7 Ų137.788%0.87779%0.793SS**  trans-162.7153.9131.6-98.8151.2000107.9
475L22.7Very low28.8Very low170 Ų170136.4 Ų136.489%0.8978%0.779SS**  trans-103.2132.6-175.7-68.3165000112.1
476S26.6Very low28.9Very low106 Ų106139.3 Ų139.374%0.74178%0.78SS**  trans-164.8117.5153.758.10000114.9
477S26.8Very low29.3Very low111 Ų111140.3 Ų140.378%0.77678%0.782SS**  trans55117.8138.765.30000123.3
478S26Very low29.9Very low111 Ų111140.7 Ų140.778%0.77678%0.775SS**  94.2164.4128.9-1440000121
479L29.7Very low30.4Very low146 Ų146139.6 Ų139.676%0.76477%0.772SS**  trans69.198.5175.1-88.563.7000119.5
480N27.5Very low30.9Very low141 Ų141140 Ų14075%0.75476%0.763SS**  52.9129113.9-75.6-7.8000123.1
481Q30.6Very low31.5Very low171 Ų171137.4 Ų137.480%0.79976%0.759SS**  trans88.1141.9142.8-70.2176.512.800121.4
482S32Very low32Very low104 Ų104133.7 Ų133.773%0.72775%0.753SS**  trans61118.116147.80000121.1
483N29.1Very low32.3Very low159 Ų159133 Ų13385%0.8574%0.743SS**  trans37.2108.1135.6-55.6-17.8000119.5
484L32.2Very low33.1Very low149 Ų149132.7 Ų132.778%0.7874%0.735SS**  trans-153.8165.6140.2-110167.2000110.3
485T35.5Very low33.8Very low98 Ų98131.7 Ų131.760%0.60173%0.727SS**  trans-89.4153.8-165.4630000113.8S487T485-S487 PolarHBondContact O-N 3.02Å
486L30Very low34.4Very low163 Ų163127.1 Ų127.185%0.85371%0.713SS**G310 helixtrans-60.6-10.9-176.8-149.778.4000114.7E488L486-E488 VanDerWaalsContact C-N 3.26Å; L486-E488 PolarHBondContact O-N 3.13Å
487S37.2Very low35.1Very low112 Ų112128.6 Ų128.678%0.78371%0.712SS**G310 helixtrans-67.6-15.9-175.8-172.60000115T485T485-S487 PolarHBondContact O-N 3.02Å
488E40.8Very low35.8Very low135 Ų135130.5 Ų130.563%0.63171%0.709SS**G310 helixtrans-100.4-11.2-172.1-68.6-173.6108.200114.6L486 M490L486-E488 VanDerWaalsContact C-N 3.26Å; L486-E488 PolarHBondContact O-N 3.13Å; E488-M490 PolarHBondContact O-N 3.4Å
489Q37.6Very low36.2Very low163 Ų163130.7 Ų130.776%0.76271%0.705SS**SBendtrans-88-1.6-166.9-65.5-132-28.700116.5
490M39.2Very low36.4Very low125 Ų125129 Ų12962%0.61670%0.703SS**  trans-133.561.8-179.3-62-168.982.800114.5E488 T492 L493E488-M490 PolarHBondContact O-N 3.4Å; M490-T492 VanDerWaalsContact C-N 3.27Å; M490-T492 PolarHBondContact O-N 2.87Å; M490-L493 HydrophobicContact CB-CB 4.02Å; M490-L493 HydrophobicContact CE-CB 4.31Å; M490-L493 HydrophobicContact CE-CD1 4.35Å; M490-L493 HydrophobicContact CE-CD2 4.34Å; M490-L493 PolarHBondContact O-N 2.89Å; M490-L493 HydrophobicContact SD-CD2 4.33Å
491P44.9Very low36.7Very low95 Ų95128 Ų12862%0.61771%0.705SS**Hα-helixtrans-58.6-36.8176.624.5-33.9000112.9L493 K494 Q495P491-L493 VanDerWaalsContact C-N 3.33Å; P491-L493 PolarHBondContact O-N 2.78Å; P491-K494 PolarHBondContact O-N 2.91Å; P491-Q495 PolarHBondContact O-N 3.34Å
492T41.8Very low36.8Very low115 Ų115128.2 Ų128.271%0.70671%0.71SS**Hα-helixtrans-64-34.8-179.4-23.30000113M490 Q495 A496M490-T492 VanDerWaalsContact C-N 3.27Å; M490-T492 PolarHBondContact O-N 2.87Å; T492-Q495 PolarHBondContact O-N 2.8Å; T492-A496 PolarHBondContact O-N 3.1Å
493L33.7Very low36.7Very low91 Ų91130.7 Ų130.748%0.47671%0.714SS.*Hα-helixtrans-69.8-36.6179.3-162.380.3000111.2M490 P491 Q495 A496 L497M490-L493 HydrophobicContact CB-CB 4.02Å; M490-L493 HydrophobicContact CE-CB 4.31Å; M490-L493 HydrophobicContact CE-CD1 4.35Å; M490-L493 HydrophobicContact CE-CD2 4.34Å; M490-L493 PolarHBondContact O-N 2.89Å; M490-L493 HydrophobicContact SD-CD2 4.33Å; P491-L493 VanDerWaalsContact C-N 3.33Å; P491-L493 PolarHBondContact O-N 2.78Å; L493-Q495 VanDerWaalsContact C-N 3.28Å; L493-Q495 PolarHBondContact O-N 3.19Å; L493-A496 PolarHBondContact O-N 3.32Å; L493-L497 HydrophobicContact CD2-CD1 4.43Å; L493-L497 HydrophobicContact CG-CD1 4.21Å; L493-L497 WeakPolarHBondContact O-CG 3.35Å; L493-L497 PolarHBondContact O-N 3.33Å
494K41Very low36.5Very low150 Ų150127.8 Ų127.865%0.65271%0.706SS**Hα-helixtrans-64-33.1179-165.9171.6-177.8175.60112.3P491 Q498P491-K494 PolarHBondContact O-N 2.91Å; K494-Q498 WeakPolarHBondContact O-CG 3.39Å
495Q45.6Very low36.3Very low151 Ų151127.2 Ų127.271%0.70670%0.702SS**Hα-helixtrans-77.8-35.4175.9-167.2168.65.400112.6P491 T492 L493 L497 Q498P491-Q495 PolarHBondContact O-N 3.34Å; T492-Q495 PolarHBondContact O-N 2.8Å; L493-Q495 VanDerWaalsContact C-N 3.28Å; L493-Q495 PolarHBondContact O-N 3.19Å; Q495-L497 PolarHBondContact O-N 2.99Å; Q495-Q498 PolarHBondContact O-N 2.98Å
496A35.2Very low35.9Very low73 Ų73130.8 Ų130.860%0.60371%0.712SS**Hα-helixtrans-66-23.3175.600000113.7T492 L493T492-A496 PolarHBondContact O-N 3.1Å; L493-A496 PolarHBondContact O-N 3.32Å
497L40.6Very low35.9Very low138 Ų138129 Ų12972%0.72371%0.708SS**THydrogen-bonded Turntrans-91.56-178.7-71.1168.6000114.5L493 Q495L493-L497 HydrophobicContact CD2-CD1 4.43Å; L493-L497 HydrophobicContact CG-CD1 4.21Å; L493-L497 WeakPolarHBondContact O-CG 3.35Å; L493-L497 PolarHBondContact O-N 3.33Å; Q495-L497 PolarHBondContact O-N 2.99Å
498Q41.5Very low35.5Very low150 Ų150131.8 Ų131.870%0.70171%0.708SS**SBendtrans-115.52.1-173.1-73.4-169.7-45.500116K494 Q495K494-Q498 WeakPolarHBondContact O-CG 3.39Å; Q495-Q498 PolarHBondContact O-N 2.98Å
499T34.4Very low35Very low115 Ų115131.2 Ų131.271%0.70671%0.705SS**PPolyproline II helixtrans-100.9116.8175.746.80000112.2
500P33.9Very low34.6Very low112 Ų112131.2 Ų131.273%0.72770%0.703SS**PPolyproline II helixtrans-68.1148.7171.1-15.930.4000111.8
501P35.1Very low34.1Very low120 Ų120132.5 Ų132.578%0.77972%0.718SS**PPolyproline II helixtrans-77.3138.1178.131.5-34.2000112
502L31.5Very low33.2Very low175 Ų175133.4 Ų133.492%0.91673%0.727SS**  trans-117.9138.2166.2-68.6177.8000109.7
503I30Very low32.5Very low156 Ų156138.7 Ų138.780%0.874%0.735SS**  trans-122.4125.4-176.7-62.6171.3000108.5
504S25.4Very low32.3Very low98 Ų98140.1 Ų140.169%0.68575%0.752SS**  trans178.3127.6134.8-86.10000115.6
505I28Very low31.8Very low137 Ų137135.6 Ų135.670%0.70374%0.742SS**  trans70.8110.3130-59.8170.3000119.9
506Q25.8Very low31Very low172 Ų172136.4 Ų136.480%0.80475%0.746SS**  trans41.6131.3135.5-52.4173.8-27.200119.6
507T30.8Very low30.8Very low126 Ų126140.5 Ų140.577%0.77375%0.753SS**  -167.4136.767.532.60000115.6
508H27.9Very low30.3Very low171 Ų171141 Ų14179%0.79275%0.751SS**  trans58.6148.6138.2-108.8-94.1000126.1
509E30.2Very low29.6Very low122 Ų122141.6 Ų141.657%0.5775%0.747SS**  trans87.291.5155.7-60.7-78.597.100122
510K30.5Very low29.4Very low164 Ų164139.1 Ų139.171%0.71374%0.738SS**  58.9109.1127.9-62.2172.9179.3120.50121.7
511T29.4Very low29.3Very low151 Ų151139.1 Ų139.193%0.92673%0.731SS**  -137149.6111.742.60000109.7
512S25.4Very low29.4Very low114 Ų114136.5 Ų136.580%0.79771%0.713SS**  trans-105.7126.7-172.7178.90000111.9
513Y26.4Very low29.9Very low227 Ų227131.7 Ų131.789%0.8969%0.688SS**  trans-166.7160144.3-114.5-80.4000109.1
514C29.6Very low30.4Very low121 Ų121127.7 Ų127.782%0.81867%0.669SS**  trans60.384.2-177.5-660000116.3
515A31.2Very low31.1Very low55 Ų55131.9 Ų131.946%0.45567%0.669SS.*  trans-141.317.2171.700000114.4R519A515-R519 PolarHBondContact O-NH1 3.35Å
516E28.8Very low31.9Very low168 Ų168130.2 Ų130.279%0.78566%0.662SS**SBendtrans-109-37.4-175.9-65.2-174.4122.100113.1E518 R519 A520E516-E518 PolarHBondContact O-N 3.1Å; E516-R519 WeakPolarHBondContact O-CB 3.35Å; E516-R519 PolarHBondContact O-N 3.46Å; E516-R519 VanDerWaalsContact O-N 3.09Å; E516-A520 PolarHBondContact O-N 3.04Å; E516-A520 VanDerWaalsContact O-N 3.09Å
517E31.1Very low32.6Very low159 Ų159129.3 Ų129.374%0.74365%0.651SS**Hα-helixtrans-62.8-40.3-179.6-168.6166.2-154.200112.3R519 A520 L521E517-R519 VanDerWaalsContact C-N 3.32Å; E517-R519 PolarHBondContact O-N 3.2Å; E517-A520 WeakPolarHBondContact O-CB 3.34Å; E517-A520 PolarHBondContact O-N 3.46Å; E517-A520 VanDerWaalsContact O-N 3.16Å; E517-L521 PolarHBondContact O-N 2.66Å; E517-L521 VanDerWaalsContact O-N 3.14Å
518E28.7Very low33.2Very low149 Ų149126.4 Ų126.470%0.69663%0.628SS**Hα-helixtrans-64-35.1173.8-167.5174.3-155.600112.2E516 A520 L521 T522E516-E518 PolarHBondContact O-N 3.1Å; E518-A520 VanDerWaalsContact C-N 3.34Å; E518-A520 PolarHBondContact O-N 3.49Å; E518-L521 PolarHBondContact O-N 3.31Å; E518-T522 PolarHBondContact O-N 2.88Å
519R27.8Very low34Very low162 Ų162120.8 Ų120.861%0.61161%0.612SS**Hα-helixtrans-69-29.4174-77.5-174.9171.590.1-4.6113.1A515 E516 E517 T522 N523A515-R519 PolarHBondContact O-NH1 3.35Å; E516-R519 WeakPolarHBondContact O-CB 3.35Å; E516-R519 PolarHBondContact O-N 3.46Å; E516-R519 VanDerWaalsContact O-N 3.09Å; E517-R519 VanDerWaalsContact C-N 3.32Å; E517-R519 PolarHBondContact O-N 3.2Å; R519-T522 PolarHBondContact O-OG1 3.33Å; R519-T522 VanDerWaalsContact O-OG1 3.12Å; R519-N523 WeakPolarHBondContact O-CB 3.35Å; R519-N523 PolarHBondContact O-N 3.04Å; R519-N523 PolarHBondContact O-ND2 3.19Å
520A30.7Very low34.4Very low63 Ų63118.5 Ų118.552%0.52161%0.608SS.*Hα-helixtrans-69-41172.800000110.6E516 E517 E518 N523 L524E516-A520 PolarHBondContact O-N 3.04Å; E516-A520 VanDerWaalsContact O-N 3.09Å; E517-A520 WeakPolarHBondContact O-CB 3.34Å; E517-A520 PolarHBondContact O-N 3.46Å; E517-A520 VanDerWaalsContact O-N 3.16Å; E518-A520 VanDerWaalsContact C-N 3.34Å; E518-A520 PolarHBondContact O-N 3.49Å; A520-N523 PolarHBondContact O-N 3.37Å; A520-L524 WeakPolarHBondContact O-CB 3.01Å; A520-L524 PolarHBondContact O-N 3.08Å
521L31.4Very low34.8Very low111 Ų111115.1 Ų115.158%0.58160%0.598SS**Hα-helixtrans-68-39.9177.5-71.4167.3000113.1E517 E518 L524 R525E517-L521 PolarHBondContact O-N 2.66Å; E517-L521 VanDerWaalsContact O-N 3.14Å; E518-L521 PolarHBondContact O-N 3.31Å; L521-L524 PolarHBondContact O-N 2.93Å; L521-R525 WeakPolarHBondContact O-CB 3.01Å; L521-R525 PolarHBondContact O-N 3.46Å
522T36.8Very low35.3Very low65 Ų65110.1 Ų110.140%0.39957%0.572SS.*Hα-helixtrans-63.4-49172.556.90000111.3E518 R519 L524 R525 D526E518-T522 PolarHBondContact O-N 2.88Å; R519-T522 PolarHBondContact O-OG1 3.33Å; R519-T522 VanDerWaalsContact O-OG1 3.12Å; T522-L524 PolarHBondContact O-N 3.5Å; T522-R525 WeakPolarHBondContact O-CA 3.27Å; T522-R525 WeakPolarHBondContact O-CB 3.35Å; T522-R525 PolarHBondContact O-N 2.86Å; T522-D526 VanDerWaalsContact O-CG 3.26Å; T522-D526 PolarHBondContact O-N 3.38Å
523N41.6Very low36Very low74 Ų74107.1 Ų107.140%0.39655%0.551SS.*Hα-helixtrans-53.7-40.4174.3-92.5-91.5000112.6R519 A520 R527R519-N523 WeakPolarHBondContact O-CB 3.35Å; R519-N523 PolarHBondContact O-N 3.04Å; R519-N523 PolarHBondContact O-ND2 3.19Å; A520-N523 PolarHBondContact O-N 3.37Å; N523-R527 WeakPolarHBondContact O-CB 3.08Å; N523-R527 VanDerWaalsContact O-CD 3.31Å; N523-R527 WeakPolarHBondContact O-CD 3.15Å; N523-R527 WeakPolarHBondContact O-CG 3.31Å; N523-R527 PolarHBondContact O-N 3.49Å
524L40.1Very low36.6Very low73 Ų73102.3 Ų102.338%0.38254%0.54SS..Hα-helixtrans-68.1-39.3177.5-170.464.5000111.5A520 L521 T522 R527 H528A520-L524 WeakPolarHBondContact O-CB 3.01Å; A520-L524 PolarHBondContact O-N 3.08Å; L521-L524 PolarHBondContact O-N 2.93Å; T522-L524 PolarHBondContact O-N 3.5Å; L524-R527 PolarHBondContact O-N 3.1Å; L524-H528 PolarHBondContact O-N 3.08Å; L524-H528 PolarHBondContact O-ND1 3.04Å
525R40.2Very low37Very low185 Ų185101.8 Ų101.870%0.69853%0.528SS*.Hα-helixtrans-65.9-44.5176.8-155.5175.4-163.9162.95.7111.5L521 T522 R527 H528 A529L521-R525 WeakPolarHBondContact O-CB 3.01Å; L521-R525 PolarHBondContact O-N 3.46Å; T522-R525 WeakPolarHBondContact O-CA 3.27Å; T522-R525 WeakPolarHBondContact O-CB 3.35Å; T522-R525 PolarHBondContact O-N 2.86Å; R525-R527 PolarHBondContact O-N 2.96Å; R525-H528 PolarHBondContact O-N 3.48Å; R525-A529 WeakPolarHBondContact O-CB 3.33Å; R525-A529 PolarHBondContact O-N 3.13Å
526D45.1Very low37.4Very low102 Ų102105.7 Ų105.755%0.54554%0.537SS..Hα-helixtrans-65.1-38.4177-62.4-30.7000111.7T522 A529 C530T522-D526 VanDerWaalsContact O-CG 3.26Å; T522-D526 PolarHBondContact O-N 3.38Å; D526-A529 PolarHBondContact O-N 3.38Å; D526-C530 VanDerWaalsContact O-CB 3.27Å; D526-C530 WeakPolarHBondContact O-CB 3.27Å; D526-C530 PolarHBondContact O-N 3.29Å
527R41.1Very low37.5Very low153 Ų153105.2 Ų105.258%0.57753%0.533SS*.Hα-helixtrans-65.3-40.4173.5-73.5166.1-165-170.95.6112.4N523 L524 R525 C530 L531N523-R527 WeakPolarHBondContact O-CB 3.08Å; N523-R527 VanDerWaalsContact O-CD 3.31Å; N523-R527 WeakPolarHBondContact O-CD 3.15Å; N523-R527 WeakPolarHBondContact O-CG 3.31Å; N523-R527 PolarHBondContact O-N 3.49Å; L524-R527 PolarHBondContact O-N 3.1Å; R525-R527 PolarHBondContact O-N 2.96Å; R527-C530 PolarHBondContact O-N 3.46Å; R527-L531 PolarHBondContact O-N 2.95Å
528H43.1Very low37.5Very low65 Ų65105.6 Ų105.630%0.30153%0.534SS..Hα-helixtrans-66.5-41.4173.1-76.191.5000111.6L524 R525 C530 L531 A532L524-H528 PolarHBondContact O-N 3.08Å; L524-H528 PolarHBondContact O-ND1 3.04Å; R525-H528 PolarHBondContact O-N 3.48Å; H528-C530 VanDerWaalsContact C-N 3.32Å; H528-C530 PolarHBondContact O-N 3.44Å; H528-L531 PolarHBondContact O-N 2.94Å; H528-A532 VanDerWaalsContact O-CB 3.3Å; H528-A532 WeakPolarHBondContact O-CB 3.21Å; H528-A532 PolarHBondContact O-N 3.02Å
529A44.4Very low37.6Very low54 Ų54103.6 Ų103.645%0.44653%0.534SS..Hα-helixtrans-64.7-34.8175.600000112.7R525 D526 S533R525-A529 WeakPolarHBondContact O-CB 3.33Å; R525-A529 PolarHBondContact O-N 3.13Å; D526-A529 PolarHBondContact O-N 3.38Å; A529-S533 VanDerWaalsContact O-CB 3.29Å; A529-S533 WeakPolarHBondContact O-CB 3.02Å; A529-S533 PolarHBondContact O-N 2.8Å; A529-S533 PolarHBondContact O-OG 2.88Å
530C39.8Very low37.5Very low73 Ų73101.2 Ų101.249%0.49354%0.538SS..Hα-helixtrans-68.1-45.7173.5-173.60000111.9D526 R527 H528 S533 L534D526-C530 VanDerWaalsContact O-CB 3.27Å; D526-C530 WeakPolarHBondContact O-CB 3.27Å; D526-C530 PolarHBondContact O-N 3.29Å; R527-C530 PolarHBondContact O-N 3.46Å; H528-C530 VanDerWaalsContact C-N 3.32Å; H528-C530 PolarHBondContact O-N 3.44Å; C530-S533 PolarHBondContact O-N 2.04Å; C530-L534 WeakPolarHBondContact O-CB 3.01Å; C530-L534 PolarHBondContact O-N 3.35Å
531L38.4Very low37.2Very low93 Ų93105.8 Ų105.849%0.48755%0.548SS..Hα-helixtrans-65.5-40.5175-91.7166.2000112.5R527 H528 L534 L535R527-L531 PolarHBondContact O-N 2.95Å; H528-L531 PolarHBondContact O-N 2.94Å; L531-L534 PolarHBondContact O-N 3.37Å; L531-L535 WeakPolarHBondContact O-CG 3.5Å; L531-L535 PolarHBondContact O-N 3.4Å; L531-L535 VanDerWaalsContact O-N 3.1Å
532A39.7Very low37Very low47 Ų47108.4 Ų108.439%0.38856%0.562SS.*Hα-helixtrans-59.4-50.5171.600000110.5H528 L534 L535 E536H528-A532 VanDerWaalsContact O-CB 3.3Å; H528-A532 WeakPolarHBondContact O-CB 3.21Å; H528-A532 PolarHBondContact O-N 3.02Å; A532-L534 PolarHBondContact O-N 3.37Å; A532-L535 CarbonylContact O-C 3.56Å; A532-L535 PolarHBondContact O-N 2.75Å; A532-E536 WeakPolarHBondContact O-CB 3.19Å; A532-E536 PolarHBondContact O-N 3.27Å
533S40.4Very low36.3Very low51 Ų51115.4 Ų115.436%0.35759%0.587SS.*Hα-helixtrans-57.3-33.1175.1-66.50000113.4A529 C530 K537A529-S533 VanDerWaalsContact O-CB 3.29Å; A529-S533 WeakPolarHBondContact O-CB 3.02Å; A529-S533 PolarHBondContact O-N 2.8Å; A529-S533 PolarHBondContact O-OG 2.88Å; C530-S533 PolarHBondContact O-N 2.04Å; S533-K537 WeakPolarHBondContact O-CB 3.48Å; S533-K537 VanDerWaalsContact O-CG 3.27Å; S533-K537 WeakPolarHBondContact O-CG 3.5Å; S533-K537 PolarHBondContact O-N 3.47Å
534L38.8Very low35.5Very low126 Ų126118.2 Ų118.266%0.6661%0.608SS**Hα-helixtrans-74.5-23.2176.5-100.4152.6000113.9C530 L531 A532C530-L534 WeakPolarHBondContact O-CB 3.01Å; C530-L534 PolarHBondContact O-N 3.35Å; L531-L534 PolarHBondContact O-N 3.37Å; A532-L534 PolarHBondContact O-N 3.37Å
535L37Very low34.8Very low109 Ų109120.9 Ų120.957%0.57163%0.627SS**Hα-helixtrans-94.8-28.1176.3-66.7168.6000112.3L531 A532 L589L531-L535 WeakPolarHBondContact O-CG 3.5Å; L531-L535 PolarHBondContact O-N 3.4Å; L531-L535 VanDerWaalsContact O-N 3.1Å; A532-L535 CarbonylContact O-C 3.56Å; A532-L535 PolarHBondContact O-N 2.75Å; L535-L589 HydrophobicContact CD2-CD2 3.88Å
536E39.9Very low34.3Very low137 Ų137116.6 Ų116.664%0.6463%0.631SS**Hα-helixtrans-95.9-30.3-173.4-166.8171-134.400112.7A532 Q538A532-E536 WeakPolarHBondContact O-CB 3.19Å; A532-E536 PolarHBondContact O-N 3.27Å; E536-Q538 PolarHBondContact O-N 2.96Å; E536-Q538 VanDerWaalsContact O-N 3.07Å
537K32.4Very low33.4Very low159 Ų159117.9 Ų117.969%0.69165%0.648SS**  trans-76.895.7172.5-69.6-174.5176-174.40111.5S533S533-K537 WeakPolarHBondContact O-CB 3.48Å; S533-K537 VanDerWaalsContact O-CG 3.27Å; S533-K537 WeakPolarHBondContact O-CG 3.5Å; S533-K537 PolarHBondContact O-N 3.47Å
538Q30.5Very low32.8Very low166 Ų166114 Ų11478%0.77666%0.656SS**  trans-60.6131.6157.3-60.3-167.311.300109.6E536 T540E536-Q538 PolarHBondContact O-N 2.96Å; E536-Q538 VanDerWaalsContact O-N 3.07Å; Q538-T540 PolarHBondContact O-N 3.29Å
539P30.5Very low32.3Very low107 Ų107117.5 Ų117.570%0.69568%0.676SS**  trans-79.587.3-178.531.3-34.7000111.4
540T25.1Very low31.6Very low112 Ų112120.6 Ų120.669%0.68769%0.686SS**  trans-83.9144.6154.1-380000108.3Q538Q538-T540 PolarHBondContact O-N 3.29Å
541E25.4Very low31.1Very low160 Ų160124.5 Ų124.575%0.74870%0.702SS**  trans61.471176.2-53.1-43.2118.800118.8
542L26.7Very low30.8Very low165 Ų165125 Ų12586%0.86471%0.713SS**  trans-142.564.8149.6-84.9-175000111.3
543F22.6Very low30.3Very low212 Ų212128 Ų12893%0.9373%0.731SS**  trans-132.557.1175.4-90.8-69.7000113.8
544T23.9Very low29.8Very low134 Ų134130.4 Ų130.482%0.82275%0.748SS**  trans-133.7146.8151.158.20000106.4
545T25.8Very low29.2Very low128 Ų128131.6 Ų131.679%0.78576%0.755SS**  cis-147.4171.731.548.40000113.4
546A29.3Very low28.7Very low95 Ų95132.4 Ų132.479%0.78576%0.764SS**  trans62.199.6148.500000119.5
547S25.9Very low28.1Very low130 Ų130132.3 Ų132.391%0.90977%0.768SS**  trans-75.5136.2140.4175.80000108.8
548G30.5Very low28Very low71 Ų71131.2 Ų131.273%0.73277%0.774SS**  trans173.4110.6177.400000112.8
549N31.9Very low27.7Very low138 Ų138126.7 Ų126.774%0.73877%0.773SS**  trans-80.3145.4177.6-94.461.6000112.5
550D29.4Very low27.5Very low120 Ų120130 Ų13064%0.64278%0.783SS**  trans42.6108.1142-43.1-32.6000119.1
551N29.9Very low27.7Very low155 Ų155129.5 Ų129.583%0.82978%0.782SS**  -176.9166.190.8-98.5-71.9000114.5
552S32.1Very low27.8Very low104 Ų104129.9 Ų129.973%0.72779%0.789SS**  trans72106.8165.865.30000120.2
553S29.1Very low27.6Very low109 Ų109129.4 Ų129.476%0.76279%0.787SS**  trans40.5120.5135.658.80000119.6
554S29.3Very low27.7Very low101 Ų101124.4 Ų124.471%0.70678%0.777SS**  cis174.9157.746.547.50000111.4
555N25.5Very low27.7Very low152 Ų152124 Ų12481%0.81378%0.78SS**  trans37.5118.7157.5-53.2-15000118.7
556V27.4Very low27.9Very low125 Ų125125 Ų12576%0.75878%0.78SS**  -173.6148.879.41520000110.9
557N26.9Very low28Very low136 Ų136125.3 Ų125.373%0.72777%0.774SS**  trans61.891.1164.1-67.4-6.1000121.3
558T30.7Very low28.5Very low135 Ų135123.5 Ų123.583%0.82876%0.761SS**  38.3107.8116.760.60000119.5
559G24.1Very low28.6Very low72 Ų72124.8 Ų124.874%0.74276%0.759SS**  trans-110.7174.814900000111.3
560L27Very low29.1Very low175 Ų175120.8 Ų120.892%0.91674%0.741SS**  trans-146.1147.4156.3-89-178.1000110
561P27.4Very low29.5Very low102 Ų102118.7 Ų118.766%0.66274%0.741SS**  trans-102.4167.8-173.540.1-35.2000113.5
562L29.1Very low29.9Very low169 Ų169115.7 Ų115.789%0.88573%0.732SS**  trans-144.8108.2158.2-78.9-178.7000111
563D21.5Very low30.3Very low155 Ų155115.7 Ų115.783%0.82972%0.717SS**  trans-76.7136.2160.5-77-68.7000109.9
564C25.3Very low30.8Very low107 Ų107114.6 Ų114.672%0.72370%0.699SS**  trans-145.793.4169.5-93.80000111
565S24.4Very low31.5Very low125 Ų125116.1 Ų116.187%0.87470%0.695SS**  trans-78.2114.9172.837.70000110.8
566L29.7Very low32.2Very low150 Ų150111.2 Ų111.279%0.78567%0.666SS**  trans-124.5156.3-179.1-81.4165.2000110.8
567P30.4Very low33Very low101 Ų101106.5 Ų106.566%0.65664%0.64SS**  trans-77.1131.7-145.826.4-35.7000116S569P567-S569 PolarHBondContact O-N 3.08Å; P567-S569 VanDerWaalsContact O-N 3.07Å
568S36.2Very low33.9Very low91 Ų91109.1 Ų109.164%0.63664%0.64SS**THydrogen-bonded Turntrans-77.219.8-178.951.60000115.5Q574S568-Q574 PolarHBondContact O-NE2 3.26Å; S568-Q574 VanDerWaalsContact O-NE2 3.11Å
569S34.4Very low34.5Very low99 Ų99107.9 Ų107.969%0.69263%0.627SS**THydrogen-bonded Turntrans-93.7-7.9-168.355.20000115.6P567 A571P567-S569 PolarHBondContact O-N 3.08Å; P567-S569 VanDerWaalsContact O-N 3.07Å; S569-A571 PolarHBondContact O-N 3.06Å
570S40.4Very low35.4Very low54 Ų54107.4 Ų107.438%0.37860%0.603SS.*  trans-73.5121.2177.1173.80000111.5S572 Y573 Q574S570-S572 PolarHBondContact O-N 2.88Å; S570-S572 PolarHBondContact OG-N 2.82Å; S570-Y573 WeakPolarHBondContact O-CB 2.94Å; S570-Y573 PolarHBondContact O-N 3.46Å; S570-Y573 PolarHBondContact OG-N 2.83Å; S570-Q574 PolarHBondContact O-N 2.75Å
571A39Very low35.9Very low76 Ų76105.5 Ų105.563%0.62859%0.594SS**Hα-helixtrans-57.8-37.6173.700000111.8S569 Y573 Q574 Q575S569-A571 PolarHBondContact O-N 3.06Å; A571-Y573 VanDerWaalsContact C-N 3.34Å; A571-Y573 PolarHBondContact O-N 2.92Å; A571-Q574 PolarHBondContact O-N 2.57Å; A571-Q575 WeakPolarHBondContact O-CB 3.41Å; A571-Q575 PolarHBondContact O-N 2.83Å
572S38.2Very low36.7Very low92 Ų92105.8 Ų105.864%0.64360%0.598SS**Hα-helixtrans-62.6-40.2174.5-43.70000111.9S570 Q575 W576S570-S572 PolarHBondContact O-N 2.88Å; S570-S572 PolarHBondContact OG-N 2.82Å; S572-Q575 PolarHBondContact O-N 2.96Å; S572-W576 VanDerWaalsContact O-CB 3.29Å; S572-W576 WeakPolarHBondContact O-CB 3.48Å; S572-W576 PolarHBondContact O-N 2.73Å
573Y39.4Very low37.3Very low103 Ų103102.2 Ų102.240%0.40458%0.577SS.*Hα-helixtrans-68.1-42.3176.6-169.3-88.3000111.6S570 A571 Q575 W576 A577 Y587S570-Y573 WeakPolarHBondContact O-CB 2.94Å; S570-Y573 PolarHBondContact O-N 3.46Å; S570-Y573 PolarHBondContact OG-N 2.83Å; A571-Y573 VanDerWaalsContact C-N 3.34Å; A571-Y573 PolarHBondContact O-N 2.92Å; Y573-Q575 PolarHBondContact O-N 3.3Å; Y573-W576 PolarHBondContact O-N 3.14Å; Y573-A577 WeakPolarHBondContact O-CB 3.31Å; Y573-A577 PolarHBondContact O-N 2.83Å; Y573-Y587 PolarHBondContact OH-OH 3Å
574Q40.9Very low38.1Very low86 Ų86102.8 Ų102.840%0.40257%0.572SS.*Hα-helixtrans-66-36.6175.5-66.7-165.914.800112.7S568 S570 A571 R578S568-Q574 PolarHBondContact O-NE2 3.26Å; S568-Q574 VanDerWaalsContact O-NE2 3.11Å; S570-Q574 PolarHBondContact O-N 2.75Å; A571-Q574 PolarHBondContact O-N 2.57Å; Q574-R578 WeakPolarHBondContact O-CB 3.49Å; Q574-R578 WeakPolarHBondContact O-CG 3.25Å; Q574-R578 PolarHBondContact O-N 3.21Å; Q574-R578 VanDerWaalsContact O-N 3.08Å
575Q44.1Very low38.7Very low133 Ų133101.4 Ų101.462%0.62156%0.562SS**Hα-helixtrans-72.2-36.2176.2-171.4156.4-12.200112A571 S572 Y573 L579A571-Q575 WeakPolarHBondContact O-CB 3.41Å; A571-Q575 PolarHBondContact O-N 2.83Å; S572-Q575 PolarHBondContact O-N 2.96Å; Y573-Q575 PolarHBondContact O-N 3.3Å; Q575-L579 HydrophobicContact CG-CD1 4.38Å; Q575-L579 WeakPolarHBondContact O-CD1 3.4Å; Q575-L579 VanDerWaalsContact O-CG 3.29Å; Q575-L579 WeakPolarHBondContact O-CG 3.27Å; Q575-L579 PolarHBondContact O-N 3.34Å
576W40.8Very low39.4Very low49 Ų4999 Ų9919%0.18654%0.539CS..Hα-helixtrans-65.7-47.3172.5-170.682.2000111.9S572 Y573 R578 L579 Y580 Y587 C590 L594S572-W576 VanDerWaalsContact O-CB 3.29Å; S572-W576 WeakPolarHBondContact O-CB 3.48Å; S572-W576 PolarHBondContact O-N 2.73Å; Y573-W576 PolarHBondContact O-N 3.14Å; W576-R578 PolarHBondContact O-N 3.26Å; W576-L579 PolarHBondContact O-N 3.32Å; W576-Y580 AromaticContact CD1-CD2 3.71Å; W576-Y580 AromaticContact CD1-CE2 3.77Å; W576-Y580 HydrophobicContact CD2-CD2 4.18Å; W576-Y580 AromaticContact CE2-CD2 3.81Å; W576-Y580 HydrophobicContact CG-CD2 4.11Å; W576-Y580 HydrophobicContact CZ2-CD2 4.41Å; W576-Y580 AromaticContact NE1-CD2 3.51Å; W576-Y580 AromaticContact NE1-CE2 3.6Å; W576-Y580 WeakPolarHBondContact O-CD2 3.26Å; W576-Y580 PolarHBondContact O-N 3.23Å; W576-Y580 VanDerWaalsContact O-N 3.13Å; W576-Y587 HydrophobicContact CH2-CD2 4.21Å; W576-Y587 AromaticContact CZ3-CD2 3.84Å; W576-Y587 HydrophobicContact CZ3-CD2 3.84Å; W576-Y587 AromaticContact CZ3-CE2 3.92Å; W576-Y587 HydrophobicContact CZ3-CE2 3.92Å; W576-C590 HydrophobicContact CH2-CB 3.62Å; W576-C590 HydrophobicContact CZ2-CB 3.45Å; W576-C590 VanDerWaalsContact CZ2-CB 3.45Å; W576-L594 HydrophobicContact CD2-CD2 4.47Å; W576-L594 HydrophobicContact CZ2-CD2 4.25Å
577A44Very low39.8Very low26 Ų2695.5 Ų95.522%0.21552%0.516CS..Hα-helixtrans-56.8-46.1175.900000112Y573 L579 Y580 D581Y573-A577 WeakPolarHBondContact O-CB 3.31Å; Y573-A577 PolarHBondContact O-N 2.83Å; A577-L579 PolarHBondContact O-N 2.97Å; A577-Y580 PolarHBondContact O-N 2.9Å; A577-D581 WeakPolarHBondContact O-CB 3.3Å; A577-D581 PolarHBondContact O-N 3.01Å; A577-D581 VanDerWaalsContact O-N 3.09Å
578R45.2Very low40.4Very low192 Ų19295 Ų9573%0.72551%0.508SS*.Hα-helixtrans-62.2-21.7176.1-72.7171.7-164.5173.19.3114.5Q574 W576Q574-R578 WeakPolarHBondContact O-CB 3.49Å; Q574-R578 WeakPolarHBondContact O-CG 3.25Å; Q574-R578 PolarHBondContact O-N 3.21Å; Q574-R578 VanDerWaalsContact O-N 3.08Å; W576-R578 PolarHBondContact O-N 3.26Å
579L42.5Very low40.7Very low109 Ų10995 Ų9557%0.57150%0.5SS*.Hα-helixtrans-91.5-26.5179.6-73.6168.2000113.1Q575 W576 A577Q575-L579 HydrophobicContact CG-CD1 4.38Å; Q575-L579 WeakPolarHBondContact O-CD1 3.4Å; Q575-L579 VanDerWaalsContact O-CG 3.29Å; Q575-L579 WeakPolarHBondContact O-CG 3.27Å; Q575-L579 PolarHBondContact O-N 3.34Å; W576-L579 PolarHBondContact O-N 3.32Å; A577-L579 PolarHBondContact O-N 2.97Å
580Y42.7Very low41.1Very low61 Ų6191.6 Ų91.624%0.23948%0.476CS..Hα-helixtrans-119.25.3-170.1-69.1-76.8000115.3W576 A577 S582 Q583W576-Y580 AromaticContact CD1-CD2 3.71Å; W576-Y580 AromaticContact CD1-CE2 3.77Å; W576-Y580 HydrophobicContact CD2-CD2 4.18Å; W576-Y580 AromaticContact CE2-CD2 3.81Å; W576-Y580 HydrophobicContact CG-CD2 4.11Å; W576-Y580 HydrophobicContact CZ2-CD2 4.41Å; W576-Y580 AromaticContact NE1-CD2 3.51Å; W576-Y580 AromaticContact NE1-CE2 3.6Å; W576-Y580 WeakPolarHBondContact O-CD2 3.26Å; W576-Y580 PolarHBondContact O-N 3.23Å; W576-Y580 VanDerWaalsContact O-N 3.13Å; A577-Y580 PolarHBondContact O-N 2.9Å; Y580-S582 PolarHBondContact O-N 2.86Å; Y580-Q583 PolarHBondContact O-N 3.25Å; Y580-Q583 VanDerWaalsContact O-N 3.1Å
581D38.2Very low41.5Very low136 Ų13690.6 Ų90.673%0.72747%0.469SS*.THydrogen-bonded Turntrans-53.7-19.1178-142.54.8000114.3A577A577-D581 WeakPolarHBondContact O-CB 3.3Å; A577-D581 PolarHBondContact O-N 3.01Å; A577-D581 VanDerWaalsContact O-N 3.09Å
582S44.4Very low41.9Very low107 Ų10796.2 Ų96.275%0.74848%0.475SS*.THydrogen-bonded Turntrans-85.6-11.7-179.359.80000115.4Y580Y580-S582 PolarHBondContact O-N 2.86Å
583Q41.8Very low42.5Very low94 Ų9494.5 Ų94.544%0.43946%0.458SS..  trans-130.574.4-173.4-65.8-159.3-31.400114.1Y580 P585 I586 Y587Y580-Q583 PolarHBondContact O-N 3.25Å; Y580-Q583 VanDerWaalsContact O-N 3.1Å; Q583-P585 VanDerWaalsContact C-CD 3.44Å; Q583-I586 HydrophobicContact CB-CB 4.47Å; Q583-I586 PolarHBondContact O-N 3.39Å; Q583-I586 VanDerWaalsContact O-N 3.12Å; Q583-Y587 PolarHBondContact O-N 3.1Å
584K38.8Very low43Very low167 Ų16791.6 Ų91.673%0.72645%0.449SS*.Hα-helixtrans-41.6-45.6177.5-67.2-173.7176.9-177.70117.2Y587 N588K584-Y587 PolarHBondContact O-N 3.44Å; K584-N588 PolarHBondContact O-N 3.37Å; K584-N588 VanDerWaalsContact O-N 3.08Å
585P37Very low43.3Very low78 Ų7889.9 Ų89.951%0.50645%0.445SS..Hα-helixtrans-68-38.7-178.825.1-33.5000112.8Q583 N588 L589Q583-P585 VanDerWaalsContact C-CD 3.44Å; P585-N588 PolarHBondContact O-N 2.75Å; P585-L589 PolarHBondContact O-N 3.07Å
586I39Very low43.5Very low76 Ų7686.2 Ų86.239%0.3943%0.428SS..Hα-helixtrans-73-38.2176.7-71.6160.8000110.3Q583 N588 L589 C590Q583-I586 HydrophobicContact CB-CB 4.47Å; Q583-I586 PolarHBondContact O-N 3.39Å; Q583-I586 VanDerWaalsContact O-N 3.12Å; I586-N588 VanDerWaalsContact C-N 3.29Å; I586-N588 PolarHBondContact O-N 3.11Å; I586-L589 PolarHBondContact O-N 3.16Å; I586-C590 VanDerWaalsContact O-CB 3.3Å; I586-C590 WeakPolarHBondContact O-CB 3.38Å; I586-C590 PolarHBondContact O-N 3.39Å
587Y38.3Very low43.6Very low75 Ų7586.8 Ų86.829%0.29443%0.43SS..Hα-helixtrans-53.8-45.9171.8179.3-89.5000111.5Y573 W576 Q583 K584 S591Y573-Y587 PolarHBondContact OH-OH 3Å; W576-Y587 HydrophobicContact CH2-CD2 4.21Å; W576-Y587 AromaticContact CZ3-CD2 3.84Å; W576-Y587 HydrophobicContact CZ3-CD2 3.84Å; W576-Y587 AromaticContact CZ3-CE2 3.92Å; W576-Y587 HydrophobicContact CZ3-CE2 3.92Å; Q583-Y587 PolarHBondContact O-N 3.1Å; K584-Y587 PolarHBondContact O-N 3.44Å; Y587-S591 WeakPolarHBondContact O-CB 3.42Å; Y587-S591 PolarHBondContact O-N 3.03Å; Y587-S591 PolarHBondContact O-OG 3.14Å
588N42.6Very low43.6Very low92 Ų9292.1 Ų92.149%0.49245%0.454SS..Hα-helixtrans-64.6-52.6177.6-74.6-5.4000112.2K584 P585 I586 C590 S591 Y592K584-N588 PolarHBondContact O-N 3.37Å; K584-N588 VanDerWaalsContact O-N 3.08Å; P585-N588 PolarHBondContact O-N 2.75Å; I586-N588 VanDerWaalsContact C-N 3.29Å; I586-N588 PolarHBondContact O-N 3.11Å; N588-C590 VanDerWaalsContact C-N 3.32Å; N588-C590 PolarHBondContact O-N 2.91Å; N588-S591 PolarHBondContact O-N 3.07Å; N588-S591 VanDerWaalsContact O-N 3.13Å; N588-Y592 WeakPolarHBondContact O-CD2 3.42Å; N588-Y592 PolarHBondContact O-N 3.38Å
589L42.2Very low43.3Very low90 Ų9087.7 Ų87.747%0.47145%0.445SS..Hα-helixtrans-60.1-44.3-176.7-151.985.9000111.3L535 P585 I586 Y592 I593L535-L589 HydrophobicContact CD2-CD2 3.88Å; P585-L589 PolarHBondContact O-N 3.07Å; I586-L589 PolarHBondContact O-N 3.16Å; L589-Y592 PolarHBondContact O-N 3.44Å; L589-I593 HydrophobicContact CD2-CD1 4.31Å; L589-I593 HydrophobicContact CG-CD1 3.98Å; L589-I593 WeakPolarHBondContact O-CB 3.28Å; L589-I593 VanDerWaalsContact O-CG1 3.32Å; L589-I593 WeakPolarHBondContact O-CG1 3.4Å; L589-I593 PolarHBondContact O-N 3.28Å; L589-I593 VanDerWaalsContact O-N 3.14Å
590C44.6Very low43.3Very low28 Ų2894.5 Ų94.519%0.18946%0.463CS..Hα-helixtrans-70.8-32.1176-680000112.9W576 I586 N588 Y592 I593 L594 P595W576-C590 HydrophobicContact CH2-CB 3.62Å; W576-C590 HydrophobicContact CZ2-CB 3.45Å; W576-C590 VanDerWaalsContact CZ2-CB 3.45Å; I586-C590 VanDerWaalsContact O-CB 3.3Å; I586-C590 WeakPolarHBondContact O-CB 3.38Å; I586-C590 PolarHBondContact O-N 3.39Å; N588-C590 VanDerWaalsContact C-N 3.32Å; N588-C590 PolarHBondContact O-N 2.91Å; C590-Y592 VanDerWaalsContact C-N 3.27Å; C590-Y592 PolarHBondContact O-N 3.38Å; C590-I593 PolarHBondContact O-N 3.12Å; C590-L594 WeakPolarHBondContact O-CA 3.4Å; C590-L594 WeakPolarHBondContact O-CB 3.35Å; C590-L594 PolarHBondContact O-N 3.1Å; C590-P595 WeakPolarHBondContact O-CD 3.14Å
591S47.9Very low43Very low32 Ų3295.6 Ų95.622%0.22449%0.485CS..Hα-helixtrans-66.6-26.3176.2-65.50000113.4Y587 N588 P595Y587-S591 WeakPolarHBondContact O-CB 3.42Å; Y587-S591 PolarHBondContact O-N 3.03Å; Y587-S591 PolarHBondContact O-OG 3.14Å; N588-S591 PolarHBondContact O-N 3.07Å; N588-S591 VanDerWaalsContact O-N 3.13Å; S591-P595 WeakPolarHBondContact O-CD 3.42Å; S591-P595 VanDerWaalsContact O-CG 3.24Å; S591-P595 WeakPolarHBondContact O-CG 3.38Å
592Y47.8Very low43.1Very low195 Ų19592 Ų9277%0.76547%0.468SS*.Hα-helixtrans-86.1-35172.5-68.7-66.6000113.2N588 L589 C590N588-Y592 WeakPolarHBondContact O-CD2 3.42Å; N588-Y592 PolarHBondContact O-N 3.38Å; L589-Y592 PolarHBondContact O-N 3.44Å; C590-Y592 VanDerWaalsContact C-N 3.27Å; C590-Y592 PolarHBondContact O-N 3.38Å
593I51.3Low43Very low56 Ų5692.7 Ų92.729%0.28747%0.47SS..Hα-helixtrans-93.3-40.3-171-63.7175.2000112.3L589 C590 F596 Y597 L625L589-I593 HydrophobicContact CD2-CD1 4.31Å; L589-I593 HydrophobicContact CG-CD1 3.98Å; L589-I593 WeakPolarHBondContact O-CB 3.28Å; L589-I593 VanDerWaalsContact O-CG1 3.32Å; L589-I593 WeakPolarHBondContact O-CG1 3.4Å; L589-I593 PolarHBondContact O-N 3.28Å; L589-I593 VanDerWaalsContact O-N 3.14Å; C590-I593 PolarHBondContact O-N 3.12Å; I593-F596 WeakPolarHBondContact O-CB 3.48Å; I593-F596 PolarHBondContact O-N 3.09Å; I593-Y597 HydrophobicContact CG2-CD2 3.64Å; I593-Y597 HydrophobicContact CG2-CE2 3.58Å; I593-Y597 WeakPolarHBondContact O-CD2 3.39Å; I593-Y597 PolarHBondContact O-N 3.2Å; I593-L625 HydrophobicContact CG2-CD1 3.91Å
594L48.6Very low43.1Very low41 Ų4191.1 Ų91.122%0.21547%0.467CS..Hα-helixtrans-69.3-40.1-173.7-162.669.3000113.1W576 C590 F596 Y597 L598W576-L594 HydrophobicContact CD2-CD2 4.47Å; W576-L594 HydrophobicContact CZ2-CD2 4.25Å; C590-L594 WeakPolarHBondContact O-CA 3.4Å; C590-L594 WeakPolarHBondContact O-CB 3.35Å; C590-L594 PolarHBondContact O-N 3.1Å; L594-F596 VanDerWaalsContact C-N 3.28Å; L594-F596 PolarHBondContact O-N 3.29Å; L594-Y597 PolarHBondContact O-N 3.14Å; L594-L598 HydrophobicContact CD1-CD1 4.31Å; L594-L598 HydrophobicContact CD1-CG 4.43Å; L594-L598 HydrophobicContact CD2-CD1 4.23Å; L594-L598 HydrophobicContact CG-CD1 3.78Å; L594-L598 HydrophobicContact CG-CG 4.23Å; L594-L598 WeakPolarHBondContact O-CB 3.45Å; L594-L598 WeakPolarHBondContact O-CG 3.37Å; L594-L598 PolarHBondContact O-N 3.08Å
595P47Very low43.2Very low50 Ų5087 Ų8733%0.32546%0.457SS..Hα-helixtrans-64.3-31.3173.5-24.437.1000113.3C590 S591 N599C590-P595 WeakPolarHBondContact O-CD 3.14Å; S591-P595 WeakPolarHBondContact O-CD 3.42Å; S591-P595 VanDerWaalsContact O-CG 3.24Å; S591-P595 WeakPolarHBondContact O-CG 3.38Å; P595-N599 WeakPolarHBondContact O-CA 3.28Å; P595-N599 WeakPolarHBondContact O-CB 3.39Å; P595-N599 PolarHBondContact O-N 2.95Å
596F48.7Very low43.3Very low56 Ų5688.7 Ų88.725%0.24647%0.47CS..Hα-helixtrans-66.7-42.1176.4177.2-103000111.9I593 L594 V604 L612I593-F596 WeakPolarHBondContact O-CB 3.48Å; I593-F596 PolarHBondContact O-N 3.09Å; L594-F596 VanDerWaalsContact C-N 3.28Å; L594-F596 PolarHBondContact O-N 3.29Å; F596-V604 HydrophobicContact CE2-CG2 3.57Å; F596-V604 HydrophobicContact CZ-CG2 4.03Å; F596-L612 HydrophobicContact CE1-CD1 4.25Å; F596-L612 HydrophobicContact CE1-CD2 3.92Å; F596-L612 HydrophobicContact CE2-CD1 4.5Å; F596-L612 HydrophobicContact CZ-CD1 3.91Å; F596-L612 HydrophobicContact CZ-CD2 4.29Å
597Y43.1Very low43.2Very low61 Ų6192.9 Ų92.924%0.23949%0.486CS..Hα-helixtrans-77.4-28.8175.6-76.3-70.5000114.2I593 L594 H618 V621 I622 L625I593-Y597 HydrophobicContact CG2-CD2 3.64Å; I593-Y597 HydrophobicContact CG2-CE2 3.58Å; I593-Y597 WeakPolarHBondContact O-CD2 3.39Å; I593-Y597 PolarHBondContact O-N 3.2Å; L594-Y597 PolarHBondContact O-N 3.14Å; Y597-H618 AromaticContact CE1-CE1 3.56Å; Y597-H618 AromaticContact CE1-NE2 3.48Å; Y597-H618 WeakPolarHBondContact CE1-NE2 3.47Å; Y597-V621 HydrophobicContact CE2-CG1 3.75Å; Y597-V621 WeakPolarHBondContact OH-CG1 3.32Å; Y597-I622 HydrophobicContact CD1-CD1 4.07Å; Y597-I622 HydrophobicContact CD1-CG1 3.8Å; Y597-I622 HydrophobicContact CE1-CD1 3.75Å; Y597-I622 HydrophobicContact CE1-CG1 3.43Å; Y597-I622 VanDerWaalsContact CE1-CG1 3.43Å; Y597-L625 HydrophobicContact CD2-CD1 4.24Å; Y597-L625 HydrophobicContact CE2-CD1 4.19Å
598L43.1Very low43.4Very low138 Ų13895.1 Ų95.172%0.72350%0.495SS*.Hα-helixtrans-89.2-22.1179.1-68.7-179.5000114.2L594L594-L598 HydrophobicContact CD1-CD1 4.31Å; L594-L598 HydrophobicContact CD1-CG 4.43Å; L594-L598 HydrophobicContact CD2-CD1 4.23Å; L594-L598 HydrophobicContact CG-CD1 3.78Å; L594-L598 HydrophobicContact CG-CG 4.23Å; L594-L598 WeakPolarHBondContact O-CB 3.45Å; L594-L598 WeakPolarHBondContact O-CG 3.37Å; L594-L598 PolarHBondContact O-N 3.08Å
599N39.1Very low43.2Very low100 Ų10091.7 Ų91.754%0.53548%0.481SS..  trans-14192-171.7-161.73.4000111.3P595 A601P595-N599 WeakPolarHBondContact O-CA 3.28Å; P595-N599 WeakPolarHBondContact O-CB 3.39Å; P595-N599 PolarHBondContact O-N 2.95Å; N599-A601 PolarHBondContact O-N 2.93Å
600R42.6Very low43.2Very low251 Ų25192.5 Ų92.595%0.94749%0.492SS*.THydrogen-bonded Turntrans-66.520.6-169.7-150.3-178.4-171.1-173.82.1115.7
601A36.1Very low42.9Very low84 Ų8497.1 Ų97.169%0.69451%0.509SS*.THydrogen-bonded Turntrans-115.80.8-17400000114N599N599-A601 PolarHBondContact O-N 2.93Å
602T41.9Very low42.7Very low61 Ų6198 Ų9837%0.37451%0.511SS..SBendtrans-87127.617751.60000111.7
603P40.9Very low42.5Very low122 Ų12295.2 Ų95.279%0.79251%0.509SS*.PPolyproline II helixtrans-71.1136.9179.528.8-34.3000112
604V43.7Very low42.3Very low60 Ų6095.6 Ų95.636%0.36451%0.512SS..PPolyproline II helixtrans-70.8127178.3172.30000110.5F596 S606 L612F596-V604 HydrophobicContact CE2-CG2 3.57Å; F596-V604 HydrophobicContact CZ-CG2 4.03Å; V604-S606 PolarHBondContact O-N 3.41Å; V604-L612 HydrophobicContact CG1-CD1 3.74Å; V604-L612 HydrophobicContact CG2-CD1 3.91Å
605P40.9Very low42.1Very low82 Ų8298.6 Ų98.653%0.53253%0.533SS..PPolyproline II helixtrans-62125.8168-18.130.5000109.6K607 Y608P605-K607 PolarHBondContact O-N 3Å; P605-Y608 HydrophobicContact CB-CD2 3.97Å; P605-Y608 HydrophobicContact CB-CE2 4.34Å; P605-Y608 HydrophobicContact CG-CD2 4.14Å; P605-Y608 HydrophobicContact CG-CE2 4.47Å; P605-Y608 PolarHBondContact O-N 3.3Å
606S40Very low41.9Very low112 Ų112100.6 Ų100.678%0.78354%0.541SS*.G310 helixtrans-50.7-32.4-168.255.80000115V604 Y608 G609V604-S606 PolarHBondContact O-N 3.41Å; S606-Y608 PolarHBondContact O-N 3.22Å; S606-Y608 VanDerWaalsContact O-N 3.12Å; S606-G609 PolarHBondContact O-N 3.18Å; S606-G609 VanDerWaalsContact O-N 3.15Å
607K37.8Very low41.9Very low164 Ų16499.8 Ų99.871%0.71354%0.539SS*.G310 helixtrans-55.6-23.8174.6-165174.1-176.9179.90114.3P605P605-K607 PolarHBondContact O-N 3Å
608Y40.9Very low42.1Very low123 Ų12399.9 Ų99.948%0.48254%0.542SS..G310 helixtrans-105.6-4.2-179.3-55.8-61.2000114.4P605 S606 F611 L612P605-Y608 HydrophobicContact CB-CD2 3.97Å; P605-Y608 HydrophobicContact CB-CE2 4.34Å; P605-Y608 HydrophobicContact CG-CD2 4.14Å; P605-Y608 HydrophobicContact CG-CE2 4.47Å; P605-Y608 PolarHBondContact O-N 3.3Å; S606-Y608 PolarHBondContact O-N 3.22Å; S606-Y608 VanDerWaalsContact O-N 3.12Å; Y608-F611 WeakPolarHBondContact O-CB 3.2Å; Y608-F611 PolarHBondContact O-N 3.39Å; Y608-L612 PolarHBondContact O-N 3.05Å
609G39.9Very low42.4Very low19 Ų1995.1 Ų95.120%0.19652%0.52CS..Hα-helixtrans-51.1-48.7177.900000113.9S606 F611 L612 N613S606-G609 PolarHBondContact O-N 3.18Å; S606-G609 VanDerWaalsContact O-N 3.15Å; G609-F611 PolarHBondContact O-N 3.02Å; G609-L612 PolarHBondContact O-N 3.18Å; G609-N613 PolarHBondContact O-N 3.16Å
610P41Very low42.9Very low108 Ų10894.1 Ų94.170%0.70151%0.509SS*.Hα-helixtrans-63.8-21.9176.7-23.935.2000114.8
611F39.2Very low43.2Very low125 Ų12584.5 Ų84.555%0.54848%0.478SS..Hα-helixtrans-86.9-19.2179.3-65.7-97.9000112.7Y608 G609 L617Y608-F611 WeakPolarHBondContact O-CB 3.2Å; Y608-F611 PolarHBondContact O-N 3.39Å; G609-F611 PolarHBondContact O-N 3.02Å; F611-L617 WeakPolarHBondContact O-CD2 3.45Å
612L44.1Very low44Very low50 Ų5083.8 Ų83.826%0.26246%0.461SS..Hα-helixtrans-105.3-9.4-173.2-68.3169.3000113.7F596 V604 Y608 G609F596-L612 HydrophobicContact CE1-CD1 4.25Å; F596-L612 HydrophobicContact CE1-CD2 3.92Å; F596-L612 HydrophobicContact CE2-CD1 4.5Å; F596-L612 HydrophobicContact CZ-CD1 3.91Å; F596-L612 HydrophobicContact CZ-CD2 4.29Å; V604-L612 HydrophobicContact CG1-CD1 3.74Å; V604-L612 HydrophobicContact CG2-CD1 3.91Å; Y608-L612 PolarHBondContact O-N 3.05Å; G609-L612 PolarHBondContact O-N 3.18Å
613N42.8Very low44.4Very low137 Ų13784 Ų8473%0.73346%0.46SS*.SBendtrans-87.3-1.2176.6-72-4.3000114.1G609 P615G609-N613 PolarHBondContact O-N 3.16Å; N613-P615 WeakPolarHBondContact O-CD 3.39Å
614D46Very low44.8Very low64 Ų6483 Ų8334%0.34245%0.448SS..  trans-88.5111.9172.6178.3-14.9000109.9L616 L617 H618D614-L616 VanDerWaalsContact C-N 3.28Å; D614-L616 PolarHBondContact O-N 3.13Å; D614-L616 WeakPolarHBondContact OD1-CA 3.42Å; D614-L616 WeakPolarHBondContact OD1-CB 3.41Å; D614-L616 PolarHBondContact OD1-N 2.8Å; D614-L617 HydrophobicContact CB-CB 3.81Å; D614-L617 PolarHBondContact O-N 3.45Å; D614-L617 PolarHBondContact OD1-N 2.82Å; D614-H618 WeakPolarHBondContact O-CB 3.18Å; D614-H618 PolarHBondContact O-N 3.01Å
615P46.2Very low45Very low103 Ų10382.3 Ų82.367%0.66944%0.442SS*.Hα-helixtrans-64.2-31.3-179.4-20.433.5000113.4N613 S619N613-P615 WeakPolarHBondContact O-CD 3.39Å; P615-S619 WeakPolarHBondContact O-CB 3.31Å; P615-S619 PolarHBondContact O-N 3.19Å
616L42.6Very low45.4Very low92 Ų9284.8 Ų84.848%0.48244%0.441SS..Hα-helixtrans-75.1-38.6-179.9-59.3175.1000110.5D614 R620D614-L616 VanDerWaalsContact C-N 3.28Å; D614-L616 PolarHBondContact O-N 3.13Å; D614-L616 WeakPolarHBondContact OD1-CA 3.42Å; D614-L616 WeakPolarHBondContact OD1-CB 3.41Å; D614-L616 PolarHBondContact OD1-N 2.8Å; L616-R620 WeakPolarHBondContact O-CB 3.3Å; L616-R620 WeakPolarHBondContact O-CG 3.15Å; L616-R620 PolarHBondContact O-N 2.89Å
617L47.2Very low45.9Very low39 Ų3983.2 Ų83.220%0.20443%0.43CS..Hα-helixtrans-66.8-41.1172.4-157.976.9000111.5F611 D614 R620 V621F611-L617 WeakPolarHBondContact O-CD2 3.45Å; D614-L617 HydrophobicContact CB-CB 3.81Å; D614-L617 PolarHBondContact O-N 3.45Å; D614-L617 PolarHBondContact OD1-N 2.82Å; L617-R620 PolarHBondContact O-N 3.49Å; L617-V621 WeakPolarHBondContact O-CG2 3.15Å; L617-V621 PolarHBondContact O-N 2.82Å
618H48.7Very low46.4Very low64 Ų6479.1 Ų79.130%0.29642%0.415SS..Hα-helixtrans-60.9-45.8176.1-158.392.5000111.4Y597 D614 V621 I622Y597-H618 AromaticContact CE1-CE1 3.56Å; Y597-H618 AromaticContact CE1-NE2 3.48Å; Y597-H618 WeakPolarHBondContact CE1-NE2 3.47Å; D614-H618 WeakPolarHBondContact O-CB 3.18Å; D614-H618 PolarHBondContact O-N 3.01Å; H618-V621 PolarHBondContact O-N 3.2Å; H618-I622 WeakPolarHBondContact O-CG1 3.18Å; H618-I622 PolarHBondContact O-N 2.98Å; H618-I622 VanDerWaalsContact O-N 3.08Å
619S48.6Very low46.8Very low38 Ų3876.8 Ų76.827%0.26641%0.41SS..Hα-helixtrans-61.8-45.3173.9-173.80000112.3P615 V621 I622 N623P615-S619 WeakPolarHBondContact O-CB 3.31Å; P615-S619 PolarHBondContact O-N 3.19Å; S619-V621 PolarHBondContact O-N 3.42Å; S619-I622 PolarHBondContact O-N 3.34Å; S619-N623 WeakPolarHBondContact O-CB 3.41Å; S619-N623 VanDerWaalsContact O-CG 3.3Å; S619-N623 PolarHBondContact O-N 2.72Å; S619-N623 PolarHBondContact O-ND2 3.07Å; S619-N623 PolarHBondContact OG-ND2 2.93Å
620R49.6Very low47.2Very low79 Ų7979.5 Ų79.530%0.29842%0.42SS..Hα-helixtrans-58.1-44.9175.3-82.7177.8171.4141.70.6112.7Q201 L616 L617 N623 N624Q201-R620 VanDerWaalsContact OE1-CZ 3.3Å; L616-R620 WeakPolarHBondContact O-CB 3.3Å; L616-R620 WeakPolarHBondContact O-CG 3.15Å; L616-R620 PolarHBondContact O-N 2.89Å; L617-R620 PolarHBondContact O-N 3.49Å; R620-N623 PolarHBondContact O-N 2.77Å; R620-N624 WeakPolarHBondContact O-CB 3.42Å; R620-N624 VanDerWaalsContact O-CG 3.27Å; R620-N624 PolarHBondContact O-N 3.18Å; R620-N624 PolarHBondContact O-ND2 3.13Å
621V49Very low47.7Very low49 Ų4978.5 Ų78.530%0.29741%0.406SS..Hα-helixtrans-65.4-44.2178.9172.50000111Y597 L617 H618 S619 L625Y597-V621 HydrophobicContact CE2-CG1 3.75Å; Y597-V621 WeakPolarHBondContact OH-CG1 3.32Å; L617-V621 WeakPolarHBondContact O-CG2 3.15Å; L617-V621 PolarHBondContact O-N 2.82Å; H618-V621 PolarHBondContact O-N 3.2Å; S619-V621 PolarHBondContact O-N 3.42Å; V621-L625 HydrophobicContact CG1-CD1 3.76Å; V621-L625 HydrophobicContact CG1-CG 4.31Å; V621-L625 WeakPolarHBondContact O-CB 3.5Å; V621-L625 VanDerWaalsContact O-CG 3.24Å; V621-L625 WeakPolarHBondContact O-CG 3.46Å; V621-L625 PolarHBondContact O-N 3.48Å
622I53.4Low47.9Very low69 Ų6977.4 Ų77.435%0.35440%0.401SS..Hα-helixtrans-59.8-48.2175.7-69.2168.8000111.2Y597 H618 S619 L625 R626Y597-I622 HydrophobicContact CD1-CD1 4.07Å; Y597-I622 HydrophobicContact CD1-CG1 3.8Å; Y597-I622 HydrophobicContact CE1-CD1 3.75Å; Y597-I622 HydrophobicContact CE1-CG1 3.43Å; Y597-I622 VanDerWaalsContact CE1-CG1 3.43Å; H618-I622 WeakPolarHBondContact O-CG1 3.18Å; H618-I622 PolarHBondContact O-N 2.98Å; H618-I622 VanDerWaalsContact O-N 3.08Å; S619-I622 PolarHBondContact O-N 3.34Å; I622-L625 PolarHBondContact O-N 2.97Å; I622-R626 VanDerWaalsContact O-CB 3.3Å; I622-R626 WeakPolarHBondContact O-CB 3.31Å; I622-R626 PolarHBondContact O-N 2.85Å
623N49.2Very low48Very low66 Ų6679.9 Ų79.935%0.35341%0.414SS..Hα-helixtrans-68.1-39.2-176.8-69.3-29.1000112.4S619 R620 R626 S627S619-N623 WeakPolarHBondContact O-CB 3.41Å; S619-N623 VanDerWaalsContact O-CG 3.3Å; S619-N623 PolarHBondContact O-N 2.72Å; S619-N623 PolarHBondContact O-ND2 3.07Å; S619-N623 PolarHBondContact OG-ND2 2.93Å; R620-N623 PolarHBondContact O-N 2.77Å; N623-R626 PolarHBondContact O-N 3.1Å; N623-S627 WeakPolarHBondContact O-CB 3.36Å; N623-S627 PolarHBondContact O-N 2.86Å
624N49.1Very low47.8Very low100 Ų10077.3 Ų77.354%0.53540%0.4SS..Hα-helixtrans-65.9-46.1174.4-74.2-16.6000111.8R620 R626 S627 I628R620-N624 WeakPolarHBondContact O-CB 3.42Å; R620-N624 VanDerWaalsContact O-CG 3.27Å; R620-N624 PolarHBondContact O-N 3.18Å; R620-N624 PolarHBondContact O-ND2 3.13Å; N624-R626 VanDerWaalsContact C-N 3.29Å; N624-R626 PolarHBondContact O-N 3.15Å; N624-S627 PolarHBondContact O-N 3.03Å; N624-I628 WeakPolarHBondContact O-CD1 3.43Å; N624-I628 VanDerWaalsContact O-CG1 3.27Å; N624-I628 WeakPolarHBondContact O-CG1 3.25Å; N624-I628 PolarHBondContact O-N 3.45Å
625L48.6Very low47.6Very low45 Ų4577.9 Ų77.924%0.23640%0.403CS..Hα-helixtrans-59.9-40.7175.6-73.7172.1000111.4I593 Y597 V621 I622 I628 I629I593-L625 HydrophobicContact CG2-CD1 3.91Å; Y597-L625 HydrophobicContact CD2-CD1 4.24Å; Y597-L625 HydrophobicContact CE2-CD1 4.19Å; V621-L625 HydrophobicContact CG1-CD1 3.76Å; V621-L625 HydrophobicContact CG1-CG 4.31Å; V621-L625 WeakPolarHBondContact O-CB 3.5Å; V621-L625 VanDerWaalsContact O-CG 3.24Å; V621-L625 WeakPolarHBondContact O-CG 3.46Å; V621-L625 PolarHBondContact O-N 3.48Å; I622-L625 PolarHBondContact O-N 2.97Å; L625-I628 PolarHBondContact O-N 2.83Å; L625-I629 WeakPolarHBondContact O-CB 3.14Å; L625-I629 WeakPolarHBondContact O-CD1 3.43Å; L625-I629 WeakPolarHBondContact O-CG1 3.27Å; L625-I629 PolarHBondContact O-N 3.35Å
626R50.2Low47.2Very low134 Ų13476.1 Ų76.151%0.50639%0.393SS..Hα-helixtrans-62.8-48.1176.3-170.7174.8-168.9156.35.7112I622 N623 N624 I628 I629 D630I622-R626 VanDerWaalsContact O-CB 3.3Å; I622-R626 WeakPolarHBondContact O-CB 3.31Å; I622-R626 PolarHBondContact O-N 2.85Å; N623-R626 PolarHBondContact O-N 3.1Å; N624-R626 VanDerWaalsContact C-N 3.29Å; N624-R626 PolarHBondContact O-N 3.15Å; R626-I628 VanDerWaalsContact C-N 3.34Å; R626-I628 PolarHBondContact O-N 2.91Å; R626-I629 PolarHBondContact O-N 3.34Å; R626-I629 VanDerWaalsContact O-N 3.17Å; R626-D630 WeakPolarHBondContact O-CB 3.3Å; R626-D630 PolarHBondContact O-N 3.34Å
627S49.4Very low46.9Very low79 Ų7976 Ų7655%0.55240%0.396SS*.Hα-helixtrans-57.6-45.1176.4-169.80000112N623 N624 D630 E631N623-S627 WeakPolarHBondContact O-CB 3.36Å; N623-S627 PolarHBondContact O-N 2.86Å; N624-S627 PolarHBondContact O-N 3.03Å; S627-D630 PolarHBondContact O-N 3.01Å; S627-E631 WeakPolarHBondContact O-CB 3.3Å; S627-E631 PolarHBondContact O-N 3Å
628I48.5Very low46.3Very low78 Ų7877.7 Ų77.740%0.442%0.415SS..Hα-helixtrans-63.6-42.1176.6-66.7163.4000111.1N624 L625 R626 K632N624-I628 WeakPolarHBondContact O-CD1 3.43Å; N624-I628 VanDerWaalsContact O-CG1 3.27Å; N624-I628 WeakPolarHBondContact O-CG1 3.25Å; N624-I628 PolarHBondContact O-N 3.45Å; L625-I628 PolarHBondContact O-N 2.83Å; R626-I628 VanDerWaalsContact C-N 3.34Å; R626-I628 PolarHBondContact O-N 2.91Å; I628-K632 VanDerWaalsContact O-CG 3.22Å; I628-K632 WeakPolarHBondContact O-CG 3.3Å; I628-K632 PolarHBondContact O-N 3.13Å; I628-K632 VanDerWaalsContact O-N 3.1Å
629I50Low45.6Very low75 Ų7581 Ų8139%0.38544%0.435SS..Hα-helixtrans-64.9-47.1177.8-72.1164000111L625 R626 K632 L633L625-I629 WeakPolarHBondContact O-CB 3.14Å; L625-I629 WeakPolarHBondContact O-CD1 3.43Å; L625-I629 WeakPolarHBondContact O-CG1 3.27Å; L625-I629 PolarHBondContact O-N 3.35Å; R626-I629 PolarHBondContact O-N 3.34Å; R626-I629 VanDerWaalsContact O-N 3.17Å; I629-K632 PolarHBondContact O-N 3.17Å; I629-L633 WeakPolarHBondContact O-CB 3.3Å; I629-L633 PolarHBondContact O-N 2.9Å
630D48Very low44.9Very low76 Ų7683.8 Ų83.841%0.40645%0.451SS..Hα-helixtrans-66.1-40-178.4-71.3-30.4000111.5R626 S627 L633 L634R626-D630 WeakPolarHBondContact O-CB 3.3Å; R626-D630 PolarHBondContact O-N 3.34Å; S627-D630 PolarHBondContact O-N 3.01Å; D630-L633 PolarHBondContact O-N 2.8Å; D630-L634 WeakPolarHBondContact O-CG 3.32Å; D630-L634 PolarHBondContact O-N 3.07Å
631E50.5Low43.8Very low86 Ų8685.7 Ų85.740%0.40247%0.471SS..Hα-helixtrans-59.9-47172.7-173.7-172.1-140.500111.8S627 L633 L634 L635S627-E631 WeakPolarHBondContact O-CB 3.3Å; S627-E631 PolarHBondContact O-N 3Å; E631-L633 PolarHBondContact O-N 3.38Å; E631-L634 PolarHBondContact O-N 3.29Å; E631-L635 HydrophobicContact CG-CD1 4.26Å; E631-L635 WeakPolarHBondContact O-CG 3.36Å; E631-L635 PolarHBondContact O-N 3.15Å; E631-L635 VanDerWaalsContact O-N 3.1Å
632K45.1Very low42.9Very low103 Ų10388.3 Ų88.345%0.44849%0.489SS..Hα-helixtrans-67.3-33.6177.1-64.1-62.1176.9-159.70112.5I628 I629 S636I628-K632 VanDerWaalsContact O-CG 3.22Å; I628-K632 WeakPolarHBondContact O-CG 3.3Å; I628-K632 PolarHBondContact O-N 3.13Å; I628-K632 VanDerWaalsContact O-N 3.1Å; I629-K632 PolarHBondContact O-N 3.17Å; K632-S636 PolarHBondContact O-N 2.82Å
633L44.9Very low41.6Very low101 Ų10195.4 Ų95.453%0.52952%0.517SS..Hα-helixtrans-66.2-43.9176.9-127.478.6000111.7I629 D630 E631 S636 T637I629-L633 WeakPolarHBondContact O-CB 3.3Å; I629-L633 PolarHBondContact O-N 2.9Å; D630-L633 PolarHBondContact O-N 2.8Å; E631-L633 PolarHBondContact O-N 3.38Å; L633-S636 WeakPolarHBondContact O-CB 3.23Å; L633-S636 PolarHBondContact O-N 3.27Å; L633-T637 PolarHBondContact O-N 2.99Å; L633-T637 PolarHBondContact O-OG1 2.8Å
634L40.2Very low40.6Very low84 Ų8497.1 Ų97.144%0.4454%0.535SS..Hα-helixtrans-63.7-42.3176.6-71.6166.8000111.8D630 E631 S636 T637 A638D630-L634 WeakPolarHBondContact O-CG 3.32Å; D630-L634 PolarHBondContact O-N 3.07Å; E631-L634 PolarHBondContact O-N 3.29Å; L634-S636 VanDerWaalsContact C-N 3.27Å; L634-S636 PolarHBondContact O-N 3.45Å; L634-T637 PolarHBondContact O-N 3.06Å; L634-T637 PolarHBondContact O-OG1 3.26Å; L634-A638 WeakPolarHBondContact O-CB 3.47Å; L634-A638 PolarHBondContact O-N 3.44Å
635L40.9Very low39.5Very low76 Ų7697.6 Ų97.640%0.39855%0.545SS..Hα-helixtrans-63-31.8173.8-73.9166.5000112.7E631 N639E631-L635 HydrophobicContact CG-CD1 4.26Å; E631-L635 WeakPolarHBondContact O-CG 3.36Å; E631-L635 PolarHBondContact O-N 3.15Å; E631-L635 VanDerWaalsContact O-N 3.1Å; L635-N639 PolarHBondContact O-ND2 2.83Å
636S37Very low38.5Very low66 Ų66104 Ų10446%0.46258%0.579SS.*Hα-helixtrans-70.2-48.6175-170.80000111.9K632 L633 L634 A638 N639K632-S636 PolarHBondContact O-N 2.82Å; L633-S636 WeakPolarHBondContact O-CB 3.23Å; L633-S636 PolarHBondContact O-N 3.27Å; L634-S636 VanDerWaalsContact C-N 3.27Å; L634-S636 PolarHBondContact O-N 3.45Å; S636-A638 PolarHBondContact O-N 3.02Å; S636-N639 PolarHBondContact O-N 3.39Å
637T36.6Very low37.3Very low90 Ų90102.1 Ų102.155%0.55259%0.587SS**Hα-helixtrans-69.3-31.5-177.352.60000113.4L633 L634 N639L633-T637 PolarHBondContact O-N 2.99Å; L633-T637 PolarHBondContact O-OG1 2.8Å; L634-T637 PolarHBondContact O-N 3.06Å; L634-T637 PolarHBondContact O-OG1 3.26Å; T637-N639 VanDerWaalsContact C-N 3.27Å; T637-N639 PolarHBondContact O-N 2.9Å
638A35.1Very low36.2Very low74 Ų74105 Ų10561%0.61260%0.601SS**Hα-helixtrans-66.4-2617600000113.7L634 S636L634-A638 WeakPolarHBondContact O-CB 3.47Å; L634-A638 PolarHBondContact O-N 3.44Å; S636-A638 PolarHBondContact O-N 3.02Å
639N34.6Very low35.3Very low132 Ų132105.2 Ų105.271%0.70662%0.622SS**THydrogen-bonded Turntrans-96.9-1.9-174.9-76.3-68.2000114.4L635 S636 T637L635-N639 PolarHBondContact O-ND2 2.83Å; S636-N639 PolarHBondContact O-N 3.39Å; T637-N639 VanDerWaalsContact C-N 3.27Å; T637-N639 PolarHBondContact O-N 2.9Å
640T32.5Very low34.1Very low97 Ų97108.2 Ų108.260%0.59564%0.644SS**  trans-113.252.7-177.159.80000113.6P642T640-P642 WeakPolarHBondContact O-CD 3.15Å
641V27.9Very low33.1Very low120 Ų120111 Ų11173%0.72767%0.668SS**  trans-103.3101.9167.6-177.60000109.7K643V641-K643 PolarHBondContact O-N 3.23Å
642P28.4Very low32.1Very low104 Ų104111.8 Ų111.868%0.67568%0.683SS**  trans-70.5125.7178.428.3-33.3000110.8T640 S644T640-P642 WeakPolarHBondContact O-CD 3.15Å; P642-S644 PolarHBondContact O-N 2.85Å
643K26.1Very low31.4Very low218 Ų218114.5 Ų114.595%0.94870%0.701SS**  trans-74.373.1170.4-69.5179.8178.7175.30110.6V641V641-K643 PolarHBondContact O-N 3.23Å
644S30Very low30.6Very low102 Ų102114.3 Ų114.371%0.71371%0.708SS**  trans-96.1104175.457.60000111.5P642P642-S644 PolarHBondContact O-N 2.85Å
645S25.1Very low30Very low109 Ų109120.9 Ų120.976%0.76273%0.727SS**  trans-63.8132162.152.50000110.7
646L28.1Very low29.5Very low179 Ų179122.2 Ų122.294%0.93774%0.738SS**  trans-151.3135.4156.5-140.573.6000110.7
647S25Very low29.2Very low96 Ų96125 Ų12567%0.67175%0.753SS**  trans-103.1150.5-179.354.10000111.6
648T25.2Very low28.8Very low140 Ų140127.3 Ų127.386%0.85976%0.762SS**  trans47.1102151.255.20000118.1
649G29.3Very low28.6Very low82 Ų82129.2 Ų129.285%0.84577%0.766SS**  trans-141.1114.8161.300000110.5
650T26.8Very low28.4Very low137 Ų137133.8 Ų133.884%0.8477%0.773SS**  trans-99.5137-17650.40000112.6
651C26.6Very low28.6Very low135 Ų135134.9 Ų134.991%0.91278%0.782SS**  trans-141163.1152.9-97.20000109.6
652S28.2Very low28.7Very low102 Ų102135.6 Ų135.671%0.71378%0.781SS**  trans-146.9-172.4-14755.50000113.4
653I30.3Very low29.1Very low160 Ų160136.1 Ų136.182%0.82178%0.779SS**  trans76.5123.9175.6-54.3162.2000111.6
654S28.6Very low29.4Very low98 Ų98132.1 Ų132.169%0.68576%0.763SS**  cis-157.6-173.1-0.8-117.70000107.3
655R28.4Very low29.5Very low222 Ų222135.7 Ų135.784%0.83877%0.766SS**  cis-163.8155.53.9-119174.9-160.4-171.15.1104.2
656T30.1Very low29.9Very low103 Ų103136.7 Ų136.763%0.63277%0.768SS**  cis-171.4156-16.213.20000107.8
657T31.4Very low30Very low124 Ų124135.1 Ų135.176%0.76176%0.759SS**  trans62.5141.1157.351.30000119.4
658N28.2Very low30.6Very low139 Ų139139 Ų13974%0.74377%0.767SS**  cis-162.5168.1-2.3-138-25.8000112.2
659V31Very low30.9Very low115 Ų115138.1 Ų138.170%0.69776%0.756SS**  trans63.9134.3154.9168.40000117.3
660R30Very low31.2Very low228 Ų228141.7 Ų141.786%0.8675%0.751SS**  cis-160.9147.9-6.1-117.3178.5-171.3165.7-0.1108.7
661P35.6Very low31.5Very low120 Ų120140.5 Ų140.578%0.77975%0.749SS**  trans-116.1165164.939.3-30.4000113.2
662N31.5Very low32Very low134 Ų134137.3 Ų137.372%0.71774%0.738SS**  trans-165159.9151.4-137.334.5000114.5
663D35.1Very low32.3Very low116 Ų116138 Ų13862%0.6274%0.743SS**  trans67.5142.1156.7-56.6-40000122.4
664Q33Very low32.5Very low133 Ų133135 Ų13562%0.62174%0.737SS**  cis-170.9164.8-36.1-122.5176.131.800111.4
665F31.7Very low32.7Very low178 Ų178135.3 Ų135.378%0.78174%0.738SS**  trans66.5152.9163.8-58.2-50.3000119.3
666V35Very low32.8Very low130 Ų130131.1 Ų131.179%0.78873%0.732SS**  cis-144.2158-6.7108.90000113.2
667L30.2Very low32.8Very low146 Ų146133.6 Ų133.676%0.76473%0.734SS**  trans-70.5153.8-178.2-65.8141000116.7
668H35.5Very low32.8Very low178 Ų178135.4 Ų135.482%0.82473%0.734SS**  -175173.3112.3-124.3-75.1000112.5
669D31.6Very low32.9Very low120 Ų120134.1 Ų134.164%0.64274%0.736SS**  -150.2177.7-97.7-171.526.4000111.1
670Q36.2Very low32.9Very low157 Ų157132.1 Ų132.173%0.73474%0.738SS**  trans78.5120.7172.8-52.9178.124.900115.5
671S33.3Very low33Very low113 Ų113126 Ų12679%0.7973%0.731SS**  cis86.4127.727.988.20000114.9
672G36.8Very low32.9Very low67 Ų67131.2 Ų131.269%0.69174%0.735SS**  cis174.9-167.9-3.200000113.5
673S34.1Very low32.7Very low118 Ų118136 Ų13683%0.82574%0.743SS**  trans52.1134.9140.469.80000120.1
674S36.4Very low32.7Very low97 Ų97134.1 Ų134.168%0.67874%0.743SS**  cis-165.5159.532-520000113.5
675S32Very low32.6Very low103 Ų103135.9 Ų135.972%0.7276%0.757SS**  51.3152128.772.10000123.5
676L30.8Very low32.6Very low135 Ų135131.3 Ų131.371%0.70776%0.76SS**  cis-162.8148.8-10.4-134.580.9000110.1
677F29.9Very low32.2Very low155 Ų155130.2 Ų130.268%0.6877%0.765SS**  trans66.1126.9140.6-84.1-152.7000125
678Q30.8Very low32.3Very low161 Ų161129.1 Ų129.175%0.75277%0.769SS**  62.9151.3121.6-64.6-172.210.600122.2
679S29.5Very low31.9Very low113 Ų113126.6 Ų126.679%0.7977%0.767SS**  cis-169.1144.5-16.6175.70000111.7
680G31.7Very low31.8Very low72 Ų72128.9 Ų128.974%0.74278%0.778SS**  trans78.2168.6162.300000117.2
681S32.7Very low31.3Very low100 Ų100127.3 Ų127.370%0.69978%0.779SS**  cis-166.5148.7-13.5-156.80000110.8
682R32.7Very low31.2Very low230 Ų230127.5 Ų127.587%0.86878%0.78SS**  trans66.8153.1160.5-69.4167.1-165.6-150.12.7117.2
683R28.6Very low30.8Very low235 Ų235129.9 Ų129.989%0.88778%0.781SS**  cis-166.3168.6-24.9-151.1-178.3-167.4-171.43.6108.9
684A35.3Very low30.7Very low76 Ų76130.4 Ų130.463%0.62878%0.779SS**  trans82.1114.7152.900000120.7
685N29.3Very low30.3Very low170 Ų170135.5 Ų135.591%0.90978%0.784SS**  53.5119.5125.2-53.37.4000121
686G32.3Very low30.4Very low82 Ų82141.7 Ų141.785%0.84579%0.791SS**  trans178112.2158.400000110.8
687A27.6Very low30.3Very low107 Ų107141.7 Ų141.788%0.88479%0.792SS**  trans-99.7137.4178.800000110.9
688S32.4Very low30.4Very low123 Ų123140.7 Ų140.786%0.8680%0.798SS**  trans-158.2147.2150.8-1610000111.7
689T26.2Very low30.4Very low125 Ų125138.1 Ų138.177%0.76780%0.798SS**  trans-78.8138.9176.8-56.30000110.6
690L30.2Very low30.7Very low167 Ų167138.1 Ų138.187%0.87480%0.795SS**  trans-151.1130.9154.4-112.4175.1000111.8
691V24.9Very low30.5Very low125 Ų125142.5 Ų142.576%0.75879%0.794SS**  trans-93.9136.4167.9173.30000108
692S32.1Very low30.3Very low116 Ų116149 Ų14981%0.81180%0.803SS**  trans-143.1139.2168.260.10000112.5
693T27.5Very low30.2Very low117 Ų117145 Ų14572%0.71880%0.795SS**  trans-97.4143.4-173.8-63.30000110.8R695T693-R695 HydrophobicContact CG2-CG 4.35Å
694V32.6Very low30.2Very low130 Ų130143.6 Ų143.679%0.78880%0.795SS**  trans-124.6103.4161.4-177.30000110.2
695R28.3Very low30.2Very low204 Ų204145.4 Ų145.477%0.7780%0.8SS**  trans-80.5155.2162.9-76.1178.4170157.5-6.4110T693T693-R695 HydrophobicContact CG2-CG 4.35Å
696R32.8Very low30.1Very low233 Ų233145.7 Ų145.788%0.87980%0.796SS**  trans-134.9144.9135.3-71.3-163.6175.695.41.7109.4
697N28.3Very low29.9Very low134 Ų134149.5 Ų149.572%0.71779%0.792SS**  trans-86.3-177.6179.9-52.1-27.1000109.1
698V33.6Very low30.1Very low134 Ų134150.5 Ų150.581%0.81278%0.782SS**  -163.3154.859.11660000110.3
699S29.1Very low29.9Very low107 Ų107150.9 Ų150.975%0.74877%0.774SS**  trans-128.5-178.1171.2-36.40000108.3
700P36.1Very low30.2Very low114 Ų114152.3 Ų152.374%0.7478%0.777SS**  cis-157.5173.648.343.9-21.1000120.2
701K27.3Very low30.3Very low163 Ų163152.3 Ų152.371%0.70977%0.773SS**  trans43.1129.1141.7-75.9-172.9157.7-145.10124.3E703K701-E703 IonicContact NZ-OE1 2.74Å; K701-E703 PolarHBondContact NZ-OE1 3.02Å
702R29.7Very low30.5Very low236 Ų236154.8 Ų154.889%0.89178%0.776SS**  -159.6120.3116.7-94.8169.8-177158.90.9106
703E29.7Very low30.6Very low148 Ų148153.4 Ų153.469%0.69276%0.764SS**  75.2122.366.8-80.2161.9-160.500114.5K701K701-E703 IonicContact NZ-OE1 2.74Å; K701-E703 PolarHBondContact NZ-OE1 3.02Å
704F28.8Very low30.5Very low205 Ų205154.9 Ų154.990%0.89977%0.767SS**  trans-107.6163.1-179.6-103.7-89.1000110
705P34.8Very low30.5Very low113 Ų113156.6 Ų156.673%0.73477%0.772SS**  trans-140.1175.9130.132.8-16000114.3
706E28Very low30.3Very low176 Ų176154 Ų15482%0.82277%0.772SS**  trans-72.8-175.2169.2-61.6127.4138.200111.4
707E27.7Very low30.1Very low163 Ų163146.8 Ų146.876%0.76276%0.758SS**  cis-166.7-177.422.8-153.1-179.7-168.800111.2
708L33Very low30.4Very low127 Ų127149 Ų14967%0.66576%0.761SS**  trans76.5103.8155.6-64.6161.1000121.8
709D28Very low30.4Very low131 Ų131151.9 Ų151.970%0.70176%0.763SS**  50.5124.2124.3-51.5-6.5000122.5
710N32.7Very low30.3Very low155 Ų155151.5 Ų151.583%0.82977%0.766SS**  -176.6157.593.5-98.3-82.3000114.5
711E30.5Very low30.2Very low167 Ų167152.4 Ų152.478%0.7877%0.769SS**  trans-49.8170.6169.1-57-64.5134.900115.2
712E30.9Very low30.1Very low177 Ų177154.5 Ų154.583%0.82777%0.774SS**  cis-150.6179.617.9-123.1-144.3109.600110.2
713P32.6Very low30.2Very low88 Ų88149.6 Ų149.657%0.57178%0.775SS**  trans-110.7177.9-160.843.2-38.6000118.1
714L26.3Very low30Very low147 Ų147147.9 Ų147.977%0.7777%0.774SS**  trans56.1119.2151.5-75.1163.5000120.3
715N31.7Very low30.2Very low167 Ų167147 Ų14789%0.89377%0.773SS**  -157.5149.8125.9-120.1-80.9000114.4
716L25.3Very low30.2Very low148 Ų148147 Ų14778%0.77578%0.776SS**  trans-106.3140175.9-79.8150.3000110
717S27.7Very low30.3Very low82 Ų82144 Ų14457%0.57378%0.775SS**  trans152.2153.1132.255.60000114.4
718K35.4Very low30.7Very low182 Ų182141.6 Ų141.679%0.79177%0.773SS**  trans70.9148.9168.8-50.5127.3-172.3154.90114
719K32.8Very low30.6Very low194 Ų194145 Ų14584%0.84378%0.782SS**  cis-152.4150.4-5.7-136.1175.2176.7-177.50109
720A27.6Very low30.8Very low98 Ų98146 Ų14681%0.8179%0.792SS**  trans-90.5141.9165.300000110.6
721T33.2Very low30.7Very low133 Ų133148.2 Ų148.282%0.81680%0.795SS**  trans-151147.9163.2-570000109.2
722Y26.1Very low30.6Very low208 Ų208146.6 Ų146.682%0.81680%0.796SS**  trans-77.2161.7179.5-81.7-118.9000113.6
723C30.5Very low30.9Very low133 Ų133144 Ų14490%0.89979%0.794SS**  trans-146.8153.1137.8-104.40000110.1
724T27.4Very low30.6Very low112 Ų112148.9 Ų148.969%0.68781%0.81SS**  trans-134.4178.3-175.145.30000111
725E31.5Very low31Very low186 Ų186151.5 Ų151.587%0.86982%0.815SS**  trans74.7148.6174.3-52.9-171162.900115.1
726S34.6Very low30.9Very low114 Ų114152.6 Ų152.680%0.79782%0.815SS**  cis-150.6172.6-9.7470000110.6
727S30.9Very low31.1Very low113 Ų113149.2 Ų149.279%0.7982%0.816SS**  trans-116.8162.6176.2-48.80000111.8
728P36.9Very low31.1Very low112 Ų112151 Ų15173%0.72782%0.823SS**  -153.6143.7110.335.6-17.1000118.8
729K29.3Very low30.8Very low199 Ų199153.2 Ų153.287%0.86583%0.828SS**  trans53.9115.2135.8-59.8170.4-177.8169.90121.2
730V32.3Very low30.5Very low150 Ų150149 Ų14991%0.90982%0.823SS**  trans-126.6154.3146.7179.20000109.3
731K32.1Very low30.7Very low203 Ų203150.1 Ų150.188%0.88382%0.819SS**  trans-87.3155.8-166.3-68.1175.3177.5173.50114.7
732V26.9Very low30.4Very low133 Ų133153.3 Ų153.381%0.80682%0.822SS**  trans-121.7135.1167.6177.10000109.7
733P37Very low30.6Very low122 Ų122148.1 Ų148.179%0.79282%0.816SS**  trans-89.2136.9167.233.9-30.7000111.7
734Q28.1Very low30.7Very low190 Ų190149 Ų14989%0.88881%0.807SS**  trans-86.1148.7175.9-64.9174.9-52.500112.2
735K34.8Very low30.8Very low202 Ų202153.1 Ų153.188%0.87881%0.81SS**  trans-149.6152140.3-114.6174-175.7-1800110.4
736Q27.9Very low30.9Very low191 Ų191153.1 Ų153.189%0.89381%0.807SS**  trans-86.4148.1-161.9-63.4125.3-49.600114.1
737G30.4Very low30.8Very low77 Ų77152.6 Ų152.679%0.79480%0.804SS**  trans-160100.8171.700000110.2
738V27.1Very low30.9Very low120 Ų120153 Ų15373%0.72780%0.801SS**  trans-73.3133.2-172.1172.60000111.7
739Y29.6Very low30.7Very low227 Ų227155 Ų15589%0.8981%0.805SS**  -172.3148.2120.1-99.5-67.1000111.4
740S25.9Very low31Very low106 Ų106151.1 Ų151.174%0.74180%0.798SS**  trans-102.4122.7-169-1730000113.2
741V31.3Very low30.7Very low122 Ų122149.6 Ų149.674%0.73979%0.794SS**  trans-142.577.9161.1-171.40000108.6
742K27.3Very low30.5Very low200 Ų200147.5 Ų147.587%0.8781%0.814SS**  trans-133.986.6176.4-91.7-170.3170.6-176.10111
743S30.3Very low30.6Very low99 Ų99148.2 Ų148.269%0.69282%0.815SS**SBendtrans-163.5-53.8171.345.40000113.9W745S743-W745 PolarHBondContact O-N 2.74Å
744E32.3Very low30.3Very low151 Ų151149.6 Ų149.671%0.70682%0.816SS**G310 helixtrans-78.7-12.8-156.4-67.8176.6130.500117.7
745W31.2Very low30.4Very low198 Ų198147.3 Ų147.375%0.7581%0.812SS**G310 helixtrans-95.710.6-166.7-7374.7000115.6S743S743-W745 PolarHBondContact O-N 2.74Å
746K33.4Very low30.2Very low187 Ų187144.1 Ų144.181%0.81381%0.808SS**G310 helixtrans-101.60.9-176.4-136.3-172.2-178.6-166.70115.3
747S32.5Very low30.3Very low103 Ų103141.2 Ų141.272%0.7280%0.803SS**SBendtrans-105.1-8.9-172.8-166.10000115.3
748T32.6Very low30.3Very low121 Ų121145.5 Ų145.574%0.74280%0.803SS**SBendtrans-104.81.3-172.8-32.10000113.3
749L32.9Very low30.5Very low155 Ų155147.3 Ų147.381%0.81281%0.809SS**SBendtrans-11533.8-177.8-91.4163.5000111.3
750T34.3Very low30.6Very low117 Ų117141.2 Ų141.272%0.71880%0.803SS**SBendtrans-148.725.3-175.2-34.40000111.6
751S27Very low31Very low118 Ų118144.1 Ų144.183%0.82581%0.808SS**  trans-143.219.1-179.9-173.60000112.1
752A27Very low31Very low158 Ų158146.1 Ų146.1100%1.30681%0.814SS**  trans-148.70169.300000105.9

Retrieved 752 of 752 residues in 452.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).