A0A3Q0KPC7_SCHMA Loading...

protein-histidine N-methyltransferase

AlphaFold DB , UniProt , Accession A0A3Q0KPC7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 498 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
1M36.2Very low61.4Low244 Ų244119.5 Ų119.5100%1.20264%0.635SS**  087.10-82.3179.5160.100108.6K3M1-K3 PolarHBondContact O-N 2.75Å
2C37.8Very low63.7Low131 Ų131118.8 Ų118.889%0.88562%0.617SS**  trans-70.5116.7169.3-74.30000107.6A4C2-A4 PolarHBondContact O-N 3.34Å
3K41.8Very low66Low191 Ų191118.4 Ų118.483%0.8361%0.61SS**  trans-61.4103.4167.1-76178.5176.3176.70106.4M1 N5M1-K3 PolarHBondContact O-N 2.75Å; K3-N5 PolarHBondContact O-N 2.93Å
4A53.8Low68.1Low94 Ų94111.5 Ų111.578%0.77758%0.576SS**  trans-57.3105.5166.200000106.8C2 K6C2-A4 PolarHBondContact O-N 3.34Å; A4-K6 PolarHBondContact O-N 2.98Å; A4-K6 VanDerWaalsContact O-N 3.09Å
5N57.3Low69.8Low137 Ų137105.7 Ų105.773%0.73355%0.548SS*.PPolyproline II helixtrans-59.3118177.2-83.4-25.3000107K3K3-N5 PolarHBondContact O-N 2.93Å
6K58.8Low71.3Confident179 Ų179107.6 Ų107.678%0.77855%0.554SS**PPolyproline II helixtrans-53.5128.9174.8-78.7-178.5179.3177.60107.5A4A4-K6 PolarHBondContact O-N 2.98Å; A4-K6 VanDerWaalsContact O-N 3.09Å
7P61.8Low72.8Confident31 Ų31106.5 Ų106.520%0.20154%0.544CS..PPolyproline II helixtrans-58.7145.3178.219.5-29.3000109.6V11 R12P7-V11 HydrophobicContact CB-CB 4.33Å; P7-V11 HydrophobicContact CB-CG1 4.29Å; P7-R12 HydrophobicContact CB-CG 4.33Å; P7-R12 HydrophobicContact CG-CG 3.93Å; P7-R12 PolarHBondContact O-NE 2.96Å
8D75.6Confident74.1Confident94 Ų94100.7 Ų100.750%0.50352%0.515SS..PPolyproline II helixtrans-52.6145.8176.1-173.311.2000109.9S10 V11 R12 N226D8-S10 PolarHBondContact O-N 2.75Å; D8-S10 VanDerWaalsContact O-N 3.16Å; D8-S10 PolarHBondContact OD2-OG 3.26Å; D8-V11 HydrophobicContact CB-CG2 4.16Å; D8-V11 WeakPolarHBondContact O-CB 3.45Å; D8-V11 PolarHBondContact O-N 2.96Å; D8-R12 PolarHBondContact O-N 3.46Å; D8-N226 PolarHBondContact N-OD1 3.46Å
9K74.9Confident75.3Confident157 Ų15797.1 Ų97.168%0.68350%0.5SS*.Hα-helixtrans-56.4-34.3-177.5-173.2-179.9177.5-175.60111.1Q13K9-Q13 WeakPolarHBondContact O-CG 3.46Å; K9-Q13 PolarHBondContact O-N 3.48Å
10S86.7Confident76.4Confident50 Ų5095.1 Ų95.135%0.3549%0.494SS..Hα-helixtrans-58.4-50173.658.90000112.2D8 R12 Q13 V14D8-S10 PolarHBondContact O-N 2.75Å; D8-S10 VanDerWaalsContact O-N 3.16Å; D8-S10 PolarHBondContact OD2-OG 3.26Å; S10-R12 VanDerWaalsContact C-N 3.35Å; S10-R12 PolarHBondContact O-N 3.45Å; S10-Q13 WeakPolarHBondContact O-CB 3.41Å; S10-Q13 PolarHBondContact O-N 3.32Å; S10-V14 WeakPolarHBondContact O-CG2 3.35Å; S10-V14 PolarHBondContact O-N 3.45Å; S10-V14 VanDerWaalsContact O-N 3.1Å
11V90.6Very high77.5Confident7 Ų790.7 Ų90.74%0.04247%0.472CS..Hα-helixtrans-62.9-40.8-178.7178.80000111.3P7 D8 Q13 V14 C15 N226 V228P7-V11 HydrophobicContact CB-CB 4.33Å; P7-V11 HydrophobicContact CB-CG1 4.29Å; D8-V11 HydrophobicContact CB-CG2 4.16Å; D8-V11 WeakPolarHBondContact O-CB 3.45Å; D8-V11 PolarHBondContact O-N 2.96Å; V11-Q13 VanDerWaalsContact C-N 3.31Å; V11-Q13 PolarHBondContact O-N 3.49Å; V11-V14 PolarHBondContact O-N 3.38Å; V11-C15 PolarHBondContact O-N 3.15Å; V11-C15 PolarHBondContact O-SG 3.23Å; V11-C15 VanDerWaalsContact O-SG 3.41Å; V11-N226 HydrophobicContact CG2-CB 3.67Å; V11-V228 HydrophobicContact CG1-CG2 4.06Å
12R89.2Confident80.4Confident110 Ų11079.3 Ų79.342%0.41542%0.416SS..Hα-helixtrans-59.4-43.8177.5-66-179.9-174.1-150.3-12.1111.7P7 D8 S10 V14 C15 E16P7-R12 HydrophobicContact CB-CG 4.33Å; P7-R12 HydrophobicContact CG-CG 3.93Å; P7-R12 PolarHBondContact O-NE 2.96Å; D8-R12 PolarHBondContact O-N 3.46Å; S10-R12 VanDerWaalsContact C-N 3.35Å; S10-R12 PolarHBondContact O-N 3.45Å; R12-V14 VanDerWaalsContact C-N 3.34Å; R12-V14 PolarHBondContact O-N 3.29Å; R12-C15 PolarHBondContact O-N 2.85Å; R12-E16 WeakPolarHBondContact O-CB 3.25Å; R12-E16 WeakPolarHBondContact O-CG 3.24Å; R12-E16 PolarHBondContact O-N 3.02Å
13Q93.4Very high83.3Confident114 Ų11478.3 Ų78.353%0.53340%0.398SS..Hα-helixtrans-63.9-40.2177.3-67.9174-26.500111.6K9 S10 V11 K17K9-Q13 WeakPolarHBondContact O-CG 3.46Å; K9-Q13 PolarHBondContact O-N 3.48Å; S10-Q13 WeakPolarHBondContact O-CB 3.41Å; S10-Q13 PolarHBondContact O-N 3.32Å; V11-Q13 VanDerWaalsContact C-N 3.31Å; V11-Q13 PolarHBondContact O-N 3.49Å; Q13-K17 WeakPolarHBondContact O-CB 3.25Å; Q13-K17 PolarHBondContact O-N 3.04Å
14V95.3Very high86Confident22 Ų2274.5 Ų74.513%0.13338%0.382CS..Hα-helixtrans-62.5-45.2174.9172.60000111S10 V11 R12 T18 V56 Q57 V228S10-V14 WeakPolarHBondContact O-CG2 3.35Å; S10-V14 PolarHBondContact O-N 3.45Å; S10-V14 VanDerWaalsContact O-N 3.1Å; V11-V14 PolarHBondContact O-N 3.38Å; R12-V14 VanDerWaalsContact C-N 3.34Å; R12-V14 PolarHBondContact O-N 3.29Å; V14-T18 WeakPolarHBondContact O-CB 3.48Å; V14-T18 PolarHBondContact O-N 2.98Å; V14-T18 PolarHBondContact O-OG1 2.73Å; V14-V56 HydrophobicContact CG1-CG1 4.15Å; V14-Q57 HydrophobicContact CG1-CG 4.42Å; V14-V228 HydrophobicContact CG1-CG1 3.93Å; V14-V228 HydrophobicContact CG1-CG2 4Å
15C93.7Very high88.1Confident24 Ų2470 Ų7016%0.16235%0.345CS..Hα-helixtrans-65.2-43.2177.7-71.20000112.6V11 R12 T18 S19V11-C15 PolarHBondContact O-N 3.15Å; V11-C15 PolarHBondContact O-SG 3.23Å; V11-C15 VanDerWaalsContact O-SG 3.41Å; R12-C15 PolarHBondContact O-N 2.85Å; C15-T18 PolarHBondContact O-N 3.27Å; C15-S19 WeakPolarHBondContact O-CB 3.36Å; C15-S19 PolarHBondContact O-N 3.26Å
16E94.3Very high90Very high137 Ų13765.7 Ų65.764%0.6432%0.321SS*.Hα-helixtrans-62-48176.9-75.4169.7-171.700111.3R12 S19 S20R12-E16 WeakPolarHBondContact O-CB 3.25Å; R12-E16 WeakPolarHBondContact O-CG 3.24Å; R12-E16 PolarHBondContact O-N 3.02Å; E16-S19 PolarHBondContact O-N 3.27Å; E16-S20 PolarHBondContact O-N 2.9Å; E16-S20 VanDerWaalsContact O-N 3.08Å
17K96.4Very high91.9Very high88 Ų8862.8 Ų62.838%0.38331%0.31SS..Hα-helixtrans-65.8-42178-172.5170.9179.8-1660111.7Q13 S19 S20 L21 E52 V56Q13-K17 WeakPolarHBondContact O-CB 3.25Å; Q13-K17 PolarHBondContact O-N 3.04Å; K17-S19 VanDerWaalsContact C-N 3.34Å; K17-S19 PolarHBondContact O-N 2.89Å; K17-S20 PolarHBondContact O-N 3.17Å; K17-L21 HydrophobicContact CG-CD1 4.14Å; K17-L21 WeakPolarHBondContact O-CG 3.29Å; K17-L21 PolarHBondContact O-N 3.03Å; K17-E52 VanDerWaalsContact CE-OE1 3.25Å; K17-E52 WeakPolarHBondContact CE-OE1 3.2Å; K17-E52 IonicContact NZ-OE1 2.67Å; K17-E52 PolarHBondContact NZ-OE1 2.58Å; K17-E52 VanDerWaalsContact NZ-OE1 3.11Å; K17-V56 HydrophobicContact CB-CG1 4.11Å; K17-V56 HydrophobicContact CD-CG1 4.12Å; K17-V56 HydrophobicContact CD-CG2 3.51Å; K17-V56 VanDerWaalsContact CE-CG2 3.48Å; K17-V56 HydrophobicContact CG-CG1 4.15Å; K17-V56 HydrophobicContact CG-CG2 4.06Å
18T96.9Very high93.6Very high2 Ų264.4 Ų64.41%0.01231%0.314CS..Hα-helixtrans-56.9-47.9173.5-680000111V14 C15 S20 L21 S22 Q57 C212 I216V14-T18 WeakPolarHBondContact O-CB 3.48Å; V14-T18 PolarHBondContact O-N 2.98Å; V14-T18 PolarHBondContact O-OG1 2.73Å; C15-T18 PolarHBondContact O-N 3.27Å; T18-S20 VanDerWaalsContact C-N 3.35Å; T18-S20 PolarHBondContact O-N 3.08Å; T18-L21 PolarHBondContact O-N 3.42Å; T18-S22 VanDerWaalsContact O-CB 3.23Å; T18-S22 WeakPolarHBondContact O-CB 3.28Å; T18-S22 PolarHBondContact O-N 2.76Å; T18-Q57 PolarHBondContact OG1-NE2 2.8Å; T18-C212 VanDerWaalsContact CG2-SG 3.53Å; T18-I216 HydrophobicContact CG2-CD1 4.23Å
19S96.3Very high94.7Very high33 Ų3360.1 Ų60.123%0.23129%0.291CS..Hα-helixtrans-58.9-46.4179.7-167.90000111.2C15 E16 K17 L21 S22 E23C15-S19 WeakPolarHBondContact O-CB 3.36Å; C15-S19 PolarHBondContact O-N 3.26Å; E16-S19 PolarHBondContact O-N 3.27Å; K17-S19 VanDerWaalsContact C-N 3.34Å; K17-S19 PolarHBondContact O-N 2.89Å; S19-L21 PolarHBondContact O-N 3.35Å; S19-S22 PolarHBondContact O-N 3.5Å; S19-E23 WeakPolarHBondContact O-CG 3.39Å; S19-E23 PolarHBondContact O-N 2.63Å
20S97.6Very high95.8Very high56 Ų5657.7 Ų57.739%0.39229%0.285SS..Hα-helixtrans-62.8-42.9178.7-177.90000112.7E16 K17 T18 K24E16-S20 PolarHBondContact O-N 2.9Å; E16-S20 VanDerWaalsContact O-N 3.08Å; K17-S20 PolarHBondContact O-N 3.17Å; T18-S20 VanDerWaalsContact C-N 3.35Å; T18-S20 PolarHBondContact O-N 3.08Å; S20-K24 WeakPolarHBondContact O-CG 3.29Å; S20-K24 PolarHBondContact O-N 2.71Å
21L98.3Very high96.3Very high4 Ų461 Ų612%0.02130%0.299CS..Hα-helixtrans-68.7-38.3177.7-69.5171.1000112.1K17 T18 S19 K24 L25 L49 E52 I53 V56K17-L21 HydrophobicContact CG-CD1 4.14Å; K17-L21 WeakPolarHBondContact O-CG 3.29Å; K17-L21 PolarHBondContact O-N 3.03Å; T18-L21 PolarHBondContact O-N 3.42Å; S19-L21 PolarHBondContact O-N 3.35Å; L21-K24 PolarHBondContact O-N 3.01Å; L21-L25 WeakPolarHBondContact O-CB 3.47Å; L21-L25 PolarHBondContact O-N 3.13Å; L21-L49 HydrophobicContact CD2-CD2 4.48Å; L21-E52 HydrophobicContact CD1-CB 4.23Å; L21-E52 HydrophobicContact CD1-CG 3.81Å; L21-E52 VanDerWaalsContact CD2-CD 3.48Å; L21-E52 HydrophobicContact CD2-CG 4.24Å; L21-E52 VanDerWaalsContact CD2-OE2 3.31Å; L21-E52 WeakPolarHBondContact CD2-OE2 3.34Å; L21-I53 HydrophobicContact CB-CD1 4.01Å; L21-I53 HydrophobicContact CB-CG1 3.49Å; L21-I53 VanDerWaalsContact CB-CG1 3.49Å; L21-I53 HydrophobicContact CD1-CG1 3.94Å; L21-I53 HydrophobicContact CG-CG1 4.34Å; L21-V56 HydrophobicContact CD1-CG2 4.15Å
22S97.9Very high96.6Very high5 Ų562 Ų624%0.03531%0.306CS..Hα-helixtrans-65.8-36.6177.5-179.60000112.3T18 S19 L25 M26 S209T18-S22 VanDerWaalsContact O-CB 3.23Å; T18-S22 WeakPolarHBondContact O-CB 3.28Å; T18-S22 PolarHBondContact O-N 2.76Å; S19-S22 PolarHBondContact O-N 3.5Å; S22-L25 PolarHBondContact O-N 2.95Å; S22-M26 PolarHBondContact O-N 3.05Å; S22-S209 PolarHBondContact O-OG 3.15Å; S22-S209 WeakPolarHBondContact OG-CA 3.23Å; S22-S209 WeakPolarHBondContact OG-CB 3.33Å; S22-S209 PolarHBondContact OG-OG 3.37Å
23E97.8Very high97Very high110 Ų11062 Ų6251%0.51432%0.318SS..Hα-helixtrans-64.1-44.1172.9-74.7178.5164.100111.7S19 L25 M26 E27S19-E23 WeakPolarHBondContact O-CG 3.39Å; S19-E23 PolarHBondContact O-N 2.63Å; E23-L25 VanDerWaalsContact C-N 3.32Å; E23-L25 PolarHBondContact O-N 3.21Å; E23-M26 PolarHBondContact O-N 2.95Å; E23-E27 PolarHBondContact O-N 3.42Å
24K98.4Very high97.1Very high110 Ų11058.3 Ų58.348%0.47830%0.302SS..Hα-helixtrans-61.4-40173.4-69.1174.2-178.1176.90112.3S20 L21 E27 K28 L49S20-K24 WeakPolarHBondContact O-CG 3.29Å; S20-K24 PolarHBondContact O-N 2.71Å; L21-K24 PolarHBondContact O-N 3.01Å; K24-E27 PolarHBondContact O-N 2.97Å; K24-K28 WeakPolarHBondContact O-CB 3.16Å; K24-K28 PolarHBondContact O-N 3.46Å; K24-L49 HydrophobicContact CB-CD1 4.5Å; K24-L49 HydrophobicContact CB-CD2 4.18Å
25L98.6Very high97Very high0 Ų060 Ų600%031%0.312CS..Hα-helixtrans-62.4-47.6176.4-176.762.1000110.8L21 S22 E23 K28 C29 L46 L49 T50 I53 C205 Y208 S209L21-L25 WeakPolarHBondContact O-CB 3.47Å; L21-L25 PolarHBondContact O-N 3.13Å; S22-L25 PolarHBondContact O-N 2.95Å; E23-L25 VanDerWaalsContact C-N 3.32Å; E23-L25 PolarHBondContact O-N 3.21Å; L25-K28 PolarHBondContact O-N 3.38Å; L25-C29 PolarHBondContact O-N 3.22Å; L25-C29 PolarHBondContact O-SG 3.08Å; L25-L46 HydrophobicContact CD1-CD2 3.85Å; L25-L49 HydrophobicContact CB-CD1 4.33Å; L25-L49 HydrophobicContact CD1-CB 3.99Å; L25-L49 HydrophobicContact CD1-CD1 4.13Å; L25-T50 HydrophobicContact CD1-CG2 4.15Å; L25-T50 HydrophobicContact CD2-CG2 3.89Å; L25-I53 HydrophobicContact CD2-CD1 3.94Å; L25-C205 HydrophobicContact CD1-CB 3.89Å; L25-C205 HydrophobicContact CD2-CB 3.9Å; L25-C205 HydrophobicContact CG-CB 3.9Å; L25-Y208 HydrophobicContact CD2-CD1 4.33Å; L25-S209 WeakPolarHBondContact CD2-OG 3.34Å
26M98.2Very high96.8Very high47 Ų4763.2 Ų63.223%0.23234%0.335CS..Hα-helixtrans-59.8-47.5175.8-179.763.481.400111.9S22 E23 K28 C29 L30 R206S22-M26 PolarHBondContact O-N 3.05Å; E23-M26 PolarHBondContact O-N 2.95Å; M26-K28 VanDerWaalsContact C-N 3.33Å; M26-K28 PolarHBondContact O-N 3.12Å; M26-C29 WeakPolarHBondContact O-CB 3.39Å; M26-C29 PolarHBondContact O-N 2.97Å; M26-L30 HydrophobicContact CG-CD1 4.06Å; M26-L30 HydrophobicContact CG-CG 4.47Å; M26-L30 WeakPolarHBondContact O-CG 3.25Å; M26-L30 PolarHBondContact O-N 3.27Å; M26-L30 HydrophobicContact SD-CD1 4.28Å; M26-L30 HydrophobicContact SD-CG 4.24Å; M26-R206 VanDerWaalsContact CE-O 3.31Å; M26-R206 WeakPolarHBondContact CE-O 3.45Å; M26-R206 HydrophobicContact SD-CB 4.4Å; M26-R206 HydrophobicContact SD-CG 4.23Å
27E98.3Very high96.7Very high117 Ų11763 Ų6355%0.54734%0.343SS..Hα-helixtrans-57.1-46.8177-178-178.3-179.500111.3E23 K24 C29 L30 N31E23-E27 PolarHBondContact O-N 3.42Å; K24-E27 PolarHBondContact O-N 2.97Å; E27-C29 VanDerWaalsContact C-N 3.32Å; E27-C29 PolarHBondContact O-N 2.99Å; E27-L30 PolarHBondContact O-N 2.89Å; E27-N31 WeakPolarHBondContact CG-ND2 3.44Å; E27-N31 WeakPolarHBondContact O-CB 3.43Å; E27-N31 PolarHBondContact O-N 3.37Å; E27-N31 PolarHBondContact O-ND2 3.17Å
28K98.1Very high96.7Very high65 Ų6560.9 Ų60.928%0.28334%0.336SS..Hα-helixtrans-60.3-42.5177.2-174.6164.3-176.454.10112K24 L25 M26 N31 S32 G45 L46 L49K24-K28 WeakPolarHBondContact O-CB 3.16Å; K24-K28 PolarHBondContact O-N 3.46Å; L25-K28 PolarHBondContact O-N 3.38Å; M26-K28 VanDerWaalsContact C-N 3.33Å; M26-K28 PolarHBondContact O-N 3.12Å; K28-N31 PolarHBondContact O-N 3.41Å; K28-S32 WeakPolarHBondContact O-CB 3.43Å; K28-S32 PolarHBondContact O-N 2.79Å; K28-S32 PolarHBondContact O-OG 2.85Å; K28-G45 VanDerWaalsContact CE-CA 3.42Å; K28-L46 HydrophobicContact CD-CD2 4.22Å; K28-L46 HydrophobicContact CG-CD2 4.09Å; K28-L49 HydrophobicContact CB-CD1 4.3Å; K28-L49 HydrophobicContact CD-CD1 3.93Å
29C98.2Very high96.8Very high4 Ų460.8 Ų60.83%0.02734%0.335CS..Hα-helixtrans-63.5-40.1176.8-66.10000112.7L25 M26 E27 L202 C205 R206L25-C29 PolarHBondContact O-N 3.22Å; L25-C29 PolarHBondContact O-SG 3.08Å; M26-C29 WeakPolarHBondContact O-CB 3.39Å; M26-C29 PolarHBondContact O-N 2.97Å; E27-C29 VanDerWaalsContact C-N 3.32Å; E27-C29 PolarHBondContact O-N 2.99Å; C29-L202 HydrophobicContact CB-CD2 3.94Å; C29-L202 HydrophobicContact CB-CG 3.94Å; C29-C205 VanDerWaalsContact SG-CB 3.56Å; C29-R206 HydrophobicContact CB-CG 3.27Å
30L97.5Very high96.8Very high106 Ų10661.2 Ų61.256%0.55534%0.335SS*.Hα-helixtrans-70.9-31.3179.9-68.3173.6000112.7M26 E27M26-L30 HydrophobicContact CG-CD1 4.06Å; M26-L30 HydrophobicContact CG-CG 4.47Å; M26-L30 WeakPolarHBondContact O-CG 3.25Å; M26-L30 PolarHBondContact O-N 3.27Å; M26-L30 HydrophobicContact SD-CD1 4.28Å; M26-L30 HydrophobicContact SD-CG 4.24Å; E27-L30 PolarHBondContact O-N 2.89Å
31N97.2Very high96.8Very high121 Ų12165 Ų6565%0.64735%0.346SS*.THydrogen-bonded Turntrans-92.31-177.4-67.1-24.4000113.9E27 K28E27-N31 WeakPolarHBondContact CG-ND2 3.44Å; E27-N31 WeakPolarHBondContact O-CB 3.43Å; E27-N31 PolarHBondContact O-N 3.37Å; E27-N31 PolarHBondContact O-ND2 3.17Å; K28-N31 PolarHBondContact O-N 3.41Å
32S97Very high96.8Very high26 Ų2665.4 Ų65.418%0.18235%0.348CS..  trans-97.1127.2-177.4-660000111.8K28K28-S32 WeakPolarHBondContact O-CB 3.43Å; K28-S32 PolarHBondContact O-N 2.79Å; K28-S32 PolarHBondContact O-OG 2.85Å
33T96.7Very high96.8Very high111 Ų11165.2 Ų65.268%0.68135%0.347SS*.  trans-111.1116.9165-60.30000108.7N38 I42T33-N38 PolarHBondContact O-ND2 3.29Å; T33-I42 WeakPolarHBondContact O-CD1 3.42Å
34I96.5Very high96.9Very high37 Ų3766.1 Ų66.119%0.1935%0.346CS..  trans-83.1134.3-174.5-60.2165.8000109.9A39 I42 E195 V198 L202I34-A39 HydrophobicContact CG2-CB 3.97Å; I34-I42 HydrophobicContact CB-CD1 4.47Å; I34-I42 HydrophobicContact CG1-CD1 3.94Å; I34-I42 HydrophobicContact CG1-CG2 4.49Å; I34-E195 HydrophobicContact CG2-CB 4.29Å; I34-E195 HydrophobicContact CG2-CG 4.31Å; I34-V198 HydrophobicContact CD1-CB 4.34Å; I34-V198 HydrophobicContact CD1-CG1 3.88Å; I34-V198 HydrophobicContact CG1-CG1 4.16Å; I34-V198 HydrophobicContact CG2-CB 4.49Å; I34-V198 HydrophobicContact CG2-CG1 4.48Å; I34-L202 HydrophobicContact CD1-CB 4.49Å; I34-L202 HydrophobicContact CD1-CD1 4.03Å; I34-L202 HydrophobicContact CG1-CD1 4.47Å
35T93.9Very high96.9Very high56 Ų5661.9 Ų61.934%0.34433%0.333SS..  trans-141161.9174670000108.9V37 N38 A39T35-V37 PolarHBondContact O-N 3.07Å; T35-V37 PolarHBondContact OG1-N 3.25Å; T35-N38 PolarHBondContact N-OD1 2.91Å; T35-N38 PolarHBondContact O-N 3.22Å; T35-N38 PolarHBondContact O-OD1 3.49Å; T35-N38 VanDerWaalsContact O-OD1 3.11Å; T35-N38 PolarHBondContact OG1-N 3.18Å; T35-N38 PolarHBondContact OG1-OD1 3.39Å; T35-A39 VanDerWaalsContact O-CB 3.3Å; T35-A39 WeakPolarHBondContact O-CB 3.37Å; T35-A39 PolarHBondContact O-N 3.23Å
36S88.8Confident96.9Very high93 Ų9361.9 Ų61.965%0.6533%0.333SS*.THydrogen-bonded Turntrans-53.3-27174.157.30000114.6E195S36-E195 WeakPolarHBondContact CA-OE1 3.33Å; S36-E195 VanDerWaalsContact CB-OE1 3.31Å; S36-E195 WeakPolarHBondContact CB-OE1 3.29Å; S36-E195 PolarHBondContact N-OE1 3.32Å
37V92.6Very high96.9Very high133 Ų13360.9 Ų60.981%0.80633%0.328SS*.THydrogen-bonded Turntrans-83-37.7-177-178.60000112.3T35T35-V37 PolarHBondContact O-N 3.07Å; T35-V37 PolarHBondContact OG1-N 3.25Å
38N96.5Very high96.9Very high43 Ų4359 Ų5923%0.2333%0.328CS..THydrogen-bonded Turntrans-108.6-4.7-171.771.7-0.7000114.3T33 T35 I40 E41 I42T33-N38 PolarHBondContact O-ND2 3.29Å; T35-N38 PolarHBondContact N-OD1 2.91Å; T35-N38 PolarHBondContact O-N 3.22Å; T35-N38 PolarHBondContact O-OD1 3.49Å; T35-N38 VanDerWaalsContact O-OD1 3.11Å; T35-N38 PolarHBondContact OG1-N 3.18Å; T35-N38 PolarHBondContact OG1-OD1 3.39Å; N38-I40 PolarHBondContact O-N 2.61Å; N38-E41 WeakPolarHBondContact O-CB 3.43Å; N38-E41 PolarHBondContact O-N 3.32Å; N38-E41 VanDerWaalsContact O-N 3.07Å; N38-I42 HydrophobicContact CB-CD1 4.45Å; N38-I42 WeakPolarHBondContact O-CG1 3.17Å; N38-I42 PolarHBondContact O-N 2.83Å
39A97.7Very high96.9Very high0 Ų057.1 Ų57.10%032%0.321CS..Hα-helixtrans-54.1-48.2-174.100000112.8I34 T35 E41 I42 L43 I194 V198I34-A39 HydrophobicContact CG2-CB 3.97Å; T35-A39 VanDerWaalsContact O-CB 3.3Å; T35-A39 WeakPolarHBondContact O-CB 3.37Å; T35-A39 PolarHBondContact O-N 3.23Å; A39-E41 VanDerWaalsContact C-N 3.32Å; A39-E41 PolarHBondContact O-N 3.38Å; A39-I42 PolarHBondContact O-N 3.18Å; A39-L43 PolarHBondContact O-N 3.1Å; A39-I194 HydrophobicContact CB-CG2 3.7Å; A39-V198 HydrophobicContact CB-CB 4.34Å; A39-V198 HydrophobicContact CB-CG2 3.99Å; A39-V198 WeakPolarHBondContact O-CG1 3.2Å; A39-V198 WeakPolarHBondContact O-CG2 3.49Å
40I97.5Very high96.9Very high42 Ų4257 Ų5722%0.21532%0.32CS..Hα-helixtrans-63.5-37.3179.6-63.3177.9000111.7N38 L43 R44 V182 V185 I194N38-I40 PolarHBondContact O-N 2.61Å; I40-L43 PolarHBondContact O-N 3.27Å; I40-R44 WeakPolarHBondContact O-CB 3.38Å; I40-R44 PolarHBondContact O-N 2.97Å; I40-V182 HydrophobicContact CG2-CG1 3.97Å; I40-V185 HydrophobicContact CG1-CG1 4.39Å; I40-I194 HydrophobicContact CD1-CD1 4.34Å; I40-I194 HydrophobicContact CG1-CG2 4.06Å
41E97.6Very high97Very high135 Ų13555.4 Ų55.463%0.63132%0.317SS*.Hα-helixtrans-67.8-42.9177.3-173.7-174.5173.500111.6N38 A39 L43 R44 G45N38-E41 WeakPolarHBondContact O-CB 3.43Å; N38-E41 PolarHBondContact O-N 3.32Å; N38-E41 VanDerWaalsContact O-N 3.07Å; A39-E41 VanDerWaalsContact C-N 3.32Å; A39-E41 PolarHBondContact O-N 3.38Å; E41-L43 VanDerWaalsContact C-N 3.34Å; E41-L43 PolarHBondContact O-N 3.37Å; E41-R44 PolarHBondContact O-N 3.38Å; E41-G45 PolarHBondContact O-N 3.31Å; E41-G45 VanDerWaalsContact O-N 3.12Å
42I98.3Very high97Very high13 Ų1353.2 Ų53.27%0.06730%0.303CS..Hα-helixtrans-59-48.7174-69.5169.8000109.6T33 I34 N38 A39 R44 G45 L46 V198T33-I42 WeakPolarHBondContact O-CD1 3.42Å; I34-I42 HydrophobicContact CB-CD1 4.47Å; I34-I42 HydrophobicContact CG1-CD1 3.94Å; I34-I42 HydrophobicContact CG1-CG2 4.49Å; N38-I42 HydrophobicContact CB-CD1 4.45Å; N38-I42 WeakPolarHBondContact O-CG1 3.17Å; N38-I42 PolarHBondContact O-N 2.83Å; A39-I42 PolarHBondContact O-N 3.18Å; I42-R44 PolarHBondContact O-N 2.95Å; I42-G45 PolarHBondContact O-N 2.95Å; I42-L46 HydrophobicContact CG2-CD1 3.95Å; I42-L46 HydrophobicContact CG2-CG 4.36Å; I42-L46 WeakPolarHBondContact O-CG 3.16Å; I42-L46 PolarHBondContact O-N 3.2Å; I42-V198 HydrophobicContact CB-CG1 4.15Å; I42-V198 HydrophobicContact CG2-CG1 3.82Å
43L98.4Very high97.1Very high1 Ų152 Ų521%0.00529%0.294CS..Hα-helixtrans-57-48.1178-176.862.5000111.8A39 I40 E41 G45 L46 Q47 V182 V185 V198 Y201A39-L43 PolarHBondContact O-N 3.1Å; I40-L43 PolarHBondContact O-N 3.27Å; E41-L43 VanDerWaalsContact C-N 3.34Å; E41-L43 PolarHBondContact O-N 3.37Å; L43-G45 VanDerWaalsContact C-N 3.26Å; L43-G45 PolarHBondContact O-N 3.45Å; L43-L46 PolarHBondContact O-N 3.41Å; L43-L46 VanDerWaalsContact O-N 3.09Å; L43-Q47 HydrophobicContact CD1-CG 4.02Å; L43-Q47 HydrophobicContact CG-CG 4.24Å; L43-Q47 WeakPolarHBondContact O-CB 3.49Å; L43-Q47 WeakPolarHBondContact O-CG 3.41Å; L43-Q47 PolarHBondContact O-N 3.2Å; L43-V182 HydrophobicContact CD2-CG2 4.38Å; L43-V182 HydrophobicContact CG-CG2 4.26Å; L43-V185 HydrophobicContact CD2-CB 3.99Å; L43-V185 HydrophobicContact CD2-CG1 4.07Å; L43-V185 HydrophobicContact CD2-CG2 3.66Å; L43-V198 HydrophobicContact CB-CG1 4.26Å; L43-V198 HydrophobicContact CB-CG2 3.79Å; L43-V198 HydrophobicContact CD1-CG2 4.47Å; L43-V198 HydrophobicContact CD2-CG2 4.23Å; L43-V198 HydrophobicContact CG-CG2 4.38Å; L43-Y201 HydrophobicContact CD1-CD1 4.04Å; L43-Y201 HydrophobicContact CD1-CD2 4.18Å; L43-Y201 HydrophobicContact CD1-CG 3.85Å
44R98.5Very high97.1Very high129 Ų12948.5 Ų48.549%0.48727%0.271SS..Hα-helixtrans-54.8-44.9178.2-174.9-177.5-62114.53.8111.8I40 E41 I42 S48 V182I40-R44 WeakPolarHBondContact O-CB 3.38Å; I40-R44 PolarHBondContact O-N 2.97Å; E41-R44 PolarHBondContact O-N 3.38Å; I42-R44 PolarHBondContact O-N 2.95Å; R44-S48 WeakPolarHBondContact O-CB 3.48Å; R44-S48 PolarHBondContact O-N 3.45Å; R44-V182 HydrophobicContact CB-CG2 3.78Å; R44-V182 HydrophobicContact CG-CG2 4.25Å
45G98.3Very high97.2Very high21 Ų2153.2 Ų53.222%0.21629%0.291CS..Hα-helixtrans-71.4-32.4179.100000113.8K28 E41 I42 L43 L49K28-G45 VanDerWaalsContact CE-CA 3.42Å; E41-G45 PolarHBondContact O-N 3.31Å; E41-G45 VanDerWaalsContact O-N 3.12Å; I42-G45 PolarHBondContact O-N 2.95Å; L43-G45 VanDerWaalsContact C-N 3.26Å; L43-G45 PolarHBondContact O-N 3.45Å; G45-L49 PolarHBondContact O-N 2.9Å
46L98.7Very high97.3Very high0 Ų051.6 Ų51.60%028%0.281CS..Hα-helixtrans-67.4-47.3171.9-67.1172.5000110.8L25 K28 I42 L43 S48 L49 T50 Y201 L202L25-L46 HydrophobicContact CD1-CD2 3.85Å; K28-L46 HydrophobicContact CD-CD2 4.22Å; K28-L46 HydrophobicContact CG-CD2 4.09Å; I42-L46 HydrophobicContact CG2-CD1 3.95Å; I42-L46 HydrophobicContact CG2-CG 4.36Å; I42-L46 WeakPolarHBondContact O-CG 3.16Å; I42-L46 PolarHBondContact O-N 3.2Å; L43-L46 PolarHBondContact O-N 3.41Å; L43-L46 VanDerWaalsContact O-N 3.09Å; L46-S48 VanDerWaalsContact C-N 3.34Å; L46-S48 PolarHBondContact O-N 3.39Å; L46-L49 PolarHBondContact O-N 3.04Å; L46-T50 WeakPolarHBondContact O-CG2 3.35Å; L46-T50 PolarHBondContact O-N 3.25Å; L46-T50 PolarHBondContact O-OG1 3.01Å; L46-Y201 HydrophobicContact CB-CD1 3.98Å; L46-Y201 HydrophobicContact CB-CE1 3.91Å; L46-Y201 HydrophobicContact CD1-CD1 4.11Å; L46-L202 HydrophobicContact CD1-CB 3.87Å; L46-L202 HydrophobicContact CD1-CG 4.34Å
47Q98.4Very high97.7Very high25 Ų2547.2 Ų47.212%0.11725%0.25CS..Hα-helixtrans-63-37.9178.5-73.5-170.5-1300112.4L43 L49 T50 S51 M180 V182 Y201L43-Q47 HydrophobicContact CD1-CG 4.02Å; L43-Q47 HydrophobicContact CG-CG 4.24Å; L43-Q47 WeakPolarHBondContact O-CB 3.49Å; L43-Q47 WeakPolarHBondContact O-CG 3.41Å; L43-Q47 PolarHBondContact O-N 3.2Å; Q47-L49 VanDerWaalsContact C-N 3.28Å; Q47-L49 PolarHBondContact O-N 3.44Å; Q47-T50 WeakPolarHBondContact CA-OG1 3.49Å; Q47-T50 PolarHBondContact O-N 3.48Å; Q47-T50 PolarHBondContact O-OG1 2.93Å; Q47-S51 VanDerWaalsContact O-CB 3.23Å; Q47-S51 WeakPolarHBondContact O-CB 3.35Å; Q47-S51 PolarHBondContact O-N 3.18Å; Q47-S51 PolarHBondContact O-OG 3Å; Q47-M180 PolarHBondContact NE2-O 3.25Å; Q47-V182 VanDerWaalsContact OE1-CG2 3.26Å; Q47-V182 VanDerWaalsContact OE1-N 3.14Å; Q47-Y201 HydrophobicContact CG-CE1 4.17Å; Q47-Y201 HydrophobicContact CG-CE2 4.36Å
48S98.4Very high97.8Very high79 Ų7946.2 Ų46.255%0.55224%0.235SC*.Hα-helixtrans-57.6-41.8174-177.10000112.3R44 L46 E52R44-S48 WeakPolarHBondContact O-CB 3.48Å; R44-S48 PolarHBondContact O-N 3.45Å; L46-S48 VanDerWaalsContact C-N 3.34Å; L46-S48 PolarHBondContact O-N 3.39Å; S48-E52 PolarHBondContact O-N 3.44Å
49L98.6Very high97.7Very high25 Ų2551.3 Ų51.313%0.13126%0.257CS..Hα-helixtrans-73.6-43.3179.2-73.4169.6000111.6L21 K24 L25 K28 G45 L46 Q47 E52 I53L21-L49 HydrophobicContact CD2-CD2 4.48Å; K24-L49 HydrophobicContact CB-CD1 4.5Å; K24-L49 HydrophobicContact CB-CD2 4.18Å; L25-L49 HydrophobicContact CB-CD1 4.33Å; L25-L49 HydrophobicContact CD1-CB 3.99Å; L25-L49 HydrophobicContact CD1-CD1 4.13Å; K28-L49 HydrophobicContact CB-CD1 4.3Å; K28-L49 HydrophobicContact CD-CD1 3.93Å; G45-L49 PolarHBondContact O-N 2.9Å; L46-L49 PolarHBondContact O-N 3.04Å; Q47-L49 VanDerWaalsContact C-N 3.28Å; Q47-L49 PolarHBondContact O-N 3.44Å; L49-E52 PolarHBondContact O-N 3.24Å; L49-I53 VanDerWaalsContact O-CG1 3.28Å; L49-I53 WeakPolarHBondContact O-CG1 3.38Å; L49-I53 PolarHBondContact O-N 3.01Å
50T98.5Very high97.6Very high1 Ų153.2 Ų53.21%0.00627%0.266CS..Hα-helixtrans-67.5-39.2179.2570000111.6L25 L46 Q47 E52 I53 I54 Y201 F231L25-T50 HydrophobicContact CD1-CG2 4.15Å; L25-T50 HydrophobicContact CD2-CG2 3.89Å; L46-T50 WeakPolarHBondContact O-CG2 3.35Å; L46-T50 PolarHBondContact O-N 3.25Å; L46-T50 PolarHBondContact O-OG1 3.01Å; Q47-T50 WeakPolarHBondContact CA-OG1 3.49Å; Q47-T50 PolarHBondContact O-N 3.48Å; Q47-T50 PolarHBondContact O-OG1 2.93Å; T50-E52 VanDerWaalsContact C-N 3.34Å; T50-E52 PolarHBondContact O-N 3.5Å; T50-I53 WeakPolarHBondContact O-CB 3.49Å; T50-I53 PolarHBondContact O-N 2.87Å; T50-I54 VanDerWaalsContact O-CG1 3.24Å; T50-I54 WeakPolarHBondContact O-CG1 3.5Å; T50-I54 PolarHBondContact O-N 3.03Å; T50-Y201 HydrophobicContact CG2-CE1 4.18Å; T50-Y201 PolarHBondContact OG1-OH 3.15Å; T50-F231 HydrophobicContact CG2-CD1 4.42Å; T50-F231 HydrophobicContact CG2-CD2 4.14Å; T50-F231 HydrophobicContact CG2-CE1 3.87Å; T50-F231 HydrophobicContact CG2-CE2 3.58Å; T50-F231 HydrophobicContact CG2-CZ 3.42Å; T50-F231 VanDerWaalsContact CG2-CZ 3.42Å
51S98.2Very high97.5Very high72 Ų7251.5 Ų51.550%0.50326%0.258SS..Hα-helixtrans-61.1-40.1172.4-660000112.3Q47 I54 F55Q47-S51 VanDerWaalsContact O-CB 3.23Å; Q47-S51 WeakPolarHBondContact O-CB 3.35Å; Q47-S51 PolarHBondContact O-N 3.18Å; Q47-S51 PolarHBondContact O-OG 3Å; S51-I54 PolarHBondContact O-N 2.94Å; S51-F55 WeakPolarHBondContact O-CB 3.22Å; S51-F55 PolarHBondContact O-N 3.22Å
52E98.4Very high97.4Very high75 Ų7546.8 Ų46.835%0.3523%0.234SC..Hα-helixtrans-65.4-42.2174.3-165.6-175.9166.100111.5K17 L21 S48 L49 T50 F55 V56K17-E52 VanDerWaalsContact CE-OE1 3.25Å; K17-E52 WeakPolarHBondContact CE-OE1 3.2Å; K17-E52 IonicContact NZ-OE1 2.67Å; K17-E52 PolarHBondContact NZ-OE1 2.58Å; K17-E52 VanDerWaalsContact NZ-OE1 3.11Å; L21-E52 HydrophobicContact CD1-CB 4.23Å; L21-E52 HydrophobicContact CD1-CG 3.81Å; L21-E52 VanDerWaalsContact CD2-CD 3.48Å; L21-E52 HydrophobicContact CD2-CG 4.24Å; L21-E52 VanDerWaalsContact CD2-OE2 3.31Å; L21-E52 WeakPolarHBondContact CD2-OE2 3.34Å; S48-E52 PolarHBondContact O-N 3.44Å; L49-E52 PolarHBondContact O-N 3.24Å; T50-E52 VanDerWaalsContact C-N 3.34Å; T50-E52 PolarHBondContact O-N 3.5Å; E52-F55 PolarHBondContact O-N 3.26Å; E52-V56 VanDerWaalsContact O-CG2 3.29Å; E52-V56 WeakPolarHBondContact O-CG2 3.41Å; E52-V56 PolarHBondContact O-N 2.76Å
53I98.4Very high97.2Very high0 Ų046.2 Ų46.20%023%0.232CC..Hα-helixtrans-58.7-49.6175.3-70.7165.8000110.5L21 L25 L49 T50 F55 V56 Q57 Y208 F231L21-I53 HydrophobicContact CB-CD1 4.01Å; L21-I53 HydrophobicContact CB-CG1 3.49Å; L21-I53 VanDerWaalsContact CB-CG1 3.49Å; L21-I53 HydrophobicContact CD1-CG1 3.94Å; L21-I53 HydrophobicContact CG-CG1 4.34Å; L25-I53 HydrophobicContact CD2-CD1 3.94Å; L49-I53 VanDerWaalsContact O-CG1 3.28Å; L49-I53 WeakPolarHBondContact O-CG1 3.38Å; L49-I53 PolarHBondContact O-N 3.01Å; T50-I53 WeakPolarHBondContact O-CB 3.49Å; T50-I53 PolarHBondContact O-N 2.87Å; I53-F55 VanDerWaalsContact C-N 3.34Å; I53-F55 PolarHBondContact O-N 2.95Å; I53-V56 PolarHBondContact O-N 3.03Å; I53-Q57 VanDerWaalsContact CG2-CD 3.47Å; I53-Q57 HydrophobicContact CG2-CG 4.48Å; I53-Q57 VanDerWaalsContact CG2-OE1 3.28Å; I53-Q57 WeakPolarHBondContact O-CB 3.47Å; I53-Q57 WeakPolarHBondContact O-CG 3.47Å; I53-Q57 PolarHBondContact O-N 2.98Å; I53-Q57 VanDerWaalsContact O-N 3.08Å; I53-Y208 HydrophobicContact CD1-CE1 4.28Å; I53-Y208 HydrophobicContact CG2-CE1 4.15Å; I53-F231 HydrophobicContact CG2-CB 3.74Å
54I97.7Very high96.9Very high39 Ų3948.6 Ų48.620%0.225%0.248CC..Hα-helixtrans-58.6-45.8177.7-66.8168.6000110.5T50 S51 V56 Q57 K58 F231 D232T50-I54 VanDerWaalsContact O-CG1 3.24Å; T50-I54 WeakPolarHBondContact O-CG1 3.5Å; T50-I54 PolarHBondContact O-N 3.03Å; S51-I54 PolarHBondContact O-N 2.94Å; I54-V56 VanDerWaalsContact C-N 3.32Å; I54-V56 PolarHBondContact O-N 3.35Å; I54-Q57 CarbonylContact O-C 3.58Å; I54-Q57 PolarHBondContact O-N 3.38Å; I54-Q57 VanDerWaalsContact O-N 3.08Å; I54-K58 PolarHBondContact O-N 3.02Å; I54-F231 HydrophobicContact CD1-CD1 3.79Å; I54-F231 HydrophobicContact CD1-CE1 4.32Å; I54-F231 HydrophobicContact CG1-CB 4.26Å; I54-F231 HydrophobicContact CG1-CD1 3.83Å; I54-F231 HydrophobicContact CG1-CG 4.48Å; I54-D232 HydrophobicContact CG1-CB 4.35Å
55F97.5Very high96.4Very high135 Ų13549.3 Ų49.359%0.59226%0.255SS*.Hα-helixtrans-59.8-41.1179.1177.4-96.8000112.6S51 E52 I53 Q57 K58S51-F55 WeakPolarHBondContact O-CB 3.22Å; S51-F55 PolarHBondContact O-N 3.22Å; E52-F55 PolarHBondContact O-N 3.26Å; I53-F55 VanDerWaalsContact C-N 3.34Å; I53-F55 PolarHBondContact O-N 2.95Å; F55-Q57 VanDerWaalsContact C-N 3.26Å; F55-Q57 PolarHBondContact O-N 3.23Å; F55-K58 WeakPolarHBondContact O-CG 3.36Å
56V97.3Very high96Very high22 Ų2249.1 Ų49.113%0.13325%0.249CC..Hα-helixtrans-66.5-30.5177.1170.20000111.9V14 K17 L21 E52 I53 I54V14-V56 HydrophobicContact CG1-CG1 4.15Å; K17-V56 HydrophobicContact CB-CG1 4.11Å; K17-V56 HydrophobicContact CD-CG1 4.12Å; K17-V56 HydrophobicContact CD-CG2 3.51Å; K17-V56 VanDerWaalsContact CE-CG2 3.48Å; K17-V56 HydrophobicContact CG-CG1 4.15Å; K17-V56 HydrophobicContact CG-CG2 4.06Å; L21-V56 HydrophobicContact CD1-CG2 4.15Å; E52-V56 VanDerWaalsContact O-CG2 3.29Å; E52-V56 WeakPolarHBondContact O-CG2 3.41Å; E52-V56 PolarHBondContact O-N 2.76Å; I53-V56 PolarHBondContact O-N 3.03Å; I54-V56 VanDerWaalsContact C-N 3.32Å; I54-V56 PolarHBondContact O-N 3.35Å
57Q96.9Very high95.4Very high2 Ų253.8 Ų53.81%0.00927%0.272CS..Hα-helixtrans-99.1-4.1-173.3-67.5171.3-13.500114.5V14 T18 I53 I54 F55 E59 H60 S61 Y208 V228 F229 C230V14-Q57 HydrophobicContact CG1-CG 4.42Å; T18-Q57 PolarHBondContact OG1-NE2 2.8Å; I53-Q57 VanDerWaalsContact CG2-CD 3.47Å; I53-Q57 HydrophobicContact CG2-CG 4.48Å; I53-Q57 VanDerWaalsContact CG2-OE1 3.28Å; I53-Q57 WeakPolarHBondContact O-CB 3.47Å; I53-Q57 WeakPolarHBondContact O-CG 3.47Å; I53-Q57 PolarHBondContact O-N 2.98Å; I53-Q57 VanDerWaalsContact O-N 3.08Å; I54-Q57 CarbonylContact O-C 3.58Å; I54-Q57 PolarHBondContact O-N 3.38Å; I54-Q57 VanDerWaalsContact O-N 3.08Å; F55-Q57 VanDerWaalsContact C-N 3.26Å; F55-Q57 PolarHBondContact O-N 3.23Å; Q57-E59 PolarHBondContact O-N 2.8Å; Q57-H60 WeakPolarHBondContact O-CA 3.48Å; Q57-H60 WeakPolarHBondContact O-CB 3.36Å; Q57-H60 PolarHBondContact O-N 3.38Å; Q57-S61 PolarHBondContact O-N 2.69Å; Q57-Y208 PolarHBondContact NE2-OH 3.39Å; Q57-V228 HydrophobicContact CG-CG1 3.96Å; Q57-F229 PolarHBondContact NE2-O 3.07Å; Q57-C230 HydrophobicContact CB-CB 4.4Å
58K94.7Very high94.8Very high111 Ų11155.3 Ų55.348%0.48328%0.278SS..G310 helixtrans-49.8-37.6-166.966.7-179.4-176.6160.50115.2I54 F55 H60I54-K58 PolarHBondContact O-N 3.02Å; F55-K58 WeakPolarHBondContact O-CG 3.36Å; K58-H60 PolarHBondContact O-N 3.11Å
59E94.1Very high94.5Very high150 Ų15054.6 Ų54.670%0.70127%0.273SS*.G310 helixtrans-79.8-5.2-178.8-54.5-56.8143.600113.4Q57Q57-E59 PolarHBondContact O-N 2.8Å
60H94.8Very high94.1Very high41 Ų4156.5 Ų56.519%0.1928%0.283CS..G310 helixtrans-113.7-9-176.1-61.2-81.7000113.8Q57 K58 Y62 V228 C230Q57-H60 WeakPolarHBondContact O-CA 3.48Å; Q57-H60 WeakPolarHBondContact O-CB 3.36Å; Q57-H60 PolarHBondContact O-N 3.38Å; K58-H60 PolarHBondContact O-N 3.11Å; H60-Y62 WeakPolarHBondContact O-CD2 3.21Å; H60-Y62 PolarHBondContact O-N 2.94Å; H60-V228 HydrophobicContact CB-CB 3.79Å; H60-V228 HydrophobicContact CB-CG1 4.45Å; H60-V228 HydrophobicContact CB-CG2 3.99Å; H60-C230 VanDerWaalsContact C-SG 3.55Å
61S95.5Very high93.8Very high5 Ų562.7 Ų62.74%0.03531%0.312CS..  trans-63.9130.6179.51660000111.3Q57 V63 S64 D233Q57-S61 PolarHBondContact O-N 2.69Å; S61-V63 VanDerWaalsContact OG-CG1 3.24Å; S61-V63 WeakPolarHBondContact OG-CG1 3.39Å; S61-V63 PolarHBondContact OG-N 2.85Å; S61-S64 PolarHBondContact O-OG 3.09Å; S61-S64 PolarHBondContact OG-N 3.46Å; S61-D233 PolarHBondContact OG-OD1 3.3Å
62Y95.6Very high93.6Very high37 Ų3761.8 Ų61.815%0.14531%0.305CS..SBendtrans-80.2-31.3174.2-77.5-111.4000112.3H60 S64 K65 Y156 I224 F227 D233H60-Y62 WeakPolarHBondContact O-CD2 3.21Å; H60-Y62 PolarHBondContact O-N 2.94Å; Y62-S64 PolarHBondContact O-N 3.05Å; Y62-K65 WeakPolarHBondContact O-CB 3.41Å; Y62-K65 PolarHBondContact O-N 3.4Å; Y62-K65 VanDerWaalsContact O-N 3.1Å; Y62-Y156 AromaticContact CD1-CD1 3.94Å; Y62-Y156 HydrophobicContact CD1-CD1 3.94Å; Y62-Y156 AromaticContact CD2-CD1 3.73Å; Y62-Y156 HydrophobicContact CD2-CD1 3.73Å; Y62-Y156 AromaticContact CD2-CE1 3.95Å; Y62-Y156 HydrophobicContact CD2-CE1 3.95Å; Y62-Y156 HydrophobicContact CE1-CD1 4.26Å; Y62-Y156 HydrophobicContact CE2-CD1 4.09Å; Y62-Y156 AromaticContact CG-CD1 3.66Å; Y62-Y156 HydrophobicContact CG-CD1 3.66Å; Y62-Y156 HydrophobicContact CG-CE1 4.11Å; Y62-I224 WeakPolarHBondContact OH-CG2 3.21Å; Y62-F227 HydrophobicContact CE2-CD2 4.43Å; Y62-D233 PolarHBondContact N-OD1 3.24Å; Y62-D233 PolarHBondContact N-OD2 3.37Å
63V94.9Very high93.3Very high1 Ų160 Ų601%0.00630%0.296CS..G310 helixtrans-64.2-29.7177.271.60000112S61 K65 L66 D232 D233 W236S61-V63 VanDerWaalsContact OG-CG1 3.24Å; S61-V63 WeakPolarHBondContact OG-CG1 3.39Å; S61-V63 PolarHBondContact OG-N 2.85Å; V63-K65 PolarHBondContact O-N 3.11Å; V63-L66 HydrophobicContact CG2-CD1 4.37Å; V63-L66 WeakPolarHBondContact O-CA 3.45Å; V63-L66 WeakPolarHBondContact O-CB 3.44Å; V63-L66 PolarHBondContact O-N 3.3Å; V63-D232 HydrophobicContact CG1-CB 4.41Å; V63-D233 WeakPolarHBondContact CG1-OD1 3.37Å; V63-D233 PolarHBondContact N-OD1 3.33Å; V63-W236 HydrophobicContact CB-CB 4.27Å; V63-W236 HydrophobicContact CB-CG 4.21Å; V63-W236 HydrophobicContact CG1-CB 4.48Å; V63-W236 HydrophobicContact CG2-CB 3.91Å; V63-W236 HydrophobicContact CG2-CD2 4.06Å; V63-W236 HydrophobicContact CG2-CG 3.51Å
64S91.7Very high93.1Very high50 Ų5063.3 Ų63.335%0.3531%0.31SS..G310 helixtrans-54.4-28.9173.373.30000113.2S61 Y62 L66 M67S61-S64 PolarHBondContact O-OG 3.09Å; S61-S64 PolarHBondContact OG-N 3.46Å; Y62-S64 PolarHBondContact O-N 3.05Å; S64-L66 VanDerWaalsContact C-N 3.31Å; S64-L66 PolarHBondContact O-N 2.77Å; S64-M67 WeakPolarHBondContact O-CB 3.43Å; S64-M67 PolarHBondContact O-N 3.14Å
65K88.2Confident92.9Very high144 Ų14467.7 Ų67.763%0.62633%0.327SS*.G310 helixtrans-77.8-14.7177.1-56.7173.6-175.4166.90113.2Y62 V63Y62-K65 WeakPolarHBondContact O-CB 3.41Å; Y62-K65 PolarHBondContact O-N 3.4Å; Y62-K65 VanDerWaalsContact O-N 3.1Å; V63-K65 PolarHBondContact O-N 3.11Å
66L89.2Confident92.7Very high18 Ų1862.3 Ų62.39%0.09431%0.305CS..G310 helixtrans-86.2-14.5173.3-61-176.7000112.6V63 S64 K68 L155 I167 W236V63-L66 HydrophobicContact CG2-CD1 4.37Å; V63-L66 WeakPolarHBondContact O-CA 3.45Å; V63-L66 WeakPolarHBondContact O-CB 3.44Å; V63-L66 PolarHBondContact O-N 3.3Å; S64-L66 VanDerWaalsContact C-N 3.31Å; S64-L66 PolarHBondContact O-N 2.77Å; L66-K68 WeakPolarHBondContact O-CG 3.3Å; L66-K68 PolarHBondContact O-N 3.39Å; L66-L155 HydrophobicContact CD1-CD1 3.86Å; L66-L155 HydrophobicContact CD2-CD1 4.4Å; L66-L155 HydrophobicContact CG-CD1 4.17Å; L66-I167 HydrophobicContact CD1-CG2 4.09Å; L66-I167 HydrophobicContact CD2-CG2 4.19Å; L66-W236 HydrophobicContact CD1-CH2 4.32Å; L66-W236 HydrophobicContact CD1-CZ2 3.75Å
67M87.1Confident92.6Very high98 Ų9861.2 Ų61.248%0.48330%0.298SS..  trans-59.9121.8176.4-67.1-179.6170.500110S64S64-M67 WeakPolarHBondContact O-CB 3.43Å; S64-M67 PolarHBondContact O-N 3.14Å
68K85.6Confident92.4Very high56 Ų5665 Ų6524%0.24332%0.316CS..  trans-140.3153-174.1-72.5168.2-162.5173.50109.2L66 R73 D76 R168L66-K68 WeakPolarHBondContact O-CG 3.3Å; L66-K68 PolarHBondContact O-N 3.39Å; K68-R73 HydrophobicContact CB-CB 4.33Å; K68-D76 IonicContact NZ-OD2 3.99Å; K68-D76 PolarHBondContact NZ-OD2 2.9Å; K68-R168 PolarHBondContact NZ-O 2.78Å
69S91.1Very high92.3Very high64 Ų6465.3 Ų65.345%0.44832%0.323SS..  trans-62.2158.616488.20000110E71 S72 R73S69-E71 VanDerWaalsContact CB-OE2 3.27Å; S69-E71 WeakPolarHBondContact CB-OE2 3.48Å; S69-E71 PolarHBondContact O-N 3.46Å; S69-E71 PolarHBondContact OG-N 3.48Å; S69-E71 PolarHBondContact OG-OE2 3.36Å; S69-S72 PolarHBondContact O-N 2.91Å; S69-S72 PolarHBondContact OG-N 3.02Å; S69-R73 PolarHBondContact O-N 3.29Å
70L90.2Very high92.2Very high66 Ų6661 Ų6135%0.34630%0.302SS..Hα-helixtrans-56-41.4176.8-172151.6000110.9R73 K74 W90 F96L70-R73 PolarHBondContact O-N 2.89Å; L70-K74 WeakPolarHBondContact O-CB 3.31Å; L70-K74 PolarHBondContact O-N 3.39Å; L70-W90 HydrophobicContact CD1-CD2 3.48Å; L70-W90 VanDerWaalsContact CD1-CD2 3.48Å; L70-W90 HydrophobicContact CD1-CE3 3.67Å; L70-W90 HydrophobicContact CD1-CG 3.89Å; L70-W90 HydrophobicContact CD1-CH2 4.23Å; L70-W90 HydrophobicContact CD1-CZ2 4.07Å; L70-W90 HydrophobicContact CD1-CZ3 4.04Å; L70-W90 HydrophobicContact CD2-CB 4.32Å; L70-W90 HydrophobicContact CD2-CG 4.42Å; L70-W90 HydrophobicContact CG-CD2 4.3Å; L70-W90 HydrophobicContact CG-CE3 4.18Å; L70-F96 HydrophobicContact CD2-CE1 4.44Å; L70-F96 HydrophobicContact CD2-CZ 3.9Å; L70-F96 HydrophobicContact CG-CE2 4.19Å; L70-F96 HydrophobicContact CG-CZ 3.78Å; L70-F96 WeakPolarHBondContact O-CZ 3.41Å
71E93.6Very high91.9Very high130 Ų13059.8 Ų59.861%0.60730%0.297SS*.Hα-helixtrans-65.3-44.1178.2-56.273.3-159.400112.1S69 R73 K74 K75S69-E71 VanDerWaalsContact CB-OE2 3.27Å; S69-E71 WeakPolarHBondContact CB-OE2 3.48Å; S69-E71 PolarHBondContact O-N 3.46Å; S69-E71 PolarHBondContact OG-N 3.48Å; S69-E71 PolarHBondContact OG-OE2 3.36Å; E71-R73 VanDerWaalsContact C-N 3.33Å; E71-R73 PolarHBondContact O-N 2.85Å; E71-K74 WeakPolarHBondContact O-CB 3.44Å; E71-K74 PolarHBondContact O-N 3.38Å; E71-K75 PolarHBondContact O-N 2.87Å
72S92.7Very high91Very high53 Ų5365.3 Ų65.337%0.37134%0.336SS..Hα-helixtrans-65.9-38.5178.5-178.90000111.5S69 K75 D76S69-S72 PolarHBondContact O-N 2.91Å; S69-S72 PolarHBondContact OG-N 3.02Å; S72-K75 PolarHBondContact O-N 2.99Å; S72-D76 PolarHBondContact O-N 3.31Å
73R93Very high90.6Very high39 Ų3965.1 Ų65.115%0.14734%0.34CS..Hα-helixtrans-69.3-40.4175.6-174174.6174.4-137.3-12.3111.5K68 S69 L70 E71 K75 D76 L77 F96 T169 P171K68-R73 HydrophobicContact CB-CB 4.33Å; S69-R73 PolarHBondContact O-N 3.29Å; L70-R73 PolarHBondContact O-N 2.89Å; E71-R73 VanDerWaalsContact C-N 3.33Å; E71-R73 PolarHBondContact O-N 2.85Å; R73-K75 VanDerWaalsContact C-N 3.29Å; R73-K75 PolarHBondContact O-N 2.92Å; R73-D76 PolarHBondContact O-N 3.36Å; R73-L77 HydrophobicContact CG-CD1 4Å; R73-L77 WeakPolarHBondContact O-CG 3.49Å; R73-L77 PolarHBondContact O-N 2.67Å; R73-F96 HydrophobicContact CB-CE2 4.3Å; R73-F96 HydrophobicContact CG-CE2 4.15Å; R73-T169 PolarHBondContact NE-O 3.29Å; R73-T169 PolarHBondContact NH2-O 2.92Å; R73-P171 VanDerWaalsContact NH2-CD 3.3Å
74K94Very high90.3Very high69 Ų6971.8 Ų71.830%0.338%0.375SS..Hα-helixtrans-55.7-45.7173.9-172.9-177.4178.9-160.10111L70 E71 L77 E78 V88 F96L70-K74 WeakPolarHBondContact O-CB 3.31Å; L70-K74 PolarHBondContact O-N 3.39Å; E71-K74 WeakPolarHBondContact O-CB 3.44Å; E71-K74 PolarHBondContact O-N 3.38Å; K74-L77 WeakPolarHBondContact O-CB 3.11Å; K74-L77 PolarHBondContact O-N 3.33Å; K74-E78 WeakPolarHBondContact CE-OE1 3.22Å; K74-E78 HydrophobicContact CG-CG 4.39Å; K74-E78 IonicContact NZ-OE1 2.77Å; K74-E78 WeakPolarHBondContact O-CG 3.36Å; K74-E78 PolarHBondContact O-N 3.33Å; K74-V88 HydrophobicContact CG-CG1 4.24Å; K74-F96 HydrophobicContact CB-CE1 3.81Å; K74-F96 HydrophobicContact CB-CZ 3.89Å; K74-F96 HydrophobicContact CG-CE1 4.03Å
75K93.6Very high90.2Very high130 Ų13071.6 Ų71.657%0.56537%0.37SS*.Hα-helixtrans-62.3-43.6177.4-175.9178179.7179.30112.8E71 S72 R73 L77 E78 N79E71-K75 PolarHBondContact O-N 2.87Å; S72-K75 PolarHBondContact O-N 2.99Å; R73-K75 VanDerWaalsContact C-N 3.29Å; R73-K75 PolarHBondContact O-N 2.92Å; K75-L77 VanDerWaalsContact C-N 3.29Å; K75-L77 PolarHBondContact O-N 3.35Å; K75-E78 PolarHBondContact O-N 3.01Å; K75-N79 WeakPolarHBondContact O-CB 3.31Å; K75-N79 PolarHBondContact O-N 3.31Å; K75-N79 PolarHBondContact O-ND2 2.85Å; K75-N79 VanDerWaalsContact O-ND2 3.09Å
76D93.4Very high90.5Very high22 Ų2265.6 Ų65.612%0.11834%0.344CS..Hα-helixtrans-62.5-38.9175.8-82.7-0.7000111.1K68 S72 R73 F80 R168K68-D76 IonicContact NZ-OD2 3.99Å; K68-D76 PolarHBondContact NZ-OD2 2.9Å; S72-D76 PolarHBondContact O-N 3.31Å; R73-D76 PolarHBondContact O-N 3.36Å; D76-F80 VanDerWaalsContact O-CB 3.27Å; D76-F80 WeakPolarHBondContact O-CB 3.29Å; D76-F80 PolarHBondContact O-N 3.47Å; D76-R168 IonicContact OD1-NH2 2.64Å; D76-R168 PolarHBondContact OD1-NH2 3.08Å; D76-R168 IonicContact OD2-CZ 3.55Å; D76-R168 IonicContact OD2-NE 3.62Å; D76-R168 PolarHBondContact OD2-NE 3.43Å; D76-R168 VanDerWaalsContact OD2-NE 3.14Å; D76-R168 IonicContact OD2-NH2 3.22Å; D76-R168 PolarHBondContact OD2-NH2 3.19Å
77L94.5Very high90.7Very high0 Ų066.9 Ų66.90%035%0.352CS..Hα-helixtrans-64.8-49.6173.7-76.9157.8000112.3R73 K74 K75 N79 F80 L81 V88 F96 T169 M266R73-L77 HydrophobicContact CG-CD1 4Å; R73-L77 WeakPolarHBondContact O-CG 3.49Å; R73-L77 PolarHBondContact O-N 2.67Å; K74-L77 WeakPolarHBondContact O-CB 3.11Å; K74-L77 PolarHBondContact O-N 3.33Å; K75-L77 VanDerWaalsContact C-N 3.29Å; K75-L77 PolarHBondContact O-N 3.35Å; L77-N79 VanDerWaalsContact C-N 3.28Å; L77-N79 PolarHBondContact O-N 3.18Å; L77-F80 PolarHBondContact O-N 2.77Å; L77-F80 VanDerWaalsContact O-N 3.11Å; L77-L81 HydrophobicContact CB-CD1 4.45Å; L77-L81 WeakPolarHBondContact O-CB 3.4Å; L77-L81 WeakPolarHBondContact O-CD1 3.38Å; L77-L81 WeakPolarHBondContact O-CG 3.41Å; L77-L81 PolarHBondContact O-N 3.09Å; L77-V88 HydrophobicContact CB-CB 4.37Å; L77-V88 HydrophobicContact CB-CG1 3.83Å; L77-V88 HydrophobicContact CB-CG2 4.33Å; L77-V88 HydrophobicContact CD1-CG2 4.14Å; L77-F96 HydrophobicContact CD1-CB 4.23Å; L77-F96 HydrophobicContact CD1-CD1 4.05Å; L77-F96 HydrophobicContact CD1-CD2 3.94Å; L77-F96 HydrophobicContact CD1-CE1 4.37Å; L77-F96 HydrophobicContact CD1-CE2 4.28Å; L77-F96 HydrophobicContact CD1-CG 3.8Å; L77-F96 HydrophobicContact CD1-CZ 4.48Å; L77-T169 HydrophobicContact CD2-CG2 4.16Å; L77-T169 HydrophobicContact CG-CG2 4.48Å; L77-M266 HydrophobicContact CD1-CE 4.04Å; L77-M266 HydrophobicContact CD2-CE 3.57Å; L77-M266 HydrophobicContact CD2-CG 4.22Å; L77-M266 HydrophobicContact CD2-SD 3.6Å; L77-M266 HydrophobicContact CG-CE 4.48Å
78E92.9Very high91.1Very high80 Ų8062.3 Ų62.337%0.37433%0.33SS..Hα-helixtrans-59.5-37.9177.6-72.8173156.400112.1K74 K75 L81 V88K74-E78 WeakPolarHBondContact CE-OE1 3.22Å; K74-E78 HydrophobicContact CG-CG 4.39Å; K74-E78 IonicContact NZ-OE1 2.77Å; K74-E78 WeakPolarHBondContact O-CG 3.36Å; K74-E78 PolarHBondContact O-N 3.33Å; K75-E78 PolarHBondContact O-N 3.01Å; E78-L81 VanDerWaalsContact O-O 3.07Å; E78-V88 HydrophobicContact CG-CG1 3.73Å
79N92.3Very high91.5Very high118 Ų11863.8 Ų63.863%0.63134%0.337SS*.Hα-helixtrans-71.2-33.2175.9-68.5-30.4000112.7K75 L77K75-N79 WeakPolarHBondContact O-CB 3.31Å; K75-N79 PolarHBondContact O-N 3.31Å; K75-N79 PolarHBondContact O-ND2 2.85Å; K75-N79 VanDerWaalsContact O-ND2 3.09Å; L77-N79 VanDerWaalsContact C-N 3.28Å; L77-N79 PolarHBondContact O-N 3.18Å
80F92.7Very high91.8Very high60 Ų6066 Ų6626%0.26334%0.336SS..Hα-helixtrans-76.4-32179-175.3-109.9000112.1D76 L77 D165 Y166 T169 P262 V263D76-F80 VanDerWaalsContact O-CB 3.27Å; D76-F80 WeakPolarHBondContact O-CB 3.29Å; D76-F80 PolarHBondContact O-N 3.47Å; L77-F80 PolarHBondContact O-N 2.77Å; L77-F80 VanDerWaalsContact O-N 3.11Å; F80-D165 HydrophobicContact CD2-CB 3.87Å; F80-D165 HydrophobicContact CE2-CB 4.16Å; F80-Y166 HydrophobicContact CE1-CD2 4.24Å; F80-Y166 HydrophobicContact CZ-CD2 4.2Å; F80-Y166 HydrophobicContact CZ-CG 4.4Å; F80-T169 HydrophobicContact CB-CG2 3.54Å; F80-T169 HydrophobicContact CD1-CG2 3.71Å; F80-T169 HydrophobicContact CD2-CG2 4.31Å; F80-T169 HydrophobicContact CG-CG2 3.59Å; F80-P262 HydrophobicContact CE1-CB 3.81Å; F80-P262 HydrophobicContact CZ-CB 3.64Å; F80-V263 HydrophobicContact CD1-CG2 4.22Å; F80-V263 HydrophobicContact CE1-CG2 3.72Å; F80-V263 HydrophobicContact CZ-CG2 4.43Å
81L88.6Confident92Very high16 Ų1664.5 Ų64.58%0.08433%0.327CS..  trans-89.6103-179.7-62.2168.3000110.5L77 E78 Y86 V88 L98 V263L77-L81 HydrophobicContact CB-CD1 4.45Å; L77-L81 WeakPolarHBondContact O-CB 3.4Å; L77-L81 WeakPolarHBondContact O-CD1 3.38Å; L77-L81 WeakPolarHBondContact O-CG 3.41Å; L77-L81 PolarHBondContact O-N 3.09Å; E78-L81 VanDerWaalsContact O-O 3.07Å; L81-Y86 HydrophobicContact CD2-CE2 4.26Å; L81-V88 HydrophobicContact CD1-CB 3.64Å; L81-V88 HydrophobicContact CD1-CG1 4.2Å; L81-V88 HydrophobicContact CD1-CG2 4.41Å; L81-L98 HydrophobicContact CD1-CD2 4.04Å; L81-L98 HydrophobicContact CD2-CD2 4.28Å; L81-V263 HydrophobicContact CD2-CB 4.02Å; L81-V263 HydrophobicContact CD2-CG1 3.58Å; L81-V263 HydrophobicContact CD2-CG2 3.89Å
82S76.7Confident91.8Very high121 Ų12167.2 Ų67.285%0.84634%0.34SS*.  trans-102.595.1171.8176.20000110.2
83S87.2Confident91.6Very high33 Ų3371 Ų7123%0.23135%0.349CS..  trans-152139.9179.3-178.10000112.9N85 Y86S83-N85 PolarHBondContact OG-N 3.47Å; S83-N85 VanDerWaalsContact OG-N 3.15Å; S83-Y86 VanDerWaalsContact CB-CZ 3.41Å; S83-Y86 VanDerWaalsContact OG-CD1 3.26Å; S83-Y86 WeakPolarHBondContact OG-CD1 3.28Å; S83-Y86 WeakPolarHBondContact OG-CE1 3.46Å; S83-Y86 PolarHBondContact OG-N 3.07Å
84D87.3Confident91.6Very high141 Ų14173.4 Ų73.475%0.75436%0.359SS*.SBendtrans-80.7-20.3170.5-65.8-33.2000112.4
85N91.2Very high91.6Very high45 Ų4570.8 Ų70.824%0.24135%0.352CS..SBendtrans-86.3-31.1-174-67.2-43.7000112.6S83 C101 L105 I111S83-N85 PolarHBondContact OG-N 3.47Å; S83-N85 VanDerWaalsContact OG-N 3.15Å; N85-C101 PolarHBondContact O-N 3.08Å; N85-L105 HydrophobicContact CB-CD2 4.32Å; N85-I111 HydrophobicContact CB-CB 4.41Å; N85-I111 HydrophobicContact CB-CG2 4.36Å
86Y94Very high91.7Very high19 Ų1965.2 Ų65.28%0.07533%0.328CS..EExtended strand (participates in β ladder)trans-149.1156.9-17358.5-99.2000112.5L81 S83 L98 T99 C101 I111 I112 V263L81-Y86 HydrophobicContact CD2-CE2 4.26Å; S83-Y86 VanDerWaalsContact CB-CZ 3.41Å; S83-Y86 VanDerWaalsContact OG-CD1 3.26Å; S83-Y86 WeakPolarHBondContact OG-CD1 3.28Å; S83-Y86 WeakPolarHBondContact OG-CE1 3.46Å; S83-Y86 PolarHBondContact OG-N 3.07Å; Y86-L98 HydrophobicContact CD2-CD1 3.92Å; Y86-L98 HydrophobicContact CD2-CD2 3.99Å; Y86-L98 HydrophobicContact CD2-CG 4.44Å; Y86-L98 HydrophobicContact CE2-CD1 4.15Å; Y86-L98 HydrophobicContact CE2-CD2 4.41Å; Y86-L98 HydrophobicContact CG-CD1 4.22Å; Y86-T99 CarbonylContact C-O 3.58Å; Y86-T99 WeakPolarHBondContact CA-O 3.4Å; Y86-T99 WeakPolarHBondContact CB-O 3.42Å; Y86-C101 VanDerWaalsContact CA-SG 3.6Å; Y86-I111 HydrophobicContact CD1-CB 4.43Å; Y86-I111 HydrophobicContact CD1-CD1 4.1Å; Y86-I111 WeakPolarHBondContact CE1-O 3.34Å; Y86-I112 HydrophobicContact CE1-CD1 4.34Å; Y86-I112 HydrophobicContact CE1-CG1 3.66Å; Y86-V263 HydrophobicContact CE2-CG1 3.93Å; Y86-V263 WeakPolarHBondContact OH-CG1 3.4Å
87T93.9Very high91.9Very high44 Ų4464.1 Ų64.127%0.2732%0.322SS..EExtended strand (participates in β ladder)trans-134.6-171.7169.3-171.50000108.5L98 T99 C101T87-L98 CarbonylContact O-C 3.6Å; T87-L98 VanDerWaalsContact O-CA 3.31Å; T87-L98 WeakPolarHBondContact O-CA 3.49Å; T87-T99 HydrophobicContact CG2-CG2 3.37Å; T87-T99 PolarHBondContact N-O 3.33Å; T87-T99 PolarHBondContact O-N 2.78Å; T87-C101 WeakPolarHBondContact CB-SG 3.47Å; T87-C101 WeakPolarHBondContact CG2-SG 3.36Å; T87-C101 PolarHBondContact N-SG 3.15Å
88V94.7Very high92Very high2 Ų264.1 Ų64.11%0.01232%0.322CS..EExtended strand (participates in β ladder)trans-104.8143177.170.50000111.5K74 L77 E78 L81 F96 G97 M266K74-V88 HydrophobicContact CG-CG1 4.24Å; L77-V88 HydrophobicContact CB-CB 4.37Å; L77-V88 HydrophobicContact CB-CG1 3.83Å; L77-V88 HydrophobicContact CB-CG2 4.33Å; L77-V88 HydrophobicContact CD1-CG2 4.14Å; E78-V88 HydrophobicContact CG-CG1 3.73Å; L81-V88 HydrophobicContact CD1-CB 3.64Å; L81-V88 HydrophobicContact CD1-CG1 4.2Å; L81-V88 HydrophobicContact CD1-CG2 4.41Å; V88-F96 HydrophobicContact CG2-CB 4.09Å; V88-F96 HydrophobicContact CG2-CD1 3.75Å; V88-F96 HydrophobicContact CG2-CG 4.29Å; V88-G97 WeakPolarHBondContact CA-O 3.45Å; V88-G97 WeakPolarHBondContact CG2-O 3.41Å; V88-M266 HydrophobicContact CG2-CE 4.19Å
89H94.7Very high92.1Very high87 Ų8761 Ų6140%0.40331%0.308SS..EExtended strand (participates in β ladder)trans-138153.8173.2-169.879000110.7F91 F96 G97 T99H89-F91 HydrophobicContact CB-CD2 4.48Å; H89-F91 HydrophobicContact CB-CE1 4.47Å; H89-F91 HydrophobicContact CB-CE2 3.75Å; H89-F91 HydrophobicContact CB-CZ 3.74Å; H89-F91 AromaticContact CD2-CD1 3.87Å; H89-F91 AromaticContact CD2-CE1 3.65Å; H89-F91 AromaticContact CD2-CZ 3.81Å; H89-F96 CarbonylContact O-C 3.17Å; H89-F96 VanDerWaalsContact O-CA 3.32Å; H89-F96 WeakPolarHBondContact O-CA 3.34Å; H89-G97 PolarHBondContact N-O 3.11Å; H89-G97 PolarHBondContact O-N 3.21Å; H89-T99 HydrophobicContact CB-CG2 3.85Å
90W95.7Very high92.2Very high110 Ų11055.4 Ų55.442%0.41728%0.279SS..EExtended strand (participates in β ladder)trans-92117.4172.7174.9-93.4000109.7L70 F96L70-W90 HydrophobicContact CD1-CD2 3.48Å; L70-W90 VanDerWaalsContact CD1-CD2 3.48Å; L70-W90 HydrophobicContact CD1-CE3 3.67Å; L70-W90 HydrophobicContact CD1-CG 3.89Å; L70-W90 HydrophobicContact CD1-CH2 4.23Å; L70-W90 HydrophobicContact CD1-CZ2 4.07Å; L70-W90 HydrophobicContact CD1-CZ3 4.04Å; L70-W90 HydrophobicContact CD2-CB 4.32Å; L70-W90 HydrophobicContact CD2-CG 4.42Å; L70-W90 HydrophobicContact CG-CD2 4.3Å; L70-W90 HydrophobicContact CG-CE3 4.18Å; W90-F96 HydrophobicContact CB-CD1 4.25Å; W90-F96 HydrophobicContact CB-CE1 4.07Å; W90-F96 HydrophobicContact CE3-CD1 4.23Å; W90-F96 AromaticContact CE3-CD2 3.67Å; W90-F96 HydrophobicContact CE3-CD2 3.67Å; W90-F96 HydrophobicContact CE3-CE1 4.29Å; W90-F96 AromaticContact CE3-CE2 3.72Å; W90-F96 HydrophobicContact CE3-CE2 3.72Å; W90-F96 AromaticContact CE3-CG 3.95Å; W90-F96 HydrophobicContact CE3-CG 3.95Å; W90-F96 HydrophobicContact CE3-CZ 4.05Å; W90-F96 AromaticContact CZ3-CD2 3.92Å; W90-F96 HydrophobicContact CZ3-CD2 3.92Å; W90-F96 HydrophobicContact CZ3-CE2 4.05Å
91F94.9Very high92Very high35 Ų3554.4 Ų54.415%0.15428%0.278CS..EExtended strand (participates in β ladder)trans-106.4121.7175.7-59.1-83.6000109H89 K93 Y94 G95 Q298H89-F91 HydrophobicContact CB-CD2 4.48Å; H89-F91 HydrophobicContact CB-CE1 4.47Å; H89-F91 HydrophobicContact CB-CE2 3.75Å; H89-F91 HydrophobicContact CB-CZ 3.74Å; H89-F91 AromaticContact CD2-CD1 3.87Å; H89-F91 AromaticContact CD2-CE1 3.65Å; H89-F91 AromaticContact CD2-CZ 3.81Å; F91-K93 PolarHBondContact O-N 3.14Å; F91-Y94 HydrophobicContact CB-CD2 4.14Å; F91-Y94 PolarHBondContact O-N 2.84Å; F91-G95 PolarHBondContact N-O 3.01Å; F91-G95 WeakPolarHBondContact O-CA 3.4Å; F91-G95 PolarHBondContact O-N 3.35Å; F91-Q298 HydrophobicContact CD1-CB 4.34Å; F91-Q298 HydrophobicContact CD2-CG 4.01Å; F91-Q298 HydrophobicContact CE1-CB 3.68Å; F91-Q298 HydrophobicContact CE1-CG 4.2Å; F91-Q298 HydrophobicContact CE2-CB 3.91Å; F91-Q298 VanDerWaalsContact CE2-CD 3.47Å; F91-Q298 HydrophobicContact CE2-CG 3.54Å; F91-Q298 VanDerWaalsContact CG-NE2 3.29Å; F91-Q298 HydrophobicContact CZ-CB 3.43Å; F91-Q298 VanDerWaalsContact CZ-CB 3.43Å; F91-Q298 HydrophobicContact CZ-CG 3.65Å
92E90.7Very high91.3Very high188 Ų18860.6 Ų60.688%0.87931%0.311SS*.THydrogen-bonded Turntrans-49.4-41.7-173.6-173.2174.8-173.600113.9
93K87.9Confident91.6Very high131 Ų13157.3 Ų57.357%0.5729%0.288SS*.THydrogen-bonded Turntrans-79-24.4-179.8-174.9173-178.4175.50114.7F91F91-K93 PolarHBondContact O-N 3.14Å
94Y92.6Very high91.9Very high90 Ų9062 Ų6235%0.35330%0.301SS..THydrogen-bonded Turntrans-119.5-12-168.1-58-88.1000114F91 N268 F300F91-Y94 HydrophobicContact CB-CD2 4.14Å; F91-Y94 PolarHBondContact O-N 2.84Å; Y94-N268 WeakPolarHBondContact CB-ND2 3.35Å; Y94-N268 HydrophobicContact CD1-CB 4.04Å; Y94-N268 HydrophobicContact CG-CB 4.38Å; Y94-F300 HydrophobicContact CD1-CE1 4.24Å; Y94-F300 AromaticContact CE1-CE1 3.92Å; Y94-F300 HydrophobicContact CE1-CE1 3.92Å; Y94-F300 HydrophobicContact CE2-CE1 4.29Å; Y94-F300 HydrophobicContact CE2-CZ 4.27Å; Y94-F300 AromaticContact CZ-CE1 3.96Å
95G94.1Very high92.3Very high15 Ų1555.2 Ų55.216%0.15527%0.265CS..EExtended strand (participates in β ladder)trans74-150.1-166.800000112F91 G97F91-G95 PolarHBondContact N-O 3.01Å; F91-G95 WeakPolarHBondContact O-CA 3.4Å; F91-G95 PolarHBondContact O-N 3.35Å; G95-G97 PolarHBondContact O-N 3.44Å
96F96Very high92.6Very high12 Ų1259.4 Ų59.45%0.05328%0.283CS..EExtended strand (participates in β ladder)trans-67.2133.9177.1-75.7-69.4000111.5L70 R73 K74 L77 V88 H89 W90 M266 N268L70-F96 HydrophobicContact CD2-CE1 4.44Å; L70-F96 HydrophobicContact CD2-CZ 3.9Å; L70-F96 HydrophobicContact CG-CE2 4.19Å; L70-F96 HydrophobicContact CG-CZ 3.78Å; L70-F96 WeakPolarHBondContact O-CZ 3.41Å; R73-F96 HydrophobicContact CB-CE2 4.3Å; R73-F96 HydrophobicContact CG-CE2 4.15Å; K74-F96 HydrophobicContact CB-CE1 3.81Å; K74-F96 HydrophobicContact CB-CZ 3.89Å; K74-F96 HydrophobicContact CG-CE1 4.03Å; L77-F96 HydrophobicContact CD1-CB 4.23Å; L77-F96 HydrophobicContact CD1-CD1 4.05Å; L77-F96 HydrophobicContact CD1-CD2 3.94Å; L77-F96 HydrophobicContact CD1-CE1 4.37Å; L77-F96 HydrophobicContact CD1-CE2 4.28Å; L77-F96 HydrophobicContact CD1-CG 3.8Å; L77-F96 HydrophobicContact CD1-CZ 4.48Å; V88-F96 HydrophobicContact CG2-CB 4.09Å; V88-F96 HydrophobicContact CG2-CD1 3.75Å; V88-F96 HydrophobicContact CG2-CG 4.29Å; H89-F96 CarbonylContact O-C 3.17Å; H89-F96 VanDerWaalsContact O-CA 3.32Å; H89-F96 WeakPolarHBondContact O-CA 3.34Å; W90-F96 HydrophobicContact CB-CD1 4.25Å; W90-F96 HydrophobicContact CB-CE1 4.07Å; W90-F96 HydrophobicContact CE3-CD1 4.23Å; W90-F96 AromaticContact CE3-CD2 3.67Å; W90-F96 HydrophobicContact CE3-CD2 3.67Å; W90-F96 HydrophobicContact CE3-CE1 4.29Å; W90-F96 AromaticContact CE3-CE2 3.72Å; W90-F96 HydrophobicContact CE3-CE2 3.72Å; W90-F96 AromaticContact CE3-CG 3.95Å; W90-F96 HydrophobicContact CE3-CG 3.95Å; W90-F96 HydrophobicContact CE3-CZ 4.05Å; W90-F96 AromaticContact CZ3-CD2 3.92Å; W90-F96 HydrophobicContact CZ3-CD2 3.92Å; W90-F96 HydrophobicContact CZ3-CE2 4.05Å; F96-M266 HydrophobicContact CB-CE 3.57Å; F96-N268 PolarHBondContact O-ND2 3.22Å
97G96.9Very high92.7Very high0 Ų064.8 Ų64.80%031%0.309CS..EExtended strand (participates in β ladder)trans-142.8164.7176.400000111.8V88 H89 G95 M266 N268V88-G97 WeakPolarHBondContact CA-O 3.45Å; V88-G97 WeakPolarHBondContact CG2-O 3.41Å; H89-G97 PolarHBondContact N-O 3.11Å; H89-G97 PolarHBondContact O-N 3.21Å; G95-G97 PolarHBondContact O-N 3.44Å; G97-M266 WeakPolarHBondContact CA-O 3Å; G97-N268 WeakPolarHBondContact CA-ND2 3.43Å
98L96.3Very high92.8Very high0 Ų064.9 Ų64.90%032%0.319CS..EExtended strand (participates in β ladder)trans-75.4140.1170.3-60.6-169.8000110.6L81 Y86 T87 I112 M266 M267 Q298 I299L81-L98 HydrophobicContact CD1-CD2 4.04Å; L81-L98 HydrophobicContact CD2-CD2 4.28Å; Y86-L98 HydrophobicContact CD2-CD1 3.92Å; Y86-L98 HydrophobicContact CD2-CD2 3.99Å; Y86-L98 HydrophobicContact CD2-CG 4.44Å; Y86-L98 HydrophobicContact CE2-CD1 4.15Å; Y86-L98 HydrophobicContact CE2-CD2 4.41Å; Y86-L98 HydrophobicContact CG-CD1 4.22Å; T87-L98 CarbonylContact O-C 3.6Å; T87-L98 VanDerWaalsContact O-CA 3.31Å; T87-L98 WeakPolarHBondContact O-CA 3.49Å; L98-I112 HydrophobicContact CD1-CD1 3.96Å; L98-M266 HydrophobicContact CD2-CB 3.85Å; L98-M266 HydrophobicContact CG-CB 4.08Å; L98-M267 HydrophobicContact CB-CG 4.19Å; L98-M267 HydrophobicContact CD1-CG 3.53Å; L98-M267 HydrophobicContact CD1-SD 4.17Å; L98-M267 HydrophobicContact CG-CG 3.85Å; L98-Q298 WeakPolarHBondContact O-CA 3.27Å; L98-I299 HydrophobicContact CB-CB 4.26Å; L98-I299 HydrophobicContact CB-CD1 4.5Å; L98-I299 PolarHBondContact O-N 2.89Å
99T95.5Very high92.9Very high13 Ų1367.6 Ų67.68%0.0833%0.332CS..EExtended strand (participates in β ladder)trans-125.7142.9174.9-172.90000110Y86 T87 H89 G296 D297Y86-T99 CarbonylContact C-O 3.58Å; Y86-T99 WeakPolarHBondContact CA-O 3.4Å; Y86-T99 WeakPolarHBondContact CB-O 3.42Å; T87-T99 HydrophobicContact CG2-CG2 3.37Å; T87-T99 PolarHBondContact N-O 3.33Å; T87-T99 PolarHBondContact O-N 2.78Å; H89-T99 HydrophobicContact CB-CG2 3.85Å; T99-G296 PolarHBondContact OG1-O 3.01Å; T99-D297 WeakPolarHBondContact CA-O 3.25Å; T99-D297 PolarHBondContact OG1-O 3.36Å
100A95.7Very high92.9Very high2 Ų267.7 Ų67.72%0.01733%0.332CS..EExtended strand (participates in β ladder)trans-68.7134.1175.200000110.9L105 K294 G296 D297 I299A100-L105 HydrophobicContact CB-CD1 4.02Å; A100-L105 HydrophobicContact CB-CG 4.44Å; A100-K294 WeakPolarHBondContact CB-O 3.09Å; A100-G296 PolarHBondContact O-N 2.95Å; A100-D297 PolarHBondContact N-O 2.8Å; A100-I299 HydrophobicContact CB-CD1 4.39Å; A100-I299 HydrophobicContact CB-CG1 4.49Å
101C87.5Confident92.9Very high38 Ų3863 Ų6326%0.25732%0.315SS..  trans-87.8-64.6-171.9-75.90000114.5N85 Y86 T87N85-C101 PolarHBondContact O-N 3.08Å; Y86-C101 VanDerWaalsContact CA-SG 3.6Å; T87-C101 WeakPolarHBondContact CB-SG 3.47Å; T87-C101 WeakPolarHBondContact CG2-SG 3.36Å; T87-C101 PolarHBondContact N-SG 3.15Å
102L74.4Confident92.9Very high147 Ų14761.5 Ų61.577%0.7731%0.309SS*.SBendtrans-131.4-33.7-159.9-66.7174000114.5
103S83.1Confident93.1Very high52 Ų5258.7 Ų58.736%0.36429%0.29SS..SBendtrans-112.7153.4-179.455.60000111.4L105S103-L105 PolarHBondContact O-N 3.05Å
104Y93.5Very high93.5Very high130 Ų13053.6 Ų53.651%0.5127%0.269SS..PPolyproline II helixtrans-63.9121165.1-179.9-91.8000108.8Q106 A292 Y293 K294Y104-Q106 HydrophobicContact CD1-CG 4.15Å; Y104-Q106 HydrophobicContact CE1-CG 4.05Å; Y104-A292 HydrophobicContact CE1-CB 3.9Å; Y104-A292 HydrophobicContact CE2-CB 4.07Å; Y104-A292 VanDerWaalsContact CZ-CB 3.41Å; Y104-A292 WeakPolarHBondContact OH-CB 3.46Å; Y104-Y293 WeakPolarHBondContact CA-O 3.15Å; Y104-K294 HydrophobicContact CD2-CG 4Å; Y104-K294 HydrophobicContact CE2-CG 4.2Å
105L95.6Very high93.6Very high0 Ų051.2 Ų51.20%027%0.265CS..BIsolated β-bridgetrans-87.7127.8172.7-55.1177.2000108.5N85 A100 S103 Q109 I111 T289 A292 Y293 I299N85-L105 HydrophobicContact CB-CD2 4.32Å; A100-L105 HydrophobicContact CB-CD1 4.02Å; A100-L105 HydrophobicContact CB-CG 4.44Å; S103-L105 PolarHBondContact O-N 3.05Å; L105-Q109 VanDerWaalsContact CA-OE1 3.31Å; L105-I111 HydrophobicContact CD1-CD1 4.39Å; L105-I111 HydrophobicContact CD1-CG2 4.25Å; L105-I111 HydrophobicContact CD2-CG2 4.14Å; L105-T289 HydrophobicContact CB-CG2 4.24Å; L105-T289 HydrophobicContact CD1-CG2 4.28Å; L105-A292 CarbonylContact O-C 3.6Å; L105-A292 WeakPolarHBondContact O-CA 3.42Å; L105-A292 WeakPolarHBondContact O-CB 3.41Å; L105-Y293 PolarHBondContact N-O 3.13Å; L105-Y293 PolarHBondContact O-N 2.99Å; L105-I299 HydrophobicContact CD1-CD1 3.75Å; L105-I299 HydrophobicContact CD1-CG1 4.41Å
106Q96.2Very high93.7Very high132 Ų13251.3 Ų51.362%0.61726%0.261SS*.PPolyproline II helixtrans-78.8156.8174.8-64.7-179.1-6.400110.3Y104 Q109 T289Y104-Q106 HydrophobicContact CD1-CG 4.15Å; Y104-Q106 HydrophobicContact CE1-CG 4.05Å; Q106-Q109 VanDerWaalsContact O-CB 3.24Å; Q106-Q109 WeakPolarHBondContact O-CB 3.28Å; Q106-Q109 PolarHBondContact O-N 3.25Å; Q106-T289 PolarHBondContact O-OG1 2.9Å
107E96.8Very high93.6Very high132 Ų13260.5 Ų60.562%0.61730%0.295SS*.THydrogen-bonded Turntrans-59.4139.3166.4-178.9178.3167.300110.2Q109E107-Q109 PolarHBondContact O-N 3.3Å
108G96.7Very high93.5Very high47 Ų4762 Ų6249%0.48531%0.307SS..THydrogen-bonded Turntrans76.62.1-178.500000114.9Q110 T289G108-Q110 PolarHBondContact O-N 3.49Å; G108-T289 PolarHBondContact N-O 3.25Å; G108-T289 PolarHBondContact N-OG1 2.92Å
109Q96.1Very high93.6Very high58 Ų5862 Ų6227%0.27131%0.307SS..  trans-71128177.8-175.5174.5-16.400111L105 Q106 E107 I111 C288 T289L105-Q109 VanDerWaalsContact CA-OE1 3.31Å; Q106-Q109 VanDerWaalsContact O-CB 3.24Å; Q106-Q109 WeakPolarHBondContact O-CB 3.28Å; Q106-Q109 PolarHBondContact O-N 3.25Å; E107-Q109 PolarHBondContact O-N 3.3Å; Q109-I111 HydrophobicContact CG-CG2 4.16Å; Q109-I111 PolarHBondContact O-N 3.13Å; Q109-C288 VanDerWaalsContact O-CA 3.32Å; Q109-C288 WeakPolarHBondContact O-CA 3.34Å; Q109-T289 PolarHBondContact N-OG1 2.94Å; Q109-T289 PolarHBondContact O-N 3.12Å; Q109-T289 PolarHBondContact O-OG1 2.85Å
110Q95.2Very high93.7Very high89 Ų8961.3 Ų61.342%0.41630%0.303SS..EExtended strand (participates in β ladder)trans-72.7118173.6-66.5-179.53.100110.1G108 I286 C288G108-Q110 PolarHBondContact O-N 3.49Å; Q110-I286 HydrophobicContact CB-CG2 4.23Å; Q110-I286 HydrophobicContact CG-CG2 3.73Å; Q110-C288 VanDerWaalsContact CG-SG 3.58Å
111I94.4Very high93.7Very high12 Ų1261.3 Ų61.36%0.06230%0.303CS..EExtended strand (participates in β ladder)trans-119.7-22.5179.664.8166000113.6N85 Y86 L105 Q109 F287 T289 I299N85-I111 HydrophobicContact CB-CB 4.41Å; N85-I111 HydrophobicContact CB-CG2 4.36Å; Y86-I111 HydrophobicContact CD1-CB 4.43Å; Y86-I111 HydrophobicContact CD1-CD1 4.1Å; Y86-I111 WeakPolarHBondContact CE1-O 3.34Å; L105-I111 HydrophobicContact CD1-CD1 4.39Å; L105-I111 HydrophobicContact CD1-CG2 4.25Å; L105-I111 HydrophobicContact CD2-CG2 4.14Å; Q109-I111 HydrophobicContact CG-CG2 4.16Å; Q109-I111 PolarHBondContact O-N 3.13Å; I111-F287 HydrophobicContact CD1-CD1 4.07Å; I111-F287 HydrophobicContact CD1-CE1 3.79Å; I111-F287 HydrophobicContact CG1-CD1 3.67Å; I111-F287 HydrophobicContact CG1-CE1 3.87Å; I111-F287 PolarHBondContact N-O 3.42Å; I111-T289 HydrophobicContact CD1-CG2 4.01Å; I111-T289 HydrophobicContact CG1-CG2 4.32Å; I111-T289 HydrophobicContact CG2-CG2 4.12Å; I111-I299 HydrophobicContact CD1-CD1 3.78Å; I111-I299 HydrophobicContact CD1-CG2 4.05Å
112I95.3Very high94Very high3 Ų361.7 Ų61.72%0.01530%0.304CS..EExtended strand (participates in β ladder)trans-125.4129.9175.3-65.1168.7000108.6Y86 L98 L114 V263 W264 M267 I286 F287Y86-I112 HydrophobicContact CE1-CD1 4.34Å; Y86-I112 HydrophobicContact CE1-CG1 3.66Å; L98-I112 HydrophobicContact CD1-CD1 3.96Å; I112-L114 HydrophobicContact CG2-CD1 3.8Å; I112-L114 HydrophobicContact CG2-CD2 4.44Å; I112-L114 HydrophobicContact CG2-CG 3.71Å; I112-V263 HydrophobicContact CD1-CG1 4.2Å; I112-W264 HydrophobicContact CD1-CB 4.43Å; I112-W264 HydrophobicContact CG2-CB 4.47Å; I112-M267 HydrophobicContact CD1-CE 3.93Å; I112-M267 HydrophobicContact CD1-SD 4.23Å; I112-I286 WeakPolarHBondContact O-CA 3.31Å; I112-F287 HydrophobicContact CB-CB 4.21Å; I112-F287 HydrophobicContact CD1-CD1 4.43Å; I112-F287 PolarHBondContact O-N 3.17Å
113R95.7Very high94.9Very high129 Ų12957.7 Ų57.749%0.48728%0.281SS..EExtended strand (participates in β ladder)trans-134.8118.1172.6-64.4-179.661.7162.9-3.1108.2E284 L285 I286R113-E284 IonicContact CZ-OE2 3.27Å; R113-E284 VanDerWaalsContact CZ-OE2 3.32Å; R113-E284 IonicContact NE-OE2 2.65Å; R113-E284 PolarHBondContact NE-OE2 2.88Å; R113-E284 IonicContact NH2-OE2 2.78Å; R113-E284 PolarHBondContact NH2-OE2 3.19Å; R113-L285 CarbonylContact C-O 3.59Å; R113-L285 WeakPolarHBondContact CA-O 3.08Å; R113-I286 HydrophobicContact CG-CD1 4.46Å; R113-I286 HydrophobicContact CG-CG1 4.1Å; R113-I286 HydrophobicContact CG-CG2 4.14Å
114L95.5Very high95.4Very high24 Ų2457.4 Ų57.413%0.12628%0.276CS..EExtended strand (participates in β ladder)trans-125.9118.9-174.8-66172.4000109.6I112 A118 I261 P262 W264 E284 L285I112-L114 HydrophobicContact CG2-CD1 3.8Å; I112-L114 HydrophobicContact CG2-CD2 4.44Å; I112-L114 HydrophobicContact CG2-CG 3.71Å; L114-A118 HydrophobicContact CB-CB 4.46Å; L114-A118 HydrophobicContact CD2-CB 4.4Å; L114-I261 HydrophobicContact CD1-CG2 3.47Å; L114-I261 VanDerWaalsContact CD1-CG2 3.47Å; L114-P262 VanDerWaalsContact CD1-O 3.28Å; L114-P262 WeakPolarHBondContact CD1-O 3.5Å; L114-W264 HydrophobicContact CD1-CB 4.14Å; L114-E284 CarbonylContact O-C 3.47Å; L114-E284 VanDerWaalsContact O-CA 3.29Å; L114-E284 WeakPolarHBondContact O-CA 3.2Å; L114-L285 PolarHBondContact N-O 3.24Å; L114-L285 PolarHBondContact O-N 2.85Å
115P96Very high95.4Very high41 Ų4151.3 Ų51.327%0.26625%0.252SS..EExtended strand (participates in β ladder)trans-66.4155.2173.730.3-35.6000110.3R117 A118P115-R117 HydrophobicContact CB-CG 4.23Å; P115-R117 HydrophobicContact CG-CG 3.99Å; P115-R117 PolarHBondContact O-N 3.19Å; P115-A118 HydrophobicContact CG-CB 4.12Å; P115-A118 VanDerWaalsContact O-CB 3.31Å; P115-A118 WeakPolarHBondContact O-CB 3.5Å; P115-A118 PolarHBondContact O-N 2.98Å
116R95.2Very high95.2Very high17 Ų1753.7 Ų53.76%0.06427%0.269CS..G310 helixtrans-44.4-44176.5-176.6172.7-72-81.6-3.5114A118 V119 N124 I248 P249 Y278 D283R116-A118 PolarHBondContact O-N 3.02Å; R116-A118 VanDerWaalsContact O-N 3.08Å; R116-V119 WeakPolarHBondContact O-CG2 3.16Å; R116-V119 PolarHBondContact O-N 3.43Å; R116-N124 PolarHBondContact O-ND2 2.72Å; R116-I248 HydrophobicContact CG-CD1 4.31Å; R116-I248 VanDerWaalsContact NH1-CD1 3.32Å; R116-P249 VanDerWaalsContact CZ-O 3.23Å; R116-P249 PolarHBondContact NH1-O 2.91Å; R116-P249 PolarHBondContact NH2-O 3.33Å; R116-Y278 WeakPolarHBondContact CB-OH 3.2Å; R116-Y278 PolarHBondContact NE-OH 3.27Å; R116-Y278 PolarHBondContact NH2-OH 3.31Å; R116-D283 WeakPolarHBondContact CB-OD2 3.24Å; R116-D283 WeakPolarHBondContact CD-OD2 3.49Å; R116-D283 IonicContact CZ-OD1 3.36Å; R116-D283 PolarHBondContact N-O 3Å; R116-D283 IonicContact NE-OD1 2.97Å; R116-D283 PolarHBondContact NE-OD1 2.9Å; R116-D283 IonicContact NE-OD2 3.1Å; R116-D283 PolarHBondContact NE-OD2 3.39Å; R116-D283 IonicContact NH2-OD1 3.32Å; R116-D283 PolarHBondContact NH2-OD1 3.08Å
117R94.7Very high95Very high204 Ų20447.7 Ų47.777%0.7724%0.241SC*.G310 helixtrans-61.1-17.2-179.470-177.5-179.4100.50.4114.5P115P115-R117 HydrophobicContact CB-CG 4.23Å; P115-R117 HydrophobicContact CG-CG 3.99Å; P115-R117 PolarHBondContact O-N 3.19Å
118A95.3Very high94.9Very high31 Ų3144.9 Ų44.926%0.25623%0.227SC..G310 helixtrans-88.3-9.7178.300000113.2L114 P115 R116 P262L114-A118 HydrophobicContact CB-CB 4.46Å; L114-A118 HydrophobicContact CD2-CB 4.4Å; P115-A118 HydrophobicContact CG-CB 4.12Å; P115-A118 VanDerWaalsContact O-CB 3.31Å; P115-A118 WeakPolarHBondContact O-CB 3.5Å; P115-A118 PolarHBondContact O-N 2.98Å; R116-A118 PolarHBondContact O-N 3.02Å; R116-A118 VanDerWaalsContact O-N 3.08Å; A118-P262 WeakPolarHBondContact O-CD 3.33Å
119V96.4Very high94.8Very high0 Ų042.7 Ų42.70%020%0.204CC..SBendtrans-83.6141.4173.9-51.70000111.1R116 C121 N124 W163 I248 C259 I261R116-V119 WeakPolarHBondContact O-CG2 3.16Å; R116-V119 PolarHBondContact O-N 3.43Å; V119-C121 PolarHBondContact O-N 3.19Å; V119-N124 WeakPolarHBondContact O-CB 3.43Å; V119-N124 PolarHBondContact O-ND2 2.68Å; V119-W163 VanDerWaalsContact C-CH2 3.42Å; V119-W163 WeakPolarHBondContact O-CH2 3.49Å; V119-I248 HydrophobicContact CB-CD1 4.48Å; V119-I248 HydrophobicContact CG1-CD1 4.37Å; V119-I248 HydrophobicContact CG2-CD1 3.45Å; V119-I248 VanDerWaalsContact CG2-CD1 3.45Å; V119-C259 HydrophobicContact CB-CB 4.22Å; V119-C259 HydrophobicContact CG2-CB 4.08Å; V119-I261 HydrophobicContact CG1-CG1 4.18Å; V119-I261 HydrophobicContact CG1-CG2 4.36Å
120F97.8Very high94.6Very high0 Ų045.2 Ų45.20%021%0.211CC..BIsolated β-bridgetrans-85.8107.8175.7-175.8-99.1000110.3L147 C150 L151 E154 W163 Y166 C259 L260F120-L147 HydrophobicContact CD1-CD1 3.77Å; F120-L147 HydrophobicContact CE1-CD1 3.8Å; F120-C150 HydrophobicContact CE1-CB 4.33Å; F120-C150 HydrophobicContact CZ-CB 4.17Å; F120-L151 HydrophobicContact CE1-CB 3.87Å; F120-L151 HydrophobicContact CE1-CD1 4.03Å; F120-L151 HydrophobicContact CZ-CB 4.25Å; F120-L151 HydrophobicContact CZ-CD1 4.27Å; F120-E154 HydrophobicContact CE2-CG 3.77Å; F120-E154 HydrophobicContact CZ-CG 3.92Å; F120-W163 HydrophobicContact CB-CE3 4.12Å; F120-W163 HydrophobicContact CB-CH2 4.18Å; F120-W163 HydrophobicContact CB-CZ3 3.89Å; F120-W163 HydrophobicContact CD2-CB 4.34Å; F120-W163 AromaticContact CD2-CD2 3.41Å; F120-W163 HydrophobicContact CD2-CD2 3.41Å; F120-W163 VanDerWaalsContact CD2-CD2 3.41Å; F120-W163 AromaticContact CD2-CE2 3.65Å; F120-W163 AromaticContact CD2-CE3 3.7Å; F120-W163 HydrophobicContact CD2-CE3 3.7Å; F120-W163 AromaticContact CD2-CG 3.68Å; F120-W163 HydrophobicContact CD2-CG 3.68Å; F120-W163 HydrophobicContact CD2-CH2 4.4Å; F120-W163 HydrophobicContact CD2-CZ2 4.16Å; F120-W163 HydrophobicContact CD2-CZ3 4.18Å; F120-W163 HydrophobicContact CE2-CB 4.28Å; F120-W163 AromaticContact CE2-CD1 3.86Å; F120-W163 HydrophobicContact CE2-CD2 4.01Å; F120-W163 AromaticContact CE2-CG 3.78Å; F120-W163 HydrophobicContact CE2-CG 3.78Å; F120-W163 HydrophobicContact CG-CD2 4.47Å; F120-W163 HydrophobicContact CG-CE3 4.38Å; F120-Y166 HydrophobicContact CB-CE1 4.15Å; F120-Y166 HydrophobicContact CG-CE1 4.42Å; F120-C259 CarbonylContact O-C 3.35Å; F120-C259 WeakPolarHBondContact O-CA 3.37Å; F120-C259 VanDerWaalsContact O-CB 3.32Å; F120-C259 WeakPolarHBondContact O-CB 3.36Å; F120-L260 HydrophobicContact CB-CB 4.08Å; F120-L260 HydrophobicContact CD1-CB 4.46Å; F120-L260 HydrophobicContact CD1-CD1 3.83Å; F120-L260 HydrophobicContact CD1-CG 4.06Å; F120-L260 PolarHBondContact N-O 2.9Å; F120-L260 PolarHBondContact O-N 3.49Å
121C96.3Very high94.5Very high2 Ų246.8 Ų46.81%0.01422%0.218CC..SBendtrans-142.8174.7176.566.10000110.5V119 E123 N124 S125 I257 C259V119-C121 PolarHBondContact O-N 3.19Å; C121-E123 PolarHBondContact O-N 3.2Å; C121-N124 PolarHBondContact O-N 2.96Å; C121-N124 PolarHBondContact SG-N 3.48Å; C121-S125 VanDerWaalsContact O-CB 3.3Å; C121-S125 WeakPolarHBondContact O-CB 3.38Å; C121-S125 PolarHBondContact O-N 3.37Å; C121-I257 HydrophobicContact CB-CD1 4.38Å; C121-C259 HydrophobicContact CB-CB 3.8Å
122V94.3Very high94.6Very high46 Ų4647.3 Ų47.328%0.27922%0.22SC..THydrogen-bonded Turntrans-55.1-41177.2-178.10000111.4R130 A146V122-R130 PolarHBondContact O-NH2 3.5Å; V122-A146 HydrophobicContact CG2-CB 3.98Å
123E92Very high94.6Very high63 Ų6347.4 Ų47.429%0.29422%0.221SC..THydrogen-bonded Turntrans-66.6-41-177.9-58.3177.4167.100112.7C121 R130 H250 I257C121-E123 PolarHBondContact O-N 3.2Å; E123-R130 PolarHBondContact O-NH2 3.44Å; E123-H250 IonicContact OE1-CD2 2.96Å; E123-H250 IonicContact OE1-CE1 3.4Å; E123-H250 IonicContact OE1-NE2 3.62Å; E123-I257 WeakPolarHBondContact OE2-CD1 3.38Å
124N94.5Very high94.6Very high46 Ų4644.5 Ų44.525%0.24622%0.224CC..THydrogen-bonded Turntrans-90.3-12.3-175.7-66.4-16.7000113.9R116 V119 C121 W163R116-N124 PolarHBondContact O-ND2 2.72Å; V119-N124 WeakPolarHBondContact O-CB 3.43Å; V119-N124 PolarHBondContact O-ND2 2.68Å; C121-N124 PolarHBondContact O-N 2.96Å; C121-N124 PolarHBondContact SG-N 3.48Å; N124-W163 HydrophobicContact CB-CZ2 3.97Å; N124-W163 PolarHBondContact O-NE1 3.35Å
125S93.3Very high94.5Very high1 Ų149.9 Ų49.91%0.00725%0.249CC..  trans-77.2131.9-179.5171.70000111.8C121 T127 R130 E154C121-S125 VanDerWaalsContact O-CB 3.3Å; C121-S125 WeakPolarHBondContact O-CB 3.38Å; C121-S125 PolarHBondContact O-N 3.37Å; S125-T127 PolarHBondContact O-N 3.21Å; S125-T127 VanDerWaalsContact OG-CB 3.22Å; S125-T127 WeakPolarHBondContact OG-CB 3.3Å; S125-T127 VanDerWaalsContact OG-CG2 3.27Å; S125-T127 WeakPolarHBondContact OG-CG2 3.43Å; S125-T127 PolarHBondContact OG-N 2.98Å; S125-T127 VanDerWaalsContact OG-N 3.12Å; S125-R130 PolarHBondContact O-NH2 3.49Å; S125-E154 WeakPolarHBondContact OG-CG 3.37Å; S125-E154 PolarHBondContact OG-OE1 3.14Å
126S90.7Very high94.5Very high51 Ų5148.4 Ų48.436%0.35724%0.239SC..  trans-78.414170.564.60000114F128 E154 T162S126-F128 PolarHBondContact O-N 2.91Å; S126-E154 WeakPolarHBondContact CA-OE1 3.27Å; S126-E154 PolarHBondContact N-OE1 3.27Å; S126-E154 PolarHBondContact OG-OE1 3.46Å; S126-E154 PolarHBondContact OG-OE2 2.93Å; S126-T162 PolarHBondContact OG-OG1 3.29Å
127T93.8Very high94.6Very high6 Ų654 Ų544%0.03727%0.27CS..  trans-56.9134.6-175.2-176.40000112.8S125 L129 R130 C150 G153 E154S125-T127 PolarHBondContact O-N 3.21Å; S125-T127 VanDerWaalsContact OG-CB 3.22Å; S125-T127 WeakPolarHBondContact OG-CB 3.3Å; S125-T127 VanDerWaalsContact OG-CG2 3.27Å; S125-T127 WeakPolarHBondContact OG-CG2 3.43Å; S125-T127 PolarHBondContact OG-N 2.98Å; S125-T127 VanDerWaalsContact OG-N 3.12Å; T127-L129 PolarHBondContact O-N 3.36Å; T127-L129 PolarHBondContact OG1-N 2.94Å; T127-R130 HydrophobicContact CG2-CB 4.24Å; T127-R130 PolarHBondContact O-N 3.12Å; T127-C150 HydrophobicContact CG2-CB 4.24Å; T127-G153 WeakPolarHBondContact OG1-CA 3.47Å; T127-E154 PolarHBondContact N-OE1 3.5Å; T127-E154 VanDerWaalsContact N-OE1 3.08Å
128F93Very high94.6Very high72 Ų7246.3 Ų46.332%0.31624%0.244SC..THydrogen-bonded Turntrans-68.8-12.7171.762.3-95.6000112.8S126 R130 G153 Y156 Q157 I222 I224S126-F128 PolarHBondContact O-N 2.91Å; F128-R130 VanDerWaalsContact C-N 3.27Å; F128-R130 PolarHBondContact O-N 3.44Å; F128-G153 WeakPolarHBondContact CE1-O 3.49Å; F128-Y156 HydrophobicContact CZ-CD2 4.23Å; F128-Q157 HydrophobicContact CD1-CG 3.63Å; F128-Q157 HydrophobicContact CE1-CG 3.76Å; F128-I222 HydrophobicContact CE2-CB 4.38Å; F128-I222 HydrophobicContact CE2-CG1 4.19Å; F128-I222 HydrophobicContact CE2-CG2 4.01Å; F128-I222 HydrophobicContact CZ-CG2 4.22Å; F128-I224 HydrophobicContact CE1-CD1 3.91Å; F128-I224 HydrophobicContact CZ-CD1 3.65Å; F128-I224 HydrophobicContact CZ-CG1 4.47Å
129L94.6Very high94.7Very high1 Ų144.8 Ų44.81%0.00523%0.232CC..THydrogen-bonded Turntrans-81.5-1.6177.6-66177.2000113.7T127 E131 F132 I133 L149 F215 I221 I222T127-L129 PolarHBondContact O-N 3.36Å; T127-L129 PolarHBondContact OG1-N 2.94Å; L129-E131 VanDerWaalsContact C-N 3.33Å; L129-E131 PolarHBondContact O-N 2.91Å; L129-F132 WeakPolarHBondContact O-CB 3.22Å; L129-F132 PolarHBondContact O-N 2.96Å; L129-F132 VanDerWaalsContact O-N 3.14Å; L129-I133 HydrophobicContact CB-CD1 4.17Å; L129-I133 VanDerWaalsContact O-CG1 3.31Å; L129-I133 WeakPolarHBondContact O-CG1 3.33Å; L129-I133 PolarHBondContact O-N 2.79Å; L129-L149 WeakPolarHBondContact CD1-O 3.48Å; L129-F215 HydrophobicContact CD2-CE1 4.46Å; L129-I221 HydrophobicContact CD2-CG2 3.98Å; L129-I222 HydrophobicContact CD2-CD1 4.32Å; L129-I222 HydrophobicContact CD2-CG1 4.07Å
130R93.6Very high94.6Very high112 Ų11248.1 Ų48.142%0.42326%0.255SS..Hα-helixtrans-54-46.9-174.9-177.3-177.7-73-137-2.7112.8V122 E123 S125 T127 F128 I133 A134V122-R130 PolarHBondContact O-NH2 3.5Å; E123-R130 PolarHBondContact O-NH2 3.44Å; S125-R130 PolarHBondContact O-NH2 3.49Å; T127-R130 HydrophobicContact CG2-CB 4.24Å; T127-R130 PolarHBondContact O-N 3.12Å; F128-R130 VanDerWaalsContact C-N 3.27Å; F128-R130 PolarHBondContact O-N 3.44Å; R130-I133 PolarHBondContact O-N 2.8Å; R130-A134 PolarHBondContact O-N 2.64Å; R130-A134 VanDerWaalsContact O-N 3.08Å
131E93.2Very high94.5Very high121 Ų12152.2 Ų52.257%0.56528%0.284SS*.Hα-helixtrans-66.1-40.7-179.4-170.863-165.900111.7L129 I133 A134 Q135L129-E131 VanDerWaalsContact C-N 3.33Å; L129-E131 PolarHBondContact O-N 2.91Å; E131-I133 PolarHBondContact O-N 3.25Å; E131-A134 PolarHBondContact O-N 2.94Å; E131-Q135 WeakPolarHBondContact O-CG 3.45Å; E131-Q135 PolarHBondContact O-N 3.45Å; E131-Q135 VanDerWaalsContact O-N 3.13Å; E131-Q135 PolarHBondContact OE1-NE2 3.35Å
132F94.7Very high94.5Very high23 Ų2355 Ų5510%0.10130%0.297CS..Hα-helixtrans-60.8-46.2174.8172.1-99.9000111.4L129 A134 Q135 D136 L149 F211 H214 F215 I221L129-F132 WeakPolarHBondContact O-CB 3.22Å; L129-F132 PolarHBondContact O-N 2.96Å; L129-F132 VanDerWaalsContact O-N 3.14Å; F132-A134 VanDerWaalsContact C-N 3.29Å; F132-A134 PolarHBondContact O-N 3.28Å; F132-Q135 PolarHBondContact O-N 2.98Å; F132-D136 HydrophobicContact CD2-CB 4.49Å; F132-D136 HydrophobicContact CE1-CB 4.19Å; F132-D136 HydrophobicContact CE2-CB 4.06Å; F132-D136 HydrophobicContact CZ-CB 3.89Å; F132-D136 WeakPolarHBondContact O-CB 3.45Å; F132-D136 PolarHBondContact O-N 3.2Å; F132-L149 HydrophobicContact CD1-CD1 4.36Å; F132-L149 HydrophobicContact CE1-CD1 3.96Å; F132-F211 AromaticContact CE1-CD1 3.95Å; F132-F211 HydrophobicContact CE1-CD1 3.95Å; F132-F211 HydrophobicContact CE1-CE1 4Å; F132-F211 AromaticContact CZ-CD1 3.92Å; F132-F211 HydrophobicContact CZ-CD1 3.92Å; F132-F211 HydrophobicContact CZ-CE1 4.12Å; F132-H214 HydrophobicContact CE2-CB 4.39Å; F132-H214 HydrophobicContact CZ-CB 4.41Å; F132-F215 AromaticContact CD1-CE1 3.9Å; F132-F215 HydrophobicContact CD1-CE1 3.9Å; F132-F215 HydrophobicContact CD1-CZ 4.08Å; F132-F215 HydrophobicContact CD2-CE1 4.36Å; F132-F215 AromaticContact CE1-CE1 3.65Å; F132-F215 HydrophobicContact CE1-CE1 3.65Å; F132-F215 AromaticContact CE1-CZ 3.67Å; F132-F215 HydrophobicContact CE1-CZ 3.67Å; F132-F215 HydrophobicContact CE2-CE1 4.13Å; F132-F215 HydrophobicContact CG-CE1 4.26Å; F132-F215 AromaticContact CZ-CE1 3.78Å; F132-F215 HydrophobicContact CZ-CE1 3.78Å; F132-F215 HydrophobicContact CZ-CZ 4.12Å; F132-I221 HydrophobicContact CB-CG2 3.94Å; F132-I221 HydrophobicContact CD2-CD1 3.77Å; F132-I221 HydrophobicContact CD2-CG2 4.11Å; F132-I221 HydrophobicContact CE2-CD1 4.03Å; F132-I221 HydrophobicContact CG-CG2 4.03Å
133I96.1Very high94.6Very high6 Ų657.2 Ų57.23%0.03130%0.304CS..Hα-helixtrans-59.6-40.9179.4-68.7164.4000111.2L129 R130 E131 A139 S140 A146 L149 C150L129-I133 HydrophobicContact CB-CD1 4.17Å; L129-I133 VanDerWaalsContact O-CG1 3.31Å; L129-I133 WeakPolarHBondContact O-CG1 3.33Å; L129-I133 PolarHBondContact O-N 2.79Å; R130-I133 PolarHBondContact O-N 2.8Å; E131-I133 PolarHBondContact O-N 3.25Å; I133-A139 HydrophobicContact CB-CB 4.43Å; I133-A139 HydrophobicContact CG2-CB 4.23Å; I133-S140 WeakPolarHBondContact O-CB 3.25Å; I133-S140 PolarHBondContact O-N 3.49Å; I133-A146 HydrophobicContact CG2-CB 3.67Å; I133-L149 HydrophobicContact CD1-CB 3.75Å; I133-L149 HydrophobicContact CG1-CB 3.91Å; I133-L149 HydrophobicContact CG1-CD1 4.05Å; I133-C150 WeakPolarHBondContact CD1-SG 3.42Å
134A95.1Very high94.8Very high67 Ų6757.2 Ų57.255%0.55431%0.306SS*.Hα-helixtrans-69.4-33.4179.900000113.3R130 E131 F132R130-A134 PolarHBondContact O-N 2.64Å; R130-A134 VanDerWaalsContact O-N 3.08Å; E131-A134 PolarHBondContact O-N 2.94Å; F132-A134 VanDerWaalsContact C-N 3.29Å; F132-A134 PolarHBondContact O-N 3.28Å
135Q95Very high95Very high137 Ų13755.1 Ų55.164%0.6430%0.295SS*.Hα-helixtrans-90.6-26-177-66.3-179.26.300113.9E131 F132E131-Q135 WeakPolarHBondContact O-CG 3.45Å; E131-Q135 PolarHBondContact O-N 3.45Å; E131-Q135 VanDerWaalsContact O-N 3.13Å; E131-Q135 PolarHBondContact OE1-NE2 3.35Å; F132-Q135 PolarHBondContact O-N 2.98Å
136D95.7Very high95.2Very high10 Ų1055.4 Ų55.45%0.05330%0.297CS..  trans-77.5128.6-177.2-178.2-92.7000111.6F132 L138 A139 S140 Y210F132-D136 HydrophobicContact CD2-CB 4.49Å; F132-D136 HydrophobicContact CE1-CB 4.19Å; F132-D136 HydrophobicContact CE2-CB 4.06Å; F132-D136 HydrophobicContact CZ-CB 3.89Å; F132-D136 WeakPolarHBondContact O-CB 3.45Å; F132-D136 PolarHBondContact O-N 3.2Å; D136-L138 VanDerWaalsContact C-N 3.3Å; D136-L138 PolarHBondContact O-N 3.46Å; D136-L138 WeakPolarHBondContact OD1-CB 3.05Å; D136-L138 PolarHBondContact OD1-N 3.38Å; D136-A139 HydrophobicContact CB-CB 4.04Å; D136-A139 PolarHBondContact O-N 2.88Å; D136-A139 PolarHBondContact OD1-N 3.31Å; D136-S140 VanDerWaalsContact O-CB 3.22Å; D136-S140 WeakPolarHBondContact O-CB 3.17Å; D136-S140 PolarHBondContact O-N 2.78Å; D136-S140 PolarHBondContact O-OG 3.36Å; D136-Y210 WeakPolarHBondContact OD2-CE1 3.43Å; D136-Y210 PolarHBondContact OD2-OH 2.68Å
137N95.7Very high95.6Very high134 Ų13453 Ų5372%0.71728%0.281SS*.Hα-helixtrans-62.1-35.7-175.6-71.9-23.9000113.2S141N137-S141 WeakPolarHBondContact O-CB 3.28Å; N137-S141 PolarHBondContact O-OG 3.48Å
138L95.6Very high95.8Very high43 Ų4352.9 Ų52.923%0.22528%0.28CS..Hα-helixtrans-78.6-46.3-177.9-177.965.5000110.4D136 S141 M142 Q207 Y210 F211D136-L138 VanDerWaalsContact C-N 3.3Å; D136-L138 PolarHBondContact O-N 3.46Å; D136-L138 WeakPolarHBondContact OD1-CB 3.05Å; D136-L138 PolarHBondContact OD1-N 3.38Å; L138-S141 PolarHBondContact O-OG 2.97Å; L138-M142 HydrophobicContact CD1-CG 4.47Å; L138-M142 HydrophobicContact CD1-SD 3.54Å; L138-M142 VanDerWaalsContact CD1-SD 3.54Å; L138-M142 HydrophobicContact CG-SD 4.43Å; L138-M142 WeakPolarHBondContact O-CB 3.33Å; L138-M142 PolarHBondContact O-N 3.46Å; L138-Q207 HydrophobicContact CD2-CG 4.27Å; L138-Y210 HydrophobicContact CB-CD1 4.41Å; L138-Y210 HydrophobicContact CB-CE1 3.87Å; L138-Y210 HydrophobicContact CD2-CD1 3.59Å; L138-Y210 HydrophobicContact CD2-CE1 3.92Å; L138-Y210 HydrophobicContact CD2-CG 4.18Å; L138-F211 HydrophobicContact CB-CZ 4.33Å; L138-F211 HydrophobicContact CD2-CE1 4.44Å; L138-F211 HydrophobicContact CD2-CE2 3.91Å; L138-F211 HydrophobicContact CD2-CZ 3.67Å; L138-F211 HydrophobicContact CG-CZ 4.08Å
139A96.7Very high96.1Very high0 Ų049.5 Ų49.50%027%0.265CS..Hα-helixtrans-67-44-179.800000112.2I133 D136 S141 M142 L149 F211I133-A139 HydrophobicContact CB-CB 4.43Å; I133-A139 HydrophobicContact CG2-CB 4.23Å; D136-A139 HydrophobicContact CB-CB 4.04Å; D136-A139 PolarHBondContact O-N 2.88Å; D136-A139 PolarHBondContact OD1-N 3.31Å; A139-S141 VanDerWaalsContact C-N 3.29Å; A139-S141 PolarHBondContact O-N 3.17Å; A139-M142 PolarHBondContact O-N 3.36Å; A139-L149 HydrophobicContact CB-CD1 3.77Å; A139-F211 HydrophobicContact CB-CE1 4.44Å; A139-F211 HydrophobicContact CB-CZ 4.44Å
140S95.6Very high96.2Very high69 Ų6949.4 Ų49.448%0.48327%0.265SS..Hα-helixtrans-67.6-25.7-179.459.80000114I133 D136I133-S140 WeakPolarHBondContact O-CB 3.25Å; I133-S140 PolarHBondContact O-N 3.49Å; D136-S140 VanDerWaalsContact O-CB 3.22Å; D136-S140 WeakPolarHBondContact O-CB 3.17Å; D136-S140 PolarHBondContact O-N 2.78Å; D136-S140 PolarHBondContact O-OG 3.36Å
141S95.5Very high96.4Very high87 Ų8744.1 Ų44.161%0.60825%0.245SC*.Hα-helixtrans-91.6-13.4-179.960.80000114.3N137 L138 A139N137-S141 WeakPolarHBondContact O-CB 3.28Å; N137-S141 PolarHBondContact O-OG 3.48Å; L138-S141 PolarHBondContact O-OG 2.97Å; A139-S141 VanDerWaalsContact C-N 3.29Å; A139-S141 PolarHBondContact O-N 3.17Å
142M96.2Very high96.6Very high60 Ų6038.3 Ų38.330%0.29622%0.218SC..  trans-126.898.4-174.7-64.3-17370.500111L138 A139 N144 V145 A146L138-M142 HydrophobicContact CD1-CG 4.47Å; L138-M142 HydrophobicContact CD1-SD 3.54Å; L138-M142 VanDerWaalsContact CD1-SD 3.54Å; L138-M142 HydrophobicContact CG-SD 4.43Å; L138-M142 WeakPolarHBondContact O-CB 3.33Å; L138-M142 PolarHBondContact O-N 3.46Å; A139-M142 PolarHBondContact O-N 3.36Å; M142-N144 VanDerWaalsContact C-N 3.26Å; M142-N144 PolarHBondContact O-N 3.43Å; M142-V145 HydrophobicContact CB-CB 3.87Å; M142-V145 HydrophobicContact CB-CG2 3.74Å; M142-V145 HydrophobicContact CE-CG2 3.96Å; M142-V145 HydrophobicContact CG-CG2 4.49Å; M142-V145 WeakPolarHBondContact O-CA 3.34Å; M142-V145 WeakPolarHBondContact O-CB 3.28Å; M142-V145 PolarHBondContact O-N 3.24Å; M142-V145 HydrophobicContact SD-CG2 4.01Å; M142-A146 PolarHBondContact O-N 3.46Å
143E95.7Very high96.7Very high92 Ų9237.2 Ų37.243%0.4321%0.213SC..Hα-helixtrans-54.9-38.4-177-69.1-177-165.900113.9A146 L147 Y247 M258E143-A146 PolarHBondContact O-N 3.33Å; E143-L147 WeakPolarHBondContact O-CB 3.21Å; E143-L147 PolarHBondContact O-N 3.2Å; E143-Y247 WeakPolarHBondContact OE2-CE1 3.38Å; E143-M258 HydrophobicContact CB-CB 4.13Å; E143-M258 PolarHBondContact OE2-N 2.96Å
144N97.4Very high96.8Very high64 Ų6437 Ų3734%0.34221%0.212SC..Hα-helixtrans-64.4-40.4176.761.8-33.1000112M142 L147 C148 V241 M258M142-N144 VanDerWaalsContact C-N 3.26Å; M142-N144 PolarHBondContact O-N 3.43Å; N144-L147 PolarHBondContact O-N 3.39Å; N144-C148 PolarHBondContact O-N 3.24Å; N144-C148 PolarHBondContact O-SG 3.18Å; N144-V241 HydrophobicContact CB-CG1 4.28Å; N144-M258 VanDerWaalsContact CA-SD 3.53Å; N144-M258 HydrophobicContact CB-CE 4.06Å; N144-M258 HydrophobicContact CB-SD 3.72Å
145V98.1Very high96.9Very high1 Ų134.3 Ų34.31%0.00619%0.188CC..Hα-helixtrans-69.1-43176.5178.50000110.4M142 L147 C148 L149 F211M142-V145 HydrophobicContact CB-CB 3.87Å; M142-V145 HydrophobicContact CB-CG2 3.74Å; M142-V145 HydrophobicContact CE-CG2 3.96Å; M142-V145 HydrophobicContact CG-CG2 4.49Å; M142-V145 WeakPolarHBondContact O-CA 3.34Å; M142-V145 WeakPolarHBondContact O-CB 3.28Å; M142-V145 PolarHBondContact O-N 3.24Å; M142-V145 HydrophobicContact SD-CG2 4.01Å; V145-L147 VanDerWaalsContact C-N 3.34Å; V145-L147 PolarHBondContact O-N 3.36Å; V145-C148 WeakPolarHBondContact O-CB 3.45Å; V145-C148 PolarHBondContact O-N 3.12Å; V145-L149 HydrophobicContact CG1-CD1 4.41Å; V145-L149 WeakPolarHBondContact O-CG 3.47Å; V145-L149 PolarHBondContact O-N 3.22Å; V145-F211 HydrophobicContact CG1-CE2 3.48Å; V145-F211 VanDerWaalsContact CG1-CE2 3.48Å; V145-F211 HydrophobicContact CG1-CZ 3.45Å; V145-F211 VanDerWaalsContact CG1-CZ 3.45Å
146A98Very high96.9Very high7 Ų728.1 Ų28.16%0.05816%0.159CC..Hα-helixtrans-56.2-48.3173.300000111.5V122 I133 M142 E143 C148 L149 C150V122-A146 HydrophobicContact CG2-CB 3.98Å; I133-A146 HydrophobicContact CG2-CB 3.67Å; M142-A146 PolarHBondContact O-N 3.46Å; E143-A146 PolarHBondContact O-N 3.33Å; A146-C148 VanDerWaalsContact C-N 3.34Å; A146-C148 PolarHBondContact O-N 3.25Å; A146-L149 PolarHBondContact O-N 3.06Å; A146-C150 PolarHBondContact O-N 3.31Å; A146-C150 PolarHBondContact O-SG 3Å
147L98.4Very high96.9Very high1 Ų129.3 Ų29.31%0.00516%0.164CC..Hα-helixtrans-63.8-37.6178.6-171.960.5000112.3F120 E143 N144 V145 C150 L151 V241 M258 L260F120-L147 HydrophobicContact CD1-CD1 3.77Å; F120-L147 HydrophobicContact CE1-CD1 3.8Å; E143-L147 WeakPolarHBondContact O-CB 3.21Å; E143-L147 PolarHBondContact O-N 3.2Å; N144-L147 PolarHBondContact O-N 3.39Å; V145-L147 VanDerWaalsContact C-N 3.34Å; V145-L147 PolarHBondContact O-N 3.36Å; L147-C150 PolarHBondContact O-N 3.14Å; L147-L151 WeakPolarHBondContact O-CB 3.46Å; L147-L151 PolarHBondContact O-N 3.1Å; L147-V241 HydrophobicContact CB-CG2 4.34Å; L147-V241 HydrophobicContact CD2-CG1 4.12Å; L147-V241 HydrophobicContact CD2-CG2 4.15Å; L147-V241 HydrophobicContact CG-CG2 3.96Å; L147-M258 HydrophobicContact CD2-CB 4.42Å; L147-M258 HydrophobicContact CD2-CG 3.74Å; L147-M258 HydrophobicContact CD2-SD 4.15Å; L147-L260 HydrophobicContact CD2-CD2 4.16Å; L147-L260 HydrophobicContact CD2-CG 4.24Å
148C98.6Very high96.7Very high4 Ų424.5 Ų24.53%0.02715%0.147CC..Hα-helixtrans-60.9-47.5173.3-68.30000111.5N144 V145 A146 C150 L151 L152 A237 V238N144-C148 PolarHBondContact O-N 3.24Å; N144-C148 PolarHBondContact O-SG 3.18Å; V145-C148 WeakPolarHBondContact O-CB 3.45Å; V145-C148 PolarHBondContact O-N 3.12Å; A146-C148 VanDerWaalsContact C-N 3.34Å; A146-C148 PolarHBondContact O-N 3.25Å; C148-C150 VanDerWaalsContact C-N 3.34Å; C148-L151 PolarHBondContact O-N 3.05Å; C148-L152 VanDerWaalsContact O-CG 3.32Å; C148-L152 WeakPolarHBondContact O-CG 3.39Å; C148-L152 PolarHBondContact O-N 3.18Å; C148-A237 HydrophobicContact CB-CB 4.27Å; C148-V238 HydrophobicContact CB-CG2 4.5Å
149L98Very high96.6Very high0 Ų028.2 Ų28.20%017%0.167CC..Hα-helixtrans-66.3-37178.4-67.2177.2000111.8L129 F132 I133 A139 V145 A146 L152 G153 F211 F215L129-L149 WeakPolarHBondContact CD1-O 3.48Å; F132-L149 HydrophobicContact CD1-CD1 4.36Å; F132-L149 HydrophobicContact CE1-CD1 3.96Å; I133-L149 HydrophobicContact CD1-CB 3.75Å; I133-L149 HydrophobicContact CG1-CB 3.91Å; I133-L149 HydrophobicContact CG1-CD1 4.05Å; A139-L149 HydrophobicContact CB-CD1 3.77Å; V145-L149 HydrophobicContact CG1-CD1 4.41Å; V145-L149 WeakPolarHBondContact O-CG 3.47Å; V145-L149 PolarHBondContact O-N 3.22Å; A146-L149 PolarHBondContact O-N 3.06Å; L149-L152 HydrophobicContact CD2-CD1 4.47Å; L149-L152 PolarHBondContact O-N 3.26Å; L149-G153 PolarHBondContact O-N 3.14Å; L149-F211 HydrophobicContact CD1-CD1 4.29Å; L149-F211 HydrophobicContact CD1-CE1 3.81Å; L149-F211 HydrophobicContact CD1-CE2 4.43Å; L149-F211 HydrophobicContact CD1-CZ 3.89Å; L149-F211 HydrophobicContact CD2-CD2 4.5Å; L149-F211 HydrophobicContact CD2-CG 4.49Å; L149-F215 HydrophobicContact CD2-CE2 4.42Å; L149-F215 HydrophobicContact CD2-CZ 4.32Å
150C97.7Very high96.4Very high0 Ų037.2 Ų37.20%020%0.201CC..Hα-helixtrans-58.1-51.3171.2-77.10000111.5F120 T127 I133 A146 L147 C148 L152 G153 E154F120-C150 HydrophobicContact CE1-CB 4.33Å; F120-C150 HydrophobicContact CZ-CB 4.17Å; T127-C150 HydrophobicContact CG2-CB 4.24Å; I133-C150 WeakPolarHBondContact CD1-SG 3.42Å; A146-C150 PolarHBondContact O-N 3.31Å; A146-C150 PolarHBondContact O-SG 3Å; L147-C150 PolarHBondContact O-N 3.14Å; C148-C150 VanDerWaalsContact C-N 3.34Å; C150-L152 VanDerWaalsContact C-N 3.3Å; C150-L152 PolarHBondContact O-N 2.67Å; C150-G153 PolarHBondContact O-N 2.95Å; C150-E154 WeakPolarHBondContact O-CG 3.35Å; C150-E154 PolarHBondContact O-N 3.37Å
151L98.3Very high96.4Very high0 Ų034.1 Ų34.10%018%0.179CC..Hα-helixtrans-58.8-41.8178.9-17762.9000111.8F120 L147 C148 E154 L155 I167 L170 W236 A237 T240 L260F120-L151 HydrophobicContact CE1-CB 3.87Å; F120-L151 HydrophobicContact CE1-CD1 4.03Å; F120-L151 HydrophobicContact CZ-CB 4.25Å; F120-L151 HydrophobicContact CZ-CD1 4.27Å; L147-L151 WeakPolarHBondContact O-CB 3.46Å; L147-L151 PolarHBondContact O-N 3.1Å; C148-L151 PolarHBondContact O-N 3.05Å; L151-E154 PolarHBondContact O-N 3.34Å; L151-L155 WeakPolarHBondContact O-CB 3.37Å; L151-L155 PolarHBondContact O-N 3.29Å; L151-I167 HydrophobicContact CD1-CD1 4.39Å; L151-I167 HydrophobicContact CD1-CG1 4.13Å; L151-L170 HydrophobicContact CD1-CD1 4.28Å; L151-W236 HydrophobicContact CD1-CH2 3.96Å; L151-W236 HydrophobicContact CD1-CZ3 4.36Å; L151-W236 HydrophobicContact CD2-CE3 4.43Å; L151-W236 HydrophobicContact CD2-CH2 3.73Å; L151-W236 HydrophobicContact CD2-CZ3 3.68Å; L151-W236 HydrophobicContact CG-CH2 3.74Å; L151-W236 HydrophobicContact CG-CZ3 3.66Å; L151-A237 HydrophobicContact CD2-CB 4.24Å; L151-T240 HydrophobicContact CD2-CG2 3.65Å; L151-L260 HydrophobicContact CD1-CD1 4.42Å; L151-L260 HydrophobicContact CD2-CD1 4.33Å
152L97.9Very high96.4Very high0 Ų034.8 Ų34.80%018%0.18CC..Hα-helixtrans-64.8-44.2176.2-73.3173.6000112.7C148 L149 C150 E154 L155 Y156 F229 D233 Y234 W236 A237C148-L152 VanDerWaalsContact O-CG 3.32Å; C148-L152 WeakPolarHBondContact O-CG 3.39Å; C148-L152 PolarHBondContact O-N 3.18Å; L149-L152 HydrophobicContact CD2-CD1 4.47Å; L149-L152 PolarHBondContact O-N 3.26Å; C150-L152 VanDerWaalsContact C-N 3.3Å; C150-L152 PolarHBondContact O-N 2.67Å; L152-E154 VanDerWaalsContact C-N 3.27Å; L152-E154 PolarHBondContact O-N 2.73Å; L152-L155 HydrophobicContact CD2-CD2 4.24Å; L152-L155 WeakPolarHBondContact O-CB 3.47Å; L152-L155 PolarHBondContact O-N 3.49Å; L152-Y156 HydrophobicContact CB-CD2 4.42Å; L152-Y156 HydrophobicContact CB-CE2 3.79Å; L152-Y156 HydrophobicContact CD2-CE1 4.31Å; L152-Y156 WeakPolarHBondContact O-CB 3.34Å; L152-Y156 WeakPolarHBondContact O-CD2 3.45Å; L152-Y156 PolarHBondContact O-N 3.02Å; L152-F229 HydrophobicContact CD1-CE2 3.98Å; L152-F229 HydrophobicContact CD1-CZ 4.45Å; L152-D233 HydrophobicContact CD2-CB 3.94Å; L152-D233 WeakPolarHBondContact CD2-O 3.49Å; L152-Y234 HydrophobicContact CD1-CD2 3.78Å; L152-W236 HydrophobicContact CD2-CE3 4.45Å; L152-A237 HydrophobicContact CD1-CB 4.03Å; L152-A237 HydrophobicContact CD2-CB 3.74Å; L152-A237 HydrophobicContact CG-CB 3.61Å
153G96.7Very high96.4Very high0 Ų033.2 Ų33.20%017%0.17CC..Hα-helixtrans-62.4-36.6177.500000112.2T127 F128 L149 C150 Y156 Q157T127-G153 WeakPolarHBondContact OG1-CA 3.47Å; F128-G153 WeakPolarHBondContact CE1-O 3.49Å; L149-G153 PolarHBondContact O-N 3.14Å; C150-G153 PolarHBondContact O-N 2.95Å; G153-Y156 PolarHBondContact O-N 2.93Å; G153-Q157 VanDerWaalsContact O-CG 3.3Å; G153-Q157 WeakPolarHBondContact O-CG 3.3Å; G153-Q157 PolarHBondContact O-N 3.4Å; G153-Q157 VanDerWaalsContact O-N 3.13Å; G153-Q157 PolarHBondContact O-NE2 3.26Å
154E97Very high96.4Very high1 Ų134.1 Ų34.11%0.00517%0.17CC..Hα-helixtrans-67.4-43172-63.7-73.3-17800112.5F120 S125 S126 T127 C150 L151 L152 Y156 Q157 G158 S161 I167F120-E154 HydrophobicContact CE2-CG 3.77Å; F120-E154 HydrophobicContact CZ-CG 3.92Å; S125-E154 WeakPolarHBondContact OG-CG 3.37Å; S125-E154 PolarHBondContact OG-OE1 3.14Å; S126-E154 WeakPolarHBondContact CA-OE1 3.27Å; S126-E154 PolarHBondContact N-OE1 3.27Å; S126-E154 PolarHBondContact OG-OE1 3.46Å; S126-E154 PolarHBondContact OG-OE2 2.93Å; T127-E154 PolarHBondContact N-OE1 3.5Å; T127-E154 VanDerWaalsContact N-OE1 3.08Å; C150-E154 WeakPolarHBondContact O-CG 3.35Å; C150-E154 PolarHBondContact O-N 3.37Å; L151-E154 PolarHBondContact O-N 3.34Å; L152-E154 VanDerWaalsContact C-N 3.27Å; L152-E154 PolarHBondContact O-N 2.73Å; E154-Y156 VanDerWaalsContact C-N 3.31Å; E154-Y156 PolarHBondContact O-N 3.48Å; E154-Q157 PolarHBondContact O-N 2.83Å; E154-Q157 PolarHBondContact OE2-NE2 3.03Å; E154-G158 PolarHBondContact O-N 2.97Å; E154-S161 WeakPolarHBondContact O-CB 3.34Å; E154-S161 VanDerWaalsContact OE2-CB 3.3Å; E154-S161 WeakPolarHBondContact OE2-CB 3.25Å; E154-S161 PolarHBondContact OE2-OG 2.93Å; E154-I167 HydrophobicContact CB-CD1 3.55Å
155L96.9Very high96.2Very high11 Ų1135 Ų356%0.05818%0.175CC..Hα-helixtrans-56.4-45.7173.2176.666.3000111.3L66 L151 L152 Q157 G158 I167 W236L66-L155 HydrophobicContact CD1-CD1 3.86Å; L66-L155 HydrophobicContact CD2-CD1 4.4Å; L66-L155 HydrophobicContact CG-CD1 4.17Å; L151-L155 WeakPolarHBondContact O-CB 3.37Å; L151-L155 PolarHBondContact O-N 3.29Å; L152-L155 HydrophobicContact CD2-CD2 4.24Å; L152-L155 WeakPolarHBondContact O-CB 3.47Å; L152-L155 PolarHBondContact O-N 3.49Å; L155-Q157 VanDerWaalsContact C-N 3.3Å; L155-Q157 PolarHBondContact O-N 3.43Å; L155-G158 PolarHBondContact O-N 3.18Å; L155-G158 VanDerWaalsContact O-N 3.13Å; L155-I167 HydrophobicContact CD1-CG2 3.99Å; L155-W236 HydrophobicContact CB-CZ3 4.37Å; L155-W236 HydrophobicContact CD2-CE3 3.98Å; L155-W236 HydrophobicContact CD2-CH2 4.45Å; L155-W236 HydrophobicContact CD2-CZ3 3.76Å; L155-W236 HydrophobicContact CG-CZ3 4.5Å
156Y96.2Very high96.1Very high6 Ų635.1 Ų35.12%0.02418%0.175CC..Hα-helixtrans-69.6-26-178.3-57.9-29.5000113.3Y62 F128 L152 G153 E154 G158 F227 F229 D233Y62-Y156 AromaticContact CD1-CD1 3.94Å; Y62-Y156 HydrophobicContact CD1-CD1 3.94Å; Y62-Y156 AromaticContact CD2-CD1 3.73Å; Y62-Y156 HydrophobicContact CD2-CD1 3.73Å; Y62-Y156 AromaticContact CD2-CE1 3.95Å; Y62-Y156 HydrophobicContact CD2-CE1 3.95Å; Y62-Y156 HydrophobicContact CE1-CD1 4.26Å; Y62-Y156 HydrophobicContact CE2-CD1 4.09Å; Y62-Y156 AromaticContact CG-CD1 3.66Å; Y62-Y156 HydrophobicContact CG-CD1 3.66Å; Y62-Y156 HydrophobicContact CG-CE1 4.11Å; F128-Y156 HydrophobicContact CZ-CD2 4.23Å; L152-Y156 HydrophobicContact CB-CD2 4.42Å; L152-Y156 HydrophobicContact CB-CE2 3.79Å; L152-Y156 HydrophobicContact CD2-CE1 4.31Å; L152-Y156 WeakPolarHBondContact O-CB 3.34Å; L152-Y156 WeakPolarHBondContact O-CD2 3.45Å; L152-Y156 PolarHBondContact O-N 3.02Å; G153-Y156 PolarHBondContact O-N 2.93Å; E154-Y156 VanDerWaalsContact C-N 3.31Å; E154-Y156 PolarHBondContact O-N 3.48Å; Y156-G158 PolarHBondContact O-N 3Å; Y156-F227 HydrophobicContact CD1-CE2 4.19Å; Y156-F227 AromaticContact CD2-CE2 3.7Å; Y156-F227 HydrophobicContact CD2-CE2 3.7Å; Y156-F227 HydrophobicContact CD2-CZ 4.14Å; Y156-F227 HydrophobicContact CE1-CE2 4.15Å; Y156-F227 AromaticContact CE2-CE2 3.65Å; Y156-F227 HydrophobicContact CE2-CE2 3.65Å; Y156-F227 AromaticContact CE2-CZ 3.72Å; Y156-F227 HydrophobicContact CE2-CZ 3.72Å; Y156-F227 AromaticContact CG-CE2 3.98Å; Y156-F227 HydrophobicContact CG-CE2 3.98Å; Y156-F227 AromaticContact CZ-CE2 3.89Å; Y156-F229 WeakPolarHBondContact OH-CD2 3.17Å; Y156-D233 HydrophobicContact CE1-CB 4.33Å
157Q94.1Very high96.1Very high35 Ų3535.1 Ų35.116%0.16417%0.174CC..Hα-helixtrans-69.3-22.8172.7-75.4-178.89700112.9F128 G153 E154 L155 D159 R160F128-Q157 HydrophobicContact CD1-CG 3.63Å; F128-Q157 HydrophobicContact CE1-CG 3.76Å; G153-Q157 VanDerWaalsContact O-CG 3.3Å; G153-Q157 WeakPolarHBondContact O-CG 3.3Å; G153-Q157 PolarHBondContact O-N 3.4Å; G153-Q157 VanDerWaalsContact O-N 3.13Å; G153-Q157 PolarHBondContact O-NE2 3.26Å; E154-Q157 PolarHBondContact O-N 2.83Å; E154-Q157 PolarHBondContact OE2-NE2 3.03Å; L155-Q157 VanDerWaalsContact C-N 3.3Å; L155-Q157 PolarHBondContact O-N 3.43Å; Q157-D159 PolarHBondContact O-N 3.18Å; Q157-R160 HydrophobicContact CB-CB 4.44Å; Q157-R160 WeakPolarHBondContact O-CB 3.29Å; Q157-R160 PolarHBondContact O-N 3.14Å
158G93.1Very high95.9Very high34 Ų3440 Ų4035%0.35119%0.193SC..G310 helixtrans58.5-128.7179.100000111.7E154 L155 Y156 R160 S161E154-G158 PolarHBondContact O-N 2.97Å; L155-G158 PolarHBondContact O-N 3.18Å; L155-G158 VanDerWaalsContact O-N 3.13Å; Y156-G158 PolarHBondContact O-N 3Å; G158-R160 PolarHBondContact O-N 3.16Å; G158-S161 VanDerWaalsContact O-CB 3.31Å; G158-S161 WeakPolarHBondContact O-CB 3.48Å; G158-S161 PolarHBondContact O-N 3.45Å
159D92.4Very high95.7Very high121 Ų12140 Ų4065%0.64719%0.192SC*.G310 helixtrans-62-16.1-177.9-64.3-36.2000114.3Q157 R164Q157-D159 PolarHBondContact O-N 3.18Å; D159-R164 WeakPolarHBondContact O-CD 3.43Å; D159-R164 PolarHBondContact O-NH1 3.2Å
160R93.6Very high95.6Very high188 Ų18840.2 Ų40.271%0.70919%0.193SC*.G310 helixtrans-80.3-16.1175.4-62.4-174.7-68.5-174.81113.3Q157 G158Q157-R160 HydrophobicContact CB-CB 4.44Å; Q157-R160 WeakPolarHBondContact O-CB 3.29Å; Q157-R160 PolarHBondContact O-N 3.14Å; G158-R160 PolarHBondContact O-N 3.16Å
161S95.2Very high95.4Very high4 Ų440.9 Ų40.93%0.02820%0.197CC..  trans-68.5135.1178.5175.10000111E154 G158 W163 R164E154-S161 WeakPolarHBondContact O-CB 3.34Å; E154-S161 VanDerWaalsContact OE2-CB 3.3Å; E154-S161 WeakPolarHBondContact OE2-CB 3.25Å; E154-S161 PolarHBondContact OE2-OG 2.93Å; G158-S161 VanDerWaalsContact O-CB 3.31Å; G158-S161 WeakPolarHBondContact O-CB 3.48Å; G158-S161 PolarHBondContact O-N 3.45Å; S161-W163 PolarHBondContact O-N 3.47Å; S161-W163 PolarHBondContact OG-N 2.9Å; S161-R164 WeakPolarHBondContact O-CG 3.41Å; S161-R164 PolarHBondContact O-N 2.85Å; S161-R164 PolarHBondContact OG-N 3.49Å
162T95Very high95.2Very high102 Ų10242.2 Ų42.263%0.62621%0.207SC*.THydrogen-bonded Turntrans-68.5-14.2169.360.20000112.5S126S126-T162 PolarHBondContact OG-OG1 3.29Å
163W96.3Very high94.9Very high26 Ų2647.7 Ų47.710%0.09823%0.232CC..THydrogen-bonded Turntrans-1056.7-177.7-64.995000113V119 F120 N124 S161 D165 Y166 I167 P262V119-W163 VanDerWaalsContact C-CH2 3.42Å; V119-W163 WeakPolarHBondContact O-CH2 3.49Å; F120-W163 HydrophobicContact CB-CE3 4.12Å; F120-W163 HydrophobicContact CB-CH2 4.18Å; F120-W163 HydrophobicContact CB-CZ3 3.89Å; F120-W163 HydrophobicContact CD2-CB 4.34Å; F120-W163 AromaticContact CD2-CD2 3.41Å; F120-W163 HydrophobicContact CD2-CD2 3.41Å; F120-W163 VanDerWaalsContact CD2-CD2 3.41Å; F120-W163 AromaticContact CD2-CE2 3.65Å; F120-W163 AromaticContact CD2-CE3 3.7Å; F120-W163 HydrophobicContact CD2-CE3 3.7Å; F120-W163 AromaticContact CD2-CG 3.68Å; F120-W163 HydrophobicContact CD2-CG 3.68Å; F120-W163 HydrophobicContact CD2-CH2 4.4Å; F120-W163 HydrophobicContact CD2-CZ2 4.16Å; F120-W163 HydrophobicContact CD2-CZ3 4.18Å; F120-W163 HydrophobicContact CE2-CB 4.28Å; F120-W163 AromaticContact CE2-CD1 3.86Å; F120-W163 HydrophobicContact CE2-CD2 4.01Å; F120-W163 AromaticContact CE2-CG 3.78Å; F120-W163 HydrophobicContact CE2-CG 3.78Å; F120-W163 HydrophobicContact CG-CD2 4.47Å; F120-W163 HydrophobicContact CG-CE3 4.38Å; N124-W163 HydrophobicContact CB-CZ2 3.97Å; N124-W163 PolarHBondContact O-NE1 3.35Å; S161-W163 PolarHBondContact O-N 3.47Å; S161-W163 PolarHBondContact OG-N 2.9Å; W163-D165 PolarHBondContact O-N 3.1Å; W163-Y166 HydrophobicContact CE3-CD1 4.2Å; W163-Y166 PolarHBondContact O-N 3.5Å; W163-I167 HydrophobicContact CB-CD1 4.16Å; W163-I167 WeakPolarHBondContact O-CG1 3.46Å; W163-I167 PolarHBondContact O-N 3.33Å; W163-P262 HydrophobicContact CZ3-CG 3.99Å
164R95.3Very high94.9Very high111 Ų11148.8 Ų48.842%0.41924%0.237SC..Hα-helixtrans-54.5-38.2-176.772.3-172.3-177.2-153.2-2.3113.2D159 S161 I167 R168D159-R164 WeakPolarHBondContact O-CD 3.43Å; D159-R164 PolarHBondContact O-NH1 3.2Å; S161-R164 WeakPolarHBondContact O-CG 3.41Å; S161-R164 PolarHBondContact O-N 2.85Å; S161-R164 PolarHBondContact OG-N 3.49Å; R164-I167 PolarHBondContact O-N 3.07Å; R164-R168 WeakPolarHBondContact O-CB 3.47Å; R164-R168 WeakPolarHBondContact O-CG 3.42Å; R164-R168 PolarHBondContact O-N 3.21Å
165D94.5Very high94.7Very high84 Ų8451.3 Ų51.345%0.44926%0.255SS..Hα-helixtrans-70.2-42.3-176.2-61.5-29.5000110.5F80 W163 R168 T169F80-D165 HydrophobicContact CD2-CB 3.87Å; F80-D165 HydrophobicContact CE2-CB 4.16Å; W163-D165 PolarHBondContact O-N 3.1Å; D165-R168 PolarHBondContact O-N 2.97Å; D165-T169 WeakPolarHBondContact O-CG2 3.17Å; D165-T169 PolarHBondContact O-N 3.09Å
166Y96Very high94.8Very high3 Ų350.9 Ų50.91%0.01225%0.252CS..Hα-helixtrans-62.9-49170.8170.5-126.2000111.6F80 F120 W163 R168 T169 L170 L260 P262 D265F80-Y166 HydrophobicContact CE1-CD2 4.24Å; F80-Y166 HydrophobicContact CZ-CD2 4.2Å; F80-Y166 HydrophobicContact CZ-CG 4.4Å; F120-Y166 HydrophobicContact CB-CE1 4.15Å; F120-Y166 HydrophobicContact CG-CE1 4.42Å; W163-Y166 HydrophobicContact CE3-CD1 4.2Å; W163-Y166 PolarHBondContact O-N 3.5Å; Y166-R168 PolarHBondContact O-N 2.88Å; Y166-T169 WeakPolarHBondContact O-CB 3.29Å; Y166-T169 PolarHBondContact O-N 3.33Å; Y166-T169 PolarHBondContact O-OG1 3.02Å; Y166-L170 HydrophobicContact CE1-CD1 4.34Å; Y166-L170 HydrophobicContact CE2-CD2 3.85Å; Y166-L170 HydrophobicContact CE2-CG 4.28Å; Y166-L170 PolarHBondContact O-N 3.31Å; Y166-L260 HydrophobicContact CE1-CB 4.22Å; Y166-L260 HydrophobicContact CE1-CD1 4.06Å; Y166-L260 WeakPolarHBondContact OH-CB 3.26Å; Y166-L260 WeakPolarHBondContact OH-CD1 3.48Å; Y166-P262 HydrophobicContact CD1-CG 3.98Å; Y166-P262 HydrophobicContact CD2-CB 3.51Å; Y166-P262 HydrophobicContact CD2-CG 3.75Å; Y166-P262 HydrophobicContact CE1-CG 4.18Å; Y166-P262 HydrophobicContact CE2-CB 3.83Å; Y166-P262 HydrophobicContact CE2-CG 3.95Å; Y166-P262 HydrophobicContact CG-CB 3.96Å; Y166-P262 HydrophobicContact CG-CG 3.76Å; Y166-D265 PolarHBondContact OH-OD2 3.44Å
167I96.5Very high94.9Very high7 Ų750.7 Ų50.74%0.03625%0.252CS..Hα-helixtrans-58.5-37.5-179.2-69.6169000111.5L66 L151 E154 L155 W163 R164 T169 L170 W236L66-I167 HydrophobicContact CD1-CG2 4.09Å; L66-I167 HydrophobicContact CD2-CG2 4.19Å; L151-I167 HydrophobicContact CD1-CD1 4.39Å; L151-I167 HydrophobicContact CD1-CG1 4.13Å; E154-I167 HydrophobicContact CB-CD1 3.55Å; L155-I167 HydrophobicContact CD1-CG2 3.99Å; W163-I167 HydrophobicContact CB-CD1 4.16Å; W163-I167 WeakPolarHBondContact O-CG1 3.46Å; W163-I167 PolarHBondContact O-N 3.33Å; R164-I167 PolarHBondContact O-N 3.07Å; I167-T169 PolarHBondContact O-N 2.69Å; I167-L170 WeakPolarHBondContact O-CB 3.47Å; I167-L170 PolarHBondContact O-N 3.03Å; I167-W236 HydrophobicContact CG2-CH2 4.32Å
168R94.5Very high95Very high104 Ų10449.1 Ų49.139%0.39225%0.245SC..Hα-helixtrans-65.2-21.8176.7-78.9176.468.2147.90.6113.8K68 D76 R164 D165 Y166K68-R168 PolarHBondContact NZ-O 2.78Å; D76-R168 IonicContact OD1-NH2 2.64Å; D76-R168 PolarHBondContact OD1-NH2 3.08Å; D76-R168 IonicContact OD2-CZ 3.55Å; D76-R168 IonicContact OD2-NE 3.62Å; D76-R168 PolarHBondContact OD2-NE 3.43Å; D76-R168 VanDerWaalsContact OD2-NE 3.14Å; D76-R168 IonicContact OD2-NH2 3.22Å; D76-R168 PolarHBondContact OD2-NH2 3.19Å; R164-R168 WeakPolarHBondContact O-CB 3.47Å; R164-R168 WeakPolarHBondContact O-CG 3.42Å; R164-R168 PolarHBondContact O-N 3.21Å; D165-R168 PolarHBondContact O-N 2.97Å; Y166-R168 PolarHBondContact O-N 2.88Å
169T94.6Very high95.2Very high2 Ų249.6 Ų49.61%0.01224%0.236CC..Hα-helixtrans-85.8-22.8179.273.40000113R73 L77 F80 D165 Y166 I167R73-T169 PolarHBondContact NE-O 3.29Å; R73-T169 PolarHBondContact NH2-O 2.92Å; L77-T169 HydrophobicContact CD2-CG2 4.16Å; L77-T169 HydrophobicContact CG-CG2 4.48Å; F80-T169 HydrophobicContact CB-CG2 3.54Å; F80-T169 HydrophobicContact CD1-CG2 3.71Å; F80-T169 HydrophobicContact CD2-CG2 4.31Å; F80-T169 HydrophobicContact CG-CG2 3.59Å; D165-T169 WeakPolarHBondContact O-CG2 3.17Å; D165-T169 PolarHBondContact O-N 3.09Å; Y166-T169 WeakPolarHBondContact O-CB 3.29Å; Y166-T169 PolarHBondContact O-N 3.33Å; Y166-T169 PolarHBondContact O-OG1 3.02Å; I167-T169 PolarHBondContact O-N 2.69Å
170L95.7Very high95.5Very high5 Ų544 Ų443%0.02621%0.206CC..SBendtrans-61.7150-180-68.6174.3000111.6L151 Y166 I167 W236 T240L151-L170 HydrophobicContact CD1-CD1 4.28Å; Y166-L170 HydrophobicContact CE1-CD1 4.34Å; Y166-L170 HydrophobicContact CE2-CD2 3.85Å; Y166-L170 HydrophobicContact CE2-CG 4.28Å; Y166-L170 PolarHBondContact O-N 3.31Å; I167-L170 WeakPolarHBondContact O-CB 3.47Å; I167-L170 PolarHBondContact O-N 3.03Å; L170-W236 HydrophobicContact CB-CZ2 4.21Å; L170-W236 HydrophobicContact CD1-CH2 4.06Å; L170-W236 HydrophobicContact CD1-CZ2 3.73Å; L170-T240 HydrophobicContact CD1-CG2 3.87Å; L170-T240 HydrophobicContact CD2-CG2 4.07Å
171P94.5Very high95.6Very high14 Ų1438.8 Ų38.89%0.09119%0.192CC..  trans-56.4142167.9-19.329.1000111.4R73 E173 Y174 W236R73-P171 VanDerWaalsContact NH2-CD 3.3Å; P171-E173 VanDerWaalsContact C-N 3.33Å; P171-E173 WeakPolarHBondContact CB-O 3.39Å; P171-Y174 HydrophobicContact CB-CE1 4.21Å; P171-Y174 HydrophobicContact CB-CE2 4.26Å; P171-Y174 WeakPolarHBondContact CD-OH 3.47Å; P171-Y174 HydrophobicContact CG-CE1 3.93Å; P171-W236 PolarHBondContact O-NE1 2.94Å
172S93.2Very high95.7Very high28 Ų2839.6 Ų39.620%0.19620%0.197CC..SBendtrans-79.1-21.2168.655.10000112.3
173E92.2Very high95.8Very high115 Ų11537.2 Ų37.254%0.53719%0.188SC..SBendtrans-140.7159.2-179-63.8-179.3-159.700110.2P171 Y179P171-E173 VanDerWaalsContact C-N 3.33Å; P171-E173 WeakPolarHBondContact CB-O 3.39Å; E173-Y179 HydrophobicContact CB-CE1 4.28Å; E173-Y179 HydrophobicContact CG-CE1 4.39Å
174Y95.3Very high95.8Very high23 Ų2336.6 Ų36.69%0.0919%0.186CC..  trans-135163.5-176.5-67.2-95.4000110.8P171 Y179 W236 T240 S243P171-Y174 HydrophobicContact CB-CE1 4.21Å; P171-Y174 HydrophobicContact CB-CE2 4.26Å; P171-Y174 WeakPolarHBondContact CD-OH 3.47Å; P171-Y174 HydrophobicContact CG-CE1 3.93Å; Y174-Y179 HydrophobicContact CD2-CE2 4.14Å; Y174-Y179 HydrophobicContact CG-CE2 4.43Å; Y174-Y179 WeakPolarHBondContact O-CB 3.49Å; Y174-Y179 WeakPolarHBondContact O-CD2 3.18Å; Y174-W236 AromaticContact CE2-CD1 3.71Å; Y174-W236 AromaticContact CE2-NE1 3.85Å; Y174-T240 WeakPolarHBondContact CE2-OG1 3.44Å; Y174-T240 WeakPolarHBondContact OH-CA 3.36Å; Y174-T240 WeakPolarHBondContact OH-CB 3.35Å; Y174-T240 PolarHBondContact OH-OG1 3.44Å; Y174-S243 VanDerWaalsContact CE1-OG 3.32Å; Y174-S243 WeakPolarHBondContact CE1-OG 3.05Å
175S94.6Very high95.9Very high55 Ų5531.3 Ų31.339%0.38517%0.166SC..  trans-101.619.8172.1-550000112.8G316S175-G316 WeakPolarHBondContact CB-O 3.41Å; S175-G316 WeakPolarHBondContact O-CA 3.09Å
176T97.6Very high96Very high1 Ų130.1 Ų30.11%0.00616%0.164CC..SBendtrans-67.8167.117761.90000110.9L178 Y179 S239 M242 M313T176-L178 PolarHBondContact O-N 3.43Å; T176-Y179 PolarHBondContact O-N 3.46Å; T176-S239 PolarHBondContact OG1-OG 2.84Å; T176-M242 HydrophobicContact CG2-CG 4.07Å; T176-M242 HydrophobicContact CG2-SD 3.7Å; T176-M313 WeakPolarHBondContact CA-O 3.4Å; T176-M313 WeakPolarHBondContact CB-O 3.32Å
177F98Very high96Very high3 Ų332.7 Ų32.71%0.01318%0.175CC..THydrogen-bonded Turntrans-55.3-19.9179.777.6-90.9000114.3Y179 M180 I197 N200 I204 M242 M313 F314F177-Y179 VanDerWaalsContact C-N 3.31Å; F177-M180 HydrophobicContact CB-SD 4.35Å; F177-I197 HydrophobicContact CB-CG1 4.18Å; F177-I197 HydrophobicContact CB-CG2 4.23Å; F177-I197 HydrophobicContact CD2-CG2 4.25Å; F177-N200 HydrophobicContact CD2-CB 4.42Å; F177-N200 HydrophobicContact CE1-CB 4.19Å; F177-N200 HydrophobicContact CE2-CB 3.58Å; F177-N200 HydrophobicContact CZ-CB 3.45Å; F177-N200 VanDerWaalsContact CZ-CB 3.45Å; F177-I204 HydrophobicContact CE2-CD1 4.16Å; F177-I204 HydrophobicContact CZ-CD1 3.59Å; F177-M242 HydrophobicContact CD1-SD 4.18Å; F177-M242 HydrophobicContact CE1-CE 3.72Å; F177-M242 HydrophobicContact CE1-SD 3.76Å; F177-M242 HydrophobicContact CZ-CE 4.16Å; F177-M313 HydrophobicContact CB-CB 4.38Å; F177-M313 HydrophobicContact CB-CE 4.39Å; F177-M313 HydrophobicContact CB-CG 4.37Å; F177-M313 HydrophobicContact CD1-CB 4.08Å; F177-M313 HydrophobicContact CD1-CE 3.91Å; F177-M313 WeakPolarHBondContact CD1-O 3.46Å; F177-M313 HydrophobicContact CE1-CE 4.37Å; F177-M313 HydrophobicContact CG-CE 4.01Å; F177-M313 PolarHBondContact N-O 3.15Å; F177-F314 HydrophobicContact CD1-CD1 4.32Å; F177-F314 HydrophobicContact CD1-CE1 4.37Å; F177-F314 HydrophobicContact CE1-CD1 4.04Å; F177-F314 AromaticContact CE1-CE1 3.95Å; F177-F314 HydrophobicContact CE1-CE1 3.95Å
178L97.9Very high96Very high2 Ų232.4 Ų32.41%0.0117%0.173CC..THydrogen-bonded Turntrans-73.7-19.9178.3-75.3173.9000114.5T176 Y201 I204 R235 V238 S239 M242T176-L178 PolarHBondContact O-N 3.43Å; L178-Y201 HydrophobicContact CD2-CD2 3.79Å; L178-Y201 HydrophobicContact CD2-CE2 4.11Å; L178-I204 HydrophobicContact CD1-CD1 3.91Å; L178-I204 HydrophobicContact CD2-CB 4.37Å; L178-I204 HydrophobicContact CD2-CD1 3.65Å; L178-I204 HydrophobicContact CD2-CG2 4.13Å; L178-I204 HydrophobicContact CG-CD1 4.1Å; L178-R235 HydrophobicContact CB-CG 4.07Å; L178-R235 HydrophobicContact CD1-CG 4.3Å; L178-V238 HydrophobicContact CD1-CB 4.17Å; L178-V238 HydrophobicContact CD1-CG1 3.86Å; L178-S239 WeakPolarHBondContact CD1-OG 3.26Å; L178-M242 HydrophobicContact CD1-CE 3.47Å; L178-M242 VanDerWaalsContact CD1-CE 3.47Å; L178-M242 HydrophobicContact CG-CE 4.16Å
179Y97.4Very high96Very high44 Ų4434.4 Ų34.417%0.17319%0.185CC..THydrogen-bonded Turntrans-100.3-7.9179.9-74-96.1000113E173 Y174 T176 F177 R235 S239E173-Y179 HydrophobicContact CB-CE1 4.28Å; E173-Y179 HydrophobicContact CG-CE1 4.39Å; Y174-Y179 HydrophobicContact CD2-CE2 4.14Å; Y174-Y179 HydrophobicContact CG-CE2 4.43Å; Y174-Y179 WeakPolarHBondContact O-CB 3.49Å; Y174-Y179 WeakPolarHBondContact O-CD2 3.18Å; T176-Y179 PolarHBondContact O-N 3.46Å; F177-Y179 VanDerWaalsContact C-N 3.31Å; Y179-R235 HydrophobicContact CE2-CG 4.1Å; Y179-S239 VanDerWaalsContact CE2-OG 3.31Å; Y179-S239 WeakPolarHBondContact CE2-OG 3.24Å
180M97.4Very high95.9Very high3 Ų335.7 Ų35.72%0.01520%0.199CC..  trans-67.3137.5172.2-60.6-17969.400110.8Q47 F177 D184 V185 L188 I197 F312 T449 C453Q47-M180 PolarHBondContact NE2-O 3.25Å; F177-M180 HydrophobicContact CB-SD 4.35Å; M180-D184 HydrophobicContact CB-CB 4.11Å; M180-D184 HydrophobicContact CE-CB 3.84Å; M180-V185 HydrophobicContact CB-CG2 4.13Å; M180-V185 HydrophobicContact CE-CG2 3.77Å; M180-V185 HydrophobicContact SD-CG2 4.37Å; M180-L188 HydrophobicContact CE-CD1 3.88Å; M180-I197 HydrophobicContact SD-CD1 4.22Å; M180-F312 HydrophobicContact CE-CE1 4.13Å; M180-F312 HydrophobicContact CE-CZ 3.64Å; M180-F312 HydrophobicContact SD-CE1 3.84Å; M180-F312 HydrophobicContact SD-CZ 3.64Å; M180-T449 HydrophobicContact CE-CG2 4.18Å; M180-T449 HydrophobicContact CG-CG2 3.75Å; M180-C453 VanDerWaalsContact CE-SG 3.55Å
181D96.3Very high96Very high78 Ų7835.8 Ų35.842%0.41720%0.2SC..  trans-90.5176.2168.373.819.7000112A183 D184 V185D181-A183 PolarHBondContact O-N 3Å; D181-A183 VanDerWaalsContact OD1-CA 3.25Å; D181-A183 WeakPolarHBondContact OD1-CA 3.49Å; D181-A183 WeakPolarHBondContact OD1-CB 3.32Å; D181-A183 PolarHBondContact OD1-N 3.25Å; D181-D184 PolarHBondContact N-OD2 2.75Å; D181-D184 VanDerWaalsContact N-OD2 3.08Å; D181-D184 PolarHBondContact O-N 3.28Å; D181-D184 PolarHBondContact OD1-N 2.77Å; D181-V185 WeakPolarHBondContact O-CG2 3.29Å; D181-V185 PolarHBondContact O-N 3.45Å; D181-V185 VanDerWaalsContact O-N 3.09Å
182V97.7Very high96Very high22 Ų2237.9 Ų37.913%0.13321%0.214CC..Hα-helixtrans-60.5-31.9176167.20000111.9I40 L43 R44 Q47 C186I40-V182 HydrophobicContact CG2-CG1 3.97Å; L43-V182 HydrophobicContact CD2-CG2 4.38Å; L43-V182 HydrophobicContact CG-CG2 4.26Å; R44-V182 HydrophobicContact CB-CG2 3.78Å; R44-V182 HydrophobicContact CG-CG2 4.25Å; Q47-V182 VanDerWaalsContact OE1-CG2 3.26Å; Q47-V182 VanDerWaalsContact OE1-N 3.14Å; V182-C186 PolarHBondContact O-N 3.24Å; V182-C186 PolarHBondContact O-SG 2.89Å
183A96.7Very high96.1Very high52 Ų5236.9 Ų36.943%0.4321%0.206SC..Hα-helixtrans-68.3-44.1178.800000110.5D181 V185 C186 F187D181-A183 PolarHBondContact O-N 3Å; D181-A183 VanDerWaalsContact OD1-CA 3.25Å; D181-A183 WeakPolarHBondContact OD1-CA 3.49Å; D181-A183 WeakPolarHBondContact OD1-CB 3.32Å; D181-A183 PolarHBondContact OD1-N 3.25Å; A183-V185 PolarHBondContact O-N 3.34Å; A183-C186 WeakPolarHBondContact O-CB 3.5Å; A183-C186 PolarHBondContact O-N 2.98Å; A183-C186 VanDerWaalsContact O-N 3.15Å; A183-F187 WeakPolarHBondContact O-CD2 3.41Å
184D97.1Very high96.4Very high13 Ų1332.1 Ų32.17%0.0718%0.184CC..Hα-helixtrans-58.8-48174.2-61-34.2000111.3M180 D181 C186 F187 T449 Q450M180-D184 HydrophobicContact CB-CB 4.11Å; M180-D184 HydrophobicContact CE-CB 3.84Å; D181-D184 PolarHBondContact N-OD2 2.75Å; D181-D184 VanDerWaalsContact N-OD2 3.08Å; D181-D184 PolarHBondContact O-N 3.28Å; D181-D184 PolarHBondContact OD1-N 2.77Å; D184-C186 PolarHBondContact O-N 2.88Å; D184-F187 WeakPolarHBondContact O-CB 3.39Å; D184-F187 PolarHBondContact O-N 3.02Å; D184-T449 HydrophobicContact CB-CG2 3.99Å; D184-Q450 VanDerWaalsContact OD1-CG 3.24Å; D184-Q450 WeakPolarHBondContact OD1-CG 3.34Å; D184-Q450 PolarHBondContact OD1-NE2 2.69Å
185V97.3Very high96.5Very high0 Ų034.8 Ų34.80%020%0.197CC..Hα-helixtrans-65.3-26179.1178.50000112I40 L43 M180 D181 A183 F187 L188 I194 I197I40-V185 HydrophobicContact CG1-CG1 4.39Å; L43-V185 HydrophobicContact CD2-CB 3.99Å; L43-V185 HydrophobicContact CD2-CG1 4.07Å; L43-V185 HydrophobicContact CD2-CG2 3.66Å; M180-V185 HydrophobicContact CB-CG2 4.13Å; M180-V185 HydrophobicContact CE-CG2 3.77Å; M180-V185 HydrophobicContact SD-CG2 4.37Å; D181-V185 WeakPolarHBondContact O-CG2 3.29Å; D181-V185 PolarHBondContact O-N 3.45Å; D181-V185 VanDerWaalsContact O-N 3.09Å; A183-V185 PolarHBondContact O-N 3.34Å; V185-F187 PolarHBondContact O-N 2.93Å; V185-L188 WeakPolarHBondContact O-CB 3.35Å; V185-L188 PolarHBondContact O-N 2.91Å; V185-L188 VanDerWaalsContact O-N 3.13Å; V185-I194 HydrophobicContact CG1-CG1 4.2Å; V185-I194 HydrophobicContact CG1-CG2 4.1Å; V185-I197 HydrophobicContact CG2-CG2 4.27Å
186C95.8Very high96.6Very high58 Ų5835.1 Ų35.139%0.39219%0.192SC..Hα-helixtrans-64.4-27.1172.9-70.70000112.8V182 A183 D184 L188 K189V182-C186 PolarHBondContact O-N 3.24Å; V182-C186 PolarHBondContact O-SG 2.89Å; A183-C186 WeakPolarHBondContact O-CB 3.5Å; A183-C186 PolarHBondContact O-N 2.98Å; A183-C186 VanDerWaalsContact O-N 3.15Å; D184-C186 PolarHBondContact O-N 2.88Å; C186-L188 PolarHBondContact O-N 3.45Å; C186-K189 WeakPolarHBondContact O-CB 3.19Å; C186-K189 PolarHBondContact O-N 2.89Å
187F95.7Very high96.6Very high58 Ų5835.1 Ų35.125%0.25419%0.192SC..Hα-helixtrans-64.6-24.8174.4-80.5-103.3000112.2A183 D184 V185 K189 L446 Q450 C453 E454 K457A183-F187 WeakPolarHBondContact O-CD2 3.41Å; D184-F187 WeakPolarHBondContact O-CB 3.39Å; D184-F187 PolarHBondContact O-N 3.02Å; V185-F187 PolarHBondContact O-N 2.93Å; F187-K189 PolarHBondContact O-N 3.37Å; F187-L446 HydrophobicContact CE1-CD1 4.12Å; F187-L446 HydrophobicContact CE1-CD2 3.56Å; F187-L446 HydrophobicContact CZ-CD2 3.64Å; F187-Q450 HydrophobicContact CD1-CB 4.38Å; F187-Q450 HydrophobicContact CD2-CB 4.38Å; F187-Q450 HydrophobicContact CD2-CG 3.8Å; F187-Q450 HydrophobicContact CE1-CB 4.36Å; F187-Q450 HydrophobicContact CE2-CB 4.36Å; F187-Q450 HydrophobicContact CE2-CG 3.74Å; F187-Q450 HydrophobicContact CG-CB 4.41Å; F187-Q450 HydrophobicContact CG-CG 4.28Å; F187-Q450 HydrophobicContact CZ-CB 4.35Å; F187-Q450 HydrophobicContact CZ-CG 4.16Å; F187-C453 HydrophobicContact CB-CB 3.69Å; F187-E454 HydrophobicContact CD1-CG 4.21Å; F187-E454 WeakPolarHBondContact CD1-OE1 3.43Å; F187-K457 WeakPolarHBondContact O-CD 3.39Å; F187-K457 WeakPolarHBondContact O-CE 3.33Å; F187-K457 PolarHBondContact O-NZ 3.11Å
188L96.4Very high96.6Very high0 Ų035 Ų350%019%0.191CC..THydrogen-bonded Turntrans-83.89.1179.3-64.8169.6000113.6M180 V185 C186 G190 S191 I193 I194 I197 F312 C453 L456M180-L188 HydrophobicContact CE-CD1 3.88Å; V185-L188 WeakPolarHBondContact O-CB 3.35Å; V185-L188 PolarHBondContact O-N 2.91Å; V185-L188 VanDerWaalsContact O-N 3.13Å; C186-L188 PolarHBondContact O-N 3.45Å; L188-G190 PolarHBondContact O-N 3.5Å; L188-S191 WeakPolarHBondContact O-CB 3.43Å; L188-S191 PolarHBondContact O-N 3.21Å; L188-I193 HydrophobicContact CB-CG2 4.43Å; L188-I193 HydrophobicContact CD1-CG2 3.88Å; L188-I193 HydrophobicContact CD2-CG2 4.28Å; L188-I193 HydrophobicContact CG-CG2 4.44Å; L188-I194 HydrophobicContact CB-CD1 4.14Å; L188-I194 HydrophobicContact CB-CG1 3.85Å; L188-I194 VanDerWaalsContact O-CD1 3.28Å; L188-I194 WeakPolarHBondContact O-CD1 3.48Å; L188-I197 HydrophobicContact CD1-CD1 3.56Å; L188-F312 HydrophobicContact CD1-CE1 3.79Å; L188-F312 HydrophobicContact CD1-CZ 4.12Å; L188-C453 HydrophobicContact CD2-CB 3.69Å; L188-C453 HydrophobicContact CG-CB 3.9Å; L188-L456 HydrophobicContact CD2-CD2 3.93Å
189K94.5Very high96.6Very high146 Ų14636.6 Ų36.664%0.63520%0.203SC*.THydrogen-bonded Turntrans-50129.6-179.5-175.8178.8178.2-177.70110.8C186 F187 S191 Y432C186-K189 WeakPolarHBondContact O-CB 3.19Å; C186-K189 PolarHBondContact O-N 2.89Å; F187-K189 PolarHBondContact O-N 3.37Å; K189-S191 VanDerWaalsContact C-N 3.33Å; K189-Y432 WeakPolarHBondContact O-CA 3.4Å
190G93.6Very high96.6Very high30 Ų3036.7 Ų36.731%0.30921%0.206SC..THydrogen-bonded Turntrans93.6-23.5-17600000114.3L188 A431L188-G190 PolarHBondContact O-N 3.5Å; G190-A431 WeakPolarHBondContact CA-O 3.38Å
191S96.6Very high96.7Very high6 Ų636.9 Ų36.94%0.04221%0.207CC..  trans-74.1134.6175.7-178.40000111.4L188 K189 I193 E460L188-S191 WeakPolarHBondContact O-CB 3.43Å; L188-S191 PolarHBondContact O-N 3.21Å; K189-S191 VanDerWaalsContact C-N 3.33Å; S191-I193 PolarHBondContact O-N 3.43Å; S191-I193 WeakPolarHBondContact OG-CG2 3.43Å; S191-I193 PolarHBondContact OG-N 2.77Å; S191-E460 WeakPolarHBondContact CB-OE2 3.25Å; S191-E460 VanDerWaalsContact OG-CD 3.25Å; S191-E460 PolarHBondContact OG-OE1 3.13Å; S191-E460 PolarHBondContact OG-OE2 2.54Å
192P94.7Very high96.8Very high59 Ų5933.7 Ų33.738%0.38319%0.19SC..THydrogen-bonded Turntrans-66.7-13.7174.929-34.7000112.9I194 E195 L327 Y432P192-I194 PolarHBondContact O-N 2.83Å; P192-E195 PolarHBondContact O-N 3.22Å; P192-L327 HydrophobicContact CG-CD1 3.61Å; P192-Y432 WeakPolarHBondContact CD-OH 3.46Å
193I96.4Very high96.8Very high6 Ų637.1 Ų37.13%0.03120%0.203CC..Hα-helixtrans-64.5-24.1-178.8-155.9177.2000113.1L188 S191 E195 K196 I197 D309 F312 M313 L456L188-I193 HydrophobicContact CB-CG2 4.43Å; L188-I193 HydrophobicContact CD1-CG2 3.88Å; L188-I193 HydrophobicContact CD2-CG2 4.28Å; L188-I193 HydrophobicContact CG-CG2 4.44Å; S191-I193 PolarHBondContact O-N 3.43Å; S191-I193 WeakPolarHBondContact OG-CG2 3.43Å; S191-I193 PolarHBondContact OG-N 2.77Å; I193-E195 VanDerWaalsContact C-N 3.27Å; I193-E195 PolarHBondContact O-N 3.49Å; I193-K196 CarbonylContact O-C 3.54Å; I193-K196 WeakPolarHBondContact O-CA 3.19Å; I193-K196 WeakPolarHBondContact O-CB 3.47Å; I193-K196 PolarHBondContact O-N 2.97Å; I193-I197 HydrophobicContact CG1-CD1 4.39Å; I193-I197 HydrophobicContact CG1-CG1 4.37Å; I193-I197 HydrophobicContact CG2-CD1 4.1Å; I193-I197 WeakPolarHBondContact O-CG1 3.3Å; I193-I197 PolarHBondContact O-N 3.31Å; I193-D309 HydrophobicContact CD1-CB 3.53Å; I193-D309 HydrophobicContact CG1-CB 4.21Å; I193-F312 HydrophobicContact CD1-CD1 3.77Å; I193-F312 HydrophobicContact CD1-CE1 4.42Å; I193-M313 HydrophobicContact CD1-CG 3.75Å; I193-M313 HydrophobicContact CD1-SD 3.94Å; I193-M313 HydrophobicContact CG1-CG 4.17Å; I193-M313 HydrophobicContact CG1-SD 3.71Å; I193-L456 HydrophobicContact CD1-CD2 3.56Å; I193-L456 HydrophobicContact CG2-CD2 4.09Å
194I97.6Very high96.9Very high16 Ų1635.2 Ų35.28%0.08219%0.185CC..Hα-helixtrans-54.9-46.4-179.5-66.2176000110.1A39 I40 V185 L188 P192 K196 I197 V198A39-I194 HydrophobicContact CB-CG2 3.7Å; I40-I194 HydrophobicContact CD1-CD1 4.34Å; I40-I194 HydrophobicContact CG1-CG2 4.06Å; V185-I194 HydrophobicContact CG1-CG1 4.2Å; V185-I194 HydrophobicContact CG1-CG2 4.1Å; L188-I194 HydrophobicContact CB-CD1 4.14Å; L188-I194 HydrophobicContact CB-CG1 3.85Å; L188-I194 VanDerWaalsContact O-CD1 3.28Å; L188-I194 WeakPolarHBondContact O-CD1 3.48Å; P192-I194 PolarHBondContact O-N 2.83Å; I194-K196 VanDerWaalsContact C-N 3.28Å; I194-K196 PolarHBondContact O-N 3.42Å; I194-I197 PolarHBondContact O-N 3.21Å; I194-V198 HydrophobicContact CG2-CG2 4.33Å; I194-V198 VanDerWaalsContact O-CG2 3.31Å; I194-V198 WeakPolarHBondContact O-CG2 3.36Å; I194-V198 PolarHBondContact O-N 2.94Å
195E96.4Very high97Very high78 Ų7834.6 Ų34.636%0.36418%0.182SC..Hα-helixtrans-61.3-38.6178.9-66.7-174.9-132.400111.7I34 S36 P192 I193 S199I34-E195 HydrophobicContact CG2-CB 4.29Å; I34-E195 HydrophobicContact CG2-CG 4.31Å; S36-E195 WeakPolarHBondContact CA-OE1 3.33Å; S36-E195 VanDerWaalsContact CB-OE1 3.31Å; S36-E195 WeakPolarHBondContact CB-OE1 3.29Å; S36-E195 PolarHBondContact N-OE1 3.32Å; P192-E195 PolarHBondContact O-N 3.22Å; I193-E195 VanDerWaalsContact C-N 3.27Å; I193-E195 PolarHBondContact O-N 3.49Å; E195-S199 WeakPolarHBondContact O-CB 3.31Å; E195-S199 PolarHBondContact O-N 3Å
196K96.7Very high97Very high63 Ų6339.2 Ų39.227%0.27420%0.199SC..Hα-helixtrans-65.8-44.5177.1-168.4179.2164.4-179.10111.1I193 I194 N200 D309 D310 M313I193-K196 CarbonylContact O-C 3.54Å; I193-K196 WeakPolarHBondContact O-CA 3.19Å; I193-K196 WeakPolarHBondContact O-CB 3.47Å; I193-K196 PolarHBondContact O-N 2.97Å; I194-K196 VanDerWaalsContact C-N 3.28Å; I194-K196 PolarHBondContact O-N 3.42Å; K196-N200 WeakPolarHBondContact O-CB 3.5Å; K196-N200 PolarHBondContact O-N 3.44Å; K196-N200 PolarHBondContact O-ND2 2.93Å; K196-D309 IonicContact NZ-OD2 3.72Å; K196-D309 PolarHBondContact NZ-OD2 3.16Å; K196-D310 IonicContact NZ-OD1 3.71Å; K196-D310 PolarHBondContact NZ-OD1 3.46Å; K196-M313 HydrophobicContact CB-CE 4.39Å; K196-M313 HydrophobicContact CB-SD 4.04Å; K196-M313 HydrophobicContact CD-CE 4.38Å; K196-M313 HydrophobicContact CD-SD 3.54Å; K196-M313 VanDerWaalsContact CD-SD 3.54Å; K196-M313 HydrophobicContact CG-CE 3.86Å; K196-M313 HydrophobicContact CG-SD 3.61Å
197I98.2Very high97.1Very high1 Ų137.7 Ų37.71%0.00519%0.187CC..Hα-helixtrans-58.7-52.9176.1-70169.3000110.5F177 M180 V185 L188 I193 I194 S199 N200 Y201 F312 M313F177-I197 HydrophobicContact CB-CG1 4.18Å; F177-I197 HydrophobicContact CB-CG2 4.23Å; F177-I197 HydrophobicContact CD2-CG2 4.25Å; M180-I197 HydrophobicContact SD-CD1 4.22Å; V185-I197 HydrophobicContact CG2-CG2 4.27Å; L188-I197 HydrophobicContact CD1-CD1 3.56Å; I193-I197 HydrophobicContact CG1-CD1 4.39Å; I193-I197 HydrophobicContact CG1-CG1 4.37Å; I193-I197 HydrophobicContact CG2-CD1 4.1Å; I193-I197 WeakPolarHBondContact O-CG1 3.3Å; I193-I197 PolarHBondContact O-N 3.31Å; I194-I197 PolarHBondContact O-N 3.21Å; I197-S199 VanDerWaalsContact C-N 3.34Å; I197-S199 PolarHBondContact O-N 2.81Å; I197-N200 PolarHBondContact O-N 3.36Å; I197-Y201 WeakPolarHBondContact O-CB 3.26Å; I197-Y201 PolarHBondContact O-N 3.33Å; I197-F312 HydrophobicContact CD1-CE1 4.13Å; I197-M313 HydrophobicContact CB-CE 4.49Å; I197-M313 HydrophobicContact CG1-CE 3.94Å; I197-M313 HydrophobicContact CG1-CG 4.1Å; I197-M313 HydrophobicContact CG1-SD 4Å
198V98.3Very high97.3Very high0 Ų035 Ų350%018%0.175CC..Hα-helixtrans-66.5-38.3-176.1-178.90000111.5I34 A39 I42 L43 I194 Y201 L202I34-V198 HydrophobicContact CD1-CB 4.34Å; I34-V198 HydrophobicContact CD1-CG1 3.88Å; I34-V198 HydrophobicContact CG1-CG1 4.16Å; I34-V198 HydrophobicContact CG2-CB 4.49Å; I34-V198 HydrophobicContact CG2-CG1 4.48Å; A39-V198 HydrophobicContact CB-CB 4.34Å; A39-V198 HydrophobicContact CB-CG2 3.99Å; A39-V198 WeakPolarHBondContact O-CG1 3.2Å; A39-V198 WeakPolarHBondContact O-CG2 3.49Å; I42-V198 HydrophobicContact CB-CG1 4.15Å; I42-V198 HydrophobicContact CG2-CG1 3.82Å; L43-V198 HydrophobicContact CB-CG1 4.26Å; L43-V198 HydrophobicContact CB-CG2 3.79Å; L43-V198 HydrophobicContact CD1-CG2 4.47Å; L43-V198 HydrophobicContact CD2-CG2 4.23Å; L43-V198 HydrophobicContact CG-CG2 4.38Å; I194-V198 HydrophobicContact CG2-CG2 4.33Å; I194-V198 VanDerWaalsContact O-CG2 3.31Å; I194-V198 WeakPolarHBondContact O-CG2 3.36Å; I194-V198 PolarHBondContact O-N 2.94Å; V198-Y201 PolarHBondContact O-N 3.31Å; V198-L202 VanDerWaalsContact O-CB 3.3Å; V198-L202 WeakPolarHBondContact O-CB 3.35Å; V198-L202 PolarHBondContact O-N 3.22Å
199S97.8Very high97.3Very high35 Ų3535.1 Ų35.125%0.24518%0.176CC..Hα-helixtrans-62.5-47.5176.3-173.20000111.6E195 I197 L202 F203E195-S199 WeakPolarHBondContact O-CB 3.31Å; E195-S199 PolarHBondContact O-N 3Å; I197-S199 VanDerWaalsContact C-N 3.34Å; I197-S199 PolarHBondContact O-N 2.81Å; S199-L202 WeakPolarHBondContact O-CB 3.33Å; S199-L202 PolarHBondContact O-N 2.81Å; S199-F203 WeakPolarHBondContact O-CD2 3.4Å; S199-F203 WeakPolarHBondContact O-CG 3.39Å; S199-F203 PolarHBondContact O-N 2.94Å; S199-F203 VanDerWaalsContact OG-CE2 3.23Å; S199-F203 WeakPolarHBondContact OG-CE2 3.44Å
200N98.2Very high97.5Very high47 Ų4731.4 Ų31.425%0.25116%0.158SC..Hα-helixtrans-65.2-41.2176.7-79-86.3000112.3F177 K196 I197 L202 F203 I204 M313F177-N200 HydrophobicContact CD2-CB 4.42Å; F177-N200 HydrophobicContact CE1-CB 4.19Å; F177-N200 HydrophobicContact CE2-CB 3.58Å; F177-N200 HydrophobicContact CZ-CB 3.45Å; F177-N200 VanDerWaalsContact CZ-CB 3.45Å; K196-N200 WeakPolarHBondContact O-CB 3.5Å; K196-N200 PolarHBondContact O-N 3.44Å; K196-N200 PolarHBondContact O-ND2 2.93Å; I197-N200 PolarHBondContact O-N 3.36Å; N200-L202 VanDerWaalsContact C-N 3.32Å; N200-L202 PolarHBondContact O-N 3.09Å; N200-F203 PolarHBondContact O-N 3.42Å; N200-I204 WeakPolarHBondContact O-CD1 3.43Å; N200-I204 WeakPolarHBondContact O-CG1 3.34Å; N200-I204 PolarHBondContact O-N 2.88Å; N200-I204 VanDerWaalsContact O-N 3.07Å; N200-M313 HydrophobicContact CB-CE 4.37Å
201Y98.6Very high97.6Very high7 Ų730 Ų303%0.02714%0.143CC..Hα-helixtrans-60.4-43.7175.8-163.9-81000111.3L43 L46 Q47 T50 L178 I197 V198 I204 C205L43-Y201 HydrophobicContact CD1-CD1 4.04Å; L43-Y201 HydrophobicContact CD1-CD2 4.18Å; L43-Y201 HydrophobicContact CD1-CG 3.85Å; L46-Y201 HydrophobicContact CB-CD1 3.98Å; L46-Y201 HydrophobicContact CB-CE1 3.91Å; L46-Y201 HydrophobicContact CD1-CD1 4.11Å; Q47-Y201 HydrophobicContact CG-CE1 4.17Å; Q47-Y201 HydrophobicContact CG-CE2 4.36Å; T50-Y201 HydrophobicContact CG2-CE1 4.18Å; T50-Y201 PolarHBondContact OG1-OH 3.15Å; L178-Y201 HydrophobicContact CD2-CD2 3.79Å; L178-Y201 HydrophobicContact CD2-CE2 4.11Å; I197-Y201 WeakPolarHBondContact O-CB 3.26Å; I197-Y201 PolarHBondContact O-N 3.33Å; V198-Y201 PolarHBondContact O-N 3.31Å; Y201-I204 PolarHBondContact O-N 3.48Å; Y201-C205 VanDerWaalsContact CD1-SG 3.53Å; Y201-C205 WeakPolarHBondContact CE1-SG 3.37Å; Y201-C205 PolarHBondContact O-N 3.11Å; Y201-C205 PolarHBondContact O-SG 3.17Å
202L98.5Very high97.6Very high10 Ų1029.7 Ų29.75%0.05214%0.142CC..Hα-helixtrans-60.1-46.2175.5-175.9157.4000111.4C29 I34 L46 V198 S199 N200 I204 C205 R206C29-L202 HydrophobicContact CB-CD2 3.94Å; C29-L202 HydrophobicContact CB-CG 3.94Å; I34-L202 HydrophobicContact CD1-CB 4.49Å; I34-L202 HydrophobicContact CD1-CD1 4.03Å; I34-L202 HydrophobicContact CG1-CD1 4.47Å; L46-L202 HydrophobicContact CD1-CB 3.87Å; L46-L202 HydrophobicContact CD1-CG 4.34Å; V198-L202 VanDerWaalsContact O-CB 3.3Å; V198-L202 WeakPolarHBondContact O-CB 3.35Å; V198-L202 PolarHBondContact O-N 3.22Å; S199-L202 WeakPolarHBondContact O-CB 3.33Å; S199-L202 PolarHBondContact O-N 2.81Å; N200-L202 VanDerWaalsContact C-N 3.32Å; N200-L202 PolarHBondContact O-N 3.09Å; L202-I204 VanDerWaalsContact C-N 3.3Å; L202-I204 PolarHBondContact O-N 3.42Å; L202-C205 WeakPolarHBondContact O-CB 3.23Å; L202-C205 PolarHBondContact O-N 2.98Å; L202-R206 HydrophobicContact CD2-CG 4.13Å; L202-R206 WeakPolarHBondContact O-CG 3.4Å; L202-R206 PolarHBondContact O-N 3.43Å
203F97.8Very high97.6Very high95 Ų9533.3 Ų33.342%0.41715%0.148SC..Hα-helixtrans-59.8-41.2178-72.8-55.8000112.3S199 N200 R206 Q207S199-F203 WeakPolarHBondContact O-CD2 3.4Å; S199-F203 WeakPolarHBondContact O-CG 3.39Å; S199-F203 PolarHBondContact O-N 2.94Å; S199-F203 VanDerWaalsContact OG-CE2 3.23Å; S199-F203 WeakPolarHBondContact OG-CE2 3.44Å; N200-F203 PolarHBondContact O-N 3.42Å; F203-R206 WeakPolarHBondContact O-CB 3.47Å; F203-R206 PolarHBondContact O-N 3.3Å; F203-Q207 WeakPolarHBondContact O-CG 3.26Å; F203-Q207 PolarHBondContact O-N 2.91Å
204I98.5Very high97.4Very high11 Ų1136.1 Ų36.16%0.05616%0.161CC..Hα-helixtrans-69.7-37.1179.3-69.5160.2000111.2F177 L178 N200 Y201 L202 R206 Q207 Y208 Y234 V238F177-I204 HydrophobicContact CE2-CD1 4.16Å; F177-I204 HydrophobicContact CZ-CD1 3.59Å; L178-I204 HydrophobicContact CD1-CD1 3.91Å; L178-I204 HydrophobicContact CD2-CB 4.37Å; L178-I204 HydrophobicContact CD2-CD1 3.65Å; L178-I204 HydrophobicContact CD2-CG2 4.13Å; L178-I204 HydrophobicContact CG-CD1 4.1Å; N200-I204 WeakPolarHBondContact O-CD1 3.43Å; N200-I204 WeakPolarHBondContact O-CG1 3.34Å; N200-I204 PolarHBondContact O-N 2.88Å; N200-I204 VanDerWaalsContact O-N 3.07Å; Y201-I204 PolarHBondContact O-N 3.48Å; L202-I204 VanDerWaalsContact C-N 3.3Å; L202-I204 PolarHBondContact O-N 3.42Å; I204-R206 VanDerWaalsContact C-N 3.32Å; I204-R206 PolarHBondContact O-N 3.44Å; I204-Q207 PolarHBondContact O-N 3.05Å; I204-Y208 WeakPolarHBondContact O-CB 3.4Å; I204-Y208 PolarHBondContact O-N 3.18Å; I204-Y234 HydrophobicContact CG2-CD1 4.28Å; I204-Y234 HydrophobicContact CG2-CE1 4.02Å; I204-V238 HydrophobicContact CD1-CG1 3.76Å; I204-V238 HydrophobicContact CG1-CG1 4.16Å
205C98.7Very high97.2Very high0 Ų035.9 Ų35.90%016%0.159CC..Hα-helixtrans-60.4-40171.2-70.10000112.5L25 C29 Y201 L202 S209L25-C205 HydrophobicContact CD1-CB 3.89Å; L25-C205 HydrophobicContact CD2-CB 3.9Å; L25-C205 HydrophobicContact CG-CB 3.9Å; C29-C205 VanDerWaalsContact SG-CB 3.56Å; Y201-C205 VanDerWaalsContact CD1-SG 3.53Å; Y201-C205 WeakPolarHBondContact CE1-SG 3.37Å; Y201-C205 PolarHBondContact O-N 3.11Å; Y201-C205 PolarHBondContact O-SG 3.17Å; L202-C205 WeakPolarHBondContact O-CB 3.23Å; L202-C205 PolarHBondContact O-N 2.98Å; C205-S209 WeakPolarHBondContact O-CB 3.19Å; C205-S209 PolarHBondContact O-N 2.96Å; C205-S209 PolarHBondContact O-OG 2.72Å
206R98.1Very high96.9Very high97 Ų9734.3 Ų34.337%0.36615%0.153SC..Hα-helixtrans-64.7-46.6174.4-70.1177.865.7-167.4-1.9111.6M26 C29 L202 F203 I204 S209 Y210M26-R206 VanDerWaalsContact CE-O 3.31Å; M26-R206 WeakPolarHBondContact CE-O 3.45Å; M26-R206 HydrophobicContact SD-CB 4.4Å; M26-R206 HydrophobicContact SD-CG 4.23Å; C29-R206 HydrophobicContact CB-CG 3.27Å; L202-R206 HydrophobicContact CD2-CG 4.13Å; L202-R206 WeakPolarHBondContact O-CG 3.4Å; L202-R206 PolarHBondContact O-N 3.43Å; F203-R206 WeakPolarHBondContact O-CB 3.47Å; F203-R206 PolarHBondContact O-N 3.3Å; I204-R206 VanDerWaalsContact C-N 3.32Å; I204-R206 PolarHBondContact O-N 3.44Å; R206-S209 PolarHBondContact O-N 3.01Å; R206-Y210 WeakPolarHBondContact O-CB 3.32Å; R206-Y210 PolarHBondContact O-N 2.94Å
207Q97.9Very high96.4Very high27 Ų2738.2 Ų38.213%0.12617%0.17CC..Hα-helixtrans-61.7-48.3178.7-68.4171.4-6.600111.2L138 F203 I204 S209 Y210 F211 Y234L138-Q207 HydrophobicContact CD2-CG 4.27Å; F203-Q207 WeakPolarHBondContact O-CG 3.26Å; F203-Q207 PolarHBondContact O-N 2.91Å; I204-Q207 PolarHBondContact O-N 3.05Å; Q207-S209 VanDerWaalsContact C-N 3.33Å; Q207-S209 PolarHBondContact O-N 2.75Å; Q207-Y210 WeakPolarHBondContact O-CB 3.3Å; Q207-Y210 PolarHBondContact O-N 3.22Å; Q207-F211 HydrophobicContact CB-CE2 4.33Å; Q207-F211 WeakPolarHBondContact O-CD2 3.13Å; Q207-F211 PolarHBondContact O-N 3.38Å; Q207-Y234 HydrophobicContact CB-CE1 4.09Å; Q207-Y234 VanDerWaalsContact CB-OH 3.26Å; Q207-Y234 WeakPolarHBondContact CB-OH 3.13Å; Q207-Y234 PolarHBondContact OE1-OH 2.99Å; Q207-Y234 VanDerWaalsContact OE1-OH 3.06Å
208Y98.6Very high95.7Very high0 Ų041.6 Ų41.60%019%0.188CC..Hα-helixtrans-54.3-50.9174.5171.8-101000111.2L25 I53 Q57 I204 Y210 F211 C212 F229 F231 Y234L25-Y208 HydrophobicContact CD2-CD1 4.33Å; I53-Y208 HydrophobicContact CD1-CE1 4.28Å; I53-Y208 HydrophobicContact CG2-CE1 4.15Å; Q57-Y208 PolarHBondContact NE2-OH 3.39Å; I204-Y208 WeakPolarHBondContact O-CB 3.4Å; I204-Y208 PolarHBondContact O-N 3.18Å; Y208-Y210 VanDerWaalsContact C-N 3.28Å; Y208-Y210 PolarHBondContact O-N 2.95Å; Y208-F211 PolarHBondContact O-N 3.16Å; Y208-C212 HydrophobicContact CE1-CB 4.13Å; Y208-C212 HydrophobicContact CE2-CB 4.43Å; Y208-C212 WeakPolarHBondContact O-CB 3.31Å; Y208-C212 PolarHBondContact O-N 3.34Å; Y208-F229 AromaticContact CD2-CD1 3.93Å; Y208-F229 HydrophobicContact CD2-CD1 3.93Å; Y208-F229 AromaticContact CD2-CE1 3.49Å; Y208-F229 HydrophobicContact CD2-CE1 3.49Å; Y208-F229 VanDerWaalsContact CD2-CE1 3.49Å; Y208-F229 HydrophobicContact CD2-CZ 4.37Å; Y208-F229 AromaticContact CE2-CD1 3.49Å; Y208-F229 HydrophobicContact CE2-CD1 3.49Å; Y208-F229 VanDerWaalsContact CE2-CD1 3.49Å; Y208-F229 AromaticContact CE2-CE1 3.58Å; Y208-F229 HydrophobicContact CE2-CE1 3.58Å; Y208-F229 HydrophobicContact CE2-CG 4.46Å; Y208-F229 PolarHBondContact OH-O 3.15Å; Y208-F231 AromaticContact CD1-CD2 3.61Å; Y208-F231 HydrophobicContact CD1-CD2 3.61Å; Y208-F231 HydrophobicContact CD1-CE2 4.4Å; Y208-F231 HydrophobicContact CD2-CB 4.19Å; Y208-F231 AromaticContact CD2-CD2 3.85Å; Y208-F231 HydrophobicContact CD2-CD2 3.85Å; Y208-F231 HydrophobicContact CD2-CG 4.46Å; Y208-F231 HydrophobicContact CE1-CB 4.13Å; Y208-F231 HydrophobicContact CE1-CD2 4.04Å; Y208-F231 HydrophobicContact CE2-CB 3.81Å; Y208-F231 HydrophobicContact CE2-CD2 4.29Å; Y208-F231 AromaticContact CG-CD2 3.5Å; Y208-F231 HydrophobicContact CG-CD2 3.5Å; Y208-F231 VanDerWaalsContact CG-CD2 3.5Å; Y208-F231 HydrophobicContact CG-CE2 4.19Å; Y208-F231 HydrophobicContact CG-CG 4.46Å; Y208-Y234 HydrophobicContact CD2-CD1 4.21Å; Y208-Y234 HydrophobicContact CD2-CG 4.25Å
209S98.2Very high94.6Very high4 Ų447.6 Ų47.63%0.02822%0.216CC..Hα-helixtrans-66.8-32.9-175.2-59.20000112.5S22 L25 C205 R206 Q207 R213S22-S209 PolarHBondContact O-OG 3.15Å; S22-S209 WeakPolarHBondContact OG-CA 3.23Å; S22-S209 WeakPolarHBondContact OG-CB 3.33Å; S22-S209 PolarHBondContact OG-OG 3.37Å; L25-S209 WeakPolarHBondContact CD2-OG 3.34Å; C205-S209 WeakPolarHBondContact O-CB 3.19Å; C205-S209 PolarHBondContact O-N 2.96Å; C205-S209 PolarHBondContact O-OG 2.72Å; R206-S209 PolarHBondContact O-N 3.01Å; Q207-S209 VanDerWaalsContact C-N 3.33Å; Q207-S209 PolarHBondContact O-N 2.75Å; S209-R213 PolarHBondContact O-N 3.37Å
210Y97.4Very high93.7Very high67 Ų6751.6 Ų51.626%0.26324%0.239SC..Hα-helixtrans-60.9-57.1170.5176.6-97.7000111.4D136 L138 R206 Q207 Y208 C212 R213 H214D136-Y210 WeakPolarHBondContact OD2-CE1 3.43Å; D136-Y210 PolarHBondContact OD2-OH 2.68Å; L138-Y210 HydrophobicContact CB-CD1 4.41Å; L138-Y210 HydrophobicContact CB-CE1 3.87Å; L138-Y210 HydrophobicContact CD2-CD1 3.59Å; L138-Y210 HydrophobicContact CD2-CE1 3.92Å; L138-Y210 HydrophobicContact CD2-CG 4.18Å; R206-Y210 WeakPolarHBondContact O-CB 3.32Å; R206-Y210 PolarHBondContact O-N 2.94Å; Q207-Y210 WeakPolarHBondContact O-CB 3.3Å; Q207-Y210 PolarHBondContact O-N 3.22Å; Y208-Y210 VanDerWaalsContact C-N 3.28Å; Y208-Y210 PolarHBondContact O-N 2.95Å; Y210-C212 PolarHBondContact O-N 3.31Å; Y210-R213 WeakPolarHBondContact O-CB 3.28Å; Y210-R213 PolarHBondContact O-N 3.36Å; Y210-H214 AromaticContact CE1-CD2 3.79Å; Y210-H214 AromaticContact CE1-NE2 3.91Å; Y210-H214 AromaticContact CE2-CD2 3.89Å; Y210-H214 AromaticContact CE2-NE2 3.46Å; Y210-H214 WeakPolarHBondContact CE2-NE2 3.25Å; Y210-H214 AromaticContact CZ-CD2 3.68Å; Y210-H214 AromaticContact CZ-NE2 3.31Å; Y210-H214 VanDerWaalsContact CZ-NE2 3.31Å; Y210-H214 PolarHBondContact O-CD2 3.34Å; Y210-H214 PolarHBondContact O-N 3.02Å; Y210-H214 PolarHBondContact OH-NE2 3.45Å
211F97.1Very high92.9Very high0 Ų051 Ų510%024%0.235CC..Hα-helixtrans-66.1-38-178.1-67.2-57000113.1F132 L138 A139 V145 L149 Q207 Y208 R213 H214 F215 F229 Y234F132-F211 AromaticContact CE1-CD1 3.95Å; F132-F211 HydrophobicContact CE1-CD1 3.95Å; F132-F211 HydrophobicContact CE1-CE1 4Å; F132-F211 AromaticContact CZ-CD1 3.92Å; F132-F211 HydrophobicContact CZ-CD1 3.92Å; F132-F211 HydrophobicContact CZ-CE1 4.12Å; L138-F211 HydrophobicContact CB-CZ 4.33Å; L138-F211 HydrophobicContact CD2-CE1 4.44Å; L138-F211 HydrophobicContact CD2-CE2 3.91Å; L138-F211 HydrophobicContact CD2-CZ 3.67Å; L138-F211 HydrophobicContact CG-CZ 4.08Å; A139-F211 HydrophobicContact CB-CE1 4.44Å; A139-F211 HydrophobicContact CB-CZ 4.44Å; V145-F211 HydrophobicContact CG1-CE2 3.48Å; V145-F211 VanDerWaalsContact CG1-CE2 3.48Å; V145-F211 HydrophobicContact CG1-CZ 3.45Å; V145-F211 VanDerWaalsContact CG1-CZ 3.45Å; L149-F211 HydrophobicContact CD1-CD1 4.29Å; L149-F211 HydrophobicContact CD1-CE1 3.81Å; L149-F211 HydrophobicContact CD1-CE2 4.43Å; L149-F211 HydrophobicContact CD1-CZ 3.89Å; L149-F211 HydrophobicContact CD2-CD2 4.5Å; L149-F211 HydrophobicContact CD2-CG 4.49Å; Q207-F211 HydrophobicContact CB-CE2 4.33Å; Q207-F211 WeakPolarHBondContact O-CD2 3.13Å; Q207-F211 PolarHBondContact O-N 3.38Å; Y208-F211 PolarHBondContact O-N 3.16Å; F211-R213 VanDerWaalsContact C-N 3.29Å; F211-R213 PolarHBondContact O-N 3.3Å; F211-H214 PolarHBondContact O-N 3.5Å; F211-H214 VanDerWaalsContact O-N 3.08Å; F211-F215 HydrophobicContact CB-CD2 4.33Å; F211-F215 HydrophobicContact CB-CE2 3.93Å; F211-F215 HydrophobicContact CB-CZ 4.48Å; F211-F215 WeakPolarHBondContact O-CD2 3.5Å; F211-F215 WeakPolarHBondContact O-CG 3.48Å; F211-F215 PolarHBondContact O-N 3.31Å; F211-F229 HydrophobicContact CB-CE1 3.82Å; F211-F229 HydrophobicContact CB-CZ 4.07Å; F211-Y234 HydrophobicContact CD2-CE2 4.23Å
212C96.3Very high92.3Very high1 Ų151.1 Ų51.11%0.00724%0.236CC..Hα-helixtrans-54.4-46.9174.8-172.40000110.9T18 Y208 Y210 H214 F215 I216 F229T18-C212 VanDerWaalsContact CG2-SG 3.53Å; Y208-C212 HydrophobicContact CE1-CB 4.13Å; Y208-C212 HydrophobicContact CE2-CB 4.43Å; Y208-C212 WeakPolarHBondContact O-CB 3.31Å; Y208-C212 PolarHBondContact O-N 3.34Å; Y210-C212 PolarHBondContact O-N 3.31Å; C212-H214 PolarHBondContact O-N 2.89Å; C212-F215 PolarHBondContact O-N 3.08Å; C212-I216 WeakPolarHBondContact O-CB 3.23Å; C212-I216 VanDerWaalsContact O-CG1 3.28Å; C212-I216 WeakPolarHBondContact O-CG1 3.49Å; C212-I216 PolarHBondContact O-N 2.84Å; C212-I216 VanDerWaalsContact SG-CD1 3.58Å; C212-F229 HydrophobicContact CB-CD1 4.01Å
213R94.4Very high91.6Very high135 Ų13557.7 Ų57.751%0.50927%0.271SS..Hα-helixtrans-61.3-41.4176.2-169.4-176.7-166.7-160.22.4112.5S209 Y210 F211 K217S209-R213 PolarHBondContact O-N 3.37Å; Y210-R213 WeakPolarHBondContact O-CB 3.28Å; Y210-R213 PolarHBondContact O-N 3.36Å; F211-R213 VanDerWaalsContact C-N 3.29Å; F211-R213 PolarHBondContact O-N 3.3Å; R213-K217 HydrophobicContact CG-CD 4.17Å; R213-K217 WeakPolarHBondContact O-CB 3.48Å; R213-K217 VanDerWaalsContact O-CG 3.29Å; R213-K217 WeakPolarHBondContact O-CG 3.48Å; R213-K217 PolarHBondContact O-N 3.26Å; R213-K217 VanDerWaalsContact O-N 3.11Å
214H92.8Very high91.1Very high65 Ų6554.2 Ų54.230%0.30126%0.257SS..Hα-helixtrans-64-48.3177.9-85.1-85.1000111.8F132 Y210 F211 C212 K217 N218F132-H214 HydrophobicContact CE2-CB 4.39Å; F132-H214 HydrophobicContact CZ-CB 4.41Å; Y210-H214 AromaticContact CE1-CD2 3.79Å; Y210-H214 AromaticContact CE1-NE2 3.91Å; Y210-H214 AromaticContact CE2-CD2 3.89Å; Y210-H214 AromaticContact CE2-NE2 3.46Å; Y210-H214 WeakPolarHBondContact CE2-NE2 3.25Å; Y210-H214 AromaticContact CZ-CD2 3.68Å; Y210-H214 AromaticContact CZ-NE2 3.31Å; Y210-H214 VanDerWaalsContact CZ-NE2 3.31Å; Y210-H214 PolarHBondContact O-CD2 3.34Å; Y210-H214 PolarHBondContact O-N 3.02Å; Y210-H214 PolarHBondContact OH-NE2 3.45Å; F211-H214 PolarHBondContact O-N 3.5Å; F211-H214 VanDerWaalsContact O-N 3.08Å; C212-H214 PolarHBondContact O-N 2.89Å; H214-K217 PolarHBondContact O-N 3.31Å; H214-N218 PolarHBondContact O-N 2.92Å
215F93.6Very high90.6Very high10 Ų1058.4 Ų58.44%0.04429%0.285CS..Hα-helixtrans-72.8-30.4-177-59.8-33.4000113.4L129 F132 L149 F211 C212 I221 I222 F229L129-F215 HydrophobicContact CD2-CE1 4.46Å; F132-F215 AromaticContact CD1-CE1 3.9Å; F132-F215 HydrophobicContact CD1-CE1 3.9Å; F132-F215 HydrophobicContact CD1-CZ 4.08Å; F132-F215 HydrophobicContact CD2-CE1 4.36Å; F132-F215 AromaticContact CE1-CE1 3.65Å; F132-F215 HydrophobicContact CE1-CE1 3.65Å; F132-F215 AromaticContact CE1-CZ 3.67Å; F132-F215 HydrophobicContact CE1-CZ 3.67Å; F132-F215 HydrophobicContact CE2-CE1 4.13Å; F132-F215 HydrophobicContact CG-CE1 4.26Å; F132-F215 AromaticContact CZ-CE1 3.78Å; F132-F215 HydrophobicContact CZ-CE1 3.78Å; F132-F215 HydrophobicContact CZ-CZ 4.12Å; L149-F215 HydrophobicContact CD2-CE2 4.42Å; L149-F215 HydrophobicContact CD2-CZ 4.32Å; F211-F215 HydrophobicContact CB-CD2 4.33Å; F211-F215 HydrophobicContact CB-CE2 3.93Å; F211-F215 HydrophobicContact CB-CZ 4.48Å; F211-F215 WeakPolarHBondContact O-CD2 3.5Å; F211-F215 WeakPolarHBondContact O-CG 3.48Å; F211-F215 PolarHBondContact O-N 3.31Å; C212-F215 PolarHBondContact O-N 3.08Å; F215-I221 HydrophobicContact CD1-CB 4.49Å; F215-I221 HydrophobicContact CD1-CD1 4.38Å; F215-I221 HydrophobicContact CD1-CG2 4.08Å; F215-I221 HydrophobicContact CE1-CG2 3.92Å; F215-I222 HydrophobicContact CB-CD1 4.01Å; F215-I222 HydrophobicContact CD1-CD1 3.69Å; F215-I222 HydrophobicContact CD1-CG1 4.21Å; F215-I222 HydrophobicContact CD2-CD1 3.92Å; F215-I222 HydrophobicContact CE1-CD1 4.11Å; F215-I222 HydrophobicContact CE2-CD1 4.3Å; F215-I222 HydrophobicContact CG-CD1 3.6Å; F215-I222 HydrophobicContact CZ-CD1 4.39Å; F215-F229 HydrophobicContact CD2-CB 4.11Å; F215-F229 HydrophobicContact CD2-CD1 4.03Å; F215-F229 AromaticContact CD2-CD2 3.66Å; F215-F229 HydrophobicContact CD2-CD2 3.66Å; F215-F229 HydrophobicContact CD2-CE1 4.33Å; F215-F229 AromaticContact CD2-CE2 4Å; F215-F229 HydrophobicContact CD2-CE2 4Å; F215-F229 AromaticContact CD2-CG 3.67Å; F215-F229 HydrophobicContact CD2-CG 3.67Å; F215-F229 HydrophobicContact CD2-CZ 4.32Å; F215-F229 AromaticContact CE2-CD2 3.84Å; F215-F229 HydrophobicContact CE2-CD2 3.84Å; F215-F229 HydrophobicContact CE2-CE1 4.39Å; F215-F229 AromaticContact CE2-CE2 3.71Å; F215-F229 HydrophobicContact CE2-CE2 3.71Å; F215-F229 HydrophobicContact CE2-CG 4.25Å; F215-F229 AromaticContact CE2-CZ 4Å; F215-F229 HydrophobicContact CE2-CZ 4Å
216I89Confident90Very high46 Ų4662.1 Ų62.124%0.23631%0.305CS..Hα-helixtrans-70-43.9172.3-70173.6000111T18 C212T18-I216 HydrophobicContact CG2-CD1 4.23Å; C212-I216 WeakPolarHBondContact O-CB 3.23Å; C212-I216 VanDerWaalsContact O-CG1 3.28Å; C212-I216 WeakPolarHBondContact O-CG1 3.49Å; C212-I216 PolarHBondContact O-N 2.84Å; C212-I216 VanDerWaalsContact SG-CD1 3.58Å
217K86.7Confident89.7Confident145 Ų14558.9 Ų58.963%0.6329%0.293SS*.Hα-helixtrans-72.3-35.9-177.5-76.4-175.9175.3-1710113.2R213 H214R213-K217 HydrophobicContact CG-CD 4.17Å; R213-K217 WeakPolarHBondContact O-CB 3.48Å; R213-K217 VanDerWaalsContact O-CG 3.29Å; R213-K217 WeakPolarHBondContact O-CG 3.48Å; R213-K217 PolarHBondContact O-N 3.26Å; R213-K217 VanDerWaalsContact O-N 3.11Å; H214-K217 PolarHBondContact O-N 3.31Å
218N82.5Confident89.6Confident71 Ų7157.8 Ų57.838%0.3829%0.288SS..  trans-120.679.4-175.4-167.50000111.4H214 T220 I221H214-N218 PolarHBondContact O-N 2.92Å; N218-T220 PolarHBondContact O-N 2.98Å; N218-T220 VanDerWaalsContact O-N 3.11Å; N218-T220 PolarHBondContact OD1-N 3.47Å; N218-T220 PolarHBondContact OD1-OG1 2.97Å; N218-I221 HydrophobicContact CB-CD1 3.7Å; N218-I221 HydrophobicContact CB-CG1 4.06Å; N218-I221 WeakPolarHBondContact O-CB 3.44Å; N218-I221 WeakPolarHBondContact O-CG1 3.44Å; N218-I221 PolarHBondContact O-N 3.19Å; N218-I221 VanDerWaalsContact O-N 3.14Å
219Q75.3Confident89.5Confident127 Ų12758.1 Ų58.159%0.59329%0.29SS*.G310 helixtrans-63.1-14.8-180-66.5-178-3.600113.3I221 I222Q219-I221 PolarHBondContact O-N 3.18Å; Q219-I222 CarbonylContact O-C 3.53Å; Q219-I222 PolarHBondContact O-N 3Å; Q219-I222 VanDerWaalsContact O-O 3.12Å
220T79.2Confident89.4Confident119 Ų11958 Ų5873%0.7329%0.289SS*.G310 helixtrans-74.8-15.5176.969.90000113N218 I222N218-T220 PolarHBondContact O-N 2.98Å; N218-T220 VanDerWaalsContact O-N 3.11Å; N218-T220 PolarHBondContact OD1-N 3.47Å; N218-T220 PolarHBondContact OD1-OG1 2.97Å; T220-I222 VanDerWaalsContact C-N 3.28Å
221I81.2Confident89.5Confident34 Ų3454.8 Ų54.817%0.17428%0.276CS..G310 helixtrans-67.5-35.3174.7-60.6170.6000110.3L129 F132 F215 N218 Q219L129-I221 HydrophobicContact CD2-CG2 3.98Å; F132-I221 HydrophobicContact CB-CG2 3.94Å; F132-I221 HydrophobicContact CD2-CD1 3.77Å; F132-I221 HydrophobicContact CD2-CG2 4.11Å; F132-I221 HydrophobicContact CE2-CD1 4.03Å; F132-I221 HydrophobicContact CG-CG2 4.03Å; F215-I221 HydrophobicContact CD1-CB 4.49Å; F215-I221 HydrophobicContact CD1-CD1 4.38Å; F215-I221 HydrophobicContact CD1-CG2 4.08Å; F215-I221 HydrophobicContact CE1-CG2 3.92Å; N218-I221 HydrophobicContact CB-CD1 3.7Å; N218-I221 HydrophobicContact CB-CG1 4.06Å; N218-I221 WeakPolarHBondContact O-CB 3.44Å; N218-I221 WeakPolarHBondContact O-CG1 3.44Å; N218-I221 PolarHBondContact O-N 3.19Å; N218-I221 VanDerWaalsContact O-N 3.14Å; Q219-I221 PolarHBondContact O-N 3.18Å
222I85.6Confident89.5Confident10 Ų1055.8 Ų55.85%0.05128%0.282CS..  trans-124.589.5-175.4-52.5-174.5000108.6F128 L129 F215 Q219 T220 I224 F227F128-I222 HydrophobicContact CE2-CB 4.38Å; F128-I222 HydrophobicContact CE2-CG1 4.19Å; F128-I222 HydrophobicContact CE2-CG2 4.01Å; F128-I222 HydrophobicContact CZ-CG2 4.22Å; L129-I222 HydrophobicContact CD2-CD1 4.32Å; L129-I222 HydrophobicContact CD2-CG1 4.07Å; F215-I222 HydrophobicContact CB-CD1 4.01Å; F215-I222 HydrophobicContact CD1-CD1 3.69Å; F215-I222 HydrophobicContact CD1-CG1 4.21Å; F215-I222 HydrophobicContact CD2-CD1 3.92Å; F215-I222 HydrophobicContact CE1-CD1 4.11Å; F215-I222 HydrophobicContact CE2-CD1 4.3Å; F215-I222 HydrophobicContact CG-CD1 3.6Å; F215-I222 HydrophobicContact CZ-CD1 4.39Å; Q219-I222 CarbonylContact O-C 3.53Å; Q219-I222 PolarHBondContact O-N 3Å; Q219-I222 VanDerWaalsContact O-O 3.12Å; T220-I222 VanDerWaalsContact C-N 3.28Å; I222-I224 HydrophobicContact CG2-CB 4.04Å; I222-I224 HydrophobicContact CG2-CD1 4Å; I222-I224 HydrophobicContact CG2-CG1 3.96Å; I222-I224 PolarHBondContact O-N 2.92Å; I222-F227 HydrophobicContact CB-CD1 4.15Å; I222-F227 HydrophobicContact CB-CE1 4.3Å; I222-F227 HydrophobicContact CD1-CD1 3.99Å; I222-F227 HydrophobicContact CD1-CE1 3.27Å; I222-F227 HydrophobicContact CD1-CE2 4.38Å; I222-F227 HydrophobicContact CD1-CZ 3.49Å; I222-F227 VanDerWaalsContact CD1-CZ 3.49Å; I222-F227 HydrophobicContact CG1-CE1 4.33Å; I222-F227 HydrophobicContact CG2-CB 4.24Å; I222-F227 HydrophobicContact CG2-CD1 3.7Å; I222-F227 HydrophobicContact CG2-CD2 3.78Å; I222-F227 HydrophobicContact CG2-CE1 3.94Å; I222-F227 HydrophobicContact CG2-CE2 4.01Å; I222-F227 HydrophobicContact CG2-CG 3.61Å; I222-F227 HydrophobicContact CG2-CZ 4.08Å
223D84.5Confident89.6Confident147 Ų14755.8 Ų55.879%0.78628%0.282SS*.  trans-80.358176.9-16720.7000111.5
224I88.3Confident89.8Confident23 Ų2349.3 Ų49.312%0.11826%0.257CS..  trans-119.5118.2175.3-60.6178.2000107.9Y62 F128 I222 N226 F227Y62-I224 WeakPolarHBondContact OH-CG2 3.21Å; F128-I224 HydrophobicContact CE1-CD1 3.91Å; F128-I224 HydrophobicContact CZ-CD1 3.65Å; F128-I224 HydrophobicContact CZ-CG1 4.47Å; I222-I224 HydrophobicContact CG2-CB 4.04Å; I222-I224 HydrophobicContact CG2-CD1 4Å; I222-I224 HydrophobicContact CG2-CG1 3.96Å; I222-I224 PolarHBondContact O-N 2.92Å; I224-N226 PolarHBondContact O-N 2.9Å; I224-F227 HydrophobicContact CB-CB 4.04Å; I224-F227 HydrophobicContact CB-CD2 4.38Å; I224-F227 HydrophobicContact CD1-CD2 4.47Å; I224-F227 HydrophobicContact CG2-CB 4.27Å; I224-F227 WeakPolarHBondContact O-CB 3.46Å; I224-F227 PolarHBondContact O-N 3Å
225P86.7Confident90Very high98 Ų9848.4 Ų48.464%0.63625%0.251SS*.THydrogen-bonded Turntrans-57.1137.2178.6-25.934.4000112.1F227P225-F227 PolarHBondContact O-N 3.21Å
226N87.2Confident90.3Very high79 Ų7948 Ų4842%0.42225%0.249SC..THydrogen-bonded Turntrans58.726178.5-60.5-32000114.7D8 V11 I224D8-N226 PolarHBondContact N-OD1 3.46Å; V11-N226 HydrophobicContact CG2-CB 3.67Å; I224-N226 PolarHBondContact O-N 2.9Å
227F92.3Very high90.7Very high28 Ų2845.8 Ų45.812%0.12324%0.238CC..  trans-66.9139179.3178.3-97.2000113.1Y62 Y156 I222 I224 P225 F229Y62-F227 HydrophobicContact CE2-CD2 4.43Å; Y156-F227 HydrophobicContact CD1-CE2 4.19Å; Y156-F227 AromaticContact CD2-CE2 3.7Å; Y156-F227 HydrophobicContact CD2-CE2 3.7Å; Y156-F227 HydrophobicContact CD2-CZ 4.14Å; Y156-F227 HydrophobicContact CE1-CE2 4.15Å; Y156-F227 AromaticContact CE2-CE2 3.65Å; Y156-F227 HydrophobicContact CE2-CE2 3.65Å; Y156-F227 AromaticContact CE2-CZ 3.72Å; Y156-F227 HydrophobicContact CE2-CZ 3.72Å; Y156-F227 AromaticContact CG-CE2 3.98Å; Y156-F227 HydrophobicContact CG-CE2 3.98Å; Y156-F227 AromaticContact CZ-CE2 3.89Å; I222-F227 HydrophobicContact CB-CD1 4.15Å; I222-F227 HydrophobicContact CB-CE1 4.3Å; I222-F227 HydrophobicContact CD1-CD1 3.99Å; I222-F227 HydrophobicContact CD1-CE1 3.27Å; I222-F227 HydrophobicContact CD1-CE2 4.38Å; I222-F227 HydrophobicContact CD1-CZ 3.49Å; I222-F227 VanDerWaalsContact CD1-CZ 3.49Å; I222-F227 HydrophobicContact CG1-CE1 4.33Å; I222-F227 HydrophobicContact CG2-CB 4.24Å; I222-F227 HydrophobicContact CG2-CD1 3.7Å; I222-F227 HydrophobicContact CG2-CD2 3.78Å; I222-F227 HydrophobicContact CG2-CE1 3.94Å; I222-F227 HydrophobicContact CG2-CE2 4.01Å; I222-F227 HydrophobicContact CG2-CG 3.61Å; I222-F227 HydrophobicContact CG2-CZ 4.08Å; I224-F227 HydrophobicContact CB-CB 4.04Å; I224-F227 HydrophobicContact CB-CD2 4.38Å; I224-F227 HydrophobicContact CD1-CD2 4.47Å; I224-F227 HydrophobicContact CG2-CB 4.27Å; I224-F227 WeakPolarHBondContact O-CB 3.46Å; I224-F227 PolarHBondContact O-N 3Å; P225-F227 PolarHBondContact O-N 3.21Å; F227-F229 HydrophobicContact CE1-CB 3.86Å; F227-F229 HydrophobicContact CZ-CB 4.08Å; F227-F229 HydrophobicContact CZ-CD2 4.2Å
228V94.4Very high91.3Very high4 Ų439.6 Ų39.62%0.02421%0.212CC..  trans-133.9125.6171.2-179.70000107.8V11 V14 Q57 H60 C230V11-V228 HydrophobicContact CG1-CG2 4.06Å; V14-V228 HydrophobicContact CG1-CG1 3.93Å; V14-V228 HydrophobicContact CG1-CG2 4Å; Q57-V228 HydrophobicContact CG-CG1 3.96Å; H60-V228 HydrophobicContact CB-CB 3.79Å; H60-V228 HydrophobicContact CB-CG1 4.45Å; H60-V228 HydrophobicContact CB-CG2 3.99Å; V228-C230 PolarHBondContact O-N 3.32Å; V228-C230 VanDerWaalsContact O-N 3.07Å; V228-C230 PolarHBondContact O-SG 3.3Å; V228-C230 VanDerWaalsContact O-SG 3.34Å
229F96.3Very high92.1Very high7 Ų736.2 Ų36.23%0.03119%0.194CC..  trans-76.895.7176.2-175.7-116.5000110.4Q57 L152 Y156 Y208 F211 C212 F215 F227 Y234Q57-F229 PolarHBondContact NE2-O 3.07Å; L152-F229 HydrophobicContact CD1-CE2 3.98Å; L152-F229 HydrophobicContact CD1-CZ 4.45Å; Y156-F229 WeakPolarHBondContact OH-CD2 3.17Å; Y208-F229 AromaticContact CD2-CD1 3.93Å; Y208-F229 HydrophobicContact CD2-CD1 3.93Å; Y208-F229 AromaticContact CD2-CE1 3.49Å; Y208-F229 HydrophobicContact CD2-CE1 3.49Å; Y208-F229 VanDerWaalsContact CD2-CE1 3.49Å; Y208-F229 HydrophobicContact CD2-CZ 4.37Å; Y208-F229 AromaticContact CE2-CD1 3.49Å; Y208-F229 HydrophobicContact CE2-CD1 3.49Å; Y208-F229 VanDerWaalsContact CE2-CD1 3.49Å; Y208-F229 AromaticContact CE2-CE1 3.58Å; Y208-F229 HydrophobicContact CE2-CE1 3.58Å; Y208-F229 HydrophobicContact CE2-CG 4.46Å; Y208-F229 PolarHBondContact OH-O 3.15Å; F211-F229 HydrophobicContact CB-CE1 3.82Å; F211-F229 HydrophobicContact CB-CZ 4.07Å; C212-F229 HydrophobicContact CB-CD1 4.01Å; F215-F229 HydrophobicContact CD2-CB 4.11Å; F215-F229 HydrophobicContact CD2-CD1 4.03Å; F215-F229 AromaticContact CD2-CD2 3.66Å; F215-F229 HydrophobicContact CD2-CD2 3.66Å; F215-F229 HydrophobicContact CD2-CE1 4.33Å; F215-F229 AromaticContact CD2-CE2 4Å; F215-F229 HydrophobicContact CD2-CE2 4Å; F215-F229 AromaticContact CD2-CG 3.67Å; F215-F229 HydrophobicContact CD2-CG 3.67Å; F215-F229 HydrophobicContact CD2-CZ 4.32Å; F215-F229 AromaticContact CE2-CD2 3.84Å; F215-F229 HydrophobicContact CE2-CD2 3.84Å; F215-F229 HydrophobicContact CE2-CE1 4.39Å; F215-F229 AromaticContact CE2-CE2 3.71Å; F215-F229 HydrophobicContact CE2-CE2 3.71Å; F215-F229 HydrophobicContact CE2-CG 4.25Å; F215-F229 AromaticContact CE2-CZ 4Å; F215-F229 HydrophobicContact CE2-CZ 4Å; F227-F229 HydrophobicContact CE1-CB 3.86Å; F227-F229 HydrophobicContact CZ-CB 4.08Å; F227-F229 HydrophobicContact CZ-CD2 4.2Å; F229-Y234 HydrophobicContact CE2-CD2 4.48Å; F229-Y234 AromaticContact CZ-CD2 3.7Å; F229-Y234 HydrophobicContact CZ-CD2 3.7Å; F229-Y234 HydrophobicContact CZ-CE2 4.46Å; F229-Y234 HydrophobicContact CZ-CG 4.07Å
230C97.5Very high93.2Very high1 Ų130.1 Ų30.11%0.00717%0.166CC..  trans-79.3137.1-171.7-61.10000112Q57 H60 V228 D232 D233 Y234Q57-C230 HydrophobicContact CB-CB 4.4Å; H60-C230 VanDerWaalsContact C-SG 3.55Å; V228-C230 PolarHBondContact O-N 3.32Å; V228-C230 VanDerWaalsContact O-N 3.07Å; V228-C230 PolarHBondContact O-SG 3.3Å; V228-C230 VanDerWaalsContact O-SG 3.34Å; C230-D232 PolarHBondContact O-N 3.05Å; C230-D233 HydrophobicContact CB-CB 4.23Å; C230-D233 PolarHBondContact O-N 2.97Å; C230-Y234 PolarHBondContact O-N 2.87Å
231F98.3Very high94.1Very high0 Ų024.7 Ų24.70%013%0.132CC..Hα-helixtrans-61.3-37.1173.9180-90.9000111.2T50 I53 I54 Y208 Y234 R235T50-F231 HydrophobicContact CG2-CD1 4.42Å; T50-F231 HydrophobicContact CG2-CD2 4.14Å; T50-F231 HydrophobicContact CG2-CE1 3.87Å; T50-F231 HydrophobicContact CG2-CE2 3.58Å; T50-F231 HydrophobicContact CG2-CZ 3.42Å; T50-F231 VanDerWaalsContact CG2-CZ 3.42Å; I53-F231 HydrophobicContact CG2-CB 3.74Å; I54-F231 HydrophobicContact CD1-CD1 3.79Å; I54-F231 HydrophobicContact CD1-CE1 4.32Å; I54-F231 HydrophobicContact CG1-CB 4.26Å; I54-F231 HydrophobicContact CG1-CD1 3.83Å; I54-F231 HydrophobicContact CG1-CG 4.48Å; Y208-F231 AromaticContact CD1-CD2 3.61Å; Y208-F231 HydrophobicContact CD1-CD2 3.61Å; Y208-F231 HydrophobicContact CD1-CE2 4.4Å; Y208-F231 HydrophobicContact CD2-CB 4.19Å; Y208-F231 AromaticContact CD2-CD2 3.85Å; Y208-F231 HydrophobicContact CD2-CD2 3.85Å; Y208-F231 HydrophobicContact CD2-CG 4.46Å; Y208-F231 HydrophobicContact CE1-CB 4.13Å; Y208-F231 HydrophobicContact CE1-CD2 4.04Å; Y208-F231 HydrophobicContact CE2-CB 3.81Å; Y208-F231 HydrophobicContact CE2-CD2 4.29Å; Y208-F231 AromaticContact CG-CD2 3.5Å; Y208-F231 HydrophobicContact CG-CD2 3.5Å; Y208-F231 VanDerWaalsContact CG-CD2 3.5Å; Y208-F231 HydrophobicContact CG-CE2 4.19Å; Y208-F231 HydrophobicContact CG-CG 4.46Å; F231-Y234 PolarHBondContact O-N 3.1Å; F231-R235 HydrophobicContact CD1-CB 4.44Å; F231-R235 HydrophobicContact CE1-CB 4.2Å; F231-R235 WeakPolarHBondContact O-CB 3.4Å; F231-R235 PolarHBondContact O-N 3.49Å
232D97.4Very high94.8Very high22 Ų2224.4 Ų24.412%0.11813%0.131CC..Hα-helixtrans-64.9-41.5-179.2-158.526.7000112.5I54 V63 C230 Y234 R235 W236I54-D232 HydrophobicContact CG1-CB 4.35Å; V63-D232 HydrophobicContact CG1-CB 4.41Å; C230-D232 PolarHBondContact O-N 3.05Å; D232-Y234 PolarHBondContact O-N 3.15Å; D232-R235 PolarHBondContact O-N 2.97Å; D232-R235 IonicContact OD1-CZ 2.85Å; D232-R235 VanDerWaalsContact OD1-CZ 3.27Å; D232-R235 IonicContact OD1-NE 2.72Å; D232-R235 PolarHBondContact OD1-NE 3.48Å; D232-R235 VanDerWaalsContact OD1-NE 3.12Å; D232-R235 IonicContact OD1-NH2 3.47Å; D232-R235 PolarHBondContact OD1-NH2 3.38Å; D232-W236 WeakPolarHBondContact O-CB 3.46Å; D232-W236 PolarHBondContact O-N 3.2Å
233D98.2Very high95.4Very high0 Ų024.9 Ų24.90%014%0.135CC..Hα-helixtrans-62.1-44.8174.7-61.9-14000110.4S61 Y62 V63 L152 Y156 C230 W236 A237S61-D233 PolarHBondContact OG-OD1 3.3Å; Y62-D233 PolarHBondContact N-OD1 3.24Å; Y62-D233 PolarHBondContact N-OD2 3.37Å; V63-D233 WeakPolarHBondContact CG1-OD1 3.37Å; V63-D233 PolarHBondContact N-OD1 3.33Å; L152-D233 HydrophobicContact CD2-CB 3.94Å; L152-D233 WeakPolarHBondContact CD2-O 3.49Å; Y156-D233 HydrophobicContact CE1-CB 4.33Å; C230-D233 HydrophobicContact CB-CB 4.23Å; C230-D233 PolarHBondContact O-N 2.97Å; D233-W236 WeakPolarHBondContact O-CB 3.44Å; D233-W236 PolarHBondContact O-N 2.92Å; D233-A237 PolarHBondContact O-N 3.16Å
234Y98.6Very high96Very high0 Ų020 Ų200%011%0.106CC..Hα-helixtrans-63.6-44.2177.1-170.5-110.8000112.3L152 I204 Q207 Y208 F211 F229 C230 F231 D232 W236 A237 V238L152-Y234 HydrophobicContact CD1-CD2 3.78Å; I204-Y234 HydrophobicContact CG2-CD1 4.28Å; I204-Y234 HydrophobicContact CG2-CE1 4.02Å; Q207-Y234 HydrophobicContact CB-CE1 4.09Å; Q207-Y234 VanDerWaalsContact CB-OH 3.26Å; Q207-Y234 WeakPolarHBondContact CB-OH 3.13Å; Q207-Y234 PolarHBondContact OE1-OH 2.99Å; Q207-Y234 VanDerWaalsContact OE1-OH 3.06Å; Y208-Y234 HydrophobicContact CD2-CD1 4.21Å; Y208-Y234 HydrophobicContact CD2-CG 4.25Å; F211-Y234 HydrophobicContact CD2-CE2 4.23Å; F229-Y234 HydrophobicContact CE2-CD2 4.48Å; F229-Y234 AromaticContact CZ-CD2 3.7Å; F229-Y234 HydrophobicContact CZ-CD2 3.7Å; F229-Y234 HydrophobicContact CZ-CE2 4.46Å; F229-Y234 HydrophobicContact CZ-CG 4.07Å; C230-Y234 PolarHBondContact O-N 2.87Å; F231-Y234 PolarHBondContact O-N 3.1Å; D232-Y234 PolarHBondContact O-N 3.15Å; Y234-W236 VanDerWaalsContact C-N 3.31Å; Y234-W236 PolarHBondContact O-N 3.29Å; Y234-A237 PolarHBondContact O-N 2.95Å; Y234-V238 HydrophobicContact CD1-CG2 4.14Å; Y234-V238 HydrophobicContact CD2-CG2 4.45Å; Y234-V238 HydrophobicContact CE1-CG2 3.81Å; Y234-V238 HydrophobicContact CE2-CG2 4.13Å; Y234-V238 HydrophobicContact CG-CG2 4.45Å; Y234-V238 VanDerWaalsContact O-CG2 3.26Å; Y234-V238 WeakPolarHBondContact O-CG2 3.41Å; Y234-V238 PolarHBondContact O-N 3.26Å
235R98.4Very high96.4Very high46 Ų4620 Ų2017%0.17411%0.107CC..Hα-helixtrans-57.7-43.9174.6177.7177.569155.22.3111.6L178 Y179 F231 D232 S239L178-R235 HydrophobicContact CB-CG 4.07Å; L178-R235 HydrophobicContact CD1-CG 4.3Å; Y179-R235 HydrophobicContact CE2-CG 4.1Å; F231-R235 HydrophobicContact CD1-CB 4.44Å; F231-R235 HydrophobicContact CE1-CB 4.2Å; F231-R235 WeakPolarHBondContact O-CB 3.4Å; F231-R235 PolarHBondContact O-N 3.49Å; D232-R235 PolarHBondContact O-N 2.97Å; D232-R235 IonicContact OD1-CZ 2.85Å; D232-R235 VanDerWaalsContact OD1-CZ 3.27Å; D232-R235 IonicContact OD1-NE 2.72Å; D232-R235 PolarHBondContact OD1-NE 3.48Å; D232-R235 VanDerWaalsContact OD1-NE 3.12Å; D232-R235 IonicContact OD1-NH2 3.47Å; D232-R235 PolarHBondContact OD1-NH2 3.38Å; R235-S239 WeakPolarHBondContact O-CB 3.43Å; R235-S239 PolarHBondContact O-N 2.98Å; R235-S239 PolarHBondContact O-OG 2.64Å
236W98.4Very high96.9Very high0 Ų017.4 Ų17.40%09%0.088CC..Hα-helixtrans-59-53.4174.3170.485.4000111V63 L66 L151 L152 L155 I167 L170 P171 Y174 D232 D233 Y234 V238 S239 T240V63-W236 HydrophobicContact CB-CB 4.27Å; V63-W236 HydrophobicContact CB-CG 4.21Å; V63-W236 HydrophobicContact CG1-CB 4.48Å; V63-W236 HydrophobicContact CG2-CB 3.91Å; V63-W236 HydrophobicContact CG2-CD2 4.06Å; V63-W236 HydrophobicContact CG2-CG 3.51Å; L66-W236 HydrophobicContact CD1-CH2 4.32Å; L66-W236 HydrophobicContact CD1-CZ2 3.75Å; L151-W236 HydrophobicContact CD1-CH2 3.96Å; L151-W236 HydrophobicContact CD1-CZ3 4.36Å; L151-W236 HydrophobicContact CD2-CE3 4.43Å; L151-W236 HydrophobicContact CD2-CH2 3.73Å; L151-W236 HydrophobicContact CD2-CZ3 3.68Å; L151-W236 HydrophobicContact CG-CH2 3.74Å; L151-W236 HydrophobicContact CG-CZ3 3.66Å; L152-W236 HydrophobicContact CD2-CE3 4.45Å; L155-W236 HydrophobicContact CB-CZ3 4.37Å; L155-W236 HydrophobicContact CD2-CE3 3.98Å; L155-W236 HydrophobicContact CD2-CH2 4.45Å; L155-W236 HydrophobicContact CD2-CZ3 3.76Å; L155-W236 HydrophobicContact CG-CZ3 4.5Å; I167-W236 HydrophobicContact CG2-CH2 4.32Å; L170-W236 HydrophobicContact CB-CZ2 4.21Å; L170-W236 HydrophobicContact CD1-CH2 4.06Å; L170-W236 HydrophobicContact CD1-CZ2 3.73Å; P171-W236 PolarHBondContact O-NE1 2.94Å; Y174-W236 AromaticContact CE2-CD1 3.71Å; Y174-W236 AromaticContact CE2-NE1 3.85Å; D232-W236 WeakPolarHBondContact O-CB 3.46Å; D232-W236 PolarHBondContact O-N 3.2Å; D233-W236 WeakPolarHBondContact O-CB 3.44Å; D233-W236 PolarHBondContact O-N 2.92Å; Y234-W236 VanDerWaalsContact C-N 3.31Å; Y234-W236 PolarHBondContact O-N 3.29Å; W236-V238 VanDerWaalsContact C-N 3.34Å; W236-V238 PolarHBondContact O-N 2.73Å; W236-S239 PolarHBondContact O-N 2.82Å; W236-S239 VanDerWaalsContact O-N 3.07Å; W236-T240 PolarHBondContact O-N 2.57Å; W236-T240 PolarHBondContact O-OG1 2.94Å
237A98.6Very high97.3Very high0 Ų020 Ų200%09%0.093CC..Hα-helixtrans-60.3-42.7-177.700000112.7C148 L151 L152 D233 Y234 S239 T240 V241C148-A237 HydrophobicContact CB-CB 4.27Å; L151-A237 HydrophobicContact CD2-CB 4.24Å; L152-A237 HydrophobicContact CD1-CB 4.03Å; L152-A237 HydrophobicContact CD2-CB 3.74Å; L152-A237 HydrophobicContact CG-CB 3.61Å; D233-A237 PolarHBondContact O-N 3.16Å; Y234-A237 PolarHBondContact O-N 2.95Å; A237-S239 VanDerWaalsContact C-N 3.32Å; A237-S239 PolarHBondContact O-N 2.96Å; A237-T240 WeakPolarHBondContact O-CB 3.48Å; A237-T240 PolarHBondContact O-N 3.1Å; A237-V241 WeakPolarHBondContact O-CG2 3.38Å; A237-V241 PolarHBondContact O-N 3.31Å
238V98.6Very high97.4Very high15 Ų1518.8 Ų18.89%0.0919%0.088CC..Hα-helixtrans-63.6-38.9176.9177.60000111.2C148 L178 I204 Y234 W236 V241 M242C148-V238 HydrophobicContact CB-CG2 4.5Å; L178-V238 HydrophobicContact CD1-CB 4.17Å; L178-V238 HydrophobicContact CD1-CG1 3.86Å; I204-V238 HydrophobicContact CD1-CG1 3.76Å; I204-V238 HydrophobicContact CG1-CG1 4.16Å; Y234-V238 HydrophobicContact CD1-CG2 4.14Å; Y234-V238 HydrophobicContact CD2-CG2 4.45Å; Y234-V238 HydrophobicContact CE1-CG2 3.81Å; Y234-V238 HydrophobicContact CE2-CG2 4.13Å; Y234-V238 HydrophobicContact CG-CG2 4.45Å; Y234-V238 VanDerWaalsContact O-CG2 3.26Å; Y234-V238 WeakPolarHBondContact O-CG2 3.41Å; Y234-V238 PolarHBondContact O-N 3.26Å; W236-V238 VanDerWaalsContact C-N 3.34Å; W236-V238 PolarHBondContact O-N 2.73Å; V238-V241 PolarHBondContact O-N 3.43Å; V238-M242 HydrophobicContact CB-CE 4.5Å; V238-M242 HydrophobicContact CG1-CE 3.53Å; V238-M242 WeakPolarHBondContact O-CB 3.48Å; V238-M242 WeakPolarHBondContact O-CE 3.38Å; V238-M242 WeakPolarHBondContact O-CG 3.43Å; V238-M242 PolarHBondContact O-N 2.86Å
239S98.5Very high97.4Very high0 Ų021 Ų210%010%0.102CC..Hα-helixtrans-70.2-38.7176.7-590000112.9T176 L178 Y179 R235 W236 A237 M242 S243T176-S239 PolarHBondContact OG1-OG 2.84Å; L178-S239 WeakPolarHBondContact CD1-OG 3.26Å; Y179-S239 VanDerWaalsContact CE2-OG 3.31Å; Y179-S239 WeakPolarHBondContact CE2-OG 3.24Å; R235-S239 WeakPolarHBondContact O-CB 3.43Å; R235-S239 PolarHBondContact O-N 2.98Å; R235-S239 PolarHBondContact O-OG 2.64Å; W236-S239 PolarHBondContact O-N 2.82Å; W236-S239 VanDerWaalsContact O-N 3.07Å; A237-S239 VanDerWaalsContact C-N 3.32Å; A237-S239 PolarHBondContact O-N 2.96Å; S239-M242 WeakPolarHBondContact O-CG 3.46Å; S239-S243 VanDerWaalsContact O-CB 3.3Å; S239-S243 WeakPolarHBondContact O-CB 3.48Å; S239-S243 PolarHBondContact O-N 2.7Å; S239-S243 VanDerWaalsContact O-N 3.15Å; S239-S243 PolarHBondContact O-OG 2.77Å
240T98.4Very high97.1Very high0 Ų023.2 Ų23.20%011%0.113CC..Hα-helixtrans-58.2-52.7171-53.80000110.5L151 L170 Y174 W236 A237 S243 R244 L260L151-T240 HydrophobicContact CD2-CG2 3.65Å; L170-T240 HydrophobicContact CD1-CG2 3.87Å; L170-T240 HydrophobicContact CD2-CG2 4.07Å; Y174-T240 WeakPolarHBondContact CE2-OG1 3.44Å; Y174-T240 WeakPolarHBondContact OH-CA 3.36Å; Y174-T240 WeakPolarHBondContact OH-CB 3.35Å; Y174-T240 PolarHBondContact OH-OG1 3.44Å; W236-T240 PolarHBondContact O-N 2.57Å; W236-T240 PolarHBondContact O-OG1 2.94Å; A237-T240 WeakPolarHBondContact O-CB 3.48Å; A237-T240 PolarHBondContact O-N 3.1Å; T240-S243 PolarHBondContact O-N 3.42Å; T240-S243 PolarHBondContact O-OG 2.93Å; T240-R244 WeakPolarHBondContact O-CB 3.17Å; T240-R244 PolarHBondContact O-N 2.91Å; T240-L260 HydrophobicContact CG2-CD1 3.95Å
241V98.4Very high96.6Very high4 Ų428.9 Ų28.92%0.02414%0.142CC..Hα-helixtrans-65.4-45.1-176.6170.80000111.3N144 L147 A237 V238 S243 R244 S245 M258 L260N144-V241 HydrophobicContact CB-CG1 4.28Å; L147-V241 HydrophobicContact CB-CG2 4.34Å; L147-V241 HydrophobicContact CD2-CG1 4.12Å; L147-V241 HydrophobicContact CD2-CG2 4.15Å; L147-V241 HydrophobicContact CG-CG2 3.96Å; A237-V241 WeakPolarHBondContact O-CG2 3.38Å; A237-V241 PolarHBondContact O-N 3.31Å; V238-V241 PolarHBondContact O-N 3.43Å; V241-S243 VanDerWaalsContact C-N 3.29Å; V241-S243 PolarHBondContact O-N 3.31Å; V241-R244 PolarHBondContact O-N 3.08Å; V241-S245 WeakPolarHBondContact O-CA 3.41Å; V241-S245 WeakPolarHBondContact O-CB 3.42Å; V241-S245 PolarHBondContact O-N 2.86Å; V241-S245 PolarHBondContact O-OG 3.22Å; V241-M258 HydrophobicContact CG1-SD 4Å; V241-L260 HydrophobicContact CG2-CD2 4.46Å
242M96.9Very high96Very high29 Ų2931.9 Ų31.914%0.14316%0.158CC..Hα-helixtrans-66.2-32.1-179.272.5176.772.400113.2T176 F177 L178 V238 S239 F314T176-M242 HydrophobicContact CG2-CG 4.07Å; T176-M242 HydrophobicContact CG2-SD 3.7Å; F177-M242 HydrophobicContact CD1-SD 4.18Å; F177-M242 HydrophobicContact CE1-CE 3.72Å; F177-M242 HydrophobicContact CE1-SD 3.76Å; F177-M242 HydrophobicContact CZ-CE 4.16Å; L178-M242 HydrophobicContact CD1-CE 3.47Å; L178-M242 VanDerWaalsContact CD1-CE 3.47Å; L178-M242 HydrophobicContact CG-CE 4.16Å; V238-M242 HydrophobicContact CB-CE 4.5Å; V238-M242 HydrophobicContact CG1-CE 3.53Å; V238-M242 WeakPolarHBondContact O-CB 3.48Å; V238-M242 WeakPolarHBondContact O-CE 3.38Å; V238-M242 WeakPolarHBondContact O-CG 3.43Å; V238-M242 PolarHBondContact O-N 2.86Å; S239-M242 WeakPolarHBondContact O-CG 3.46Å; M242-F314 CarbonylContact C-O 3.53Å; M242-F314 HydrophobicContact CB-CB 4.45Å; M242-F314 HydrophobicContact CB-CD1 4.47Å; M242-F314 WeakPolarHBondContact CG-O 3.46Å; M242-F314 HydrophobicContact SD-CD1 4.05Å
243S97.3Very high95.2Very high20 Ų2034.1 Ų34.114%0.1419%0.186CC..Hα-helixtrans-85.9-22.4-176.563.50000113.8Y174 S239 T240 V241 F314Y174-S243 VanDerWaalsContact CE1-OG 3.32Å; Y174-S243 WeakPolarHBondContact CE1-OG 3.05Å; S239-S243 VanDerWaalsContact O-CB 3.3Å; S239-S243 WeakPolarHBondContact O-CB 3.48Å; S239-S243 PolarHBondContact O-N 2.7Å; S239-S243 VanDerWaalsContact O-N 3.15Å; S239-S243 PolarHBondContact O-OG 2.77Å; T240-S243 PolarHBondContact O-N 3.42Å; T240-S243 PolarHBondContact O-OG 2.93Å; V241-S243 VanDerWaalsContact C-N 3.29Å; V241-S243 PolarHBondContact O-N 3.31Å; S243-F314 VanDerWaalsContact CA-O 3.22Å; S243-F314 WeakPolarHBondContact CA-O 3.45Å; S243-F314 WeakPolarHBondContact CB-O 3.15Å; S243-F314 PolarHBondContact N-O 3.44Å
244R97.7Very high94.5Very high45 Ų4544.3 Ų44.317%0.1723%0.225CC..Hα-helixtrans-129.9-5.5-169.9-68.6170.9154648.5115.6T240 V241 N246 L260 D265T240-R244 WeakPolarHBondContact O-CB 3.17Å; T240-R244 PolarHBondContact O-N 2.91Å; V241-R244 PolarHBondContact O-N 3.08Å; R244-N246 PolarHBondContact O-ND2 3.36Å; R244-L260 HydrophobicContact CB-CD2 4.02Å; R244-D265 HydrophobicContact CB-CB 4.46Å; R244-D265 WeakPolarHBondContact CD-OD2 3.35Å; R244-D265 HydrophobicContact CG-CB 4.35Å; R244-D265 IonicContact NE-OD2 3.11Å; R244-D265 PolarHBondContact NE-OD2 3.47Å
245S96.9Very high94.2Very high22 Ų2248.6 Ų48.615%0.15425%0.248CC..  trans-73.2145.3-178.961.60000112.7V241 C259V241-S245 WeakPolarHBondContact O-CA 3.41Å; V241-S245 WeakPolarHBondContact O-CB 3.42Å; V241-S245 PolarHBondContact O-N 2.86Å; V241-S245 PolarHBondContact O-OG 3.22Å; S245-C259 CarbonylContact C-O 3.54Å; S245-C259 WeakPolarHBondContact CA-O 3.43Å
246N96.3Very high93.9Very high44 Ų4452.9 Ų52.924%0.23527%0.268CS..EExtended strand (participates in β ladder)trans-139.3171.3179.9-71.5-85.4000109.2R244 M258 C259 I261 W264R244-N246 PolarHBondContact O-ND2 3.36Å; N246-M258 CarbonylContact O-C 3.53Å; N246-M258 VanDerWaalsContact O-CA 3.31Å; N246-M258 WeakPolarHBondContact O-CA 3.4Å; N246-C259 PolarHBondContact N-O 3.32Å; N246-C259 PolarHBondContact O-N 3.39Å; N246-I261 HydrophobicContact CB-CD1 3.65Å; N246-I261 HydrophobicContact CB-CG1 4.49Å; N246-W264 WeakPolarHBondContact ND2-CZ3 3.45Å; N246-W264 VanDerWaalsContact OD1-CH2 3.3Å; N246-W264 WeakPolarHBondContact OD1-CH2 3.41Å
247Y95.5Very high93.7Very high134 Ų13453.6 Ų53.653%0.52527%0.271SS..EExtended strand (participates in β ladder)trans-114.1131.2175.1-70.9-79.5000110.5E143 K256 I257 M258E143-Y247 WeakPolarHBondContact OE2-CE1 3.38Å; Y247-K256 HydrophobicContact CD1-CB 3.85Å; Y247-K256 HydrophobicContact CG-CB 4.32Å; Y247-K256 HydrophobicContact CG-CD 4.42Å; Y247-I257 WeakPolarHBondContact CA-O 3.42Å; Y247-M258 HydrophobicContact CD1-CB 4.35Å; Y247-M258 HydrophobicContact CE1-CB 4.01Å; Y247-M258 HydrophobicContact CE1-CE 4.15Å; Y247-M258 HydrophobicContact CE2-CE 4.28Å; Y247-M258 WeakPolarHBondContact OH-CE 3.46Å
248I94.5Very high93.7Very high2 Ų254.5 Ų54.51%0.0128%0.276CS..EExtended strand (participates in β ladder)trans-113.5156.2163.965.1170.2000109.8R116 V119 H250 K256 I257 Y278 L285R116-I248 HydrophobicContact CG-CD1 4.31Å; R116-I248 VanDerWaalsContact NH1-CD1 3.32Å; V119-I248 HydrophobicContact CB-CD1 4.48Å; V119-I248 HydrophobicContact CG1-CD1 4.37Å; V119-I248 HydrophobicContact CG2-CD1 3.45Å; V119-I248 VanDerWaalsContact CG2-CD1 3.45Å; I248-H250 PolarHBondContact O-N 3.3Å; I248-K256 CarbonylContact O-C 3.54Å; I248-K256 WeakPolarHBondContact O-CA 3.24Å; I248-I257 HydrophobicContact CD1-CD1 4.01Å; I248-I257 HydrophobicContact CD1-CG1 4.2Å; I248-I257 HydrophobicContact CG1-CD1 3.85Å; I248-I257 HydrophobicContact CG1-CG1 3.47Å; I248-I257 VanDerWaalsContact CG1-CG1 3.47Å; I248-I257 PolarHBondContact N-O 2.8Å; I248-I257 VanDerWaalsContact N-O 3.08Å; I248-I257 PolarHBondContact O-N 2.97Å; I248-Y278 HydrophobicContact CB-CD2 3.86Å; I248-Y278 HydrophobicContact CB-CE2 4.04Å; I248-Y278 HydrophobicContact CD1-CE2 4.05Å; I248-Y278 HydrophobicContact CG2-CD2 3.8Å; I248-Y278 HydrophobicContact CG2-CE2 4.16Å; I248-L285 HydrophobicContact CG2-CD1 4.2Å
249P93.9Very high93.7Very high49 Ų4953.8 Ų53.832%0.31827%0.272SS..EExtended strand (participates in β ladder)trans-56.4139175.9-23.634.5000111.1R116 Y278R116-P249 VanDerWaalsContact CZ-O 3.23Å; R116-P249 PolarHBondContact NH1-O 2.91Å; R116-P249 PolarHBondContact NH2-O 3.33Å; P249-Y278 VanDerWaalsContact CD-CG 3.46Å; P249-Y278 HydrophobicContact CG-CD1 3.81Å; P249-Y278 HydrophobicContact CG-CG 4.02Å
250H91.3Very high93.7Very high55 Ų5553.8 Ų53.826%0.25527%0.272SS..  trans-72.3148.9168.8-167.8-51000109.4E123 I248 N252 G253 D255 I257E123-H250 IonicContact OE1-CD2 2.96Å; E123-H250 IonicContact OE1-CE1 3.4Å; E123-H250 IonicContact OE1-NE2 3.62Å; I248-H250 PolarHBondContact O-N 3.3Å; H250-N252 PolarHBondContact ND1-N 3.02Å; H250-N252 PolarHBondContact O-N 2.8Å; H250-G253 PolarHBondContact O-N 2.98Å; H250-D255 HydrophobicContact CB-CB 3.97Å; H250-D255 VanDerWaalsContact CB-O 3.26Å; H250-D255 WeakPolarHBondContact CB-O 3.4Å; H250-D255 PolarHBondContact N-O 3.19Å; H250-I257 HydrophobicContact CB-CG2 3.94Å; H250-I257 VanDerWaalsContact CD2-CG2 3.46Å; H250-I257 WeakPolarHBondContact CD2-CG2 3.48Å
251L86.1Confident93.6Very high120 Ų12053.9 Ų53.963%0.62827%0.272SS*.THydrogen-bonded Turntrans-57.1-15.5173.1-67.3176.4000114.8G253L251-G253 PolarHBondContact O-N 3.24Å
252N86Confident93.5Very high62 Ų6254.1 Ų54.133%0.33227%0.273SS..THydrogen-bonded Turntrans-80.2-4.417773.816.6000112.9H250 R254 D255H250-N252 PolarHBondContact ND1-N 3.02Å; H250-N252 PolarHBondContact O-N 2.8Å; N252-R254 PolarHBondContact O-N 3.02Å; N252-R254 PolarHBondContact OD1-N 2.95Å; N252-D255 PolarHBondContact ND2-OD2 3.27Å; N252-D255 PolarHBondContact OD1-N 3.08Å
253G81.5Confident93.3Very high69 Ų6953.6 Ų53.671%0.71127%0.272SS*.SBendtrans73.50.8176.500000115.9H250 L251H250-G253 PolarHBondContact O-N 2.98Å; L251-G253 PolarHBondContact O-N 3.24Å
254R83.6Confident93.3Very high214 Ų21453.2 Ų53.281%0.80827%0.267SS*.SBendtrans-119.2-39.3-175.4-67.2-175.7-70.3173.20.2112.9N252N252-R254 PolarHBondContact O-N 3.02Å; N252-R254 PolarHBondContact OD1-N 2.95Å
255D90.9Very high93.2Very high91 Ų9151.4 Ų51.449%0.48726%0.261SS..  trans-98.1173.6-176.2-57.2-42.1000111H250 N252H250-D255 HydrophobicContact CB-CB 3.97Å; H250-D255 VanDerWaalsContact CB-O 3.26Å; H250-D255 WeakPolarHBondContact CB-O 3.4Å; H250-D255 PolarHBondContact N-O 3.19Å; N252-D255 PolarHBondContact ND2-OD2 3.27Å; N252-D255 PolarHBondContact OD1-N 3.08Å
256K93.5Very high93.1Very high135 Ų13550.7 Ų50.759%0.58726%0.255SS*.EExtended strand (participates in β ladder)trans-117.4156.3170.3-63.4177.9-177.2179.90108Y247 I248Y247-K256 HydrophobicContact CD1-CB 3.85Å; Y247-K256 HydrophobicContact CG-CB 4.32Å; Y247-K256 HydrophobicContact CG-CD 4.42Å; I248-K256 CarbonylContact O-C 3.54Å; I248-K256 WeakPolarHBondContact O-CA 3.24Å
257I94.3Very high93.2Very high15 Ų1548.6 Ų48.68%0.07724%0.244CC..EExtended strand (participates in β ladder)trans-118.4134.117262.1176000109.4C121 E123 Y247 I248 H250C121-I257 HydrophobicContact CB-CD1 4.38Å; E123-I257 WeakPolarHBondContact OE2-CD1 3.38Å; Y247-I257 WeakPolarHBondContact CA-O 3.42Å; I248-I257 HydrophobicContact CD1-CD1 4.01Å; I248-I257 HydrophobicContact CD1-CG1 4.2Å; I248-I257 HydrophobicContact CG1-CD1 3.85Å; I248-I257 HydrophobicContact CG1-CG1 3.47Å; I248-I257 VanDerWaalsContact CG1-CG1 3.47Å; I248-I257 PolarHBondContact N-O 2.8Å; I248-I257 VanDerWaalsContact N-O 3.08Å; I248-I257 PolarHBondContact O-N 2.97Å; H250-I257 HydrophobicContact CB-CG2 3.94Å; H250-I257 VanDerWaalsContact CD2-CG2 3.46Å; H250-I257 WeakPolarHBondContact CD2-CG2 3.48Å
258M97.5Very high93.3Very high20 Ų2043.3 Ų43.310%0.09923%0.225CC..EExtended strand (participates in β ladder)trans-72.1132.3170.7-169.2178.5-80.100111E143 N144 L147 V241 N246 Y247E143-M258 HydrophobicContact CB-CB 4.13Å; E143-M258 PolarHBondContact OE2-N 2.96Å; N144-M258 VanDerWaalsContact CA-SD 3.53Å; N144-M258 HydrophobicContact CB-CE 4.06Å; N144-M258 HydrophobicContact CB-SD 3.72Å; L147-M258 HydrophobicContact CD2-CB 4.42Å; L147-M258 HydrophobicContact CD2-CG 3.74Å; L147-M258 HydrophobicContact CD2-SD 4.15Å; V241-M258 HydrophobicContact CG1-SD 4Å; N246-M258 CarbonylContact O-C 3.53Å; N246-M258 VanDerWaalsContact O-CA 3.31Å; N246-M258 WeakPolarHBondContact O-CA 3.4Å; Y247-M258 HydrophobicContact CD1-CB 4.35Å; Y247-M258 HydrophobicContact CE1-CB 4.01Å; Y247-M258 HydrophobicContact CE1-CE 4.15Å; Y247-M258 HydrophobicContact CE2-CE 4.28Å; Y247-M258 WeakPolarHBondContact OH-CE 3.46Å
259C98Very high93.4Very high0 Ų043.7 Ų43.70%023%0.227CC..EExtended strand (participates in β ladder)trans-145.9162.4-179.6650000112.5V119 F120 C121 S245 N246V119-C259 HydrophobicContact CB-CB 4.22Å; V119-C259 HydrophobicContact CG2-CB 4.08Å; F120-C259 CarbonylContact O-C 3.35Å; F120-C259 WeakPolarHBondContact O-CA 3.37Å; F120-C259 VanDerWaalsContact O-CB 3.32Å; F120-C259 WeakPolarHBondContact O-CB 3.36Å; C121-C259 HydrophobicContact CB-CB 3.8Å; S245-C259 CarbonylContact C-O 3.54Å; S245-C259 WeakPolarHBondContact CA-O 3.43Å; N246-C259 PolarHBondContact N-O 3.32Å; N246-C259 PolarHBondContact O-N 3.39Å
260L98.3Very high93.4Very high0 Ų045.4 Ų45.40%023%0.229CC..BIsolated β-bridgetrans-100146.2159.4-42.5173.7000108.5F120 L147 L151 Y166 T240 V241 R244 P262F120-L260 HydrophobicContact CB-CB 4.08Å; F120-L260 HydrophobicContact CD1-CB 4.46Å; F120-L260 HydrophobicContact CD1-CD1 3.83Å; F120-L260 HydrophobicContact CD1-CG 4.06Å; F120-L260 PolarHBondContact N-O 2.9Å; F120-L260 PolarHBondContact O-N 3.49Å; L147-L260 HydrophobicContact CD2-CD2 4.16Å; L147-L260 HydrophobicContact CD2-CG 4.24Å; L151-L260 HydrophobicContact CD1-CD1 4.42Å; L151-L260 HydrophobicContact CD2-CD1 4.33Å; Y166-L260 HydrophobicContact CE1-CB 4.22Å; Y166-L260 HydrophobicContact CE1-CD1 4.06Å; Y166-L260 WeakPolarHBondContact OH-CB 3.26Å; Y166-L260 WeakPolarHBondContact OH-CD1 3.48Å; T240-L260 HydrophobicContact CG2-CD1 3.95Å; V241-L260 HydrophobicContact CG2-CD2 4.46Å; R244-L260 HydrophobicContact CB-CD2 4.02Å; L260-P262 WeakPolarHBondContact O-CD 3.29Å
261I97.4Very high93.5Very high2 Ų244.8 Ų44.81%0.0123%0.231CC..  trans-120.794.2-174.4-54.4159000107.5L114 V119 N246 W264 D265 L285L114-I261 HydrophobicContact CD1-CG2 3.47Å; L114-I261 VanDerWaalsContact CD1-CG2 3.47Å; V119-I261 HydrophobicContact CG1-CG1 4.18Å; V119-I261 HydrophobicContact CG1-CG2 4.36Å; N246-I261 HydrophobicContact CB-CD1 3.65Å; N246-I261 HydrophobicContact CB-CG1 4.49Å; I261-W264 HydrophobicContact CB-CB 4.32Å; I261-W264 HydrophobicContact CB-CD2 4.38Å; I261-W264 HydrophobicContact CB-CE3 3.87Å; I261-W264 HydrophobicContact CD1-CD2 4.31Å; I261-W264 HydrophobicContact CD1-CE3 3.88Å; I261-W264 HydrophobicContact CD1-CH2 4.37Å; I261-W264 HydrophobicContact CD1-CZ3 3.97Å; I261-W264 HydrophobicContact CG1-CE3 4.47Å; I261-W264 HydrophobicContact CG2-CB 3.66Å; I261-W264 HydrophobicContact CG2-CD2 4.32Å; I261-W264 HydrophobicContact CG2-CE3 4.29Å; I261-W264 HydrophobicContact CG2-CG 4.11Å; I261-D265 WeakPolarHBondContact O-CB 3.48Å; I261-D265 PolarHBondContact O-N 3.25Å; I261-L285 HydrophobicContact CD1-CD1 3.43Å; I261-L285 VanDerWaalsContact CD1-CD1 3.43Å; I261-L285 HydrophobicContact CG1-CD1 4.25Å; I261-L285 HydrophobicContact CG2-CD1 4.32Å; I261-L285 HydrophobicContact CG2-CD2 4.13Å
262P96.2Very high93.8Very high8 Ų841.5 Ų41.55%0.05223%0.226CC..THydrogen-bonded Turntrans-54.9153.8-179-22.431.1000112.3F80 L114 A118 W163 Y166 L260 W264F80-P262 HydrophobicContact CE1-CB 3.81Å; F80-P262 HydrophobicContact CZ-CB 3.64Å; L114-P262 VanDerWaalsContact CD1-O 3.28Å; L114-P262 WeakPolarHBondContact CD1-O 3.5Å; A118-P262 WeakPolarHBondContact O-CD 3.33Å; W163-P262 HydrophobicContact CZ3-CG 3.99Å; Y166-P262 HydrophobicContact CD1-CG 3.98Å; Y166-P262 HydrophobicContact CD2-CB 3.51Å; Y166-P262 HydrophobicContact CD2-CG 3.75Å; Y166-P262 HydrophobicContact CE1-CG 4.18Å; Y166-P262 HydrophobicContact CE2-CB 3.83Å; Y166-P262 HydrophobicContact CE2-CG 3.95Å; Y166-P262 HydrophobicContact CG-CB 3.96Å; Y166-P262 HydrophobicContact CG-CG 3.76Å; L260-P262 WeakPolarHBondContact O-CD 3.29Å; P262-W264 PolarHBondContact O-N 3.07Å
263V93.1Very high94.1Very high18 Ų1843.1 Ų43.111%0.10923%0.231CC..THydrogen-bonded Turntrans71-55.3-176.4179.60000112F80 L81 Y86 I112 D265 M266F80-V263 HydrophobicContact CD1-CG2 4.22Å; F80-V263 HydrophobicContact CE1-CG2 3.72Å; F80-V263 HydrophobicContact CZ-CG2 4.43Å; L81-V263 HydrophobicContact CD2-CB 4.02Å; L81-V263 HydrophobicContact CD2-CG1 3.58Å; L81-V263 HydrophobicContact CD2-CG2 3.89Å; Y86-V263 HydrophobicContact CE2-CG1 3.93Å; Y86-V263 WeakPolarHBondContact OH-CG1 3.4Å; I112-V263 HydrophobicContact CD1-CG1 4.2Å; V263-D265 VanDerWaalsContact C-N 3.33Å; V263-D265 PolarHBondContact N-OD1 3Å; V263-D265 PolarHBondContact O-N 2.98Å; V263-M266 WeakPolarHBondContact O-CB 3.45Å; V263-M266 PolarHBondContact O-N 3.32Å
264W96Very high94.7Very high13 Ų1343.4 Ų43.45%0.04922%0.219CC..G310 helixtrans-64.2-37.3-179.1176.492.8000112.2I112 L114 N246 I261 P262 M266 M267 T276 L285 M301I112-W264 HydrophobicContact CD1-CB 4.43Å; I112-W264 HydrophobicContact CG2-CB 4.47Å; L114-W264 HydrophobicContact CD1-CB 4.14Å; N246-W264 WeakPolarHBondContact ND2-CZ3 3.45Å; N246-W264 VanDerWaalsContact OD1-CH2 3.3Å; N246-W264 WeakPolarHBondContact OD1-CH2 3.41Å; I261-W264 HydrophobicContact CB-CB 4.32Å; I261-W264 HydrophobicContact CB-CD2 4.38Å; I261-W264 HydrophobicContact CB-CE3 3.87Å; I261-W264 HydrophobicContact CD1-CD2 4.31Å; I261-W264 HydrophobicContact CD1-CE3 3.88Å; I261-W264 HydrophobicContact CD1-CH2 4.37Å; I261-W264 HydrophobicContact CD1-CZ3 3.97Å; I261-W264 HydrophobicContact CG1-CE3 4.47Å; I261-W264 HydrophobicContact CG2-CB 3.66Å; I261-W264 HydrophobicContact CG2-CD2 4.32Å; I261-W264 HydrophobicContact CG2-CE3 4.29Å; I261-W264 HydrophobicContact CG2-CG 4.11Å; P262-W264 PolarHBondContact O-N 3.07Å; W264-M266 PolarHBondContact O-N 2.98Å; W264-M267 HydrophobicContact CB-CE 4.35Å; W264-M267 HydrophobicContact CD2-CE 4.32Å; W264-M267 HydrophobicContact CG-CE 3.75Å; W264-M267 VanDerWaalsContact O-CE 3.31Å; W264-M267 WeakPolarHBondContact O-CE 3.21Å; W264-M267 PolarHBondContact O-N 2.76Å; W264-T276 HydrophobicContact CZ2-CG2 3.87Å; W264-T276 VanDerWaalsContact NE1-CG2 3.32Å; W264-T276 PolarHBondContact NE1-OG1 3.34Å; W264-L285 HydrophobicContact CG-CD2 4.23Å; W264-M301 HydrophobicContact CD2-SD 4.41Å; W264-M301 HydrophobicContact CH2-CE 3.4Å; W264-M301 VanDerWaalsContact CH2-CE 3.4Å; W264-M301 HydrophobicContact CH2-SD 4.03Å; W264-M301 HydrophobicContact CZ2-CE 3.12Å; W264-M301 HydrophobicContact CZ2-SD 3.78Å; W264-M301 HydrophobicContact CZ3-CE 4.31Å; W264-M301 HydrophobicContact CZ3-SD 4.41Å
265D96.5Very high95.3Very high7 Ų733.8 Ų33.84%0.03718%0.184CC..G310 helixtrans-71.53.317976.7-35.6000114.8Y166 R244 I261 V263Y166-D265 PolarHBondContact OH-OD2 3.44Å; R244-D265 HydrophobicContact CB-CB 4.46Å; R244-D265 WeakPolarHBondContact CD-OD2 3.35Å; R244-D265 HydrophobicContact CG-CB 4.35Å; R244-D265 IonicContact NE-OD2 3.11Å; R244-D265 PolarHBondContact NE-OD2 3.47Å; I261-D265 WeakPolarHBondContact O-CB 3.48Å; I261-D265 PolarHBondContact O-N 3.25Å; V263-D265 VanDerWaalsContact C-N 3.33Å; V263-D265 PolarHBondContact N-OD1 3Å; V263-D265 PolarHBondContact O-N 2.98Å
266M95.9Very high95.6Very high7 Ų730.5 Ų30.53%0.03417%0.167CC..G310 helixtrans-87.8-14171.5-66.9-60-53.400113.2L77 V88 F96 G97 L98 V263 W264L77-M266 HydrophobicContact CD1-CE 4.04Å; L77-M266 HydrophobicContact CD2-CE 3.57Å; L77-M266 HydrophobicContact CD2-CG 4.22Å; L77-M266 HydrophobicContact CD2-SD 3.6Å; L77-M266 HydrophobicContact CG-CE 4.48Å; V88-M266 HydrophobicContact CG2-CE 4.19Å; F96-M266 HydrophobicContact CB-CE 3.57Å; G97-M266 WeakPolarHBondContact CA-O 3Å; L98-M266 HydrophobicContact CD2-CB 3.85Å; L98-M266 HydrophobicContact CG-CB 4.08Å; V263-M266 WeakPolarHBondContact O-CB 3.45Å; V263-M266 PolarHBondContact O-N 3.32Å; W264-M266 PolarHBondContact O-N 2.98Å
267M97.2Very high95.7Very high0 Ų028.3 Ų28.30%016%0.159CC..SBendtrans-75.1132.8177.5-66.8179.5-69.200110.5L98 I112 W264 F287 I299 M301 Y303L98-M267 HydrophobicContact CB-CG 4.19Å; L98-M267 HydrophobicContact CD1-CG 3.53Å; L98-M267 HydrophobicContact CD1-SD 4.17Å; L98-M267 HydrophobicContact CG-CG 3.85Å; I112-M267 HydrophobicContact CD1-CE 3.93Å; I112-M267 HydrophobicContact CD1-SD 4.23Å; W264-M267 HydrophobicContact CB-CE 4.35Å; W264-M267 HydrophobicContact CD2-CE 4.32Å; W264-M267 HydrophobicContact CG-CE 3.75Å; W264-M267 VanDerWaalsContact O-CE 3.31Å; W264-M267 WeakPolarHBondContact O-CE 3.21Å; W264-M267 PolarHBondContact O-N 2.76Å; M267-F287 HydrophobicContact CE-CB 4.45Å; M267-F287 HydrophobicContact CE-CD1 3.85Å; M267-F287 HydrophobicContact CE-CD2 3.93Å; M267-F287 HydrophobicContact CE-CE1 4.01Å; M267-F287 HydrophobicContact CE-CE2 4.04Å; M267-F287 HydrophobicContact CE-CG 3.8Å; M267-F287 HydrophobicContact CE-CZ 4.08Å; M267-F287 HydrophobicContact SD-CD1 3.74Å; M267-F287 HydrophobicContact SD-CD2 4.4Å; M267-F287 HydrophobicContact SD-CE1 3.33Å; M267-F287 WeakPolarHBondContact SD-CE1 3.43Å; M267-F287 HydrophobicContact SD-CE2 4.03Å; M267-F287 HydrophobicContact SD-CG 4.25Å; M267-F287 HydrophobicContact SD-CZ 3.48Å; M267-F287 WeakPolarHBondContact SD-CZ 3.37Å; M267-I299 HydrophobicContact SD-CG2 4.03Å; M267-M301 HydrophobicContact CB-CB 4.36Å; M267-M301 HydrophobicContact CB-CG 3.72Å; M267-M301 HydrophobicContact CB-SD 3.94Å; M267-M301 HydrophobicContact CE-SD 4.02Å; M267-Y303 WeakPolarHBondContact O-CE1 3.48Å; M267-Y303 PolarHBondContact O-OH 2.84Å
268N97.2Very high95.7Very high23 Ų2329.3 Ų29.312%0.12316%0.162CC..EExtended strand (participates in β ladder)trans-83.2163.8178.7-72.3-53.3000112Y94 F96 G97 Q298 F300 M301Y94-N268 WeakPolarHBondContact CB-ND2 3.35Å; Y94-N268 HydrophobicContact CD1-CB 4.04Å; Y94-N268 HydrophobicContact CG-CB 4.38Å; F96-N268 PolarHBondContact O-ND2 3.22Å; G97-N268 WeakPolarHBondContact CA-ND2 3.43Å; N268-Q298 PolarHBondContact ND2-OE1 3.12Å; N268-F300 HydrophobicContact CB-CD1 4.08Å; N268-F300 HydrophobicContact CB-CE1 4.16Å; N268-F300 WeakPolarHBondContact O-CA 3.37Å; N268-M301 PolarHBondContact O-N 3.17Å
269H96.6Very high95.5Very high9 Ų932.4 Ų32.44%0.04217%0.174CC..EExtended strand (participates in β ladder)trans-77.5135.8-178.8-179.858.5000113.1M301 D302 Y303 F311 F317H269-M301 CarbonylContact C-O 3.51Å; H269-M301 VanDerWaalsContact CA-O 3.28Å; H269-M301 WeakPolarHBondContact CA-O 3.47Å; H269-D302 IonicContact CE1-OD1 3.02Å; H269-D302 PolarHBondContact CE1-OD1 3.32Å; H269-D302 IonicContact ND1-OD1 3.39Å; H269-Y303 HydrophobicContact CB-CD1 3.97Å; H269-Y303 HydrophobicContact CB-CD2 3.86Å; H269-Y303 HydrophobicContact CB-CE1 4.11Å; H269-Y303 HydrophobicContact CB-CE2 3.99Å; H269-Y303 HydrophobicContact CB-CG 3.85Å; H269-Y303 AromaticContact ND1-CG 3.82Å; H269-Y303 PolarHBondContact ND1-N 3.48Å; H269-Y303 VanDerWaalsContact ND1-N 3.13Å; H269-F311 AromaticContact CD2-CE1 3.89Å; H269-F311 AromaticContact CD2-CZ 3.72Å; H269-F311 AromaticContact CE1-CZ 3.69Å; H269-F311 AromaticContact CG-CE1 3.94Å; H269-F311 AromaticContact NE2-CZ 3.51Å; H269-F317 HydrophobicContact CB-CE2 4.05Å; H269-F317 HydrophobicContact CB-CZ 3.57Å
270K94.8Very high95.2Very high85 Ų8537 Ų3737%0.3720%0.204SC..  trans-139.3135.6157.1-178.4-179.8171.6-171.90108G272 M290 E291 F300 M301 D302K270-G272 PolarHBondContact O-N 2.84Å; K270-M290 HydrophobicContact CB-CE 4.28Å; K270-E291 IonicContact NZ-OE1 2.7Å; K270-E291 PolarHBondContact NZ-OE1 3.43Å; K270-E291 IonicContact NZ-OE2 3.54Å; K270-E291 PolarHBondContact NZ-OE2 3.48Å; K270-F300 HydrophobicContact CB-CB 3.56Å; K270-F300 HydrophobicContact CB-CD1 3.94Å; K270-F300 HydrophobicContact CB-CD2 4.43Å; K270-F300 HydrophobicContact CB-CG 3.74Å; K270-F300 HydrophobicContact CD-CB 4.38Å; K270-F300 HydrophobicContact CD-CD2 4.14Å; K270-F300 HydrophobicContact CD-CG 4.28Å; K270-M301 PolarHBondContact N-O 2.86Å; K270-D302 WeakPolarHBondContact O-CA 3.37Å
271S92.9Very high94.9Very high42 Ų4246 Ų4629%0.29425%0.245SC..SBendtrans-62.5133.6175.9-61.90000110.7V321S271-V321 PolarHBondContact OG-O 3.2Å; S271-V321 VanDerWaalsContact OG-O 3.05Å
272G92.1Very high94.7Very high51 Ų5149.5 Ų49.553%0.52627%0.267SS..SBendtrans-173.7-115.9-176.700000110.1K270 D302K270-G272 PolarHBondContact O-N 2.84Å; G272-D302 PolarHBondContact N-OD2 3.02Å
273H91.8Very high94.6Very high96 Ų9651.8 Ų51.844%0.44428%0.279SS..  trans-143.2152.7175.459.7-83.9000109.8T275 M290H273-T275 WeakPolarHBondContact CD2-CG2 3.38Å; H273-T275 WeakPolarHBondContact NE2-CG2 3.16Å; H273-T275 PolarHBondContact O-N 3.46Å; H273-M290 VanDerWaalsContact O-SD 3.4Å
274V94.3Very high94.7Very high75 Ų7552.9 Ų52.946%0.45528%0.283SS..  trans-72.7121.1-179.5177.40000109.9
275T96.9Very high94.8Very high13 Ų1352.7 Ų52.78%0.0828%0.282CS..  trans-118.713.1178.456.80000113.5H273 F287 C288 M290H273-T275 WeakPolarHBondContact CD2-CG2 3.38Å; H273-T275 WeakPolarHBondContact NE2-CG2 3.16Å; H273-T275 PolarHBondContact O-N 3.46Å; T275-F287 WeakPolarHBondContact OG1-CE2 3.33Å; T275-C288 WeakPolarHBondContact CB-O 3.48Å; T275-C288 PolarHBondContact O-N 3.28Å; T275-C288 PolarHBondContact OG1-O 3.48Å; T275-M290 HydrophobicContact CG2-CB 4.36Å; T275-M290 HydrophobicContact CG2-CG 3.87Å; T275-M290 WeakPolarHBondContact OG1-CG 3.36Å
276T96.8Very high94.8Very high21 Ų2152.7 Ų52.713%0.12928%0.282CS..EExtended strand (participates in β ladder)trans-102.1125.6171.8-53.90000109.2W264 L285 I286 F287W264-T276 HydrophobicContact CZ2-CG2 3.87Å; W264-T276 VanDerWaalsContact NE1-CG2 3.32Å; W264-T276 PolarHBondContact NE1-OG1 3.34Å; T276-L285 HydrophobicContact CG2-CD1 3.95Å; T276-L285 HydrophobicContact CG2-CD2 3.65Å; T276-L285 HydrophobicContact CG2-CG 3.75Å; T276-I286 WeakPolarHBondContact CA-O 3.23Å; T276-F287 VanDerWaalsContact OG1-CD2 3.32Å; T276-F287 WeakPolarHBondContact OG1-CD2 3.42Å
277H95.7Very high94.9Very high90 Ų9052.3 Ų52.342%0.41728%0.281SS..EExtended strand (participates in β ladder)trans-134.6150.2176.9-55.7-68.1000111.1Y279 I286H277-Y279 HydrophobicContact CB-CD2 4.32Å; H277-Y279 HydrophobicContact CB-CE2 3.66Å; H277-Y279 WeakPolarHBondContact O-CD2 3.16Å; H277-I286 PolarHBondContact N-O 2.83Å; H277-I286 PolarHBondContact O-N 2.8Å
278Y95.2Very high94.9Very high36 Ų3653.2 Ų53.214%0.14129%0.287CS..EExtended strand (participates in β ladder)trans-91.7129.4167.6-161.3-86.3000108.7R116 I248 P249 P280 D283 L285R116-Y278 WeakPolarHBondContact CB-OH 3.2Å; R116-Y278 PolarHBondContact NE-OH 3.27Å; R116-Y278 PolarHBondContact NH2-OH 3.31Å; I248-Y278 HydrophobicContact CB-CD2 3.86Å; I248-Y278 HydrophobicContact CB-CE2 4.04Å; I248-Y278 HydrophobicContact CD1-CE2 4.05Å; I248-Y278 HydrophobicContact CG2-CD2 3.8Å; I248-Y278 HydrophobicContact CG2-CE2 4.16Å; P249-Y278 VanDerWaalsContact CD-CG 3.46Å; P249-Y278 HydrophobicContact CG-CD1 3.81Å; P249-Y278 HydrophobicContact CG-CG 4.02Å; Y278-P280 HydrophobicContact CD1-CG 4.43Å; Y278-P280 WeakPolarHBondContact O-CD 3.34Å; Y278-D283 PolarHBondContact OH-O 3.36Å; Y278-D283 PolarHBondContact OH-OD1 2.85Å; Y278-L285 HydrophobicContact CD2-CB 4.14Å
279Y93.8Very high94.9Very high85 Ų8552.2 Ų52.233%0.33328%0.281SS..EExtended strand (participates in β ladder)trans-109.599.4-179.6-69.1-95.3000109.2H277 E281 V282 D283 E284 I286H277-Y279 HydrophobicContact CB-CD2 4.32Å; H277-Y279 HydrophobicContact CB-CE2 3.66Å; H277-Y279 WeakPolarHBondContact O-CD2 3.16Å; Y279-E281 PolarHBondContact O-N 3.01Å; Y279-V282 PolarHBondContact O-N 3.33Å; Y279-D283 PolarHBondContact O-N 3.22Å; Y279-E284 PolarHBondContact N-O 3.41Å; Y279-E284 PolarHBondContact O-N 3.39Å; Y279-I286 HydrophobicContact CD2-CB 3.79Å; Y279-I286 HydrophobicContact CD2-CD1 3.52Å; Y279-I286 HydrophobicContact CD2-CG1 3.63Å; Y279-I286 HydrophobicContact CE2-CB 3.62Å; Y279-I286 HydrophobicContact CE2-CD1 3.87Å; Y279-I286 HydrophobicContact CE2-CG1 3.97Å; Y279-I286 HydrophobicContact CE2-CG2 4.36Å; Y279-I286 HydrophobicContact CG-CD1 4.04Å
280P90.3Very high94.8Very high97 Ų9752.3 Ų52.363%0.6328%0.282SS*.THydrogen-bonded Turntrans-59.1-32.1-176.4-25.735.7000113.9Y278 V282 D283Y278-P280 HydrophobicContact CD1-CG 4.43Å; Y278-P280 WeakPolarHBondContact O-CD 3.34Å; P280-V282 PolarHBondContact O-N 2.91Å; P280-D283 PolarHBondContact O-N 2.95Å
281E91.9Very high94.9Very high187 Ų18751.3 Ų51.387%0.87428%0.279SS*.THydrogen-bonded Turntrans-58.8-34-178.9-56.9-67.7172.600113.2Y279Y279-E281 PolarHBondContact O-N 3.01Å
282V93.6Very high95.1Very high76 Ų7651 Ų5146%0.46128%0.278SS..THydrogen-bonded Turntrans-112.1-3.4179.3-660000112.6Y279 P280 E284Y279-V282 PolarHBondContact O-N 3.33Å; P280-V282 PolarHBondContact O-N 2.91Å; V282-E284 VanDerWaalsContact C-N 3.29Å; V282-E284 HydrophobicContact CB-CG 4.33Å; V282-E284 HydrophobicContact CG2-CB 3.9Å; V282-E284 HydrophobicContact CG2-CG 4.06Å; V282-E284 WeakPolarHBondContact O-CG 3.35Å; V282-E284 PolarHBondContact O-N 3.43Å
283D94.2Very high95.3Very high57 Ų5748.8 Ų48.831%0.30525%0.254SS..THydrogen-bonded Turntrans52.243.6-174.4-157.242.4000113.4R116 Y278 Y279 P280R116-D283 WeakPolarHBondContact CB-OD2 3.24Å; R116-D283 WeakPolarHBondContact CD-OD2 3.49Å; R116-D283 IonicContact CZ-OD1 3.36Å; R116-D283 PolarHBondContact N-O 3Å; R116-D283 IonicContact NE-OD1 2.97Å; R116-D283 PolarHBondContact NE-OD1 2.9Å; R116-D283 IonicContact NE-OD2 3.1Å; R116-D283 PolarHBondContact NE-OD2 3.39Å; R116-D283 IonicContact NH2-OD1 3.32Å; R116-D283 PolarHBondContact NH2-OD1 3.08Å; Y278-D283 PolarHBondContact OH-O 3.36Å; Y278-D283 PolarHBondContact OH-OD1 2.85Å; Y279-D283 PolarHBondContact O-N 3.22Å; P280-D283 PolarHBondContact O-N 2.95Å
284E96Very high95.5Very high41 Ų4150.5 Ų50.519%0.19226%0.26CS..EExtended strand (participates in β ladder)trans-125.1146.1-178.8-63-179.1164.700112.2R113 L114 Y279 V282 I286R113-E284 IonicContact CZ-OE2 3.27Å; R113-E284 VanDerWaalsContact CZ-OE2 3.32Å; R113-E284 IonicContact NE-OE2 2.65Å; R113-E284 PolarHBondContact NE-OE2 2.88Å; R113-E284 IonicContact NH2-OE2 2.78Å; R113-E284 PolarHBondContact NH2-OE2 3.19Å; L114-E284 CarbonylContact O-C 3.47Å; L114-E284 VanDerWaalsContact O-CA 3.29Å; L114-E284 WeakPolarHBondContact O-CA 3.2Å; Y279-E284 PolarHBondContact N-O 3.41Å; Y279-E284 PolarHBondContact O-N 3.39Å; V282-E284 VanDerWaalsContact C-N 3.29Å; V282-E284 HydrophobicContact CB-CG 4.33Å; V282-E284 HydrophobicContact CG2-CB 3.9Å; V282-E284 HydrophobicContact CG2-CG 4.06Å; V282-E284 WeakPolarHBondContact O-CG 3.35Å; V282-E284 PolarHBondContact O-N 3.43Å; E284-I286 HydrophobicContact CB-CG1 4.23Å
285L96.8Very high95.6Very high8 Ų850.1 Ų50.14%0.04226%0.26CS..EExtended strand (participates in β ladder)trans-87.7127.9159.5-178.2142.9000109R113 L114 I248 I261 W264 T276 Y278R113-L285 CarbonylContact C-O 3.59Å; R113-L285 WeakPolarHBondContact CA-O 3.08Å; L114-L285 PolarHBondContact N-O 3.24Å; L114-L285 PolarHBondContact O-N 2.85Å; I248-L285 HydrophobicContact CG2-CD1 4.2Å; I261-L285 HydrophobicContact CD1-CD1 3.43Å; I261-L285 VanDerWaalsContact CD1-CD1 3.43Å; I261-L285 HydrophobicContact CG1-CD1 4.25Å; I261-L285 HydrophobicContact CG2-CD1 4.32Å; I261-L285 HydrophobicContact CG2-CD2 4.13Å; W264-L285 HydrophobicContact CG-CD2 4.23Å; T276-L285 HydrophobicContact CG2-CD1 3.95Å; T276-L285 HydrophobicContact CG2-CD2 3.65Å; T276-L285 HydrophobicContact CG2-CG 3.75Å; Y278-L285 HydrophobicContact CD2-CB 4.14Å
286I97.2Very high95.5Very high7 Ų751.9 Ų51.94%0.03628%0.28CS..EExtended strand (participates in β ladder)trans-124.2131.9-179.4-53.5-179000108.8Q110 I112 R113 T276 H277 Y279 E284Q110-I286 HydrophobicContact CB-CG2 4.23Å; Q110-I286 HydrophobicContact CG-CG2 3.73Å; I112-I286 WeakPolarHBondContact O-CA 3.31Å; R113-I286 HydrophobicContact CG-CD1 4.46Å; R113-I286 HydrophobicContact CG-CG1 4.1Å; R113-I286 HydrophobicContact CG-CG2 4.14Å; T276-I286 WeakPolarHBondContact CA-O 3.23Å; H277-I286 PolarHBondContact N-O 2.83Å; H277-I286 PolarHBondContact O-N 2.8Å; Y279-I286 HydrophobicContact CD2-CB 3.79Å; Y279-I286 HydrophobicContact CD2-CD1 3.52Å; Y279-I286 HydrophobicContact CD2-CG1 3.63Å; Y279-I286 HydrophobicContact CE2-CB 3.62Å; Y279-I286 HydrophobicContact CE2-CD1 3.87Å; Y279-I286 HydrophobicContact CE2-CG1 3.97Å; Y279-I286 HydrophobicContact CE2-CG2 4.36Å; Y279-I286 HydrophobicContact CG-CD1 4.04Å; E284-I286 HydrophobicContact CB-CG1 4.23Å
287F97.3Very high95.5Very high0 Ų054 Ų540%029%0.291CS..EExtended strand (participates in β ladder)trans-110.5129.9170.5167.1-98.9000110.8I111 I112 M267 T275 T276 I299 M301I111-F287 HydrophobicContact CD1-CD1 4.07Å; I111-F287 HydrophobicContact CD1-CE1 3.79Å; I111-F287 HydrophobicContact CG1-CD1 3.67Å; I111-F287 HydrophobicContact CG1-CE1 3.87Å; I111-F287 PolarHBondContact N-O 3.42Å; I112-F287 HydrophobicContact CB-CB 4.21Å; I112-F287 HydrophobicContact CD1-CD1 4.43Å; I112-F287 PolarHBondContact O-N 3.17Å; M267-F287 HydrophobicContact CE-CB 4.45Å; M267-F287 HydrophobicContact CE-CD1 3.85Å; M267-F287 HydrophobicContact CE-CD2 3.93Å; M267-F287 HydrophobicContact CE-CE1 4.01Å; M267-F287 HydrophobicContact CE-CE2 4.04Å; M267-F287 HydrophobicContact CE-CG 3.8Å; M267-F287 HydrophobicContact CE-CZ 4.08Å; M267-F287 HydrophobicContact SD-CD1 3.74Å; M267-F287 HydrophobicContact SD-CD2 4.4Å; M267-F287 HydrophobicContact SD-CE1 3.33Å; M267-F287 WeakPolarHBondContact SD-CE1 3.43Å; M267-F287 HydrophobicContact SD-CE2 4.03Å; M267-F287 HydrophobicContact SD-CG 4.25Å; M267-F287 HydrophobicContact SD-CZ 3.48Å; M267-F287 WeakPolarHBondContact SD-CZ 3.37Å; T275-F287 WeakPolarHBondContact OG1-CE2 3.33Å; T276-F287 VanDerWaalsContact OG1-CD2 3.32Å; T276-F287 WeakPolarHBondContact OG1-CD2 3.42Å; F287-I299 HydrophobicContact CE1-CG2 4.05Å; F287-I299 HydrophobicContact CZ-CG2 4.25Å; F287-M301 HydrophobicContact CE2-CB 3.86Å; F287-M301 HydrophobicContact CZ-CB 4.4Å
288C97.1Very high95.5Very high19 Ų1950.6 Ų50.613%0.12828%0.275CS..EExtended strand (participates in β ladder)trans-105144169.8-57.90000110.2Q109 Q110 T275 M290Q109-C288 VanDerWaalsContact O-CA 3.32Å; Q109-C288 WeakPolarHBondContact O-CA 3.34Å; Q110-C288 VanDerWaalsContact CG-SG 3.58Å; T275-C288 WeakPolarHBondContact CB-O 3.48Å; T275-C288 PolarHBondContact O-N 3.28Å; T275-C288 PolarHBondContact OG1-O 3.48Å; C288-M290 PolarHBondContact O-N 3.5Å
289T97Very high95.6Very high1 Ų148.9 Ų48.91%0.00627%0.268CS..  trans-58.7132.6172.8470000111.6L105 Q106 G108 Q109 I111 E291 Y293L105-T289 HydrophobicContact CB-CG2 4.24Å; L105-T289 HydrophobicContact CD1-CG2 4.28Å; Q106-T289 PolarHBondContact O-OG1 2.9Å; G108-T289 PolarHBondContact N-O 3.25Å; G108-T289 PolarHBondContact N-OG1 2.92Å; Q109-T289 PolarHBondContact N-OG1 2.94Å; Q109-T289 PolarHBondContact O-N 3.12Å; Q109-T289 PolarHBondContact O-OG1 2.85Å; I111-T289 HydrophobicContact CD1-CG2 4.01Å; I111-T289 HydrophobicContact CG1-CG2 4.32Å; I111-T289 HydrophobicContact CG2-CG2 4.12Å; T289-E291 VanDerWaalsContact C-N 3.31Å; T289-E291 WeakPolarHBondContact CB-O 3.44Å; T289-Y293 HydrophobicContact CG2-CD2 3.85Å; T289-Y293 HydrophobicContact CG2-CE2 3.91Å
290M95.9Very high95.8Very high12 Ų1246 Ų466%0.05926%0.258CS..SBendtrans-73.8-22.5178.4-59-169.5-49.900114K270 H273 T275 C288 F300 D302K270-M290 HydrophobicContact CB-CE 4.28Å; H273-M290 VanDerWaalsContact O-SD 3.4Å; T275-M290 HydrophobicContact CG2-CB 4.36Å; T275-M290 HydrophobicContact CG2-CG 3.87Å; T275-M290 WeakPolarHBondContact OG1-CG 3.36Å; C288-M290 PolarHBondContact O-N 3.5Å; M290-F300 HydrophobicContact CE-CB 4.11Å; M290-D302 HydrophobicContact SD-CB 3.93Å; M290-D302 PolarHBondContact SD-N 2.95Å
291E95.9Very high96.1Very high64 Ų6441.7 Ų41.730%0.29923%0.229SC..SBendtrans-153.6176.7-177.563.7-167.1144.800107.8K270 T289 Y293K270-E291 IonicContact NZ-OE1 2.7Å; K270-E291 PolarHBondContact NZ-OE1 3.43Å; K270-E291 IonicContact NZ-OE2 3.54Å; K270-E291 PolarHBondContact NZ-OE2 3.48Å; T289-E291 VanDerWaalsContact C-N 3.31Å; T289-E291 WeakPolarHBondContact CB-O 3.44Å; E291-Y293 HydrophobicContact CG-CE1 3.89Å; E291-Y293 HydrophobicContact CG-CE2 4.04Å; E291-Y293 VanDerWaalsContact O-CD2 3.26Å; E291-Y293 WeakPolarHBondContact O-CD2 3.32Å; E291-Y293 VanDerWaalsContact O-CE2 3.25Å; E291-Y293 WeakPolarHBondContact O-CE2 3.38Å
292A96.8Very high96.2Very high35 Ų3533.3 Ų33.329%0.28919%0.19SC..  trans-81.7143.5175.200000112.2Y104 L105Y104-A292 HydrophobicContact CE1-CB 3.9Å; Y104-A292 HydrophobicContact CE2-CB 4.07Å; Y104-A292 VanDerWaalsContact CZ-CB 3.41Å; Y104-A292 WeakPolarHBondContact OH-CB 3.46Å; L105-A292 CarbonylContact O-C 3.6Å; L105-A292 WeakPolarHBondContact O-CA 3.42Å; L105-A292 WeakPolarHBondContact O-CB 3.41Å
293Y96.7Very high96.3Very high5 Ų532.3 Ų32.32%0.0218%0.179CC..BIsolated β-bridgetrans-127.4128.5-178.1-61.2-80.4000110.9Y104 L105 T289 E291 D297 Q298 I299 F300Y104-Y293 WeakPolarHBondContact CA-O 3.15Å; L105-Y293 PolarHBondContact N-O 3.13Å; L105-Y293 PolarHBondContact O-N 2.99Å; T289-Y293 HydrophobicContact CG2-CD2 3.85Å; T289-Y293 HydrophobicContact CG2-CE2 3.91Å; E291-Y293 HydrophobicContact CG-CE1 3.89Å; E291-Y293 HydrophobicContact CG-CE2 4.04Å; E291-Y293 VanDerWaalsContact O-CD2 3.26Å; E291-Y293 WeakPolarHBondContact O-CD2 3.32Å; E291-Y293 VanDerWaalsContact O-CE2 3.25Å; E291-Y293 WeakPolarHBondContact O-CE2 3.38Å; Y293-D297 HydrophobicContact CD1-CB 4.01Å; Y293-Q298 WeakPolarHBondContact CD1-O 3.23Å; Y293-Q298 WeakPolarHBondContact CE1-O 3.14Å; Y293-I299 HydrophobicContact CD1-CG1 4.49Å; Y293-I299 HydrophobicContact CD2-CG1 4.39Å; Y293-I299 HydrophobicContact CD2-CG2 4.49Å; Y293-I299 HydrophobicContact CE2-CG2 4.03Å; Y293-I299 HydrophobicContact CG-CG1 4.29Å; Y293-F300 HydrophobicContact CE1-CD2 4.46Å; Y293-F300 PolarHBondContact OH-N 3Å; Y293-F300 PolarHBondContact OH-O 3.35Å
294K96.8Very high96.3Very high131 Ų13130.3 Ų30.357%0.5717%0.172SC*.  trans-82.4157.3169.9-62.2173.1-174.9172.50109.9A100 Y104 G296 D297A100-K294 WeakPolarHBondContact CB-O 3.09Å; Y104-K294 HydrophobicContact CD2-CG 4Å; Y104-K294 HydrophobicContact CE2-CG 4.2Å; K294-G296 PolarHBondContact O-N 2.49Å; K294-D297 WeakPolarHBondContact CB-OD2 3.19Å; K294-D297 PolarHBondContact N-OD2 2.65Å; K294-D297 VanDerWaalsContact O-CB 3.25Å; K294-D297 WeakPolarHBondContact O-CB 3.26Å; K294-D297 PolarHBondContact O-N 3.1Å
295P95.3Very high96.1Very high68 Ų6834.6 Ų34.644%0.44220%0.196SC..THydrogen-bonded Turntrans-50.1129.5169.6-28.737000111.9
296G94.8Very high96.1Very high50 Ų5038 Ų3852%0.51521%0.208SC..THydrogen-bonded Turntrans90.1-12.6-174.500000115.4T99 A100 K294T99-G296 PolarHBondContact OG1-O 3.01Å; A100-G296 PolarHBondContact O-N 2.95Å; K294-G296 PolarHBondContact O-N 2.49Å
297D96.8Very high96Very high66 Ų6637.8 Ų37.835%0.35321%0.207SC..PPolyproline II helixtrans-72140.2174.1-67.7-16.8000110.4T99 A100 Y293 K294T99-D297 WeakPolarHBondContact CA-O 3.25Å; T99-D297 PolarHBondContact OG1-O 3.36Å; A100-D297 PolarHBondContact N-O 2.8Å; Y293-D297 HydrophobicContact CD1-CB 4.01Å; K294-D297 WeakPolarHBondContact CB-OD2 3.19Å; K294-D297 PolarHBondContact N-OD2 2.65Å; K294-D297 VanDerWaalsContact O-CB 3.25Å; K294-D297 WeakPolarHBondContact O-CB 3.26Å; K294-D297 PolarHBondContact O-N 3.1Å
298Q96.6Very high96.1Very high17 Ų1737.8 Ų37.88%0.07921%0.207CC..BIsolated β-bridgetrans-70.5131.1170.3-174.5169.8-172.400110F91 L98 N268 Y293 F300F91-Q298 HydrophobicContact CD1-CB 4.34Å; F91-Q298 HydrophobicContact CD2-CG 4.01Å; F91-Q298 HydrophobicContact CE1-CB 3.68Å; F91-Q298 HydrophobicContact CE1-CG 4.2Å; F91-Q298 HydrophobicContact CE2-CB 3.91Å; F91-Q298 VanDerWaalsContact CE2-CD 3.47Å; F91-Q298 HydrophobicContact CE2-CG 3.54Å; F91-Q298 VanDerWaalsContact CG-NE2 3.29Å; F91-Q298 HydrophobicContact CZ-CB 3.43Å; F91-Q298 VanDerWaalsContact CZ-CB 3.43Å; F91-Q298 HydrophobicContact CZ-CG 3.65Å; L98-Q298 WeakPolarHBondContact O-CA 3.27Å; N268-Q298 PolarHBondContact ND2-OE1 3.12Å; Y293-Q298 WeakPolarHBondContact CD1-O 3.23Å; Y293-Q298 WeakPolarHBondContact CE1-O 3.14Å; Q298-F300 HydrophobicContact CB-CD2 4.39Å; Q298-F300 HydrophobicContact CB-CE2 3.7Å; Q298-F300 HydrophobicContact CB-CZ 3.82Å; Q298-F300 VanDerWaalsContact CD-CZ 3.45Å; Q298-F300 HydrophobicContact CG-CD1 4.43Å; Q298-F300 HydrophobicContact CG-CD2 4.37Å; Q298-F300 HydrophobicContact CG-CE1 3.98Å; Q298-F300 HydrophobicContact CG-CE2 3.92Å; Q298-F300 HydrophobicContact CG-CZ 3.71Å; Q298-F300 VanDerWaalsContact O-CD2 3.25Å; Q298-F300 WeakPolarHBondContact O-CD2 3.34Å; Q298-F300 WeakPolarHBondContact O-CE2 3.15Å
299I97.1Very high96.1Very high0 Ų037.9 Ų37.90%021%0.207CC..PPolyproline II helixtrans-87.3120.4175.9-55.9172.4000108.1L98 A100 L105 I111 M267 F287 Y293L98-I299 HydrophobicContact CB-CB 4.26Å; L98-I299 HydrophobicContact CB-CD1 4.5Å; L98-I299 PolarHBondContact O-N 2.89Å; A100-I299 HydrophobicContact CB-CD1 4.39Å; A100-I299 HydrophobicContact CB-CG1 4.49Å; L105-I299 HydrophobicContact CD1-CD1 3.75Å; L105-I299 HydrophobicContact CD1-CG1 4.41Å; I111-I299 HydrophobicContact CD1-CD1 3.78Å; I111-I299 HydrophobicContact CD1-CG2 4.05Å; M267-I299 HydrophobicContact SD-CG2 4.03Å; F287-I299 HydrophobicContact CE1-CG2 4.05Å; F287-I299 HydrophobicContact CZ-CG2 4.25Å; Y293-I299 HydrophobicContact CD1-CG1 4.49Å; Y293-I299 HydrophobicContact CD2-CG1 4.39Å; Y293-I299 HydrophobicContact CD2-CG2 4.49Å; Y293-I299 HydrophobicContact CE2-CG2 4.03Å; Y293-I299 HydrophobicContact CG-CG1 4.29Å
300F97.3Very high96.1Very high25 Ų2539.8 Ų39.811%0.1122%0.217CC..EExtended strand (participates in β ladder)trans-107.9163.1179.4-63.9-84000112Y94 N268 K270 M290 Y293 Q298Y94-F300 HydrophobicContact CD1-CE1 4.24Å; Y94-F300 AromaticContact CE1-CE1 3.92Å; Y94-F300 HydrophobicContact CE1-CE1 3.92Å; Y94-F300 HydrophobicContact CE2-CE1 4.29Å; Y94-F300 HydrophobicContact CE2-CZ 4.27Å; Y94-F300 AromaticContact CZ-CE1 3.96Å; N268-F300 HydrophobicContact CB-CD1 4.08Å; N268-F300 HydrophobicContact CB-CE1 4.16Å; N268-F300 WeakPolarHBondContact O-CA 3.37Å; K270-F300 HydrophobicContact CB-CB 3.56Å; K270-F300 HydrophobicContact CB-CD1 3.94Å; K270-F300 HydrophobicContact CB-CD2 4.43Å; K270-F300 HydrophobicContact CB-CG 3.74Å; K270-F300 HydrophobicContact CD-CB 4.38Å; K270-F300 HydrophobicContact CD-CD2 4.14Å; K270-F300 HydrophobicContact CD-CG 4.28Å; M290-F300 HydrophobicContact CE-CB 4.11Å; Y293-F300 HydrophobicContact CE1-CD2 4.46Å; Y293-F300 PolarHBondContact OH-N 3Å; Y293-F300 PolarHBondContact OH-O 3.35Å; Q298-F300 HydrophobicContact CB-CD2 4.39Å; Q298-F300 HydrophobicContact CB-CE2 3.7Å; Q298-F300 HydrophobicContact CB-CZ 3.82Å; Q298-F300 VanDerWaalsContact CD-CZ 3.45Å; Q298-F300 HydrophobicContact CG-CD1 4.43Å; Q298-F300 HydrophobicContact CG-CD2 4.37Å; Q298-F300 HydrophobicContact CG-CE1 3.98Å; Q298-F300 HydrophobicContact CG-CE2 3.92Å; Q298-F300 HydrophobicContact CG-CZ 3.71Å; Q298-F300 VanDerWaalsContact O-CD2 3.25Å; Q298-F300 WeakPolarHBondContact O-CD2 3.34Å; Q298-F300 WeakPolarHBondContact O-CE2 3.15Å
301M96.6Very high96.2Very high6 Ų639.2 Ų39.23%0.0321%0.214CC..EExtended strand (participates in β ladder)trans-136.3159.9169.160.9169.2-66.100110.9W264 M267 N268 H269 K270 F287 Y303W264-M301 HydrophobicContact CD2-SD 4.41Å; W264-M301 HydrophobicContact CH2-CE 3.4Å; W264-M301 VanDerWaalsContact CH2-CE 3.4Å; W264-M301 HydrophobicContact CH2-SD 4.03Å; W264-M301 HydrophobicContact CZ2-CE 3.12Å; W264-M301 HydrophobicContact CZ2-SD 3.78Å; W264-M301 HydrophobicContact CZ3-CE 4.31Å; W264-M301 HydrophobicContact CZ3-SD 4.41Å; M267-M301 HydrophobicContact CB-CB 4.36Å; M267-M301 HydrophobicContact CB-CG 3.72Å; M267-M301 HydrophobicContact CB-SD 3.94Å; M267-M301 HydrophobicContact CE-SD 4.02Å; N268-M301 PolarHBondContact O-N 3.17Å; H269-M301 CarbonylContact C-O 3.51Å; H269-M301 VanDerWaalsContact CA-O 3.28Å; H269-M301 WeakPolarHBondContact CA-O 3.47Å; K270-M301 PolarHBondContact N-O 2.86Å; F287-M301 HydrophobicContact CE2-CB 3.86Å; F287-M301 HydrophobicContact CZ-CB 4.4Å; M301-Y303 HydrophobicContact CE-CD1 3.79Å; M301-Y303 HydrophobicContact CE-CE1 4.07Å; M301-Y303 HydrophobicContact CG-CD1 3.76Å; M301-Y303 HydrophobicContact CG-CE1 3.5Å; M301-Y303 VanDerWaalsContact CG-CE1 3.5Å; M301-Y303 HydrophobicContact SD-CD1 3.97Å; M301-Y303 HydrophobicContact SD-CE1 3.62Å
302D95.4Very high96.3Very high12 Ų1236.3 Ų36.36%0.06420%0.2CC..  trans-87.4126.9169.5-162.1-31000109.8H269 K270 G272 M290 G304H269-D302 IonicContact CE1-OD1 3.02Å; H269-D302 PolarHBondContact CE1-OD1 3.32Å; H269-D302 IonicContact ND1-OD1 3.39Å; K270-D302 WeakPolarHBondContact O-CA 3.37Å; G272-D302 PolarHBondContact N-OD2 3.02Å; M290-D302 HydrophobicContact SD-CB 3.93Å; M290-D302 PolarHBondContact SD-N 2.95Å; D302-G304 PolarHBondContact O-N 3.36Å; D302-G304 WeakPolarHBondContact OD1-CA 3.31Å; D302-G304 PolarHBondContact OD1-N 2.81Å
303Y95.8Very high96.3Very high55 Ų5534.7 Ų34.722%0.21619%0.187CC..  trans-84.51.2179.5-7612.8000112M267 H269 M301 F311 F317M267-Y303 WeakPolarHBondContact O-CE1 3.48Å; M267-Y303 PolarHBondContact O-OH 2.84Å; H269-Y303 HydrophobicContact CB-CD1 3.97Å; H269-Y303 HydrophobicContact CB-CD2 3.86Å; H269-Y303 HydrophobicContact CB-CE1 4.11Å; H269-Y303 HydrophobicContact CB-CE2 3.99Å; H269-Y303 HydrophobicContact CB-CG 3.85Å; H269-Y303 AromaticContact ND1-CG 3.82Å; H269-Y303 PolarHBondContact ND1-N 3.48Å; H269-Y303 VanDerWaalsContact ND1-N 3.13Å; M301-Y303 HydrophobicContact CE-CD1 3.79Å; M301-Y303 HydrophobicContact CE-CE1 4.07Å; M301-Y303 HydrophobicContact CG-CD1 3.76Å; M301-Y303 HydrophobicContact CG-CE1 3.5Å; M301-Y303 VanDerWaalsContact CG-CE1 3.5Å; M301-Y303 HydrophobicContact SD-CD1 3.97Å; M301-Y303 HydrophobicContact SD-CE1 3.62Å; Y303-F311 AromaticContact CD2-CE1 3.94Å; Y303-F311 HydrophobicContact CD2-CE1 3.94Å; Y303-F311 HydrophobicContact CG-CE1 4.28Å; Y303-F317 HydrophobicContact CD2-CZ 4.39Å; Y303-F317 HydrophobicContact CE2-CE1 4.24Å; Y303-F317 HydrophobicContact CE2-CZ 4.39Å
304G92.5Very high96.4Very high15 Ų1536.5 Ų36.516%0.15520%0.195CC..  trans96.9-175.2178.800000113.4D302 R306D302-G304 PolarHBondContact O-N 3.36Å; D302-G304 WeakPolarHBondContact OD1-CA 3.31Å; D302-G304 PolarHBondContact OD1-N 2.81Å; G304-R306 VanDerWaalsContact C-N 3.25Å; G304-R306 PolarHBondContact O-N 3.4Å
305N93.6Very high96.4Very high131 Ų13131.4 Ų31.470%0.70118%0.175SC*.SBendtrans-79.564.5-171.1-61.8-20.1000112.7N324N305-N324 HydrophobicContact CB-CB 4.29Å; N305-N324 PolarHBondContact OD1-ND2 2.88Å
306R95.2Very high96.4Very high78 Ų7828.5 Ų28.529%0.29416%0.158SC..  trans-98.5150.1177.1-57.1-177.1-173.2-137.81.5110.9G304 D310 F311 N322G304-R306 VanDerWaalsContact C-N 3.25Å; G304-R306 PolarHBondContact O-N 3.4Å; R306-D310 HydrophobicContact CB-CB 4.17Å; R306-F311 HydrophobicContact CB-CD2 3.95Å; R306-F311 HydrophobicContact CB-CE2 3.68Å; R306-F311 HydrophobicContact CB-CG 4.49Å; R306-F311 HydrophobicContact CB-CZ 3.98Å; R306-F311 WeakPolarHBondContact O-CE2 3.33Å; R306-N322 PolarHBondContact O-ND2 2.78Å; R306-N322 PolarHBondContact O-OD1 3.16Å
307S96.9Very high96.4Very high4 Ų428.6 Ų28.63%0.02814%0.144CC..  trans-84.7166.1172.742.80000112.4D309 D310 F311S307-D309 VanDerWaalsContact C-N 3.25Å; S307-D309 WeakPolarHBondContact CB-OD1 3.34Å; S307-D309 PolarHBondContact O-N 3.4Å; S307-D309 PolarHBondContact OG-OD1 3.27Å; S307-D310 PolarHBondContact O-N 2.82Å; S307-D310 VanDerWaalsContact O-N 3.13Å; S307-F311 WeakPolarHBondContact O-CD2 3.37Å; S307-F311 PolarHBondContact O-N 3.35Å
308N98Very high96.4Very high0 Ų026 Ų260%013%0.131CC..Hα-helixtrans-64.5-31.6-177.2-75.40.6000112.2D310 F311 F312 I318 N322 N325 L456 H459N308-D310 VanDerWaalsContact C-N 3.34Å; N308-F311 PolarHBondContact O-N 3.06Å; N308-F312 WeakPolarHBondContact O-CB 3.36Å; N308-F312 PolarHBondContact O-N 2.89Å; N308-I318 HydrophobicContact CB-CD1 4.2Å; N308-N322 WeakPolarHBondContact OD1-CB 3.46Å; N308-N322 PolarHBondContact OD1-ND2 3.1Å; N308-N325 VanDerWaalsContact CB-OD1 3.23Å; N308-N325 WeakPolarHBondContact CB-OD1 3.4Å; N308-N325 PolarHBondContact N-OD1 2.83Å; N308-N325 PolarHBondContact ND2-ND2 3.49Å; N308-L456 HydrophobicContact CB-CD1 4.02Å; N308-H459 PolarHBondContact ND2-CD2 2.96Å; N308-H459 VanDerWaalsContact ND2-CD2 3.3Å
309D97.3Very high96.3Very high21 Ų2125.7 Ų25.711%0.11213%0.13CC..Hα-helixtrans-64.1-38.3173.672.8-45.2000112I193 K196 S307 M313I193-D309 HydrophobicContact CD1-CB 3.53Å; I193-D309 HydrophobicContact CG1-CB 4.21Å; K196-D309 IonicContact NZ-OD2 3.72Å; K196-D309 PolarHBondContact NZ-OD2 3.16Å; S307-D309 VanDerWaalsContact C-N 3.25Å; S307-D309 WeakPolarHBondContact CB-OD1 3.34Å; S307-D309 PolarHBondContact O-N 3.4Å; S307-D309 PolarHBondContact OG-OD1 3.27Å; D309-M313 WeakPolarHBondContact O-CB 3.33Å; D309-M313 WeakPolarHBondContact O-CG 3.44Å; D309-M313 PolarHBondContact O-N 3.06Å
310D97.2Very high95.9Very high41 Ų4132.4 Ų32.422%0.21916%0.161CC..Hα-helixtrans-70.2-44.4176-77.1-17.1000111.9K196 R306 S307 N308 F312 F314K196-D310 IonicContact NZ-OD1 3.71Å; K196-D310 PolarHBondContact NZ-OD1 3.46Å; R306-D310 HydrophobicContact CB-CB 4.17Å; S307-D310 PolarHBondContact O-N 2.82Å; S307-D310 VanDerWaalsContact O-N 3.13Å; N308-D310 VanDerWaalsContact C-N 3.34Å; D310-F312 VanDerWaalsContact C-N 3.32Å; D310-F312 PolarHBondContact O-N 3.21Å; D310-F314 HydrophobicContact CB-CD2 4.17Å; D310-F314 HydrophobicContact CB-CE2 4.5Å; D310-F314 WeakPolarHBondContact O-CB 3.42Å; D310-F314 WeakPolarHBondContact O-CD2 3.08Å; D310-F314 PolarHBondContact O-N 3.3Å; D310-F314 WeakPolarHBondContact OD1-CE2 3.42Å
311F97.9Very high95.6Very high0 Ų035.7 Ų35.70%018%0.183CC..Iπ-helixtrans-60.2-43.8173.2-81.7-65.9000111.5H269 Y303 R306 S307 N308 S315 G316 F317 P319H269-F311 AromaticContact CD2-CE1 3.89Å; H269-F311 AromaticContact CD2-CZ 3.72Å; H269-F311 AromaticContact CE1-CZ 3.69Å; H269-F311 AromaticContact CG-CE1 3.94Å; H269-F311 AromaticContact NE2-CZ 3.51Å; Y303-F311 AromaticContact CD2-CE1 3.94Å; Y303-F311 HydrophobicContact CD2-CE1 3.94Å; Y303-F311 HydrophobicContact CG-CE1 4.28Å; R306-F311 HydrophobicContact CB-CD2 3.95Å; R306-F311 HydrophobicContact CB-CE2 3.68Å; R306-F311 HydrophobicContact CB-CG 4.49Å; R306-F311 HydrophobicContact CB-CZ 3.98Å; R306-F311 WeakPolarHBondContact O-CE2 3.33Å; S307-F311 WeakPolarHBondContact O-CD2 3.37Å; S307-F311 PolarHBondContact O-N 3.35Å; N308-F311 PolarHBondContact O-N 3.06Å; F311-S315 CarbonylContact O-C 3.46Å; F311-S315 VanDerWaalsContact O-CA 3.27Å; F311-S315 WeakPolarHBondContact O-CA 3.45Å; F311-S315 VanDerWaalsContact O-CB 3.25Å; F311-S315 WeakPolarHBondContact O-CB 3.46Å; F311-S315 PolarHBondContact O-N 3.48Å; F311-G316 PolarHBondContact O-N 2.85Å; F311-F317 CarbonylContact C-O 3.22Å; F311-F317 WeakPolarHBondContact CB-O 3.46Å; F311-F317 AromaticContact CD1-CE1 3.95Å; F311-F317 HydrophobicContact CD1-CE1 3.95Å; F311-F317 AromaticContact CD1-CE2 3.92Å; F311-F317 HydrophobicContact CD1-CE2 3.92Å; F311-F317 AromaticContact CD1-CZ 3.37Å; F311-F317 HydrophobicContact CD1-CZ 3.37Å; F311-F317 HydrophobicContact CE1-CE2 4.36Å; F311-F317 AromaticContact CE1-CZ 3.73Å; F311-F317 HydrophobicContact CE1-CZ 3.73Å; F311-F317 HydrophobicContact CG-CE2 4.38Å; F311-F317 HydrophobicContact CG-CZ 4.23Å; F311-F317 PolarHBondContact O-N 3.36Å; F311-P319 HydrophobicContact CB-CG 4.19Å; F311-P319 HydrophobicContact CD1-CG 4.33Å; F311-P319 HydrophobicContact CD2-CG 3.43Å; F311-P319 VanDerWaalsContact CD2-CG 3.43Å; F311-P319 HydrophobicContact CE2-CG 3.75Å; F311-P319 HydrophobicContact CG-CG 3.75Å; F311-P319 HydrophobicContact CZ-CG 4.34Å
312F97.7Very high95.5Very high3 Ų336.2 Ų36.21%0.01319%0.186CC..Iπ-helixtrans-60.8-55.7177.8179.1-111.8000111.8M180 L188 I193 I197 N308 D310 G316 F317 I318 N452 C453 L456M180-F312 HydrophobicContact CE-CE1 4.13Å; M180-F312 HydrophobicContact CE-CZ 3.64Å; M180-F312 HydrophobicContact SD-CE1 3.84Å; M180-F312 HydrophobicContact SD-CZ 3.64Å; L188-F312 HydrophobicContact CD1-CE1 3.79Å; L188-F312 HydrophobicContact CD1-CZ 4.12Å; I193-F312 HydrophobicContact CD1-CD1 3.77Å; I193-F312 HydrophobicContact CD1-CE1 4.42Å; I197-F312 HydrophobicContact CD1-CE1 4.13Å; N308-F312 WeakPolarHBondContact O-CB 3.36Å; N308-F312 PolarHBondContact O-N 2.89Å; D310-F312 VanDerWaalsContact C-N 3.32Å; D310-F312 PolarHBondContact O-N 3.21Å; F312-G316 VanDerWaalsContact O-CA 3.26Å; F312-G316 WeakPolarHBondContact O-CA 3.28Å; F312-G316 PolarHBondContact O-N 3.21Å; F312-G316 VanDerWaalsContact O-N 3.12Å; F312-F317 WeakPolarHBondContact CA-O 3.46Å; F312-F317 PolarHBondContact N-O 3.4Å; F312-I318 HydrophobicContact CB-CD1 3.64Å; F312-I318 HydrophobicContact CD2-CD1 4.04Å; F312-I318 HydrophobicContact CD2-CG1 4.34Å; F312-I318 HydrophobicContact CG-CD1 4.13Å; F312-N452 HydrophobicContact CD2-CB 3.88Å; F312-N452 HydrophobicContact CE2-CB 3.68Å; F312-C453 VanDerWaalsContact CZ-SG 3.6Å; F312-L456 HydrophobicContact CD1-CD2 3.9Å; F312-L456 HydrophobicContact CE1-CD2 4.37Å; F312-L456 HydrophobicContact CG-CD2 4.21Å
313M97.7Very high95.4Very high0 Ų042.8 Ų42.80%022%0.22CC..Iπ-helixtrans-66.3-51.4-175.2-74.7-173.263.200111.9T176 F177 I193 K196 I197 N200 D309T176-M313 WeakPolarHBondContact CA-O 3.4Å; T176-M313 WeakPolarHBondContact CB-O 3.32Å; F177-M313 HydrophobicContact CB-CB 4.38Å; F177-M313 HydrophobicContact CB-CE 4.39Å; F177-M313 HydrophobicContact CB-CG 4.37Å; F177-M313 HydrophobicContact CD1-CB 4.08Å; F177-M313 HydrophobicContact CD1-CE 3.91Å; F177-M313 WeakPolarHBondContact CD1-O 3.46Å; F177-M313 HydrophobicContact CE1-CE 4.37Å; F177-M313 HydrophobicContact CG-CE 4.01Å; F177-M313 PolarHBondContact N-O 3.15Å; I193-M313 HydrophobicContact CD1-CG 3.75Å; I193-M313 HydrophobicContact CD1-SD 3.94Å; I193-M313 HydrophobicContact CG1-CG 4.17Å; I193-M313 HydrophobicContact CG1-SD 3.71Å; K196-M313 HydrophobicContact CB-CE 4.39Å; K196-M313 HydrophobicContact CB-SD 4.04Å; K196-M313 HydrophobicContact CD-CE 4.38Å; K196-M313 HydrophobicContact CD-SD 3.54Å; K196-M313 VanDerWaalsContact CD-SD 3.54Å; K196-M313 HydrophobicContact CG-CE 3.86Å; K196-M313 HydrophobicContact CG-SD 3.61Å; I197-M313 HydrophobicContact CB-CE 4.49Å; I197-M313 HydrophobicContact CG1-CE 3.94Å; I197-M313 HydrophobicContact CG1-CG 4.1Å; I197-M313 HydrophobicContact CG1-SD 4Å; N200-M313 HydrophobicContact CB-CE 4.37Å; D309-M313 WeakPolarHBondContact O-CB 3.33Å; D309-M313 WeakPolarHBondContact O-CG 3.44Å; D309-M313 PolarHBondContact O-N 3.06Å
314F97.5Very high95.3Very high44 Ų4442.2 Ų42.219%0.19322%0.221CC..Iπ-helixtrans-98.2-17.6-164.7-53.5-59.6000113.4F177 M242 S243 D310F177-F314 HydrophobicContact CD1-CD1 4.32Å; F177-F314 HydrophobicContact CD1-CE1 4.37Å; F177-F314 HydrophobicContact CE1-CD1 4.04Å; F177-F314 AromaticContact CE1-CE1 3.95Å; F177-F314 HydrophobicContact CE1-CE1 3.95Å; M242-F314 CarbonylContact C-O 3.53Å; M242-F314 HydrophobicContact CB-CB 4.45Å; M242-F314 HydrophobicContact CB-CD1 4.47Å; M242-F314 WeakPolarHBondContact CG-O 3.46Å; M242-F314 HydrophobicContact SD-CD1 4.05Å; S243-F314 VanDerWaalsContact CA-O 3.22Å; S243-F314 WeakPolarHBondContact CA-O 3.45Å; S243-F314 WeakPolarHBondContact CB-O 3.15Å; S243-F314 PolarHBondContact N-O 3.44Å; D310-F314 HydrophobicContact CB-CD2 4.17Å; D310-F314 HydrophobicContact CB-CE2 4.5Å; D310-F314 WeakPolarHBondContact O-CB 3.42Å; D310-F314 WeakPolarHBondContact O-CD2 3.08Å; D310-F314 PolarHBondContact O-N 3.3Å; D310-F314 WeakPolarHBondContact OD1-CE2 3.42Å
315S96.5Very high95.5Very high23 Ų2342.3 Ų42.316%0.16122%0.218CC..Iπ-helixtrans-117.9-16.1177.7-51.70000113.6F311 F317F311-S315 CarbonylContact O-C 3.46Å; F311-S315 VanDerWaalsContact O-CA 3.27Å; F311-S315 WeakPolarHBondContact O-CA 3.45Å; F311-S315 VanDerWaalsContact O-CB 3.25Å; F311-S315 WeakPolarHBondContact O-CB 3.46Å; F311-S315 PolarHBondContact O-N 3.48Å; S315-F317 VanDerWaalsContact CB-CE1 3.42Å
316G95.4Very high95.7Very high7 Ų738.4 Ų38.47%0.07219%0.194CC..SBendtrans81.522.717300000115.4S175 F311 F312 N452S175-G316 WeakPolarHBondContact CB-O 3.41Å; S175-G316 WeakPolarHBondContact O-CA 3.09Å; F311-G316 PolarHBondContact O-N 2.85Å; F312-G316 VanDerWaalsContact O-CA 3.26Å; F312-G316 WeakPolarHBondContact O-CA 3.28Å; F312-G316 PolarHBondContact O-N 3.21Å; F312-G316 VanDerWaalsContact O-N 3.12Å; G316-N452 PolarHBondContact O-ND2 2.76Å
317F96Very high95.9Very high53 Ų5334.9 Ų34.923%0.23218%0.182CC..  trans-148.9162.6178.272.1-88.7000112.2H269 Y303 F311 F312 S315 P319H269-F317 HydrophobicContact CB-CE2 4.05Å; H269-F317 HydrophobicContact CB-CZ 3.57Å; Y303-F317 HydrophobicContact CD2-CZ 4.39Å; Y303-F317 HydrophobicContact CE2-CE1 4.24Å; Y303-F317 HydrophobicContact CE2-CZ 4.39Å; F311-F317 CarbonylContact C-O 3.22Å; F311-F317 WeakPolarHBondContact CB-O 3.46Å; F311-F317 AromaticContact CD1-CE1 3.95Å; F311-F317 HydrophobicContact CD1-CE1 3.95Å; F311-F317 AromaticContact CD1-CE2 3.92Å; F311-F317 HydrophobicContact CD1-CE2 3.92Å; F311-F317 AromaticContact CD1-CZ 3.37Å; F311-F317 HydrophobicContact CD1-CZ 3.37Å; F311-F317 HydrophobicContact CE1-CE2 4.36Å; F311-F317 AromaticContact CE1-CZ 3.73Å; F311-F317 HydrophobicContact CE1-CZ 3.73Å; F311-F317 HydrophobicContact CG-CE2 4.38Å; F311-F317 HydrophobicContact CG-CZ 4.23Å; F311-F317 PolarHBondContact O-N 3.36Å; F312-F317 WeakPolarHBondContact CA-O 3.46Å; F312-F317 PolarHBondContact N-O 3.4Å; S315-F317 VanDerWaalsContact CB-CE1 3.42Å; F317-P319 HydrophobicContact CD2-CG 4.36Å; F317-P319 HydrophobicContact CE2-CB 4.4Å; F317-P319 HydrophobicContact CE2-CG 3.82Å
318I96.1Very high95.9Very high12 Ų1236.7 Ų36.76%0.06219%0.192CC..  trans-109.3120170.3-59.2-68.7000109.3N308 F312 N452 L455 L456N308-I318 HydrophobicContact CB-CD1 4.2Å; F312-I318 HydrophobicContact CB-CD1 3.64Å; F312-I318 HydrophobicContact CD2-CD1 4.04Å; F312-I318 HydrophobicContact CD2-CG1 4.34Å; F312-I318 HydrophobicContact CG-CD1 4.13Å; I318-N452 HydrophobicContact CG1-CB 4.07Å; I318-N452 WeakPolarHBondContact CG1-O 3.31Å; I318-N452 PolarHBondContact N-OD1 2.92Å; I318-L455 HydrophobicContact CB-CB 4.18Å; I318-L455 HydrophobicContact CB-CD1 4.18Å; I318-L455 HydrophobicContact CG1-CB 4.09Å; I318-L455 HydrophobicContact CG2-CB 4.08Å; I318-L456 HydrophobicContact CD1-CB 3.89Å; I318-L456 HydrophobicContact CD1-CD1 4.05Å; I318-L456 HydrophobicContact CD1-CG 4.47Å
319P94.8Very high95.8Very high9 Ų937 Ų376%0.05819%0.194CC..  trans-63139.6171.4-12.722.8000110.9F311 F317 V321 N322F311-P319 HydrophobicContact CB-CG 4.19Å; F311-P319 HydrophobicContact CD1-CG 4.33Å; F311-P319 HydrophobicContact CD2-CG 3.43Å; F311-P319 VanDerWaalsContact CD2-CG 3.43Å; F311-P319 HydrophobicContact CE2-CG 3.75Å; F311-P319 HydrophobicContact CG-CG 3.75Å; F311-P319 HydrophobicContact CZ-CG 4.34Å; F317-P319 HydrophobicContact CD2-CG 4.36Å; F317-P319 HydrophobicContact CE2-CB 4.4Å; F317-P319 HydrophobicContact CE2-CG 3.82Å; P319-V321 VanDerWaalsContact C-N 3.3Å; P319-V321 PolarHBondContact O-N 3.4Å; P319-N322 HydrophobicContact CB-CB 4.26Å; P319-N322 HydrophobicContact CG-CB 4.36Å
320Q89Confident95.7Very high142 Ų14239.7 Ų39.766%0.66421%0.211SC*.SBendtrans-63.1-37.2179.1-176.5173.9-300112.7
321V91.1Very high95.7Very high93 Ų9337.8 Ų37.856%0.56420%0.201SC*.  trans-130.6130.2173-179.60000106.8S271 P319S271-V321 PolarHBondContact OG-O 3.2Å; S271-V321 VanDerWaalsContact OG-O 3.05Å; P319-V321 VanDerWaalsContact C-N 3.3Å; P319-V321 PolarHBondContact O-N 3.4Å
322N95.1Very high95.6Very high18 Ų1839.5 Ų39.510%0.09622%0.218CC..  trans-143.3104.1174.8-178.44.5000110.2R306 N308 P319 N324 N325R306-N322 PolarHBondContact O-ND2 2.78Å; R306-N322 PolarHBondContact O-OD1 3.16Å; N308-N322 WeakPolarHBondContact OD1-CB 3.46Å; N308-N322 PolarHBondContact OD1-ND2 3.1Å; P319-N322 HydrophobicContact CB-CB 4.26Å; P319-N322 HydrophobicContact CG-CB 4.36Å; N322-N324 PolarHBondContact O-N 3.02Å; N322-N324 WeakPolarHBondContact OD1-CA 3.29Å; N322-N324 WeakPolarHBondContact OD1-CB 3.33Å; N322-N324 PolarHBondContact OD1-N 3.41Å; N322-N325 HydrophobicContact CB-CB 4.18Å; N322-N325 VanDerWaalsContact O-CB 3.32Å; N322-N325 WeakPolarHBondContact O-CB 3.41Å; N322-N325 PolarHBondContact O-N 3.3Å; N322-N325 VanDerWaalsContact O-N 3.17Å; N322-N325 PolarHBondContact OD1-N 3.19Å
323L92.1Very high95.5Very high150 Ų15040 Ų4079%0.78522%0.221SC*.THydrogen-bonded Turntrans-67.1-20.4178.4-58.8178.9000112.6
324N94.4Very high95.4Very high42 Ų4243 Ų4323%0.22524%0.242CC..THydrogen-bonded Turntrans-92.74.2178.6-65.7-69.4000112.8N305 N322 R361N305-N324 HydrophobicContact CB-CB 4.29Å; N305-N324 PolarHBondContact OD1-ND2 2.88Å; N322-N324 PolarHBondContact O-N 3.02Å; N322-N324 WeakPolarHBondContact OD1-CA 3.29Å; N322-N324 WeakPolarHBondContact OD1-CB 3.33Å; N322-N324 PolarHBondContact OD1-N 3.41Å; N324-R361 PolarHBondContact O-NH1 2.95Å
325N97.1Very high95.1Very high17 Ų1746.5 Ų46.59%0.09127%0.272CS..  trans-60.9148.3177.8-165.529.2000112.2N308 N322 R361N308-N325 VanDerWaalsContact CB-OD1 3.23Å; N308-N325 WeakPolarHBondContact CB-OD1 3.4Å; N308-N325 PolarHBondContact N-OD1 2.83Å; N308-N325 PolarHBondContact ND2-ND2 3.49Å; N322-N325 HydrophobicContact CB-CB 4.18Å; N322-N325 VanDerWaalsContact O-CB 3.32Å; N322-N325 WeakPolarHBondContact O-CB 3.41Å; N322-N325 PolarHBondContact O-N 3.3Å; N322-N325 VanDerWaalsContact O-N 3.17Å; N322-N325 PolarHBondContact OD1-N 3.19Å; N325-R361 PolarHBondContact O-NH1 3.07Å; N325-R361 VanDerWaalsContact O-NH1 3.1Å
326K97.5Very high95.1Very high49 Ų4950.4 Ų50.421%0.21330%0.299CS..  trans-154.4160.8177.168.5-179.1-177.9142.40110.6D359 L360 R361K326-D359 HydrophobicContact CD-CB 3.93Å; K326-D359 WeakPolarHBondContact CD-OD2 3.35Å; K326-D359 IonicContact NZ-OD1 2.66Å; K326-D359 PolarHBondContact NZ-OD1 3.4Å; K326-D359 VanDerWaalsContact NZ-OD1 3.1Å; K326-D359 IonicContact NZ-OD2 3.14Å; K326-D359 PolarHBondContact NZ-OD2 2.88Å; K326-L360 CarbonylContact C-O 3.6Å; K326-L360 WeakPolarHBondContact CA-O 3.47Å; K326-L360 WeakPolarHBondContact CB-O 3.5Å; K326-R361 HydrophobicContact CB-CG 4.05Å
327L98Very high95.1Very high5 Ų551.7 Ų51.73%0.02630%0.304CS..EExtended strand (participates in β ladder)trans-124119.3168.1172.862.4000109P192 I329 L360 E460 I463 L464P192-L327 HydrophobicContact CG-CD1 3.61Å; L327-I329 HydrophobicContact CD2-CG2 4.22Å; L327-I329 HydrophobicContact CG-CG2 4.12Å; L327-L360 PolarHBondContact N-O 3.26Å; L327-L360 PolarHBondContact O-N 3.46Å; L327-E460 HydrophobicContact CD1-CB 4.3Å; L327-E460 HydrophobicContact CD1-CG 3.95Å; L327-E460 HydrophobicContact CD2-CB 4.17Å; L327-I463 HydrophobicContact CB-CB 4.49Å; L327-I463 HydrophobicContact CB-CD1 4.16Å; L327-I463 HydrophobicContact CB-CG2 4.01Å; L327-L464 HydrophobicContact CD2-CD1 3.91Å; L327-L464 HydrophobicContact CD2-CD2 3.59Å; L327-L464 HydrophobicContact CD2-CG 3.57Å
328T97.2Very high95.1Very high41 Ų4154.8 Ų54.825%0.25233%0.333SS..EExtended strand (participates in β ladder)trans-82.8118173.5-50.70000110.1K357 C358 D359T328-K357 HydrophobicContact CG2-CB 3.91Å; T328-K357 HydrophobicContact CG2-CG 4.48Å; T328-C358 CarbonylContact C-O 3.53Å; T328-C358 WeakPolarHBondContact CA-O 3.26Å; T328-D359 WeakPolarHBondContact CB-OD1 3.49Å; T328-D359 PolarHBondContact OG1-OD1 3.47Å
329I96.5Very high95.2Very high8 Ų855.6 Ų55.64%0.04134%0.337CS..EExtended strand (participates in β ladder)trans-102.8152.4171.868.6165.7000110.5L327 L331 K357 C358 L360 F370 L425 L428 L464L327-I329 HydrophobicContact CD2-CG2 4.22Å; L327-I329 HydrophobicContact CG-CG2 4.12Å; I329-L331 HydrophobicContact CD1-CD1 4.47Å; I329-L331 HydrophobicContact CD1-CD2 4.21Å; I329-L331 HydrophobicContact CD1-CG 4.37Å; I329-K357 WeakPolarHBondContact O-CA 3.41Å; I329-C358 WeakPolarHBondContact CG1-SG 3.4Å; I329-C358 PolarHBondContact N-O 2.92Å; I329-C358 PolarHBondContact O-N 2.79Å; I329-L360 HydrophobicContact CD1-CD1 3.82Å; I329-L360 HydrophobicContact CD1-CG 4.36Å; I329-L360 HydrophobicContact CG1-CD1 4.18Å; I329-L360 HydrophobicContact CG1-CG 4.3Å; I329-L360 HydrophobicContact CG2-CD1 4.09Å; I329-F370 HydrophobicContact CD1-CD1 4.38Å; I329-F370 HydrophobicContact CD1-CE1 4.27Å; I329-F370 HydrophobicContact CD1-CZ 4.34Å; I329-L425 HydrophobicContact CD1-CD2 4.25Å; I329-L428 HydrophobicContact CB-CD1 4.17Å; I329-L428 HydrophobicContact CG2-CD1 3.68Å; I329-L464 HydrophobicContact CG2-CD2 4.34Å
330T95.6Very high95.3Very high77 Ų7755.6 Ų55.647%0.47234%0.338SS..EExtended strand (participates in β ladder)trans-112.4127.8177.7-58.50000111.1P355 L356T330-P355 HydrophobicContact CG2-CB 3.71Å; T330-L356 CarbonylContact C-O 3.54Å; T330-L356 WeakPolarHBondContact CA-O 3.17Å
331L96.8Very high95.6Very high1 Ų155.6 Ų55.61%0.00534%0.342CS..EExtended strand (participates in β ladder)trans-117129.5-179.7-59.1170.8000109.8I329 P355 L356 F370 F373 R424I329-L331 HydrophobicContact CD1-CD1 4.47Å; I329-L331 HydrophobicContact CD1-CD2 4.21Å; I329-L331 HydrophobicContact CD1-CG 4.37Å; L331-P355 CarbonylContact O-C 3.59Å; L331-P355 WeakPolarHBondContact O-CA 3.46Å; L331-L356 HydrophobicContact CB-CB 4.32Å; L331-L356 HydrophobicContact CD1-CD2 4.32Å; L331-L356 PolarHBondContact N-O 3.38Å; L331-L356 PolarHBondContact O-N 3.33Å; L331-F370 HydrophobicContact CD1-CD2 3.31Å; L331-F370 HydrophobicContact CD1-CE2 3.71Å; L331-F370 HydrophobicContact CD1-CG 4.18Å; L331-F370 HydrophobicContact CD2-CD2 4.4Å; L331-F370 HydrophobicContact CD2-CE2 3.93Å; L331-F370 HydrophobicContact CG-CD2 4.47Å; L331-F370 HydrophobicContact CG-CE2 4.48Å; L331-F373 HydrophobicContact CB-CD1 4.07Å; L331-F373 HydrophobicContact CB-CD2 4.25Å; L331-F373 HydrophobicContact CB-CE1 3.85Å; L331-F373 HydrophobicContact CB-CE2 4.01Å; L331-F373 HydrophobicContact CB-CG 4.29Å; L331-F373 HydrophobicContact CB-CZ 3.82Å; L331-F373 HydrophobicContact CD1-CB 4.3Å; L331-F373 HydrophobicContact CD1-CD1 3.79Å; L331-F373 HydrophobicContact CD1-CE1 4.33Å; L331-F373 HydrophobicContact CD1-CG 3.99Å; L331-F373 HydrophobicContact CG-CD1 4.43Å; L331-R424 HydrophobicContact CD2-CG 4.08Å
332G95.4Very high95.8Very high35 Ų3552.6 Ų52.636%0.36132%0.324SS..  trans-125.3157-175.900000111.9
333I96.5Very high95.9Very high15 Ų1552.8 Ų52.88%0.07732%0.323CS..  trans-113.1122.9170.2-58.9-178.3000107.3D337 A340 R343 K344 L347 V354 F373 F377I333-D337 HydrophobicContact CG2-CB 4.36Å; I333-D337 WeakPolarHBondContact CG2-OD2 3.39Å; I333-A340 HydrophobicContact CG2-CB 3.73Å; I333-R343 HydrophobicContact CD1-CB 3.63Å; I333-K344 HydrophobicContact CD1-CG 4.21Å; I333-L347 HydrophobicContact CD1-CD1 3.84Å; I333-V354 HydrophobicContact CB-CG1 4.19Å; I333-V354 HydrophobicContact CD1-CG2 4.08Å; I333-V354 HydrophobicContact CG1-CG1 4.1Å; I333-V354 HydrophobicContact CG1-CG2 4.34Å; I333-F373 HydrophobicContact CD1-CE2 4.27Å; I333-F373 HydrophobicContact CG1-CE2 3.92Å; I333-F373 HydrophobicContact CG1-CZ 3.93Å; I333-F377 HydrophobicContact CG1-CD2 4.2Å
334S94.8Very high96.1Very high62 Ų6249.4 Ų49.443%0.43430%0.302SS..  trans-59.9145.6-180-175.50000111.2S336 D337S334-S336 PolarHBondContact O-N 3.25Å; S334-S336 PolarHBondContact OG-N 3.35Å; S334-S336 VanDerWaalsContact OG-N 3.15Å; S334-S336 PolarHBondContact OG-OG 3Å; S334-D337 WeakPolarHBondContact O-CB 3.49Å; S334-D337 PolarHBondContact O-N 3.27Å
335S91.8Very high96.2Very high118 Ų11851.7 Ų51.783%0.82531%0.312SS*.THydrogen-bonded Turntrans-67.4-20.5169.350.90000112.9D337S335-D337 VanDerWaalsContact C-N 3.27Å; S335-D337 PolarHBondContact O-N 3.26Å
336S95.4Very high96.2Very high105 Ų10550.9 Ų50.973%0.73431%0.307SS*.THydrogen-bonded Turntrans-79.8-7.2177.468.20000114S334S334-S336 PolarHBondContact O-N 3.25Å; S334-S336 PolarHBondContact OG-N 3.35Å; S334-S336 VanDerWaalsContact OG-N 3.15Å; S334-S336 PolarHBondContact OG-OG 3Å
337D96.1Very high96.1Very high33 Ų3348.7 Ų48.718%0.17630%0.298CS..  trans-78.2120.3179.1168.316000110.3I333 S334 S335 L339 A340 R343I333-D337 HydrophobicContact CG2-CB 4.36Å; I333-D337 WeakPolarHBondContact CG2-OD2 3.39Å; S334-D337 WeakPolarHBondContact O-CB 3.49Å; S334-D337 PolarHBondContact O-N 3.27Å; S335-D337 VanDerWaalsContact C-N 3.27Å; S335-D337 PolarHBondContact O-N 3.26Å; D337-L339 PolarHBondContact O-N 3.43Å; D337-L339 VanDerWaalsContact O-N 3.13Å; D337-L339 PolarHBondContact OD1-N 3.08Å; D337-A340 HydrophobicContact CB-CB 4.07Å; D337-A340 WeakPolarHBondContact O-CB 3.4Å; D337-A340 PolarHBondContact O-N 3.24Å; D337-R343 IonicContact OD1-CZ 3.97Å; D337-R343 IonicContact OD1-NH1 2.71Å; D337-R343 PolarHBondContact OD1-NH1 2.95Å; D337-R343 IonicContact OD2-CZ 3.71Å; D337-R343 IonicContact OD2-NH1 2.63Å; D337-R343 PolarHBondContact OD2-NH1 3.06Å
338S96.7Very high96Very high119 Ų11954.6 Ų54.683%0.83233%0.325SS*.THydrogen-bonded Turntrans-63.2-19.1-177.259.40000113.8
339L96.9Very high95.9Very high28 Ų2854.7 Ų54.715%0.14733%0.326CS..THydrogen-bonded Turntrans-107.111177.7-57.1168.8000112.1D337 L341 T342 R343 K381 L384D337-L339 PolarHBondContact O-N 3.43Å; D337-L339 VanDerWaalsContact O-N 3.13Å; D337-L339 PolarHBondContact OD1-N 3.08Å; L339-L341 VanDerWaalsContact C-N 3.28Å; L339-L341 PolarHBondContact O-N 3.24Å; L339-T342 PolarHBondContact O-N 3.35Å; L339-R343 WeakPolarHBondContact O-CG 3.3Å; L339-R343 PolarHBondContact O-N 3.27Å; L339-K381 HydrophobicContact CD1-CB 4.36Å; L339-K381 HydrophobicContact CD2-CB 4.03Å; L339-K381 HydrophobicContact CD2-CG 4.01Å; L339-L384 HydrophobicContact CB-CD1 3.9Å; L339-L384 HydrophobicContact CD1-CD1 3.95Å; L339-L384 HydrophobicContact CG-CD1 4.35Å
340A96.6Very high95.8Very high10 Ų1054.6 Ų54.68%0.08333%0.325CS..Hα-helixtrans-56.4-40.2-17500000113.3I333 D337 K344I333-A340 HydrophobicContact CG2-CB 3.73Å; D337-A340 HydrophobicContact CB-CB 4.07Å; D337-A340 WeakPolarHBondContact O-CB 3.4Å; D337-A340 PolarHBondContact O-N 3.24Å; A340-K344 WeakPolarHBondContact O-CB 3.37Å; A340-K344 WeakPolarHBondContact O-CG 3.46Å; A340-K344 PolarHBondContact O-N 3.05Å
341L95.7Very high95.8Very high141 Ų14154 Ų5474%0.73833%0.334SS*.Hα-helixtrans-63.9-51.1179.3-173.470.4000110.9L339 R343 K344 Q345L339-L341 VanDerWaalsContact C-N 3.28Å; L339-L341 PolarHBondContact O-N 3.24Å; L341-R343 PolarHBondContact O-N 3.4Å; L341-K344 PolarHBondContact O-N 3.41Å; L341-Q345 WeakPolarHBondContact O-CB 3.32Å; L341-Q345 PolarHBondContact O-N 2.95Å
342T96.1Very high95.7Very high30 Ų3054.6 Ų54.618%0.18434%0.337CS..Hα-helixtrans-62.6-41.8-179.8-49.30000111.7L339 Q345 L346 L384 L388L339-T342 PolarHBondContact O-N 3.35Å; T342-Q345 PolarHBondContact O-N 3.4Å; T342-L346 WeakPolarHBondContact O-CB 3.43Å; T342-L346 PolarHBondContact O-N 3.33Å; T342-L384 HydrophobicContact CG2-CB 4.08Å; T342-L384 HydrophobicContact CG2-CD1 4.42Å; T342-L388 HydrophobicContact CG2-CD2 4.32Å
343R97.4Very high95.8Very high23 Ų2356.8 Ų56.89%0.08735%0.347CS..Hα-helixtrans-62.7-45.6175.9-71.1-178.6173.1118.27.7112.2I333 D337 L339 L341 Q345 L346 L347 I376 F377 M379 L384I333-R343 HydrophobicContact CD1-CB 3.63Å; D337-R343 IonicContact OD1-CZ 3.97Å; D337-R343 IonicContact OD1-NH1 2.71Å; D337-R343 PolarHBondContact OD1-NH1 2.95Å; D337-R343 IonicContact OD2-CZ 3.71Å; D337-R343 IonicContact OD2-NH1 2.63Å; D337-R343 PolarHBondContact OD2-NH1 3.06Å; L339-R343 WeakPolarHBondContact O-CG 3.3Å; L339-R343 PolarHBondContact O-N 3.27Å; L341-R343 PolarHBondContact O-N 3.4Å; R343-Q345 VanDerWaalsContact C-N 3.35Å; R343-L346 PolarHBondContact O-N 3.11Å; R343-L347 WeakPolarHBondContact O-CG 3.26Å; R343-L347 PolarHBondContact O-N 2.71Å; R343-I376 HydrophobicContact CB-CG2 4.06Å; R343-I376 HydrophobicContact CG-CG2 4.1Å; R343-I376 PolarHBondContact NE-O 3.4Å; R343-F377 VanDerWaalsContact CZ-O 3.24Å; R343-F377 PolarHBondContact NE-O 3.19Å; R343-F377 VanDerWaalsContact NE-O 3.08Å; R343-F377 PolarHBondContact NH2-O 2.96Å; R343-M379 PolarHBondContact NH2-O 3.43Å; R343-L384 HydrophobicContact CG-CD1 3.68Å; R343-L384 HydrophobicContact CG-CD2 3.99Å
344K96.9Very high95.7Very high78 Ų7858 Ų5834%0.33936%0.355SS..Hα-helixtrans-62.5-42.2176.3-74173.6-176.3178.80111.5I333 A340 L341 L347 Q348 V354I333-K344 HydrophobicContact CD1-CG 4.21Å; A340-K344 WeakPolarHBondContact O-CB 3.37Å; A340-K344 WeakPolarHBondContact O-CG 3.46Å; A340-K344 PolarHBondContact O-N 3.05Å; L341-K344 PolarHBondContact O-N 3.41Å; K344-L347 PolarHBondContact O-N 3.34Å; K344-Q348 WeakPolarHBondContact O-CB 3.4Å; K344-Q348 VanDerWaalsContact O-CG 3.26Å; K344-Q348 WeakPolarHBondContact O-CG 3.22Å; K344-Q348 PolarHBondContact O-N 2.84Å; K344-V354 HydrophobicContact CG-CB 4.32Å; K344-V354 HydrophobicContact CG-CG2 4.22Å
345Q95.6Very high95.7Very high91 Ų9159.1 Ų59.143%0.42536%0.361SS..Hα-helixtrans-61-47.5176.5-175.6-180-5.400111.3L341 T342 R343 L347 Q348 T349 L388L341-Q345 WeakPolarHBondContact O-CB 3.32Å; L341-Q345 PolarHBondContact O-N 2.95Å; T342-Q345 PolarHBondContact O-N 3.4Å; R343-Q345 VanDerWaalsContact C-N 3.35Å; Q345-L347 VanDerWaalsContact C-N 3.34Å; Q345-L347 PolarHBondContact O-N 3.32Å; Q345-Q348 WeakPolarHBondContact O-CB 3.37Å; Q345-Q348 PolarHBondContact O-N 2.83Å; Q345-T349 WeakPolarHBondContact O-CG2 3.24Å; Q345-T349 PolarHBondContact O-N 2.9Å; Q345-T349 VanDerWaalsContact O-N 3.1Å; Q345-L388 HydrophobicContact CG-CD1 4.18Å
346L96Very high96Very high0 Ų053.8 Ų53.80%032%0.323CS..Hα-helixtrans-65.2-36.1177.9-175.656.7000112.2T342 R343 T349 F350 I376 L384 C387 L388T342-L346 WeakPolarHBondContact O-CB 3.43Å; T342-L346 PolarHBondContact O-N 3.33Å; R343-L346 PolarHBondContact O-N 3.11Å; L346-T349 PolarHBondContact O-N 2.85Å; L346-T349 PolarHBondContact O-OG1 3.04Å; L346-F350 HydrophobicContact CD1-CE2 3.75Å; L346-F350 HydrophobicContact CD1-CZ 4.14Å; L346-F350 HydrophobicContact CG-CE2 4.05Å; L346-F350 WeakPolarHBondContact O-CD2 3.41Å; L346-F350 WeakPolarHBondContact O-CE2 3.44Å; L346-I376 HydrophobicContact CB-CG2 4.41Å; L346-I376 HydrophobicContact CD2-CD1 4.14Å; L346-I376 HydrophobicContact CD2-CG1 3.86Å; L346-I376 HydrophobicContact CD2-CG2 4.14Å; L346-I376 HydrophobicContact CG-CD1 3.87Å; L346-I376 HydrophobicContact CG-CG1 4.16Å; L346-I376 HydrophobicContact CG-CG2 4.47Å; L346-L384 HydrophobicContact CD2-CD2 3.9Å; L346-C387 HydrophobicContact CD2-CB 3.84Å; L346-L388 HydrophobicContact CB-CD1 4.31Å; L346-L388 HydrophobicContact CD1-CD1 4.17Å
347L96.7Very high96Very high2 Ų255.6 Ų55.61%0.0132%0.318CS..Hα-helixtrans-64.1-42.3173-75.1166.4000112I333 R343 K344 Q345 T349 F350 G351 L352 V354 I372 F373 I376I333-L347 HydrophobicContact CD1-CD1 3.84Å; R343-L347 WeakPolarHBondContact O-CG 3.26Å; R343-L347 PolarHBondContact O-N 2.71Å; K344-L347 PolarHBondContact O-N 3.34Å; Q345-L347 VanDerWaalsContact C-N 3.34Å; Q345-L347 PolarHBondContact O-N 3.32Å; L347-T349 VanDerWaalsContact C-N 3.26Å; L347-T349 PolarHBondContact O-N 3.36Å; L347-F350 WeakPolarHBondContact O-CA 3.39Å; L347-F350 PolarHBondContact O-N 3.42Å; L347-G351 PolarHBondContact O-N 3.4Å; L347-L352 CarbonylContact C-O 3.42Å; L347-L352 VanDerWaalsContact C-O 3.22Å; L347-L352 HydrophobicContact CB-CB 4.13Å; L347-L352 HydrophobicContact CD2-CB 4.12Å; L347-L352 HydrophobicContact CD2-CD1 3.91Å; L347-L352 WeakPolarHBondContact O-CB 3.49Å; L347-L352 PolarHBondContact O-N 3.42Å; L347-V354 HydrophobicContact CD1-CG2 3.49Å; L347-V354 VanDerWaalsContact CD1-CG2 3.49Å; L347-I372 HydrophobicContact CD2-CG2 4.38Å; L347-F373 HydrophobicContact CD1-CD2 3.89Å; L347-F373 HydrophobicContact CD1-CE2 4.12Å; L347-F373 HydrophobicContact CD2-CD2 4.33Å; L347-I376 HydrophobicContact CD2-CD1 3.66Å; L347-I376 HydrophobicContact CG-CD1 4.05Å; L347-I376 HydrophobicContact CG-CG2 4.26Å
348Q95.7Very high95.9Very high130 Ų13054.1 Ų54.161%0.60731%0.31SS*.Hα-helixtrans-61.7-33.3177.4-75.4171.5-7.600112.2K344 Q345 F350 G351 L352K344-Q348 WeakPolarHBondContact O-CB 3.4Å; K344-Q348 VanDerWaalsContact O-CG 3.26Å; K344-Q348 WeakPolarHBondContact O-CG 3.22Å; K344-Q348 PolarHBondContact O-N 2.84Å; Q345-Q348 WeakPolarHBondContact O-CB 3.37Å; Q345-Q348 PolarHBondContact O-N 2.83Å; Q348-F350 PolarHBondContact O-N 3.33Å; Q348-F350 VanDerWaalsContact O-N 3.16Å; Q348-G351 PolarHBondContact O-N 2.99Å; Q348-L352 WeakPolarHBondContact CA-O 3.38Å; Q348-L352 PolarHBondContact N-O 2.96Å
349T94.6Very high95.9Very high42 Ų4251.3 Ų51.326%0.25829%0.286SS..Hα-helixtrans-61.7-23.5174.171.80000111.5Q345 L346 L347 L388 R395Q345-T349 WeakPolarHBondContact O-CG2 3.24Å; Q345-T349 PolarHBondContact O-N 2.9Å; Q345-T349 VanDerWaalsContact O-N 3.1Å; L346-T349 PolarHBondContact O-N 2.85Å; L346-T349 PolarHBondContact O-OG1 3.04Å; L347-T349 VanDerWaalsContact C-N 3.26Å; L347-T349 PolarHBondContact O-N 3.36Å; T349-L388 HydrophobicContact CG2-CD1 4.41Å; T349-R395 PolarHBondContact O-NE 2.74Å; T349-R395 PolarHBondContact O-NH2 3.15Å
350F94.5Very high96Very high7 Ų750 Ų503%0.03128%0.279CS..THydrogen-bonded Turntrans-96.96175.2-55.8-58000114.5L346 L347 Q348 L352 I372 I376 R395 I398 K399 L402L346-F350 HydrophobicContact CD1-CE2 3.75Å; L346-F350 HydrophobicContact CD1-CZ 4.14Å; L346-F350 HydrophobicContact CG-CE2 4.05Å; L346-F350 WeakPolarHBondContact O-CD2 3.41Å; L346-F350 WeakPolarHBondContact O-CE2 3.44Å; L347-F350 WeakPolarHBondContact O-CA 3.39Å; L347-F350 PolarHBondContact O-N 3.42Å; Q348-F350 PolarHBondContact O-N 3.33Å; Q348-F350 VanDerWaalsContact O-N 3.16Å; F350-L352 VanDerWaalsContact C-N 3.32Å; F350-L352 HydrophobicContact CB-CG 4.36Å; F350-I372 HydrophobicContact CD2-CG2 4.16Å; F350-I376 HydrophobicContact CD2-CD1 4.06Å; F350-I376 HydrophobicContact CE2-CD1 4.02Å; F350-R395 HydrophobicContact CD1-CG 4.42Å; F350-R395 HydrophobicContact CE1-CG 4.19Å; F350-I398 HydrophobicContact CE1-CG2 4.49Å; F350-I398 HydrophobicContact CZ-CB 4.32Å; F350-I398 HydrophobicContact CZ-CG2 3.76Å; F350-K399 HydrophobicContact CD1-CB 3.75Å; F350-K399 HydrophobicContact CD1-CD 4.11Å; F350-K399 HydrophobicContact CD1-CG 3.94Å; F350-K399 HydrophobicContact CE1-CB 3.74Å; F350-K399 HydrophobicContact CE1-CG 4.41Å; F350-L402 HydrophobicContact CD2-CD1 4.39Å; F350-L402 HydrophobicContact CE2-CD1 3.54Å; F350-L402 HydrophobicContact CZ-CD1 3.82Å
351G95Very high96Very high65 Ų6554.3 Ų54.367%0.6729%0.293SS*.THydrogen-bonded Turntrans79.514.4-176.800000113.6L347 Q348L347-G351 PolarHBondContact O-N 3.4Å; Q348-G351 PolarHBondContact O-N 2.99Å
352L96.5Very high95.9Very high13 Ų1348.2 Ų48.27%0.06826%0.264CS..  trans-98.5130.6-179.3-57179.6000110L347 Q348 F350 L356 E369 I372L347-L352 CarbonylContact C-O 3.42Å; L347-L352 VanDerWaalsContact C-O 3.22Å; L347-L352 HydrophobicContact CB-CB 4.13Å; L347-L352 HydrophobicContact CD2-CB 4.12Å; L347-L352 HydrophobicContact CD2-CD1 3.91Å; L347-L352 WeakPolarHBondContact O-CB 3.49Å; L347-L352 PolarHBondContact O-N 3.42Å; Q348-L352 WeakPolarHBondContact CA-O 3.38Å; Q348-L352 PolarHBondContact N-O 2.96Å; F350-L352 VanDerWaalsContact C-N 3.32Å; F350-L352 HydrophobicContact CB-CG 4.36Å; L352-L356 HydrophobicContact CB-CD1 4.32Å; L352-L356 HydrophobicContact CD2-CD1 4.04Å; L352-E369 HydrophobicContact CD2-CB 4.39Å; L352-E369 HydrophobicContact CD2-CG 3.93Å; L352-I372 HydrophobicContact CD1-CB 4.09Å; L352-I372 HydrophobicContact CD1-CD1 4.38Å; L352-I372 HydrophobicContact CD1-CG2 3.64Å
353S95.6Very high95.9Very high80 Ų8049.9 Ų49.956%0.55927%0.271SS*.  trans-107.5157.1176.763.30000110.9P355 L356S353-P355 CarbonylContact O-C 3.55Å; S353-L356 WeakPolarHBondContact O-CA 3.45Å; S353-L356 WeakPolarHBondContact O-CB 3.46Å; S353-L356 PolarHBondContact O-N 2.73Å
354V95.3Very high95.8Very high41 Ų4150.1 Ų50.125%0.24827%0.274CS..SBendtrans-117.8128.5178-179.10000108.6I333 K344 L347 F373I333-V354 HydrophobicContact CB-CG1 4.19Å; I333-V354 HydrophobicContact CD1-CG2 4.08Å; I333-V354 HydrophobicContact CG1-CG1 4.1Å; I333-V354 HydrophobicContact CG1-CG2 4.34Å; K344-V354 HydrophobicContact CG-CB 4.32Å; K344-V354 HydrophobicContact CG-CG2 4.22Å; L347-V354 HydrophobicContact CD1-CG2 3.49Å; L347-V354 VanDerWaalsContact CD1-CG2 3.49Å; V354-F373 HydrophobicContact CG2-CE2 4.41Å
355P95.4Very high95.8Very high85 Ų8552 Ų5255%0.55228%0.284SS*.SBendcis-66.7132.54.128.5-34.9000113T330 L331 S353T330-P355 HydrophobicContact CG2-CB 3.71Å; L331-P355 CarbonylContact O-C 3.59Å; L331-P355 WeakPolarHBondContact O-CA 3.46Å; S353-P355 CarbonylContact O-C 3.55Å
356L97Very high95.8Very high7 Ų748.8 Ų48.84%0.03727%0.272CS..EExtended strand (participates in β ladder)trans-83.7127179.1175.165.7000108.6T330 L331 L352 S353 E369 F373T330-L356 CarbonylContact C-O 3.54Å; T330-L356 WeakPolarHBondContact CA-O 3.17Å; L331-L356 HydrophobicContact CB-CB 4.32Å; L331-L356 HydrophobicContact CD1-CD2 4.32Å; L331-L356 PolarHBondContact N-O 3.38Å; L331-L356 PolarHBondContact O-N 3.33Å; L352-L356 HydrophobicContact CB-CD1 4.32Å; L352-L356 HydrophobicContact CD2-CD1 4.04Å; S353-L356 WeakPolarHBondContact O-CA 3.45Å; S353-L356 WeakPolarHBondContact O-CB 3.46Å; S353-L356 PolarHBondContact O-N 2.73Å; L356-E369 HydrophobicContact CD2-CB 4.29Å; L356-F373 HydrophobicContact CB-CD2 4.26Å; L356-F373 HydrophobicContact CD2-CB 3.61Å; L356-F373 HydrophobicContact CD2-CD2 3.8Å; L356-F373 HydrophobicContact CD2-CG 3.96Å
357K95.6Very high95.9Very high143 Ų14348.8 Ų48.862%0.62227%0.272SS*.EExtended strand (participates in β ladder)trans-105.1115.8171.2-67.8-173.7177.4-173.80108.4T328 I329T328-K357 HydrophobicContact CG2-CB 3.91Å; T328-K357 HydrophobicContact CG2-CG 4.48Å; I329-K357 WeakPolarHBondContact O-CA 3.41Å
358C94.9Very high95.9Very high1 Ų150.9 Ų50.91%0.00729%0.285CS..EExtended strand (participates in β ladder)trans-118.8138.7177.457.20000111.2T328 I329 E369T328-C358 CarbonylContact C-O 3.53Å; T328-C358 WeakPolarHBondContact CA-O 3.26Å; I329-C358 WeakPolarHBondContact CG1-SG 3.4Å; I329-C358 PolarHBondContact N-O 2.92Å; I329-C358 PolarHBondContact O-N 2.79Å; C358-E369 HydrophobicContact CB-CB 4.26Å
359D97Very high96Very high61 Ų6148.3 Ų48.333%0.32627%0.273SS..EExtended strand (participates in β ladder)trans-93.1110.1-178.9-75-22.7000110.2K326 T328K326-D359 HydrophobicContact CD-CB 3.93Å; K326-D359 WeakPolarHBondContact CD-OD2 3.35Å; K326-D359 IonicContact NZ-OD1 2.66Å; K326-D359 PolarHBondContact NZ-OD1 3.4Å; K326-D359 VanDerWaalsContact NZ-OD1 3.1Å; K326-D359 IonicContact NZ-OD2 3.14Å; K326-D359 PolarHBondContact NZ-OD2 2.88Å; T328-D359 WeakPolarHBondContact CB-OD1 3.49Å; T328-D359 PolarHBondContact OG1-OD1 3.47Å
360L98Very high96.1Very high0 Ų046.3 Ų46.30%026%0.261CS..EExtended strand (participates in β ladder)trans-91.9138.4175.8-56-173.9000110.6K326 L327 I329 M367 F370 L425 I463 L464K326-L360 CarbonylContact C-O 3.6Å; K326-L360 WeakPolarHBondContact CA-O 3.47Å; K326-L360 WeakPolarHBondContact CB-O 3.5Å; L327-L360 PolarHBondContact N-O 3.26Å; L327-L360 PolarHBondContact O-N 3.46Å; I329-L360 HydrophobicContact CD1-CD1 3.82Å; I329-L360 HydrophobicContact CD1-CG 4.36Å; I329-L360 HydrophobicContact CG1-CD1 4.18Å; I329-L360 HydrophobicContact CG1-CG 4.3Å; I329-L360 HydrophobicContact CG2-CD1 4.09Å; L360-M367 HydrophobicContact CD2-CG 4.15Å; L360-F370 HydrophobicContact CD2-CD1 4.47Å; L360-L425 HydrophobicContact CD1-CD2 3.84Å; L360-I463 HydrophobicContact CB-CG2 3.67Å; L360-L464 HydrophobicContact CD1-CD2 4.35Å
361R97.2Very high96.2Very high101 Ų10146 Ų4638%0.38126%0.259SS..  trans-119.63.5177.4-62.4-177.8172.8-86.84.1113.4N324 N325 K326 N363 S366N324-R361 PolarHBondContact O-NH1 2.95Å; N325-R361 PolarHBondContact O-NH1 3.07Å; N325-R361 VanDerWaalsContact O-NH1 3.1Å; K326-R361 HydrophobicContact CB-CG 4.05Å; R361-N363 PolarHBondContact O-N 3.33Å; R361-S366 PolarHBondContact N-OG 2.94Å
362G94.2Very high96.4Very high12 Ų1243 Ų4312%0.12423%0.228CC..SBendtrans83-10.8-175.800000114.2S466 N470G362-S466 WeakPolarHBondContact O-CB 3.47Å; G362-N470 PolarHBondContact O-ND2 2.95Å
363N95.5Very high96.4Very high65 Ų6542.5 Ų42.535%0.34823%0.225SC..SBendtrans-92.8159.4167.264.248.9000111.6R361 E365 S366R361-N363 PolarHBondContact O-N 3.33Å; N363-E365 WeakPolarHBondContact CB-OE2 3.42Å; N363-S366 PolarHBondContact O-OG 3.43Å; N363-S366 VanDerWaalsContact OD1-CB 3.26Å; N363-S366 WeakPolarHBondContact OD1-CB 3.46Å; N363-S366 PolarHBondContact OD1-N 3.32Å; N363-S366 PolarHBondContact OD1-OG 3.03Å
364I95.8Very high96.5Very high28 Ų2838.7 Ų38.714%0.14420%0.198CC..SBendtrans-70.4-32.9-174.8-162.3162.9000112.5S366 M367 F371 F405 N470 I474I364-S366 VanDerWaalsContact C-N 3.28Å; I364-S366 PolarHBondContact O-N 3.48Å; I364-M367 VanDerWaalsContact O-CB 3.3Å; I364-M367 WeakPolarHBondContact O-CB 3.35Å; I364-M367 PolarHBondContact O-N 2.94Å; I364-F371 HydrophobicContact CG1-CE2 4.3Å; I364-F405 HydrophobicContact CD1-CB 3.65Å; I364-F405 HydrophobicContact CD1-CG 4.14Å; I364-F405 HydrophobicContact CG1-CB 3.92Å; I364-F405 HydrophobicContact CG1-CD1 3.91Å; I364-F405 HydrophobicContact CG1-CD2 4.43Å; I364-F405 HydrophobicContact CG1-CG 3.83Å; I364-F405 HydrophobicContact CG2-CD2 4.25Å; I364-F405 HydrophobicContact CG2-CG 4.46Å; I364-F405 WeakPolarHBondContact O-CE1 3.41Å; I364-N470 HydrophobicContact CB-CB 4.34Å; I364-N470 HydrophobicContact CD1-CB 4.41Å; I364-N470 HydrophobicContact CG1-CB 4.46Å; I364-I474 HydrophobicContact CD1-CD1 3.64Å; I364-I474 HydrophobicContact CD1-CG1 4.2Å
365E95.8Very high96.6Very high118 Ų11836.8 Ų36.855%0.55119%0.187SC*.G310 helixtrans-61.9-37.4-178.7-63.976.5-16800111.7N363 M367 T368 F405N363-E365 WeakPolarHBondContact CB-OE2 3.42Å; E365-M367 PolarHBondContact O-N 3.34Å; E365-M367 VanDerWaalsContact O-N 3.16Å; E365-T368 PolarHBondContact O-N 2.96Å; E365-T368 PolarHBondContact O-OG1 3.46Å; E365-F405 HydrophobicContact CG-CE2 4.27Å
366S96.4Very high96.7Very high23 Ų2332.7 Ų32.716%0.16116%0.16CC..G310 helixtrans-64.2-15.3175.671.80000113.8R361 N363 I364R361-S366 PolarHBondContact N-OG 2.94Å; N363-S366 PolarHBondContact O-OG 3.43Å; N363-S366 VanDerWaalsContact OD1-CB 3.26Å; N363-S366 WeakPolarHBondContact OD1-CB 3.46Å; N363-S366 PolarHBondContact OD1-N 3.32Å; N363-S366 PolarHBondContact OD1-OG 3.03Å; I364-S366 VanDerWaalsContact C-N 3.28Å; I364-S366 PolarHBondContact O-N 3.48Å
367M97Very high96.7Very high0 Ų035 Ų350%017%0.17CC..G310 helixtrans-912.1-174.9-51.8-17671.200113.6L360 I364 E365 E369 F370 F371 M421 L425 I471L360-M367 HydrophobicContact CD2-CG 4.15Å; I364-M367 VanDerWaalsContact O-CB 3.3Å; I364-M367 WeakPolarHBondContact O-CB 3.35Å; I364-M367 PolarHBondContact O-N 2.94Å; E365-M367 PolarHBondContact O-N 3.34Å; E365-M367 VanDerWaalsContact O-N 3.16Å; M367-E369 PolarHBondContact O-N 3.07Å; M367-F370 HydrophobicContact CE-CD1 3.85Å; M367-F370 HydrophobicContact CE-CE1 4.24Å; M367-F370 CarbonylContact O-C 3.45Å; M367-F370 WeakPolarHBondContact O-CA 3.39Å; M367-F370 WeakPolarHBondContact O-CB 3.47Å; M367-F370 PolarHBondContact O-N 3.19Å; M367-F371 HydrophobicContact CB-CD2 3.81Å; M367-F371 HydrophobicContact CB-CE2 3.76Å; M367-F371 WeakPolarHBondContact O-CD2 3.48Å; M367-F371 PolarHBondContact O-N 3.32Å; M367-M421 HydrophobicContact CE-CE 3.97Å; M367-L425 HydrophobicContact CE-CD1 4.28Å; M367-I471 HydrophobicContact CE-CD1 3.47Å; M367-I471 VanDerWaalsContact CE-CD1 3.47Å; M367-I471 HydrophobicContact CE-CG1 3.7Å; M367-I471 HydrophobicContact SD-CG1 4.45Å
368T97.1Very high96.8Very high47 Ų4729.2 Ų29.229%0.28815%0.147SC..Hα-helixtrans-43.3-55-176.5-62.40000113.9E365 F370 F371 I372 F405E365-T368 PolarHBondContact O-N 2.96Å; E365-T368 PolarHBondContact O-OG1 3.46Å; T368-F370 VanDerWaalsContact C-N 3.31Å; T368-F370 PolarHBondContact O-N 3.41Å; T368-F371 PolarHBondContact O-N 2.92Å; T368-I372 HydrophobicContact CG2-CD1 4.2Å; T368-I372 WeakPolarHBondContact O-CG1 3.27Å; T368-I372 PolarHBondContact O-N 3.47Å; T368-I372 VanDerWaalsContact O-N 3.13Å; T368-F405 WeakPolarHBondContact OG1-CZ 3.34Å
369E97.2Very high96.8Very high76 Ų7629.3 Ų29.336%0.35515%0.148SC..Hα-helixtrans-70.7-29.9-178.1-60.6-176.9161.400112.2L352 L356 C358 M367 I372 F373L352-E369 HydrophobicContact CD2-CB 4.39Å; L352-E369 HydrophobicContact CD2-CG 3.93Å; L356-E369 HydrophobicContact CD2-CB 4.29Å; C358-E369 HydrophobicContact CB-CB 4.26Å; M367-E369 PolarHBondContact O-N 3.07Å; E369-I372 PolarHBondContact O-N 3.07Å; E369-F373 VanDerWaalsContact O-CB 3.26Å; E369-F373 WeakPolarHBondContact O-CB 3.44Å; E369-F373 PolarHBondContact O-N 2.97Å
370F97.7Very high96.7Very high0 Ų029.9 Ų29.90%015%0.151CC..Hα-helixtrans-68.6-38.6176-170.5-161000111.4I329 L331 L360 M367 T368 S374 F420 M421 R424 L425I329-F370 HydrophobicContact CD1-CD1 4.38Å; I329-F370 HydrophobicContact CD1-CE1 4.27Å; I329-F370 HydrophobicContact CD1-CZ 4.34Å; L331-F370 HydrophobicContact CD1-CD2 3.31Å; L331-F370 HydrophobicContact CD1-CE2 3.71Å; L331-F370 HydrophobicContact CD1-CG 4.18Å; L331-F370 HydrophobicContact CD2-CD2 4.4Å; L331-F370 HydrophobicContact CD2-CE2 3.93Å; L331-F370 HydrophobicContact CG-CD2 4.47Å; L331-F370 HydrophobicContact CG-CE2 4.48Å; L360-F370 HydrophobicContact CD2-CD1 4.47Å; M367-F370 HydrophobicContact CE-CD1 3.85Å; M367-F370 HydrophobicContact CE-CE1 4.24Å; M367-F370 CarbonylContact O-C 3.45Å; M367-F370 WeakPolarHBondContact O-CA 3.39Å; M367-F370 WeakPolarHBondContact O-CB 3.47Å; M367-F370 PolarHBondContact O-N 3.19Å; T368-F370 VanDerWaalsContact C-N 3.31Å; T368-F370 PolarHBondContact O-N 3.41Å; F370-S374 VanDerWaalsContact CD2-OG 3.28Å; F370-S374 WeakPolarHBondContact CD2-OG 3.47Å; F370-S374 WeakPolarHBondContact CE2-OG 3.28Å; F370-S374 WeakPolarHBondContact O-CB 3.36Å; F370-S374 PolarHBondContact O-N 3.01Å; F370-S374 PolarHBondContact O-OG 3.31Å; F370-F420 HydrophobicContact CE2-CE1 4.08Å; F370-M421 HydrophobicContact CB-CE 4.14Å; F370-M421 HydrophobicContact CD1-CE 3.5Å; F370-M421 HydrophobicContact CD1-CG 4.36Å; F370-M421 HydrophobicContact CD2-CE 4.3Å; F370-M421 HydrophobicContact CD2-CG 4.13Å; F370-M421 HydrophobicContact CE1-CB 3.86Å; F370-M421 HydrophobicContact CE1-CE 3.93Å; F370-M421 HydrophobicContact CE1-CG 4.01Å; F370-M421 HydrophobicContact CE2-CB 4.25Å; F370-M421 HydrophobicContact CE2-CG 3.79Å; F370-M421 HydrophobicContact CG-CE 3.72Å; F370-M421 HydrophobicContact CG-CG 4.43Å; F370-M421 HydrophobicContact CZ-CB 3.7Å; F370-M421 HydrophobicContact CZ-CG 3.74Å; F370-R424 HydrophobicContact CZ-CB 4.28Å; F370-R424 HydrophobicContact CZ-CG 4.26Å; F370-L425 HydrophobicContact CE1-CD1 4.05Å; F370-L425 HydrophobicContact CE1-CD2 3.8Å; F370-L425 HydrophobicContact CE1-CG 3.89Å; F370-L425 HydrophobicContact CZ-CD2 4.3Å; F370-L425 HydrophobicContact CZ-CG 4.33Å
371F97.5Very high96.6Very high0 Ų036.1 Ų36.10%018%0.178CC..Hα-helixtrans-62.3-51.5171.5-85.7-83.8000111.6I364 M367 T368 F373 S374 R375 F405 L418 M421 I471 I474I364-F371 HydrophobicContact CG1-CE2 4.3Å; M367-F371 HydrophobicContact CB-CD2 3.81Å; M367-F371 HydrophobicContact CB-CE2 3.76Å; M367-F371 WeakPolarHBondContact O-CD2 3.48Å; M367-F371 PolarHBondContact O-N 3.32Å; T368-F371 PolarHBondContact O-N 2.92Å; F371-F373 VanDerWaalsContact C-N 3.31Å; F371-F373 PolarHBondContact O-N 2.86Å; F371-S374 PolarHBondContact O-N 3.01Å; F371-R375 WeakPolarHBondContact O-CB 3.49Å; F371-R375 WeakPolarHBondContact O-CG 3.37Å; F371-R375 PolarHBondContact O-N 2.94Å; F371-F405 AromaticContact CD2-CD1 3.92Å; F371-F405 HydrophobicContact CD2-CD1 3.92Å; F371-F405 HydrophobicContact CD2-CE1 4.12Å; F371-F405 AromaticContact CE2-CD1 3.91Å; F371-F405 HydrophobicContact CE2-CD1 3.91Å; F371-F405 HydrophobicContact CE2-CE1 4.42Å; F371-L418 HydrophobicContact CD1-CD2 4.21Å; F371-L418 HydrophobicContact CE1-CD2 3.6Å; F371-M421 HydrophobicContact CD1-CE 4.07Å; F371-M421 HydrophobicContact CD1-SD 3.97Å; F371-M421 HydrophobicContact CD2-CE 3.75Å; F371-M421 HydrophobicContact CE1-CE 4.11Å; F371-M421 HydrophobicContact CE1-SD 4.09Å; F371-M421 HydrophobicContact CE2-CE 3.78Å; F371-M421 HydrophobicContact CG-CE 3.88Å; F371-M421 HydrophobicContact CG-SD 4.27Å; F371-M421 HydrophobicContact CZ-CE 3.95Å; F371-M421 HydrophobicContact CZ-SD 4.47Å; F371-I471 HydrophobicContact CZ-CG1 4.46Å; F371-I474 HydrophobicContact CE1-CD1 3.96Å; F371-I474 HydrophobicContact CZ-CD1 3.5Å; F371-I474 VanDerWaalsContact CZ-CD1 3.5Å
372I97.2Very high96.5Very high3 Ų337 Ų372%0.01519%0.191CC..Hα-helixtrans-56.3-49.2178.8-64.9167.9000110.1L347 F350 L352 T368 E369 S374 I376 K399 L402L347-I372 HydrophobicContact CD2-CG2 4.38Å; F350-I372 HydrophobicContact CD2-CG2 4.16Å; L352-I372 HydrophobicContact CD1-CB 4.09Å; L352-I372 HydrophobicContact CD1-CD1 4.38Å; L352-I372 HydrophobicContact CD1-CG2 3.64Å; T368-I372 HydrophobicContact CG2-CD1 4.2Å; T368-I372 WeakPolarHBondContact O-CG1 3.27Å; T368-I372 PolarHBondContact O-N 3.47Å; T368-I372 VanDerWaalsContact O-N 3.13Å; E369-I372 PolarHBondContact O-N 3.07Å; I372-S374 PolarHBondContact O-N 3.23Å; I372-I376 HydrophobicContact CG2-CD1 3.76Å; I372-I376 WeakPolarHBondContact O-CG1 3.45Å; I372-I376 PolarHBondContact O-N 3.48Å; I372-I376 VanDerWaalsContact O-N 3.14Å; I372-K399 HydrophobicContact CD1-CG 4.41Å; I372-L402 HydrophobicContact CB-CB 4.49Å; I372-L402 HydrophobicContact CG1-CB 4.05Å; I372-L402 HydrophobicContact CG2-CB 4.41Å; I372-L402 PolarHBondContact N-O 2.91Å
373F98Very high96.5Very high1 Ų137.7 Ų37.70%0.00419%0.191CC..Hα-helixtrans-58.6-49.5177.9179.8-84.7000111.9L331 I333 L347 V354 L356 E369 F371 R375 I376 F377 F420L331-F373 HydrophobicContact CB-CD1 4.07Å; L331-F373 HydrophobicContact CB-CD2 4.25Å; L331-F373 HydrophobicContact CB-CE1 3.85Å; L331-F373 HydrophobicContact CB-CE2 4.01Å; L331-F373 HydrophobicContact CB-CG 4.29Å; L331-F373 HydrophobicContact CB-CZ 3.82Å; L331-F373 HydrophobicContact CD1-CB 4.3Å; L331-F373 HydrophobicContact CD1-CD1 3.79Å; L331-F373 HydrophobicContact CD1-CE1 4.33Å; L331-F373 HydrophobicContact CD1-CG 3.99Å; L331-F373 HydrophobicContact CG-CD1 4.43Å; I333-F373 HydrophobicContact CD1-CE2 4.27Å; I333-F373 HydrophobicContact CG1-CE2 3.92Å; I333-F373 HydrophobicContact CG1-CZ 3.93Å; L347-F373 HydrophobicContact CD1-CD2 3.89Å; L347-F373 HydrophobicContact CD1-CE2 4.12Å; L347-F373 HydrophobicContact CD2-CD2 4.33Å; V354-F373 HydrophobicContact CG2-CE2 4.41Å; L356-F373 HydrophobicContact CB-CD2 4.26Å; L356-F373 HydrophobicContact CD2-CB 3.61Å; L356-F373 HydrophobicContact CD2-CD2 3.8Å; L356-F373 HydrophobicContact CD2-CG 3.96Å; E369-F373 VanDerWaalsContact O-CB 3.26Å; E369-F373 WeakPolarHBondContact O-CB 3.44Å; E369-F373 PolarHBondContact O-N 2.97Å; F371-F373 VanDerWaalsContact C-N 3.31Å; F371-F373 PolarHBondContact O-N 2.86Å; F373-R375 PolarHBondContact O-N 2.74Å; F373-I376 PolarHBondContact O-N 2.76Å; F373-F377 HydrophobicContact CD1-CB 4.22Å; F373-F377 HydrophobicContact CE1-CB 3.94Å; F373-F377 HydrophobicContact CE1-CD2 4.13Å; F373-F377 HydrophobicContact CE1-CG 4.01Å; F373-F377 HydrophobicContact CZ-CB 4.46Å; F373-F377 HydrophobicContact CZ-CD2 4.09Å; F373-F377 HydrophobicContact CZ-CG 4.43Å; F373-F377 WeakPolarHBondContact O-CB 3.49Å; F373-F377 PolarHBondContact O-N 2.79Å; F373-F420 HydrophobicContact CD1-CE1 4.14Å; F373-F420 AromaticContact CE1-CE1 3.98Å; F373-F420 HydrophobicContact CE1-CE1 3.98Å; F373-F420 AromaticContact CE1-CZ 3.96Å; F373-F420 HydrophobicContact CE1-CZ 3.96Å
374S97.6Very high96.5Very high0 Ų034.6 Ų34.60%017%0.174CC..Hα-helixtrans-69.4-36.2-171.8-59.10000112.7F370 F371 I372 S378 A417 F420 M421F370-S374 VanDerWaalsContact CD2-OG 3.28Å; F370-S374 WeakPolarHBondContact CD2-OG 3.47Å; F370-S374 WeakPolarHBondContact CE2-OG 3.28Å; F370-S374 WeakPolarHBondContact O-CB 3.36Å; F370-S374 PolarHBondContact O-N 3.01Å; F370-S374 PolarHBondContact O-OG 3.31Å; F371-S374 PolarHBondContact O-N 3.01Å; I372-S374 PolarHBondContact O-N 3.23Å; S374-S378 VanDerWaalsContact O-CB 3.3Å; S374-S378 WeakPolarHBondContact O-CB 3.19Å; S374-S378 PolarHBondContact O-N 2.69Å; S374-S378 PolarHBondContact O-OG 3.13Å; S374-A417 WeakPolarHBondContact O-CB 3.38Å; S374-F420 WeakPolarHBondContact OG-CD1 3.18Å; S374-M421 VanDerWaalsContact CB-CG 3.42Å; S374-M421 WeakPolarHBondContact OG-CG 3.46Å
375R97.3Very high96.3Very high1 Ų136.4 Ų36.40%0.00418%0.184CC..Hα-helixtrans-63.4-54.1172.6-74.7171.9169.2147.7-1.9110.6F371 F373 F377 S378 M379 Q401 L402 S404 E406 I411 E414 A417F371-R375 WeakPolarHBondContact O-CB 3.49Å; F371-R375 WeakPolarHBondContact O-CG 3.37Å; F371-R375 PolarHBondContact O-N 2.94Å; F373-R375 PolarHBondContact O-N 2.74Å; R375-F377 VanDerWaalsContact C-N 3.28Å; R375-F377 PolarHBondContact O-N 3.17Å; R375-S378 PolarHBondContact O-N 3.25Å; R375-S378 VanDerWaalsContact O-N 3.11Å; R375-M379 VanDerWaalsContact O-CG 3.31Å; R375-M379 WeakPolarHBondContact O-CG 3.46Å; R375-M379 PolarHBondContact O-N 2.81Å; R375-M379 VanDerWaalsContact O-N 3.09Å; R375-Q401 PolarHBondContact NH1-O 3.42Å; R375-L402 HydrophobicContact CB-CD2 3.8Å; R375-L402 WeakPolarHBondContact CD-O 3.34Å; R375-L402 PolarHBondContact NH1-O 3.4Å; R375-S404 PolarHBondContact NH1-O 3.33Å; R375-S404 PolarHBondContact NH2-O 2.83Å; R375-E406 PolarHBondContact NH2-O 2.89Å; R375-I411 HydrophobicContact CG-CD1 4.19Å; R375-E414 IonicContact CZ-OE1 2.93Å; R375-E414 IonicContact CZ-OE2 3.9Å; R375-E414 IonicContact NE-OE1 3.27Å; R375-E414 PolarHBondContact NE-OE1 2.85Å; R375-E414 IonicContact NE-OE2 3.18Å; R375-E414 PolarHBondContact NE-OE2 3.18Å; R375-E414 IonicContact NH2-OE1 2.68Å; R375-E414 PolarHBondContact NH2-OE1 3.07Å; R375-E414 IonicContact NH2-OE2 3.36Å; R375-A417 HydrophobicContact CG-CB 4.01Å
376I97Very high96.2Very high0 Ų037.5 Ų37.50%019%0.187CC..Hα-helixtrans-59.4-39.8176.9-67.1168.7000111.7R343 L346 L347 F350 I372 F373 S378 L384 L402R343-I376 HydrophobicContact CB-CG2 4.06Å; R343-I376 HydrophobicContact CG-CG2 4.1Å; R343-I376 PolarHBondContact NE-O 3.4Å; L346-I376 HydrophobicContact CB-CG2 4.41Å; L346-I376 HydrophobicContact CD2-CD1 4.14Å; L346-I376 HydrophobicContact CD2-CG1 3.86Å; L346-I376 HydrophobicContact CD2-CG2 4.14Å; L346-I376 HydrophobicContact CG-CD1 3.87Å; L346-I376 HydrophobicContact CG-CG1 4.16Å; L346-I376 HydrophobicContact CG-CG2 4.47Å; L347-I376 HydrophobicContact CD2-CD1 3.66Å; L347-I376 HydrophobicContact CG-CD1 4.05Å; L347-I376 HydrophobicContact CG-CG2 4.26Å; F350-I376 HydrophobicContact CD2-CD1 4.06Å; F350-I376 HydrophobicContact CE2-CD1 4.02Å; I372-I376 HydrophobicContact CG2-CD1 3.76Å; I372-I376 WeakPolarHBondContact O-CG1 3.45Å; I372-I376 PolarHBondContact O-N 3.48Å; I372-I376 VanDerWaalsContact O-N 3.14Å; F373-I376 PolarHBondContact O-N 2.76Å; I376-S378 VanDerWaalsContact C-N 3.28Å; I376-S378 PolarHBondContact O-N 2.95Å; I376-L384 HydrophobicContact CG2-CD2 3.93Å; I376-L402 HydrophobicContact CD1-CD1 4.08Å; I376-L402 HydrophobicContact CG1-CD1 4.08Å
377F97.4Very high96Very high55 Ų5537.4 Ų37.424%0.24119%0.186CC..Hα-helixtrans-64.6-33.5179.3-176.2-101.3000112.4I333 R343 F373 R375 F420I333-F377 HydrophobicContact CG1-CD2 4.2Å; R343-F377 VanDerWaalsContact CZ-O 3.24Å; R343-F377 PolarHBondContact NE-O 3.19Å; R343-F377 VanDerWaalsContact NE-O 3.08Å; R343-F377 PolarHBondContact NH2-O 2.96Å; F373-F377 HydrophobicContact CD1-CB 4.22Å; F373-F377 HydrophobicContact CE1-CB 3.94Å; F373-F377 HydrophobicContact CE1-CD2 4.13Å; F373-F377 HydrophobicContact CE1-CG 4.01Å; F373-F377 HydrophobicContact CZ-CB 4.46Å; F373-F377 HydrophobicContact CZ-CD2 4.09Å; F373-F377 HydrophobicContact CZ-CG 4.43Å; F373-F377 WeakPolarHBondContact O-CB 3.49Å; F373-F377 PolarHBondContact O-N 2.79Å; R375-F377 VanDerWaalsContact C-N 3.28Å; R375-F377 PolarHBondContact O-N 3.17Å; F377-F420 HydrophobicContact CD1-CD1 4.36Å; F377-F420 AromaticContact CD1-CD2 3.82Å; F377-F420 HydrophobicContact CD1-CD2 3.82Å; F377-F420 HydrophobicContact CD1-CE1 4.23Å; F377-F420 AromaticContact CD1-CE2 3.67Å; F377-F420 HydrophobicContact CD1-CE2 3.67Å; F377-F420 HydrophobicContact CD1-CG 4.16Å; F377-F420 AromaticContact CD1-CZ 3.89Å; F377-F420 HydrophobicContact CD1-CZ 3.89Å; F377-F420 AromaticContact CE1-CD2 3.67Å; F377-F420 HydrophobicContact CE1-CD2 3.67Å; F377-F420 AromaticContact CE1-CE2 3.4Å; F377-F420 HydrophobicContact CE1-CE2 3.4Å; F377-F420 VanDerWaalsContact CE1-CE2 3.4Å; F377-F420 HydrophobicContact CE1-CG 4.44Å; F377-F420 HydrophobicContact CE1-CZ 4.01Å; F377-F420 HydrophobicContact CG-CZ 4.5Å; F377-F420 HydrophobicContact CZ-CE2 4.19Å
378S96.7Very high95.7Very high21 Ų2138.6 Ų38.615%0.14719%0.192CC..Hα-helixtrans-90.6-16.5-175.6-56.20000114.2S374 R375 I376 S413 A417S374-S378 VanDerWaalsContact O-CB 3.3Å; S374-S378 WeakPolarHBondContact O-CB 3.19Å; S374-S378 PolarHBondContact O-N 2.69Å; S374-S378 PolarHBondContact O-OG 3.13Å; R375-S378 PolarHBondContact O-N 3.25Å; R375-S378 VanDerWaalsContact O-N 3.11Å; I376-S378 VanDerWaalsContact C-N 3.28Å; I376-S378 PolarHBondContact O-N 2.95Å; S378-S413 VanDerWaalsContact O-CB 3.29Å; S378-S413 WeakPolarHBondContact O-CB 3.37Å; S378-A417 WeakPolarHBondContact OG-CA 3.35Å; S378-A417 PolarHBondContact OG-N 2.93Å
379M96.4Very high95.5Very high3 Ų340.7 Ų40.72%0.01520%0.204CC..  trans-59.4142.1178.3-77.6171.1178.700112.4R343 R375 E383 L384 C387 L402 I411 S413R343-M379 PolarHBondContact NH2-O 3.43Å; R375-M379 VanDerWaalsContact O-CG 3.31Å; R375-M379 WeakPolarHBondContact O-CG 3.46Å; R375-M379 PolarHBondContact O-N 2.81Å; R375-M379 VanDerWaalsContact O-N 3.09Å; M379-E383 VanDerWaalsContact CA-OE2 3.29Å; M379-E383 WeakPolarHBondContact CA-OE2 3.49Å; M379-E383 HydrophobicContact CB-CB 3.82Å; M379-E383 HydrophobicContact CG-CB 3.74Å; M379-E383 HydrophobicContact SD-CB 4.31Å; M379-L384 HydrophobicContact CB-CD2 3.85Å; M379-L384 HydrophobicContact CB-CG 3.67Å; M379-L384 HydrophobicContact SD-CD2 3.99Å; M379-C387 VanDerWaalsContact CE-SG 3.57Å; M379-C387 HydrophobicContact SD-CB 4.38Å; M379-L402 HydrophobicContact CE-CD2 3.73Å; M379-I411 HydrophobicContact CE-CG2 4.33Å; M379-S413 WeakPolarHBondContact CA-OG 3.43Å
380D94.9Very high95.1Very high73 Ų7339.9 Ų39.939%0.3920%0.203SC..  trans-77.7-176.8167.169.731.1000111.9D382 E383 L384D380-D382 VanDerWaalsContact C-N 3.31Å; D380-D382 PolarHBondContact O-N 3.36Å; D380-D382 PolarHBondContact OD1-N 3.38Å; D380-E383 PolarHBondContact N-OE2 3.1Å; D380-E383 PolarHBondContact OD1-N 3.45Å; D380-L384 WeakPolarHBondContact O-CB 3.41Å; D380-L384 VanDerWaalsContact O-CG 3.25Å; D380-L384 WeakPolarHBondContact O-CG 3.45Å; D380-L384 PolarHBondContact O-N 3.23Å
381K95.4Very high94.6Very high131 Ų13140.3 Ų40.357%0.5721%0.206SC*.Hα-helixtrans-62.7-38-177.7-174178.6177.6-175.40112.4L339 N385L339-K381 HydrophobicContact CD1-CB 4.36Å; L339-K381 HydrophobicContact CD2-CB 4.03Å; L339-K381 HydrophobicContact CD2-CG 4.01Å; K381-N385 WeakPolarHBondContact O-CB 3.01Å; K381-N385 PolarHBondContact O-N 2.94Å; K381-N385 VanDerWaalsContact O-N 3.08Å; K381-N385 PolarHBondContact O-ND2 2.99Å
382D94.3Very high94.1Very high121 Ų12147.8 Ų47.865%0.64724%0.241SC*.Hα-helixtrans-77.5-42.5-173.9-66.8-24.4000110.5D380 N385 K386D380-D382 VanDerWaalsContact C-N 3.31Å; D380-D382 PolarHBondContact O-N 3.36Å; D380-D382 PolarHBondContact OD1-N 3.38Å; D382-N385 PolarHBondContact O-N 3.18Å; D382-K386 WeakPolarHBondContact O-CB 3.49Å; D382-K386 PolarHBondContact O-N 2.81Å
383E94Very high93.6Very high26 Ų2652.5 Ų52.512%0.12127%0.274CS..Hα-helixtrans-59.4-46.9171.9-69.7-175.4125.900111.8M379 D380 N385 K386 C387 S412 S413M379-E383 VanDerWaalsContact CA-OE2 3.29Å; M379-E383 WeakPolarHBondContact CA-OE2 3.49Å; M379-E383 HydrophobicContact CB-CB 3.82Å; M379-E383 HydrophobicContact CG-CB 3.74Å; M379-E383 HydrophobicContact SD-CB 4.31Å; D380-E383 PolarHBondContact N-OE2 3.1Å; D380-E383 PolarHBondContact OD1-N 3.45Å; E383-N385 PolarHBondContact O-N 2.82Å; E383-K386 PolarHBondContact O-N 3.49Å; E383-C387 WeakPolarHBondContact O-CB 3.33Å; E383-C387 PolarHBondContact O-N 2.84Å; E383-S412 WeakPolarHBondContact OE1-CA 3.4Å; E383-S412 WeakPolarHBondContact OE1-CB 3.49Å; E383-S412 PolarHBondContact OE1-N 3.06Å; E383-S412 PolarHBondContact OE1-OG 2.68Å; E383-S413 PolarHBondContact OE1-N 3.4Å; E383-S413 VanDerWaalsContact OE1-N 3.17Å; E383-S413 PolarHBondContact OE1-OG 3.3Å; E383-S413 VanDerWaalsContact OE2-CB 3.23Å; E383-S413 WeakPolarHBondContact OE2-CB 3.32Å; E383-S413 PolarHBondContact OE2-OG 2.92Å
384L95.2Very high93.2Very high0 Ų056.2 Ų56.20%029%0.293CS..Hα-helixtrans-59.9-47.3178.2-79.2174.6000112L339 T342 R343 L346 I376 M379 D380 C387 L388L339-L384 HydrophobicContact CB-CD1 3.9Å; L339-L384 HydrophobicContact CD1-CD1 3.95Å; L339-L384 HydrophobicContact CG-CD1 4.35Å; T342-L384 HydrophobicContact CG2-CB 4.08Å; T342-L384 HydrophobicContact CG2-CD1 4.42Å; R343-L384 HydrophobicContact CG-CD1 3.68Å; R343-L384 HydrophobicContact CG-CD2 3.99Å; L346-L384 HydrophobicContact CD2-CD2 3.9Å; I376-L384 HydrophobicContact CG2-CD2 3.93Å; M379-L384 HydrophobicContact CB-CD2 3.85Å; M379-L384 HydrophobicContact CB-CG 3.67Å; M379-L384 HydrophobicContact SD-CD2 3.99Å; D380-L384 WeakPolarHBondContact O-CB 3.41Å; D380-L384 VanDerWaalsContact O-CG 3.25Å; D380-L384 WeakPolarHBondContact O-CG 3.45Å; D380-L384 PolarHBondContact O-N 3.23Å; L384-C387 PolarHBondContact O-N 2.87Å; L384-L388 VanDerWaalsContact O-CB 3.29Å; L384-L388 WeakPolarHBondContact O-CB 3.43Å; L384-L388 PolarHBondContact O-N 2.99Å
385N93Very high92.9Very high65 Ų6562.6 Ų62.635%0.34832%0.318SS..Hα-helixtrans-64-43.3180-72.4-27.5000111.2K381 D382 E383 L388 V389K381-N385 WeakPolarHBondContact O-CB 3.01Å; K381-N385 PolarHBondContact O-N 2.94Å; K381-N385 VanDerWaalsContact O-N 3.08Å; K381-N385 PolarHBondContact O-ND2 2.99Å; D382-N385 PolarHBondContact O-N 3.18Å; E383-N385 PolarHBondContact O-N 2.82Å; N385-L388 PolarHBondContact O-N 3.21Å; N385-V389 WeakPolarHBondContact O-CG2 3.11Å; N385-V389 PolarHBondContact O-N 3.05Å
386K92.5Very high92.6Very high142 Ų14268.1 Ų68.162%0.61735%0.352SS*.Hα-helixtrans-60.6-46.9175.9-176.6-178.3177-172.70111.3D382 E383 N390D382-K386 WeakPolarHBondContact O-CB 3.49Å; D382-K386 PolarHBondContact O-N 2.81Å; E383-K386 PolarHBondContact O-N 3.49Å; K386-N390 VanDerWaalsContact O-CB 3.29Å; K386-N390 WeakPolarHBondContact O-CB 3.43Å; K386-N390 PolarHBondContact O-N 2.66Å; K386-N390 PolarHBondContact O-ND2 2.9Å
387C92.8Very high92.4Very high21 Ų2172.7 Ų72.714%0.14238%0.375CS..Hα-helixtrans-63.8-40176.8-88.20000112.4L346 M379 E383 L384 N390 S391L346-C387 HydrophobicContact CD2-CB 3.84Å; M379-C387 VanDerWaalsContact CE-SG 3.57Å; M379-C387 HydrophobicContact SD-CB 4.38Å; E383-C387 WeakPolarHBondContact O-CB 3.33Å; E383-C387 PolarHBondContact O-N 2.84Å; L384-C387 PolarHBondContact O-N 2.87Å; C387-N390 PolarHBondContact O-N 2.84Å; C387-S391 VanDerWaalsContact O-CB 3.25Å; C387-S391 WeakPolarHBondContact O-CB 3.46Å; C387-S391 PolarHBondContact O-N 3.38Å; C387-S391 PolarHBondContact O-OG 3.39Å
388L91.7Very high92.2Very high24 Ų2470.5 Ų70.513%0.12637%0.366CS..Hα-helixtrans-63.1-51.1178.9-171.166.1000111.1T342 Q345 L346 T349 L384 N385 N390 S391T342-L388 HydrophobicContact CG2-CD2 4.32Å; Q345-L388 HydrophobicContact CG-CD1 4.18Å; L346-L388 HydrophobicContact CB-CD1 4.31Å; L346-L388 HydrophobicContact CD1-CD1 4.17Å; T349-L388 HydrophobicContact CG2-CD1 4.41Å; L384-L388 VanDerWaalsContact O-CB 3.29Å; L384-L388 WeakPolarHBondContact O-CB 3.43Å; L384-L388 PolarHBondContact O-N 2.99Å; N385-L388 PolarHBondContact O-N 3.21Å; L388-N390 PolarHBondContact O-N 3.18Å; L388-S391 PolarHBondContact O-N 3.39Å; L388-S391 PolarHBondContact O-OG 3.3Å
389V91.6Very high92Very high91 Ų9173.6 Ų73.655%0.55238%0.377SS*.Hα-helixtrans-59.5-46.9176.6172.30000111N385 S391 E392N385-V389 WeakPolarHBondContact O-CG2 3.11Å; N385-V389 PolarHBondContact O-N 3.05Å; V389-S391 VanDerWaalsContact C-N 3.25Å; V389-S391 PolarHBondContact O-N 2.86Å; V389-E392 WeakPolarHBondContact O-CB 3.32Å; V389-E392 PolarHBondContact O-N 3.48Å
390N90Very high91.8Very high60 Ų6077 Ų7732%0.32140%0.401SS..Hα-helixtrans-65.8-29.7179.8-70.6-14.5000112.6K386 C387 L388 E392 S393 N394 I398K386-N390 VanDerWaalsContact O-CB 3.29Å; K386-N390 WeakPolarHBondContact O-CB 3.43Å; K386-N390 PolarHBondContact O-N 2.66Å; K386-N390 PolarHBondContact O-ND2 2.9Å; C387-N390 PolarHBondContact O-N 2.84Å; L388-N390 PolarHBondContact O-N 3.18Å; N390-E392 PolarHBondContact O-N 3.36Å; N390-S393 PolarHBondContact O-N 2.94Å; N390-N394 WeakPolarHBondContact O-CA 3.44Å; N390-N394 WeakPolarHBondContact O-CB 3.37Å; N390-N394 PolarHBondContact O-N 3.23Å; N390-I398 HydrophobicContact CB-CD1 3.85Å; N390-I398 HydrophobicContact CB-CG1 4.07Å
391S87Confident91.7Very high8 Ų876.6 Ų76.66%0.05640%0.397CS..Hα-helixtrans-68.8-21.5179.475.30000113.3C387 L388 V389 R395C387-S391 VanDerWaalsContact O-CB 3.25Å; C387-S391 WeakPolarHBondContact O-CB 3.46Å; C387-S391 PolarHBondContact O-N 3.38Å; C387-S391 PolarHBondContact O-OG 3.39Å; L388-S391 PolarHBondContact O-N 3.39Å; L388-S391 PolarHBondContact O-OG 3.3Å; V389-S391 VanDerWaalsContact C-N 3.25Å; V389-S391 PolarHBondContact O-N 2.86Å; S391-R395 WeakPolarHBondContact O-CA 3.21Å; S391-R395 WeakPolarHBondContact O-CB 3.5Å; S391-R395 PolarHBondContact O-N 3Å
392E86Confident91.7Very high158 Ų15870.5 Ų70.574%0.73837%0.37SS*.Hα-helixtrans-67.2-37176.1-63.7-179.3171.700112V389 N390V389-E392 WeakPolarHBondContact O-CB 3.32Å; V389-E392 PolarHBondContact O-N 3.48Å; N390-E392 PolarHBondContact O-N 3.36Å
393S86.4Confident91.7Very high101 Ų10166 Ų6671%0.70635%0.348SS*.Hα-helixtrans-102.1-29.4-178.5-600000113.6N390N390-S393 PolarHBondContact O-N 2.94Å
394N90.4Very high91.7Very high79 Ų7966.4 Ų66.442%0.42235%0.354SS..Hα-helixtrans-130.436.1-168.8-69.5-45.9000113N390 T396 I397 I398N390-N394 WeakPolarHBondContact O-CA 3.44Å; N390-N394 WeakPolarHBondContact O-CB 3.37Å; N390-N394 PolarHBondContact O-N 3.23Å; N394-T396 VanDerWaalsContact C-N 3.26Å; N394-T396 PolarHBondContact O-N 2.98Å; N394-T396 VanDerWaalsContact O-N 3.08Å; N394-I397 HydrophobicContact CB-CB 4.32Å; N394-I397 HydrophobicContact CB-CD1 4.24Å; N394-I397 PolarHBondContact O-N 3.43Å; N394-I398 PolarHBondContact O-N 2.93Å
395R91.5Very high91.7Very high134 Ų13469.3 Ų69.351%0.50637%0.367SS..Hα-helixtrans-43-47.7-176.5-171.8-175.1177.6-153.62.1114.1T349 F350 S391 K399T349-R395 PolarHBondContact O-NE 2.74Å; T349-R395 PolarHBondContact O-NH2 3.15Å; F350-R395 HydrophobicContact CD1-CG 4.42Å; F350-R395 HydrophobicContact CE1-CG 4.19Å; S391-R395 WeakPolarHBondContact O-CA 3.21Å; S391-R395 WeakPolarHBondContact O-CB 3.5Å; S391-R395 PolarHBondContact O-N 3Å; R395-K399 WeakPolarHBondContact O-CB 3.21Å; R395-K399 PolarHBondContact O-N 3.46Å
396T91.3Very high91.6Very high118 Ų11873.1 Ų73.172%0.72438%0.382SS*.Hα-helixtrans-65.5-40.8-177.3-51.80000112.3N394 K399 S400N394-T396 VanDerWaalsContact C-N 3.26Å; N394-T396 PolarHBondContact O-N 2.98Å; N394-T396 VanDerWaalsContact O-N 3.08Å; T396-K399 PolarHBondContact O-N 2.87Å; T396-S400 WeakPolarHBondContact O-CB 3.45Å; T396-S400 PolarHBondContact O-N 3.4Å
397I91.4Very high91.6Very high95 Ų9568.4 Ų68.449%0.48736%0.362SS..Hα-helixtrans-66.9-48.6179.3-61.1174.3000109.4N394 K399 S400 Q401N394-I397 HydrophobicContact CB-CB 4.32Å; N394-I397 HydrophobicContact CB-CD1 4.24Å; N394-I397 PolarHBondContact O-N 3.43Å; I397-K399 VanDerWaalsContact C-N 3.33Å; I397-K399 PolarHBondContact O-N 3.19Å; I397-S400 WeakPolarHBondContact O-CB 3.38Å; I397-S400 PolarHBondContact O-N 3.24Å; I397-Q401 WeakPolarHBondContact O-CG 3.31Å; I397-Q401 PolarHBondContact O-N 3.24Å
398I92.8Very high91.4Very high9 Ų968.4 Ų68.45%0.04636%0.36CS..Hα-helixtrans-62.3-42.4178.4-57.2-56.3000110.6F350 N390 N394 S400 Q401 L402F350-I398 HydrophobicContact CE1-CG2 4.49Å; F350-I398 HydrophobicContact CZ-CB 4.32Å; F350-I398 HydrophobicContact CZ-CG2 3.76Å; N390-I398 HydrophobicContact CB-CD1 3.85Å; N390-I398 HydrophobicContact CB-CG1 4.07Å; N394-I398 PolarHBondContact O-N 2.93Å; I398-S400 VanDerWaalsContact C-N 3.34Å; I398-S400 PolarHBondContact O-N 3.49Å; I398-Q401 PolarHBondContact O-N 3.29Å; I398-L402 HydrophobicContact CG2-CD1 3.84Å; I398-L402 HydrophobicContact CG2-CG 4.25Å; I398-L402 WeakPolarHBondContact O-CB 3.5Å; I398-L402 VanDerWaalsContact O-CG 3.27Å; I398-L402 WeakPolarHBondContact O-CG 3.47Å; I398-L402 PolarHBondContact O-N 2.91Å
399K93.9Very high91.1Very high87 Ų8773 Ų7338%0.37838%0.379SS..Hα-helixtrans-58.9-46.7175.4-171.5173.6178.6173.50111F350 I372 R395 T396 I397 Q401 L402 S403F350-K399 HydrophobicContact CD1-CB 3.75Å; F350-K399 HydrophobicContact CD1-CD 4.11Å; F350-K399 HydrophobicContact CD1-CG 3.94Å; F350-K399 HydrophobicContact CE1-CB 3.74Å; F350-K399 HydrophobicContact CE1-CG 4.41Å; I372-K399 HydrophobicContact CD1-CG 4.41Å; R395-K399 WeakPolarHBondContact O-CB 3.21Å; R395-K399 PolarHBondContact O-N 3.46Å; T396-K399 PolarHBondContact O-N 2.87Å; I397-K399 VanDerWaalsContact C-N 3.33Å; I397-K399 PolarHBondContact O-N 3.19Å; K399-Q401 PolarHBondContact O-N 3.44Å; K399-L402 PolarHBondContact O-N 3.36Å; K399-S403 WeakPolarHBondContact O-CB 3.22Å; K399-S403 PolarHBondContact O-N 3.4Å; K399-S403 PolarHBondContact O-OG 2.9Å
400S92.8Very high90.6Very high74 Ų7475.8 Ų75.852%0.51739%0.386SS..Hα-helixtrans-58.5-46.4177.8-173.60000112.2T396 I397 I398 L402 S403 S404T396-S400 WeakPolarHBondContact O-CB 3.45Å; T396-S400 PolarHBondContact O-N 3.4Å; I397-S400 WeakPolarHBondContact O-CB 3.38Å; I397-S400 PolarHBondContact O-N 3.24Å; I398-S400 VanDerWaalsContact C-N 3.34Å; I398-S400 PolarHBondContact O-N 3.49Å; S400-L402 VanDerWaalsContact C-N 3.33Å; S400-L402 PolarHBondContact O-N 3.09Å; S400-S403 WeakPolarHBondContact CA-OG 3.21Å; S400-S403 PolarHBondContact O-N 2.65Å; S400-S403 PolarHBondContact O-OG 3.28Å; S400-S404 PolarHBondContact O-N 3.28Å
401Q92.5Very high90.4Very high65 Ų6573.7 Ų73.730%0.30438%0.375SS..Hα-helixtrans-61.1-40.3176.2-71.9-178.5-36.600112.4R375 I397 I398 K399 N408 E410R375-Q401 PolarHBondContact NH1-O 3.42Å; I397-Q401 WeakPolarHBondContact O-CG 3.31Å; I397-Q401 PolarHBondContact O-N 3.24Å; I398-Q401 PolarHBondContact O-N 3.29Å; K399-Q401 PolarHBondContact O-N 3.44Å; Q401-N408 PolarHBondContact O-ND2 2.82Å; Q401-E410 PolarHBondContact NE2-OE2 3.13Å
402L94.8Very high90.5Very high2 Ų277.8 Ų77.81%0.0140%0.404CS..Hα-helixtrans-77.6-25.2179.5-67.7176.6000113.5F350 I372 R375 I376 M379 I398 K399 S400 I411F350-L402 HydrophobicContact CD2-CD1 4.39Å; F350-L402 HydrophobicContact CE2-CD1 3.54Å; F350-L402 HydrophobicContact CZ-CD1 3.82Å; I372-L402 HydrophobicContact CB-CB 4.49Å; I372-L402 HydrophobicContact CG1-CB 4.05Å; I372-L402 HydrophobicContact CG2-CB 4.41Å; I372-L402 PolarHBondContact N-O 2.91Å; R375-L402 HydrophobicContact CB-CD2 3.8Å; R375-L402 WeakPolarHBondContact CD-O 3.34Å; R375-L402 PolarHBondContact NH1-O 3.4Å; I376-L402 HydrophobicContact CD1-CD1 4.08Å; I376-L402 HydrophobicContact CG1-CD1 4.08Å; M379-L402 HydrophobicContact CE-CD2 3.73Å; I398-L402 HydrophobicContact CG2-CD1 3.84Å; I398-L402 HydrophobicContact CG2-CG 4.25Å; I398-L402 WeakPolarHBondContact O-CB 3.5Å; I398-L402 VanDerWaalsContact O-CG 3.27Å; I398-L402 WeakPolarHBondContact O-CG 3.47Å; I398-L402 PolarHBondContact O-N 2.91Å; K399-L402 PolarHBondContact O-N 3.36Å; S400-L402 VanDerWaalsContact C-N 3.33Å; S400-L402 PolarHBondContact O-N 3.09Å; L402-I411 HydrophobicContact CD2-CD1 4.07Å
403S94.9Very high90.8Very high26 Ų2670.4 Ų70.418%0.18237%0.369CS..Hα-helixtrans-91.1-7.7175.258.20000114K399 S400 F405K399-S403 WeakPolarHBondContact O-CB 3.22Å; K399-S403 PolarHBondContact O-N 3.4Å; K399-S403 PolarHBondContact O-OG 2.9Å; S400-S403 WeakPolarHBondContact CA-OG 3.21Å; S400-S403 PolarHBondContact O-N 2.65Å; S400-S403 PolarHBondContact O-OG 3.28Å; S403-F405 WeakPolarHBondContact O-CD1 3.49Å; S403-F405 WeakPolarHBondContact O-CE1 3.49Å; S403-F405 PolarHBondContact O-N 3.5Å
404S93.3Very high91.2Very high35 Ų3565.7 Ų65.725%0.24534%0.336CS..  trans-57.5136.1-177.1176.50000111.7R375 S400 E406R375-S404 PolarHBondContact NH1-O 3.33Å; R375-S404 PolarHBondContact NH2-O 2.83Å; S400-S404 PolarHBondContact O-N 3.28Å; S404-E406 PolarHBondContact O-N 2.93Å; S404-E406 PolarHBondContact OG-N 3.37Å; S404-E406 VanDerWaalsContact OG-N 3.15Å
405F94.5Very high91.3Very high62 Ų6264.7 Ų64.727%0.27234%0.335SS..SBendtrans-89.217.1175-53.9-41.5000112.7I364 E365 T368 F371 S403 I474I364-F405 HydrophobicContact CD1-CB 3.65Å; I364-F405 HydrophobicContact CD1-CG 4.14Å; I364-F405 HydrophobicContact CG1-CB 3.92Å; I364-F405 HydrophobicContact CG1-CD1 3.91Å; I364-F405 HydrophobicContact CG1-CD2 4.43Å; I364-F405 HydrophobicContact CG1-CG 3.83Å; I364-F405 HydrophobicContact CG2-CD2 4.25Å; I364-F405 HydrophobicContact CG2-CG 4.46Å; I364-F405 WeakPolarHBondContact O-CE1 3.41Å; E365-F405 HydrophobicContact CG-CE2 4.27Å; T368-F405 WeakPolarHBondContact OG1-CZ 3.34Å; F371-F405 AromaticContact CD2-CD1 3.92Å; F371-F405 HydrophobicContact CD2-CD1 3.92Å; F371-F405 HydrophobicContact CD2-CE1 4.12Å; F371-F405 AromaticContact CE2-CD1 3.91Å; F371-F405 HydrophobicContact CE2-CD1 3.91Å; F371-F405 HydrophobicContact CE2-CE1 4.42Å; S403-F405 WeakPolarHBondContact O-CD1 3.49Å; S403-F405 WeakPolarHBondContact O-CE1 3.49Å; S403-F405 PolarHBondContact O-N 3.5Å; F405-I474 WeakPolarHBondContact O-CD1 3.02Å; F405-I474 WeakPolarHBondContact O-CG1 3.26Å
406E92.4Very high91.5Very high144 Ų14465.2 Ų65.267%0.67334%0.341SS*.SBendtrans-112.1157.5175.3-60.8177.5172.200110.1R375 S404 N408R375-E406 PolarHBondContact NH2-O 2.89Å; S404-E406 PolarHBondContact O-N 2.93Å; S404-E406 PolarHBondContact OG-N 3.37Å; S404-E406 VanDerWaalsContact OG-N 3.15Å; E406-N408 PolarHBondContact O-N 3.24Å
407F91.2Very high91.8Very high44 Ų4459.6 Ų59.619%0.19331%0.306CS..  trans-66.1116.1175.1-174.1-85.6000110.4K409 E414 L418 I474 S478F407-K409 HydrophobicContact CD1-CG 3.88Å; F407-K409 HydrophobicContact CE1-CG 3.96Å; F407-K409 PolarHBondContact O-N 3.4Å; F407-E414 HydrophobicContact CD1-CG 4.46Å; F407-E414 HydrophobicContact CD2-CG 3.84Å; F407-E414 HydrophobicContact CE1-CG 4.3Å; F407-E414 HydrophobicContact CE2-CB 4.3Å; F407-E414 HydrophobicContact CE2-CG 3.66Å; F407-E414 HydrophobicContact CG-CG 4.24Å; F407-E414 HydrophobicContact CZ-CB 4.15Å; F407-E414 HydrophobicContact CZ-CG 3.9Å; F407-L418 HydrophobicContact CD2-CD1 3.8Å; F407-L418 HydrophobicContact CE2-CD1 4.2Å; F407-I474 HydrophobicContact CB-CG2 4.02Å; F407-S478 WeakPolarHBondContact CD2-OG 3.09Å
408N88Confident92.1Very high20 Ų2055.1 Ų55.111%0.10728%0.283CS..  trans-92.6100.5-177.3-167.8-24.3000112.1Q401 E406 E410 I411 E414Q401-N408 PolarHBondContact O-ND2 2.82Å; E406-N408 PolarHBondContact O-N 3.24Å; N408-E410 PolarHBondContact O-N 3.11Å; N408-E410 WeakPolarHBondContact OD1-CB 3.49Å; N408-E410 PolarHBondContact OD1-N 3.14Å; N408-I411 HydrophobicContact CB-CB 4.5Å; N408-I411 HydrophobicContact CB-CD1 3.97Å; N408-I411 HydrophobicContact CB-CG1 4.17Å; N408-I411 PolarHBondContact O-N 2.92Å; N408-E414 PolarHBondContact N-OE1 3.2Å; N408-E414 WeakPolarHBondContact O-CB 3.25Å
409K86Confident92.2Very high121 Ų12156.9 Ų56.953%0.52630%0.297SS..THydrogen-bonded Turntrans-66.3-18.4178.3-62.7-179.2-177.1176.10114.1F407 I411F407-K409 HydrophobicContact CD1-CG 3.88Å; F407-K409 HydrophobicContact CE1-CG 3.96Å; F407-K409 PolarHBondContact O-N 3.4Å; K409-I411 VanDerWaalsContact C-N 3.3Å
410E82.3Confident92.4Very high149 Ų14954.3 Ų54.370%0.69629%0.285SS*.THydrogen-bonded Turntrans-78.8-17.6178.2-56-171.7155.900112.5Q401 N408Q401-E410 PolarHBondContact NE2-OE2 3.13Å; N408-E410 PolarHBondContact O-N 3.11Å; N408-E410 WeakPolarHBondContact OD1-CB 3.49Å; N408-E410 PolarHBondContact OD1-N 3.14Å
411I85.1Confident92.7Very high16 Ų1650.9 Ų50.98%0.08226%0.261CS..  trans-94.5106.7176.1-58.1176.4000107.4R375 M379 L402 N408 K409 S413 E414R375-I411 HydrophobicContact CG-CD1 4.19Å; M379-I411 HydrophobicContact CE-CG2 4.33Å; L402-I411 HydrophobicContact CD2-CD1 4.07Å; N408-I411 HydrophobicContact CB-CB 4.5Å; N408-I411 HydrophobicContact CB-CD1 3.97Å; N408-I411 HydrophobicContact CB-CG1 4.17Å; N408-I411 PolarHBondContact O-N 2.92Å; K409-I411 VanDerWaalsContact C-N 3.3Å; I411-S413 WeakPolarHBondContact CG2-OG 3.43Å; I411-S413 PolarHBondContact O-N 2.93Å; I411-E414 HydrophobicContact CB-CB 4.19Å; I411-E414 HydrophobicContact CG2-CB 4.36Å; I411-E414 WeakPolarHBondContact O-CB 3.4Å; I411-E414 PolarHBondContact O-N 2.91Å
412S88.1Confident92.9Very high95 Ų9548.1 Ų48.166%0.66425%0.248SC*.THydrogen-bonded Turntrans-64.5-26.2-178.675.40000112.2E383E383-S412 WeakPolarHBondContact OE1-CA 3.4Å; E383-S412 WeakPolarHBondContact OE1-CB 3.49Å; E383-S412 PolarHBondContact OE1-N 3.06Å; E383-S412 PolarHBondContact OE1-OG 2.68Å
413S92.6Very high93.1Very high2 Ų252.2 Ų52.21%0.01427%0.27CS..THydrogen-bonded Turntrans-85.97.5174.250.70000115S378 M379 E383 I411 C415 K416 A417S378-S413 VanDerWaalsContact O-CB 3.29Å; S378-S413 WeakPolarHBondContact O-CB 3.37Å; M379-S413 WeakPolarHBondContact CA-OG 3.43Å; E383-S413 PolarHBondContact OE1-N 3.4Å; E383-S413 VanDerWaalsContact OE1-N 3.17Å; E383-S413 PolarHBondContact OE1-OG 3.3Å; E383-S413 VanDerWaalsContact OE2-CB 3.23Å; E383-S413 WeakPolarHBondContact OE2-CB 3.32Å; E383-S413 PolarHBondContact OE2-OG 2.92Å; I411-S413 WeakPolarHBondContact CG2-OG 3.43Å; I411-S413 PolarHBondContact O-N 2.93Å; S413-C415 PolarHBondContact O-N 3.5Å; S413-K416 WeakPolarHBondContact O-CA 3.48Å; S413-K416 WeakPolarHBondContact O-CB 3.44Å; S413-K416 PolarHBondContact O-N 3.34Å; S413-A417 PolarHBondContact O-N 3.23Å
414E94.6Very high93.2Very high2 Ų254.1 Ų54.11%0.00927%0.273CS..Hα-helixtrans-57.2-49-174.9-175.472.3166.200112.8R375 F407 N408 I411 K416 A417 L418R375-E414 IonicContact CZ-OE1 2.93Å; R375-E414 IonicContact CZ-OE2 3.9Å; R375-E414 IonicContact NE-OE1 3.27Å; R375-E414 PolarHBondContact NE-OE1 2.85Å; R375-E414 IonicContact NE-OE2 3.18Å; R375-E414 PolarHBondContact NE-OE2 3.18Å; R375-E414 IonicContact NH2-OE1 2.68Å; R375-E414 PolarHBondContact NH2-OE1 3.07Å; R375-E414 IonicContact NH2-OE2 3.36Å; F407-E414 HydrophobicContact CD1-CG 4.46Å; F407-E414 HydrophobicContact CD2-CG 3.84Å; F407-E414 HydrophobicContact CE1-CG 4.3Å; F407-E414 HydrophobicContact CE2-CB 4.3Å; F407-E414 HydrophobicContact CE2-CG 3.66Å; F407-E414 HydrophobicContact CG-CG 4.24Å; F407-E414 HydrophobicContact CZ-CB 4.15Å; F407-E414 HydrophobicContact CZ-CG 3.9Å; N408-E414 PolarHBondContact N-OE1 3.2Å; N408-E414 WeakPolarHBondContact O-CB 3.25Å; I411-E414 HydrophobicContact CB-CB 4.19Å; I411-E414 HydrophobicContact CG2-CB 4.36Å; I411-E414 WeakPolarHBondContact O-CB 3.4Å; I411-E414 PolarHBondContact O-N 2.91Å; E414-K416 PolarHBondContact O-N 3.48Å; E414-A417 WeakPolarHBondContact O-CB 3.09Å; E414-A417 PolarHBondContact O-N 3.4Å; E414-L418 HydrophobicContact CG-CD1 4.34Å; E414-L418 PolarHBondContact O-N 3.4Å
415C93.6Very high93.5Very high58 Ų5852.4 Ų52.439%0.39226%0.262SS..Hα-helixtrans-58.9-36177.2-67.30000112.3S413 S419S413-C415 PolarHBondContact O-N 3.5Å; C415-S419 WeakPolarHBondContact O-CB 3.34Å; C415-S419 PolarHBondContact O-N 3Å; C415-S419 PolarHBondContact O-OG 3.2Å
416K95.6Very high93.6Very high146 Ų14654.7 Ų54.764%0.63527%0.271SS*.Hα-helixtrans-68.6-39.1176.2-64.9176.7-177.9168.20110.8S413 E414 F420S413-K416 WeakPolarHBondContact O-CA 3.48Å; S413-K416 WeakPolarHBondContact O-CB 3.44Å; S413-K416 PolarHBondContact O-N 3.34Å; E414-K416 PolarHBondContact O-N 3.48Å; K416-F420 VanDerWaalsContact O-CB 3.28Å; K416-F420 WeakPolarHBondContact O-CB 3.36Å; K416-F420 PolarHBondContact O-N 2.85Å
417A97Very high93.9Very high0 Ų053.6 Ų53.60%027%0.27CS..Hα-helixtrans-63.8-50.4177.500000112.3S374 R375 S378 S413 E414 S419 F420 M421S374-A417 WeakPolarHBondContact O-CB 3.38Å; R375-A417 HydrophobicContact CG-CB 4.01Å; S378-A417 WeakPolarHBondContact OG-CA 3.35Å; S378-A417 PolarHBondContact OG-N 2.93Å; S413-A417 PolarHBondContact O-N 3.23Å; E414-A417 WeakPolarHBondContact O-CB 3.09Å; E414-A417 PolarHBondContact O-N 3.4Å; A417-S419 PolarHBondContact O-N 2.64Å; A417-F420 WeakPolarHBondContact O-CB 3.31Å; A417-F420 PolarHBondContact O-N 2.99Å; A417-M421 WeakPolarHBondContact O-CG 3.48Å; A417-M421 PolarHBondContact O-N 3.33Å
418L97.3Very high94.1Very high0 Ų054.1 Ų54.10%027%0.274CS..Hα-helixtrans-65.6-41178.8-57.2-178.4000111.4F371 F407 E414 F420 M421 I422 I471 I474 M475F371-L418 HydrophobicContact CD1-CD2 4.21Å; F371-L418 HydrophobicContact CE1-CD2 3.6Å; F407-L418 HydrophobicContact CD2-CD1 3.8Å; F407-L418 HydrophobicContact CE2-CD1 4.2Å; E414-L418 HydrophobicContact CG-CD1 4.34Å; E414-L418 PolarHBondContact O-N 3.4Å; L418-F420 VanDerWaalsContact C-N 3.33Å; L418-F420 PolarHBondContact O-N 3.21Å; L418-M421 HydrophobicContact CD2-SD 4.2Å; L418-M421 WeakPolarHBondContact O-CB 3.41Å; L418-M421 PolarHBondContact O-N 3.27Å; L418-I422 PolarHBondContact O-N 3.14Å; L418-I471 HydrophobicContact CB-CG2 3.97Å; L418-I471 HydrophobicContact CD2-CG2 4.12Å; L418-I474 HydrophobicContact CD1-CG2 4.15Å; L418-M475 HydrophobicContact CB-CG 3.9Å; L418-M475 HydrophobicContact CB-SD 3.73Å; L418-M475 HydrophobicContact CD1-CG 3.62Å; L418-M475 HydrophobicContact CG-CG 4.41Å
419S96.8Very high94.6Very high47 Ų4754.8 Ų54.833%0.32928%0.277SS..Hα-helixtrans-61.7-40.5174-61.90000112.1C415 A417 M421 N423C415-S419 WeakPolarHBondContact O-CB 3.34Å; C415-S419 PolarHBondContact O-N 3Å; C415-S419 PolarHBondContact O-OG 3.2Å; A417-S419 PolarHBondContact O-N 2.64Å; S419-M421 VanDerWaalsContact C-N 3.34Å; S419-N423 VanDerWaalsContact O-CB 3.25Å; S419-N423 WeakPolarHBondContact O-CB 3.44Å; S419-N423 PolarHBondContact O-N 3.28Å; S419-N423 PolarHBondContact O-ND2 3.41Å; S419-N423 VanDerWaalsContact O-ND2 3.15Å
420F97.5Very high95.1Very high33 Ų3352.5 Ų52.515%0.14528%0.281CS..Hα-helixtrans-60-45174166.2-94.3000111.1F370 F373 S374 F377 K416 A417 L418 N423 R424F370-F420 HydrophobicContact CE2-CE1 4.08Å; F373-F420 HydrophobicContact CD1-CE1 4.14Å; F373-F420 AromaticContact CE1-CE1 3.98Å; F373-F420 HydrophobicContact CE1-CE1 3.98Å; F373-F420 AromaticContact CE1-CZ 3.96Å; F373-F420 HydrophobicContact CE1-CZ 3.96Å; S374-F420 WeakPolarHBondContact OG-CD1 3.18Å; F377-F420 HydrophobicContact CD1-CD1 4.36Å; F377-F420 AromaticContact CD1-CD2 3.82Å; F377-F420 HydrophobicContact CD1-CD2 3.82Å; F377-F420 HydrophobicContact CD1-CE1 4.23Å; F377-F420 AromaticContact CD1-CE2 3.67Å; F377-F420 HydrophobicContact CD1-CE2 3.67Å; F377-F420 HydrophobicContact CD1-CG 4.16Å; F377-F420 AromaticContact CD1-CZ 3.89Å; F377-F420 HydrophobicContact CD1-CZ 3.89Å; F377-F420 AromaticContact CE1-CD2 3.67Å; F377-F420 HydrophobicContact CE1-CD2 3.67Å; F377-F420 AromaticContact CE1-CE2 3.4Å; F377-F420 HydrophobicContact CE1-CE2 3.4Å; F377-F420 VanDerWaalsContact CE1-CE2 3.4Å; F377-F420 HydrophobicContact CE1-CG 4.44Å; F377-F420 HydrophobicContact CE1-CZ 4.01Å; F377-F420 HydrophobicContact CG-CZ 4.5Å; F377-F420 HydrophobicContact CZ-CE2 4.19Å; K416-F420 VanDerWaalsContact O-CB 3.28Å; K416-F420 WeakPolarHBondContact O-CB 3.36Å; K416-F420 PolarHBondContact O-N 2.85Å; A417-F420 WeakPolarHBondContact O-CB 3.31Å; A417-F420 PolarHBondContact O-N 2.99Å; L418-F420 VanDerWaalsContact C-N 3.33Å; L418-F420 PolarHBondContact O-N 3.21Å; F420-N423 PolarHBondContact O-N 2.93Å; F420-R424 VanDerWaalsContact O-CB 3.22Å; F420-R424 WeakPolarHBondContact O-CB 3.18Å; F420-R424 PolarHBondContact O-N 3.29Å
421M98.1Very high95.7Very high1 Ų147.9 Ų47.91%0.00527%0.268CS..Hα-helixtrans-60.1-52.9178.6-66.6171.175.900111.3M367 F370 F371 S374 A417 L418 S419 N423 R424 L425 I471M367-M421 HydrophobicContact CE-CE 3.97Å; F370-M421 HydrophobicContact CB-CE 4.14Å; F370-M421 HydrophobicContact CD1-CE 3.5Å; F370-M421 HydrophobicContact CD1-CG 4.36Å; F370-M421 HydrophobicContact CD2-CE 4.3Å; F370-M421 HydrophobicContact CD2-CG 4.13Å; F370-M421 HydrophobicContact CE1-CB 3.86Å; F370-M421 HydrophobicContact CE1-CE 3.93Å; F370-M421 HydrophobicContact CE1-CG 4.01Å; F370-M421 HydrophobicContact CE2-CB 4.25Å; F370-M421 HydrophobicContact CE2-CG 3.79Å; F370-M421 HydrophobicContact CG-CE 3.72Å; F370-M421 HydrophobicContact CG-CG 4.43Å; F370-M421 HydrophobicContact CZ-CB 3.7Å; F370-M421 HydrophobicContact CZ-CG 3.74Å; F371-M421 HydrophobicContact CD1-CE 4.07Å; F371-M421 HydrophobicContact CD1-SD 3.97Å; F371-M421 HydrophobicContact CD2-CE 3.75Å; F371-M421 HydrophobicContact CE1-CE 4.11Å; F371-M421 HydrophobicContact CE1-SD 4.09Å; F371-M421 HydrophobicContact CE2-CE 3.78Å; F371-M421 HydrophobicContact CG-CE 3.88Å; F371-M421 HydrophobicContact CG-SD 4.27Å; F371-M421 HydrophobicContact CZ-CE 3.95Å; F371-M421 HydrophobicContact CZ-SD 4.47Å; S374-M421 VanDerWaalsContact CB-CG 3.42Å; S374-M421 WeakPolarHBondContact OG-CG 3.46Å; A417-M421 WeakPolarHBondContact O-CG 3.48Å; A417-M421 PolarHBondContact O-N 3.33Å; L418-M421 HydrophobicContact CD2-SD 4.2Å; L418-M421 WeakPolarHBondContact O-CB 3.41Å; L418-M421 PolarHBondContact O-N 3.27Å; S419-M421 VanDerWaalsContact C-N 3.34Å; M421-N423 PolarHBondContact O-N 2.81Å; M421-R424 WeakPolarHBondContact O-CB 3.13Å; M421-R424 PolarHBondContact O-N 2.62Å; M421-L425 WeakPolarHBondContact O-CG 3.33Å; M421-L425 PolarHBondContact O-N 3.28Å; M421-I471 HydrophobicContact CB-CD1 3.6Å; M421-I471 HydrophobicContact CE-CD1 3.99Å; M421-I471 HydrophobicContact CE-CG1 4.13Å
422I98.2Very high96.2Very high7 Ų747.6 Ų47.64%0.03627%0.266CS..Hα-helixtrans-58.6-49.1179.2-68.8176.6000110.9L418 R424 L425 K426 I468 I471 Q472 M475L418-I422 PolarHBondContact O-N 3.14Å; I422-R424 VanDerWaalsContact C-N 3.3Å; I422-R424 PolarHBondContact O-N 2.66Å; I422-L425 PolarHBondContact O-N 3.48Å; I422-K426 HydrophobicContact CG2-CD 3.9Å; I422-K426 HydrophobicContact CG2-CG 4.34Å; I422-K426 WeakPolarHBondContact O-CB 3.16Å; I422-K426 WeakPolarHBondContact O-CG 3.37Å; I422-K426 PolarHBondContact O-N 3.47Å; I422-I468 HydrophobicContact CG2-CG2 4.2Å; I422-I471 HydrophobicContact CD1-CB 4.3Å; I422-I471 HydrophobicContact CD1-CG2 3.87Å; I422-I471 HydrophobicContact CG1-CB 3.97Å; I422-I471 HydrophobicContact CG1-CD1 4.25Å; I422-I471 HydrophobicContact CG1-CG2 3.69Å; I422-Q472 HydrophobicContact CD1-CB 4.46Å; I422-M475 HydrophobicContact CD1-SD 3.59Å; I422-M475 VanDerWaalsContact CD1-SD 3.59Å
423N98.1Very high96.4Very high88 Ų8845.6 Ų45.647%0.47126%0.261SS..Hα-helixtrans-63.4-38.2-178.8-71.7-25.5000111.6S419 F420 M421 K426 L427S419-N423 VanDerWaalsContact O-CB 3.25Å; S419-N423 WeakPolarHBondContact O-CB 3.44Å; S419-N423 PolarHBondContact O-N 3.28Å; S419-N423 PolarHBondContact O-ND2 3.41Å; S419-N423 VanDerWaalsContact O-ND2 3.15Å; F420-N423 PolarHBondContact O-N 2.93Å; M421-N423 PolarHBondContact O-N 2.81Å; N423-K426 PolarHBondContact O-N 3.05Å; N423-L427 WeakPolarHBondContact O-CB 3.31Å; N423-L427 VanDerWaalsContact O-CG 3.24Å; N423-L427 WeakPolarHBondContact O-CG 3.39Å; N423-L427 PolarHBondContact O-N 3.46Å
424R97.7Very high96.2Very high66 Ų6652 Ų5225%0.24930%0.3CS..Hα-helixtrans-61.3-47.9174.8175.656.963.7109.43.8111.6L331 F370 F420 M421 I422 L427 L428L331-R424 HydrophobicContact CD2-CG 4.08Å; F370-R424 HydrophobicContact CZ-CB 4.28Å; F370-R424 HydrophobicContact CZ-CG 4.26Å; F420-R424 VanDerWaalsContact O-CB 3.22Å; F420-R424 WeakPolarHBondContact O-CB 3.18Å; F420-R424 PolarHBondContact O-N 3.29Å; M421-R424 WeakPolarHBondContact O-CB 3.13Å; M421-R424 PolarHBondContact O-N 2.62Å; I422-R424 VanDerWaalsContact C-N 3.3Å; I422-R424 PolarHBondContact O-N 2.66Å; R424-L427 PolarHBondContact O-N 3.48Å; R424-L428 WeakPolarHBondContact O-CG 3.3Å; R424-L428 PolarHBondContact O-N 3.22Å
425L98.1Very high96Very high0 Ų053.6 Ų53.60%031%0.308CS..Hα-helixtrans-66.2-39.5179.7-61.8179.5000111.5I329 L360 M367 F370 M421 I422 L427 L428 I429 L464 I468 I471I329-L425 HydrophobicContact CD1-CD2 4.25Å; L360-L425 HydrophobicContact CD1-CD2 3.84Å; M367-L425 HydrophobicContact CE-CD1 4.28Å; F370-L425 HydrophobicContact CE1-CD1 4.05Å; F370-L425 HydrophobicContact CE1-CD2 3.8Å; F370-L425 HydrophobicContact CE1-CG 3.89Å; F370-L425 HydrophobicContact CZ-CD2 4.3Å; F370-L425 HydrophobicContact CZ-CG 4.33Å; M421-L425 WeakPolarHBondContact O-CG 3.33Å; M421-L425 PolarHBondContact O-N 3.28Å; I422-L425 PolarHBondContact O-N 3.48Å; L425-L427 VanDerWaalsContact C-N 3.34Å; L425-L427 PolarHBondContact O-N 2.91Å; L425-L428 HydrophobicContact CD2-CD1 4.34Å; L425-L428 WeakPolarHBondContact O-CB 3.38Å; L425-L428 PolarHBondContact O-N 3.07Å; L425-I429 WeakPolarHBondContact O-CG1 3.32Å; L425-I429 PolarHBondContact O-N 2.91Å; L425-L464 HydrophobicContact CD2-CD2 3.64Å; L425-I468 HydrophobicContact CB-CD1 3.74Å; L425-I468 HydrophobicContact CB-CG1 3.54Å; L425-I468 HydrophobicContact CD1-CG1 3.72Å; L425-I468 HydrophobicContact CG-CG1 4.29Å; L425-I471 HydrophobicContact CD1-CD1 3.87Å
426K98Very high95.9Very high109 Ų10952.6 Ų52.647%0.47430%0.299SS..Hα-helixtrans-60.4-41.3173.3-74.5178.6177.4173.30112.3I422 N423 I429 A430 I468I422-K426 HydrophobicContact CG2-CD 3.9Å; I422-K426 HydrophobicContact CG2-CG 4.34Å; I422-K426 WeakPolarHBondContact O-CB 3.16Å; I422-K426 WeakPolarHBondContact O-CG 3.37Å; I422-K426 PolarHBondContact O-N 3.47Å; N423-K426 PolarHBondContact O-N 3.05Å; K426-I429 PolarHBondContact O-N 3.4Å; K426-A430 WeakPolarHBondContact O-CB 3.3Å; K426-A430 PolarHBondContact O-N 3.27Å; K426-I468 HydrophobicContact CG-CD1 3.85Å
427L97Very high95.5Very high121 Ų12150.6 Ų50.663%0.63429%0.294SS*.Hα-helixtrans-63.8-39.9174.9-73.7169.6000112.1N423 R424 L425 A430 A431N423-L427 WeakPolarHBondContact O-CB 3.31Å; N423-L427 VanDerWaalsContact O-CG 3.24Å; N423-L427 WeakPolarHBondContact O-CG 3.39Å; N423-L427 PolarHBondContact O-N 3.46Å; R424-L427 PolarHBondContact O-N 3.48Å; L425-L427 VanDerWaalsContact C-N 3.34Å; L425-L427 PolarHBondContact O-N 2.91Å; L427-A430 PolarHBondContact O-N 2.89Å; L427-A431 PolarHBondContact O-N 3.4Å
428L96.6Very high95.1Very high55 Ų5556.2 Ų56.229%0.28832%0.321SS..Hα-helixtrans-62.9-47.3174.4-69.7174.4000111.1I329 R424 L425 A430 A431 Y432 L464I329-L428 HydrophobicContact CB-CD1 4.17Å; I329-L428 HydrophobicContact CG2-CD1 3.68Å; R424-L428 WeakPolarHBondContact O-CG 3.3Å; R424-L428 PolarHBondContact O-N 3.22Å; L425-L428 HydrophobicContact CD2-CD1 4.34Å; L425-L428 WeakPolarHBondContact O-CB 3.38Å; L425-L428 PolarHBondContact O-N 3.07Å; L428-A430 VanDerWaalsContact C-N 3.31Å; L428-A430 PolarHBondContact O-N 3.13Å; L428-A431 WeakPolarHBondContact O-CB 3.35Å; L428-A431 PolarHBondContact O-N 2.81Å; L428-A431 VanDerWaalsContact O-N 3.1Å; L428-Y432 WeakPolarHBondContact O-CD2 3.37Å; L428-L464 HydrophobicContact CB-CD1 3.92Å; L428-L464 HydrophobicContact CB-CD2 4.4Å; L428-L464 HydrophobicContact CD1-CD2 4.02Å
429I97.6Very high94.7Very high34 Ų3462.6 Ų62.617%0.17436%0.355CS..Hα-helixtrans-57.4-44.6176.5-67.7168.6000110.9L425 K426 A431 Y432 I461 L464 R465 I468L425-I429 WeakPolarHBondContact O-CG1 3.32Å; L425-I429 PolarHBondContact O-N 2.91Å; K426-I429 PolarHBondContact O-N 3.4Å; I429-A431 PolarHBondContact O-N 2.87Å; I429-Y432 PolarHBondContact O-N 2.84Å; I429-I461 HydrophobicContact CG2-CG2 4.45Å; I429-L464 HydrophobicContact CD1-CB 3.84Å; I429-L464 HydrophobicContact CG1-CB 3.67Å; I429-L464 HydrophobicContact CG1-CD1 3.74Å; I429-L464 HydrophobicContact CG1-CG 4.35Å; I429-R465 HydrophobicContact CD1-CG 3.88Å; I429-I468 HydrophobicContact CD1-CD1 3.64Å
430A96.7Very high94.4Very high73 Ų7361.1 Ų61.160%0.60335%0.345SS*.Hα-helixtrans-60.5-28.9179.400000113.2K426 L427 L428 Y432 G433K426-A430 WeakPolarHBondContact O-CB 3.3Å; K426-A430 PolarHBondContact O-N 3.27Å; L427-A430 PolarHBondContact O-N 2.89Å; L428-A430 VanDerWaalsContact C-N 3.31Å; L428-A430 PolarHBondContact O-N 3.13Å; A430-Y432 VanDerWaalsContact C-N 3.28Å; A430-Y432 PolarHBondContact O-N 3.46Å; A430-G433 PolarHBondContact O-N 3.46Å
431A95.5Very high94.2Very high52 Ų5264 Ų6443%0.4337%0.367SS..Hα-helixtrans-68.4-24179.900000113.8G190 L427 L428 I429 G433G190-A431 WeakPolarHBondContact CA-O 3.38Å; L427-A431 PolarHBondContact O-N 3.4Å; L428-A431 WeakPolarHBondContact O-CB 3.35Å; L428-A431 PolarHBondContact O-N 2.81Å; L428-A431 VanDerWaalsContact O-N 3.1Å; I429-A431 PolarHBondContact O-N 2.87Å; A431-G433 VanDerWaalsContact C-N 3.31Å
432Y95.7Very high93.9Very high11 Ų1169 Ų694%0.04339%0.39CS..THydrogen-bonded Turntrans-73.9-21.1177.3-72.4-95.4000113.4K189 P192 L428 I429 A430 K457 E460 I461 L464K189-Y432 WeakPolarHBondContact O-CA 3.4Å; P192-Y432 WeakPolarHBondContact CD-OH 3.46Å; L428-Y432 WeakPolarHBondContact O-CD2 3.37Å; I429-Y432 PolarHBondContact O-N 2.84Å; A430-Y432 VanDerWaalsContact C-N 3.28Å; A430-Y432 PolarHBondContact O-N 3.46Å; Y432-K457 HydrophobicContact CD1-CB 3.96Å; Y432-K457 HydrophobicContact CD1-CD 3.92Å; Y432-K457 HydrophobicContact CD1-CG 3.74Å; Y432-K457 HydrophobicContact CE1-CB 4.27Å; Y432-K457 HydrophobicContact CE1-CG 4.03Å; Y432-E460 HydrophobicContact CE1-CB 4.2Å; Y432-E460 VanDerWaalsContact CE1-OE2 3.24Å; Y432-E460 WeakPolarHBondContact CE1-OE2 3.32Å; Y432-E460 WeakPolarHBondContact OH-CB 3.11Å; Y432-E460 PolarHBondContact OH-OE2 2.96Å; Y432-I461 HydrophobicContact CD1-CD1 4.12Å; Y432-I461 HydrophobicContact CD1-CG1 4.32Å; Y432-I461 HydrophobicContact CD2-CD1 4.16Å; Y432-I461 HydrophobicContact CD2-CG1 3.93Å; Y432-I461 HydrophobicContact CE2-CG1 4.33Å; Y432-I461 HydrophobicContact CG-CD1 3.72Å; Y432-I461 HydrophobicContact CG-CG1 3.95Å; Y432-L464 HydrophobicContact CE2-CD1 3.98Å
433G91.7Very high93.7Very high53 Ų5369.6 Ų69.655%0.54639%0.392SS..  trans70-144.8-175.900000113A430 A431A430-G433 PolarHBondContact O-N 3.46Å; A431-G433 VanDerWaalsContact C-N 3.31Å
434T89.1Confident93.3Very high135 Ų13571.3 Ų71.383%0.82840%0.401SS*.PPolyproline II helixtrans-83.5131.9-178.7-54.80000110
435L89.9Confident93.1Very high36 Ų3675.8 Ų75.819%0.18842%0.424CS..PPolyproline II helixtrans-87.3140.3173.1-76172.3000110.5K457 I461L435-K457 HydrophobicContact CD2-CB 3.63Å; L435-K457 HydrophobicContact CD2-CD 4.45Å; L435-I461 HydrophobicContact CD1-CB 4.4Å; L435-I461 HydrophobicContact CD1-CD1 3.45Å; L435-I461 VanDerWaalsContact CD1-CD1 3.45Å; L435-I461 HydrophobicContact CD1-CG2 4.33Å; L435-I461 HydrophobicContact CD2-CD1 3.82Å; L435-I461 HydrophobicContact CG-CD1 3.69Å
436L91.5Very high93Very high37 Ų3777.1 Ų77.119%0.19443%0.431CS..PPolyproline II helixtrans-87.1130.9171.8-166.372.1000110.4S440 E442 W443 L446 E454 H458L436-S440 WeakPolarHBondContact CD1-OG 3.39Å; L436-S440 WeakPolarHBondContact CG-OG 3.36Å; L436-E442 HydrophobicContact CD1-CB 3.78Å; L436-E442 HydrophobicContact CD1-CG 4.45Å; L436-E442 HydrophobicContact CD2-CB 4.08Å; L436-W443 HydrophobicContact CD2-CB 4.21Å; L436-W443 HydrophobicContact CD2-CE3 4.16Å; L436-L446 HydrophobicContact CD2-CD1 3.58Å; L436-L446 HydrophobicContact CD2-CG 4.18Å; L436-E454 HydrophobicContact CB-CG 4.15Å; L436-E454 PolarHBondContact N-OE2 3.22Å; L436-H458 PolarHBondContact O-CE1 3.13Å; L436-H458 PolarHBondContact O-NE2 3.39Å
437L88.1Confident92.8Very high104 Ų10475 Ų7555%0.54543%0.428SS..PPolyproline II helixtrans-82143.8177.7-58.5174.6000110.8D439 S440L437-D439 WeakPolarHBondContact CB-OD1 3.25Å; L437-D439 PolarHBondContact O-N 3.48Å; L437-S440 VanDerWaalsContact O-CB 3.28Å; L437-S440 WeakPolarHBondContact O-CB 3.44Å; L437-S440 PolarHBondContact O-N 2.91Å; L437-S440 PolarHBondContact O-OG 3.5Å
438E87.7Confident92.6Very high118 Ų11872.8 Ų72.855%0.55142%0.422SS*.THydrogen-bonded Turntrans-61.8-24-177-64.6-172.2-138.800113.8W443 L455E438-W443 HydrophobicContact CB-CD2 4.26Å; E438-W443 HydrophobicContact CB-CZ2 4.32Å; E438-W443 HydrophobicContact CG-CD2 4.35Å; E438-W443 HydrophobicContact CG-CE3 4.29Å; E438-W443 HydrophobicContact CG-CH2 3.69Å; E438-W443 HydrophobicContact CG-CZ2 3.74Å; E438-W443 HydrophobicContact CG-CZ3 3.95Å; E438-W443 VanDerWaalsContact O-CG 3.25Å; E438-L455 HydrophobicContact CG-CD2 4.14Å; E438-L455 WeakPolarHBondContact OE1-CD2 3.33Å
439D88.2Confident92.5Very high135 Ų13571.3 Ų71.372%0.72242%0.416SS*.THydrogen-bonded Turntrans-92.91.1179.260.1-16.3000113.5L437L437-D439 WeakPolarHBondContact CB-OD1 3.25Å; L437-D439 PolarHBondContact O-N 3.48Å
440S91.5Very high92.5Very high16 Ų1671 Ų7111%0.11241%0.414CS..SBendtrans-72.7148.1178.767.50000112.3L436 L437 E442 W443L436-S440 WeakPolarHBondContact CD1-OG 3.39Å; L436-S440 WeakPolarHBondContact CG-OG 3.36Å; L437-S440 VanDerWaalsContact O-CB 3.28Å; L437-S440 WeakPolarHBondContact O-CB 3.44Å; L437-S440 PolarHBondContact O-N 2.91Å; L437-S440 PolarHBondContact O-OG 3.5Å; S440-E442 WeakPolarHBondContact CB-OE2 3.37Å; S440-E442 PolarHBondContact O-N 3.4Å; S440-W443 VanDerWaalsContact O-CB 3.29Å; S440-W443 WeakPolarHBondContact O-CB 3.37Å; S440-W443 PolarHBondContact O-N 3.06Å; S440-W443 VanDerWaalsContact O-N 3.12Å; S440-W443 WeakPolarHBondContact OG-CB 3.16Å; S440-W443 PolarHBondContact OG-N 2.92Å
441P92.4Very high92.4Very high94 Ų9469.9 Ų69.961%0.6140%0.396SS*.THydrogen-bonded Turntrans-56.4-34173.3-26.335.4000113.7W443P441-W443 VanDerWaalsContact C-N 3.33Å
442E92.5Very high92.4Very high104 Ų10468.2 Ų68.249%0.48638%0.38SS..THydrogen-bonded Turntrans-68.5-31.4178.7-61.179.7-178.700111.9L436 S440 N444 Q445L436-E442 HydrophobicContact CD1-CB 3.78Å; L436-E442 HydrophobicContact CD1-CG 4.45Å; L436-E442 HydrophobicContact CD2-CB 4.08Å; S440-E442 WeakPolarHBondContact CB-OE2 3.37Å; S440-E442 PolarHBondContact O-N 3.4Å; E442-N444 VanDerWaalsContact C-N 3.26Å; E442-N444 PolarHBondContact O-N 3.45Å; E442-Q445 WeakPolarHBondContact O-CB 3.4Å; E442-Q445 PolarHBondContact O-N 3.18Å
443W93.5Very high92.5Very high21 Ų2167.7 Ų67.78%0.0838%0.378CS..G310 helixtrans-58-40.2178.1179.6-93.4000112.5L436 E438 S440 P441 Q445 L446 Q451 E454 L455L436-W443 HydrophobicContact CD2-CB 4.21Å; L436-W443 HydrophobicContact CD2-CE3 4.16Å; E438-W443 HydrophobicContact CB-CD2 4.26Å; E438-W443 HydrophobicContact CB-CZ2 4.32Å; E438-W443 HydrophobicContact CG-CD2 4.35Å; E438-W443 HydrophobicContact CG-CE3 4.29Å; E438-W443 HydrophobicContact CG-CH2 3.69Å; E438-W443 HydrophobicContact CG-CZ2 3.74Å; E438-W443 HydrophobicContact CG-CZ3 3.95Å; E438-W443 VanDerWaalsContact O-CG 3.25Å; S440-W443 VanDerWaalsContact O-CB 3.29Å; S440-W443 WeakPolarHBondContact O-CB 3.37Å; S440-W443 PolarHBondContact O-N 3.06Å; S440-W443 VanDerWaalsContact O-N 3.12Å; S440-W443 WeakPolarHBondContact OG-CB 3.16Å; S440-W443 PolarHBondContact OG-N 2.92Å; P441-W443 VanDerWaalsContact C-N 3.33Å; W443-Q445 PolarHBondContact O-N 3.26Å; W443-L446 HydrophobicContact CE3-CD1 4.36Å; W443-L446 WeakPolarHBondContact O-CB 3.11Å; W443-L446 PolarHBondContact O-N 3.22Å; W443-Q451 HydrophobicContact CD2-CG 4.21Å; W443-Q451 HydrophobicContact CH2-CB 3.95Å; W443-Q451 HydrophobicContact CH2-CG 4.31Å; W443-Q451 HydrophobicContact CZ2-CB 3.63Å; W443-Q451 HydrophobicContact CZ2-CG 3.76Å; W443-Q451 PolarHBondContact O-NE2 2.85Å; W443-Q451 VanDerWaalsContact O-NE2 3.14Å; W443-E454 HydrophobicContact CE3-CB 4.47Å; W443-E454 HydrophobicContact CH2-CB 4.18Å; W443-E454 HydrophobicContact CZ3-CB 3.54Å; W443-E454 HydrophobicContact CZ3-CG 4.24Å; W443-L455 HydrophobicContact CH2-CD2 3.74Å; W443-L455 HydrophobicContact CH2-CG 3.83Å; W443-L455 HydrophobicContact CZ2-CD2 4.28Å; W443-L455 HydrophobicContact CZ2-CG 4.39Å
444N90.7Very high92.7Very high124 Ų12465.7 Ų65.766%0.66335%0.354SS*.G310 helixtrans-71.8-9.9-178.7-64.5-47.2000113.2E442E442-N444 VanDerWaalsContact C-N 3.26Å; E442-N444 PolarHBondContact O-N 3.45Å
445Q93.3Very high93Very high159 Ų15960.6 Ų60.674%0.74332%0.322SS*.G310 helixtrans-95-11.5176-58.5176.722.700112.4E442 W443E442-Q445 WeakPolarHBondContact O-CB 3.4Å; E442-Q445 PolarHBondContact O-N 3.18Å; W443-Q445 PolarHBondContact O-N 3.26Å
446L94.7Very high93.3Very high28 Ų2859 Ų5915%0.14731%0.313CS..SBendtrans-75.3148.4-178.9-62.2-169.7000111.6F187 L436 W443 Q450 Q451 E454F187-L446 HydrophobicContact CE1-CD1 4.12Å; F187-L446 HydrophobicContact CE1-CD2 3.56Å; F187-L446 HydrophobicContact CZ-CD2 3.64Å; L436-L446 HydrophobicContact CD2-CD1 3.58Å; L436-L446 HydrophobicContact CD2-CG 4.18Å; W443-L446 HydrophobicContact CE3-CD1 4.36Å; W443-L446 WeakPolarHBondContact O-CB 3.11Å; W443-L446 PolarHBondContact O-N 3.22Å; L446-Q450 HydrophobicContact CB-CB 3.93Å; L446-Q450 HydrophobicContact CD1-CB 4.29Å; L446-Q450 HydrophobicContact CD2-CB 4.31Å; L446-Q450 HydrophobicContact CG-CB 4.41Å; L446-Q451 HydrophobicContact CB-CG 3.74Å; L446-Q451 HydrophobicContact CD1-CG 4.37Å; L446-E454 HydrophobicContact CD1-CG 4.07Å
447T94.3Very high93.6Very high65 Ų6557.7 Ų57.740%0.39931%0.306SS..  trans-67.7158.2165.671.10000110.2T449 Q450 Q451T447-T449 PolarHBondContact O-N 3.45Å; T447-Q450 PolarHBondContact O-N 3.14Å; T447-Q450 VanDerWaalsContact OG1-CG 3.29Å; T447-Q450 WeakPolarHBondContact OG1-CG 3.15Å; T447-Q450 PolarHBondContact OG1-N 3.29Å; T447-Q451 WeakPolarHBondContact O-CG 3.38Å; T447-Q451 PolarHBondContact O-N 3.28Å
448S93.1Very high94Very high74 Ų7454.3 Ų54.352%0.51729%0.287SS..Hα-helixtrans-54.6-37.2174.6176.60000112.3Q451 N452S448-Q451 PolarHBondContact O-N 3.31Å; S448-N452 PolarHBondContact O-N 3.08Å; S448-N452 PolarHBondContact O-ND2 3.35Å
449T95.3Very high94.4Very high25 Ų2550.9 Ų50.915%0.15327%0.271CS..Hα-helixtrans-62-44.5174.1-560000112.1M180 D184 T447 N452 C453M180-T449 HydrophobicContact CE-CG2 4.18Å; M180-T449 HydrophobicContact CG-CG2 3.75Å; D184-T449 HydrophobicContact CB-CG2 3.99Å; T447-T449 PolarHBondContact O-N 3.45Å; T449-N452 PolarHBondContact O-N 2.72Å; T449-C453 PolarHBondContact O-N 2.96Å; T449-C453 PolarHBondContact O-SG 3.46Å
450Q96.2Very high94.9Very high27 Ų2744.8 Ų44.813%0.12624%0.238CC..Hα-helixtrans-69.6-37.8179.2-70.7164.6-0.100112D184 F187 L446 T447 C453 E454D184-Q450 VanDerWaalsContact OD1-CG 3.24Å; D184-Q450 WeakPolarHBondContact OD1-CG 3.34Å; D184-Q450 PolarHBondContact OD1-NE2 2.69Å; F187-Q450 HydrophobicContact CD1-CB 4.38Å; F187-Q450 HydrophobicContact CD2-CB 4.38Å; F187-Q450 HydrophobicContact CD2-CG 3.8Å; F187-Q450 HydrophobicContact CE1-CB 4.36Å; F187-Q450 HydrophobicContact CE2-CB 4.36Å; F187-Q450 HydrophobicContact CE2-CG 3.74Å; F187-Q450 HydrophobicContact CG-CB 4.41Å; F187-Q450 HydrophobicContact CG-CG 4.28Å; F187-Q450 HydrophobicContact CZ-CB 4.35Å; F187-Q450 HydrophobicContact CZ-CG 4.16Å; L446-Q450 HydrophobicContact CB-CB 3.93Å; L446-Q450 HydrophobicContact CD1-CB 4.29Å; L446-Q450 HydrophobicContact CD2-CB 4.31Å; L446-Q450 HydrophobicContact CG-CB 4.41Å; T447-Q450 PolarHBondContact O-N 3.14Å; T447-Q450 VanDerWaalsContact OG1-CG 3.29Å; T447-Q450 WeakPolarHBondContact OG1-CG 3.15Å; T447-Q450 PolarHBondContact OG1-N 3.29Å; Q450-C453 WeakPolarHBondContact O-CB 3.25Å; Q450-C453 PolarHBondContact O-N 3.31Å; Q450-C453 VanDerWaalsContact O-N 3.14Å; Q450-E454 PolarHBondContact O-N 3.47Å
451Q95.3Very high95.1Very high49 Ų4944.1 Ų44.123%0.22923%0.234CC..Hα-helixtrans-58.6-47.5170.6-69.1176.4-20.300110.7W443 L446 T447 S448 C453 E454 L455W443-Q451 HydrophobicContact CD2-CG 4.21Å; W443-Q451 HydrophobicContact CH2-CB 3.95Å; W443-Q451 HydrophobicContact CH2-CG 4.31Å; W443-Q451 HydrophobicContact CZ2-CB 3.63Å; W443-Q451 HydrophobicContact CZ2-CG 3.76Å; W443-Q451 PolarHBondContact O-NE2 2.85Å; W443-Q451 VanDerWaalsContact O-NE2 3.14Å; L446-Q451 HydrophobicContact CB-CG 3.74Å; L446-Q451 HydrophobicContact CD1-CG 4.37Å; T447-Q451 WeakPolarHBondContact O-CG 3.38Å; T447-Q451 PolarHBondContact O-N 3.28Å; S448-Q451 PolarHBondContact O-N 3.31Å; Q451-C453 VanDerWaalsContact C-N 3.27Å; Q451-C453 PolarHBondContact O-N 2.94Å; Q451-E454 PolarHBondContact O-N 2.93Å; Q451-E454 VanDerWaalsContact O-N 3.15Å; Q451-L455 WeakPolarHBondContact O-CG 3.47Å; Q451-L455 PolarHBondContact O-N 3.27Å
452N95.7Very high95.3Very high18 Ų1843.2 Ų43.210%0.09622%0.224CC..Hα-helixtrans-60.7-34.4174.7-76.6-38.2000112.8F312 G316 I318 S448 T449 L456F312-N452 HydrophobicContact CD2-CB 3.88Å; F312-N452 HydrophobicContact CE2-CB 3.68Å; G316-N452 PolarHBondContact O-ND2 2.76Å; I318-N452 HydrophobicContact CG1-CB 4.07Å; I318-N452 WeakPolarHBondContact CG1-O 3.31Å; I318-N452 PolarHBondContact N-OD1 2.92Å; S448-N452 PolarHBondContact O-N 3.08Å; S448-N452 PolarHBondContact O-ND2 3.35Å; T449-N452 PolarHBondContact O-N 2.72Å; N452-L456 WeakPolarHBondContact O-CB 3.44Å; N452-L456 PolarHBondContact O-N 2.86Å
453C96.9Very high95.6Very high0 Ų038.8 Ų38.80%020%0.203CC..Hα-helixtrans-63.3-45.7173.3-64.80000111.9M180 F187 L188 F312 T449 Q450 Q451 L456 K457M180-C453 VanDerWaalsContact CE-SG 3.55Å; F187-C453 HydrophobicContact CB-CB 3.69Å; L188-C453 HydrophobicContact CD2-CB 3.69Å; L188-C453 HydrophobicContact CG-CB 3.9Å; F312-C453 VanDerWaalsContact CZ-SG 3.6Å; T449-C453 PolarHBondContact O-N 2.96Å; T449-C453 PolarHBondContact O-SG 3.46Å; Q450-C453 WeakPolarHBondContact O-CB 3.25Å; Q450-C453 PolarHBondContact O-N 3.31Å; Q450-C453 VanDerWaalsContact O-N 3.14Å; Q451-C453 VanDerWaalsContact C-N 3.27Å; Q451-C453 PolarHBondContact O-N 2.94Å; C453-L456 PolarHBondContact O-N 2.93Å; C453-K457 WeakPolarHBondContact O-CG 3.26Å; C453-K457 PolarHBondContact O-N 2.84Å
454E95.9Very high95.8Very high10 Ų1037.8 Ų37.85%0.04720%0.2CC..Hα-helixtrans-64.6-45.5175.9-70.9-63.7149.400111.8F187 L436 W443 L446 Q450 Q451 L456 K457 H458F187-E454 HydrophobicContact CD1-CG 4.21Å; F187-E454 WeakPolarHBondContact CD1-OE1 3.43Å; L436-E454 HydrophobicContact CB-CG 4.15Å; L436-E454 PolarHBondContact N-OE2 3.22Å; W443-E454 HydrophobicContact CE3-CB 4.47Å; W443-E454 HydrophobicContact CH2-CB 4.18Å; W443-E454 HydrophobicContact CZ3-CB 3.54Å; W443-E454 HydrophobicContact CZ3-CG 4.24Å; L446-E454 HydrophobicContact CD1-CG 4.07Å; Q450-E454 PolarHBondContact O-N 3.47Å; Q451-E454 PolarHBondContact O-N 2.93Å; Q451-E454 VanDerWaalsContact O-N 3.15Å; E454-L456 VanDerWaalsContact C-N 3.29Å; E454-L456 PolarHBondContact O-N 3.21Å; E454-K457 PolarHBondContact O-N 3.09Å; E454-K457 VanDerWaalsContact O-N 3.14Å; E454-K457 WeakPolarHBondContact OE1-CE 3.44Å; E454-K457 IonicContact OE1-NZ 3.12Å; E454-K457 PolarHBondContact OE1-NZ 2.98Å; E454-K457 WeakPolarHBondContact OE2-CE 3.42Å; E454-K457 IonicContact OE2-NZ 3.68Å; E454-K457 PolarHBondContact OE2-NZ 3.43Å; E454-H458 PolarHBondContact O-CD2 3.19Å; E454-H458 PolarHBondContact O-N 3.35Å
455L95.9Very high96.2Very high29 Ų2937.6 Ų37.615%0.15219%0.19CC..Hα-helixtrans-55.7-44.4175.5-69.7-179.6000111.7I318 E438 W443 Q451 K457 H458 H459I318-L455 HydrophobicContact CB-CB 4.18Å; I318-L455 HydrophobicContact CB-CD1 4.18Å; I318-L455 HydrophobicContact CG1-CB 4.09Å; I318-L455 HydrophobicContact CG2-CB 4.08Å; E438-L455 HydrophobicContact CG-CD2 4.14Å; E438-L455 WeakPolarHBondContact OE1-CD2 3.33Å; W443-L455 HydrophobicContact CH2-CD2 3.74Å; W443-L455 HydrophobicContact CH2-CG 3.83Å; W443-L455 HydrophobicContact CZ2-CD2 4.28Å; W443-L455 HydrophobicContact CZ2-CG 4.39Å; Q451-L455 WeakPolarHBondContact O-CG 3.47Å; Q451-L455 PolarHBondContact O-N 3.27Å; L455-K457 PolarHBondContact O-N 2.87Å; L455-H458 WeakPolarHBondContact O-CB 3.48Å; L455-H458 PolarHBondContact O-N 2.66Å; L455-H459 PolarHBondContact O-CD2 3.45Å; L455-H459 PolarHBondContact O-N 3.2Å
456L97.3Very high96.4Very high1 Ų132.1 Ų32.11%0.00517%0.169CC..Hα-helixtrans-58.8-48.7177.2-178.161.8000111L188 I193 N308 F312 I318 N452 C453 E454 H458 H459 E460L188-L456 HydrophobicContact CD2-CD2 3.93Å; I193-L456 HydrophobicContact CD1-CD2 3.56Å; I193-L456 HydrophobicContact CG2-CD2 4.09Å; N308-L456 HydrophobicContact CB-CD1 4.02Å; F312-L456 HydrophobicContact CD1-CD2 3.9Å; F312-L456 HydrophobicContact CE1-CD2 4.37Å; F312-L456 HydrophobicContact CG-CD2 4.21Å; I318-L456 HydrophobicContact CD1-CB 3.89Å; I318-L456 HydrophobicContact CD1-CD1 4.05Å; I318-L456 HydrophobicContact CD1-CG 4.47Å; N452-L456 WeakPolarHBondContact O-CB 3.44Å; N452-L456 PolarHBondContact O-N 2.86Å; C453-L456 PolarHBondContact O-N 2.93Å; E454-L456 VanDerWaalsContact C-N 3.29Å; E454-L456 PolarHBondContact O-N 3.21Å; L456-H458 VanDerWaalsContact C-N 3.31Å; L456-H458 PolarHBondContact O-N 3.22Å; L456-H459 PolarHBondContact O-N 3.41Å; L456-H459 VanDerWaalsContact O-N 3.15Å; L456-E460 HydrophobicContact CD1-CG 4.28Å; L456-E460 HydrophobicContact CG-CG 4.38Å; L456-E460 WeakPolarHBondContact O-CG 3.13Å; L456-E460 PolarHBondContact O-N 2.82Å
457K97.2Very high96.5Very high10 Ų1030.8 Ų30.84%0.04316%0.162CC..Hα-helixtrans-59.3-40.9177.5-68.5-172-64.9-176.10112.3F187 Y432 L435 C453 E454 L455 H459 E460 I461F187-K457 WeakPolarHBondContact O-CD 3.39Å; F187-K457 WeakPolarHBondContact O-CE 3.33Å; F187-K457 PolarHBondContact O-NZ 3.11Å; Y432-K457 HydrophobicContact CD1-CB 3.96Å; Y432-K457 HydrophobicContact CD1-CD 3.92Å; Y432-K457 HydrophobicContact CD1-CG 3.74Å; Y432-K457 HydrophobicContact CE1-CB 4.27Å; Y432-K457 HydrophobicContact CE1-CG 4.03Å; L435-K457 HydrophobicContact CD2-CB 3.63Å; L435-K457 HydrophobicContact CD2-CD 4.45Å; C453-K457 WeakPolarHBondContact O-CG 3.26Å; C453-K457 PolarHBondContact O-N 2.84Å; E454-K457 PolarHBondContact O-N 3.09Å; E454-K457 VanDerWaalsContact O-N 3.14Å; E454-K457 WeakPolarHBondContact OE1-CE 3.44Å; E454-K457 IonicContact OE1-NZ 3.12Å; E454-K457 PolarHBondContact OE1-NZ 2.98Å; E454-K457 WeakPolarHBondContact OE2-CE 3.42Å; E454-K457 IonicContact OE2-NZ 3.68Å; E454-K457 PolarHBondContact OE2-NZ 3.43Å; L455-K457 PolarHBondContact O-N 2.87Å; K457-H459 PolarHBondContact O-N 3.02Å; K457-E460 PolarHBondContact O-N 3.41Å; K457-I461 WeakPolarHBondContact O-CB 3.35Å; K457-I461 WeakPolarHBondContact O-CG1 3.27Å; K457-I461 PolarHBondContact O-N 3.29Å
458H95.8Very high96.7Very high33 Ų3328.8 Ų28.815%0.15315%0.148CC..Hα-helixtrans-56.9-49.2174.7-81.7-72.4000111.3L436 E454 L455 L456 E460 I461 N462L436-H458 PolarHBondContact O-CE1 3.13Å; L436-H458 PolarHBondContact O-NE2 3.39Å; E454-H458 PolarHBondContact O-CD2 3.19Å; E454-H458 PolarHBondContact O-N 3.35Å; L455-H458 WeakPolarHBondContact O-CB 3.48Å; L455-H458 PolarHBondContact O-N 2.66Å; L456-H458 VanDerWaalsContact C-N 3.31Å; L456-H458 PolarHBondContact O-N 3.22Å; H458-E460 PolarHBondContact O-N 3.04Å; H458-I461 PolarHBondContact O-N 2.84Å; H458-N462 WeakPolarHBondContact O-CB 3.33Å; H458-N462 PolarHBondContact O-N 2.88Å; H458-N462 PolarHBondContact O-ND2 3.24Å
459H96.7Very high97Very high47 Ų4731.3 Ų31.322%0.21815%0.152CC..Hα-helixtrans-63.7-41.5178.3-75.3-68000112.9N308 L455 L456 K457 N462 I463N308-H459 PolarHBondContact ND2-CD2 2.96Å; N308-H459 VanDerWaalsContact ND2-CD2 3.3Å; L455-H459 PolarHBondContact O-CD2 3.45Å; L455-H459 PolarHBondContact O-N 3.2Å; L456-H459 PolarHBondContact O-N 3.41Å; L456-H459 VanDerWaalsContact O-N 3.15Å; K457-H459 PolarHBondContact O-N 3.02Å; H459-N462 PolarHBondContact O-N 2.78Å; H459-I463 WeakPolarHBondContact O-CG1 3.33Å; H459-I463 PolarHBondContact O-N 3.33Å; H459-I463 VanDerWaalsContact O-N 3.07Å
460E97.6Very high97Very high6 Ų632.4 Ų32.43%0.02816%0.157CC..Hα-helixtrans-64.1-45.4177.8-69-179.1147.900111.6S191 L327 Y432 L456 K457 H458 N462 I463 L464S191-E460 WeakPolarHBondContact CB-OE2 3.25Å; S191-E460 VanDerWaalsContact OG-CD 3.25Å; S191-E460 PolarHBondContact OG-OE1 3.13Å; S191-E460 PolarHBondContact OG-OE2 2.54Å; L327-E460 HydrophobicContact CD1-CB 4.3Å; L327-E460 HydrophobicContact CD1-CG 3.95Å; L327-E460 HydrophobicContact CD2-CB 4.17Å; Y432-E460 HydrophobicContact CE1-CB 4.2Å; Y432-E460 VanDerWaalsContact CE1-OE2 3.24Å; Y432-E460 WeakPolarHBondContact CE1-OE2 3.32Å; Y432-E460 WeakPolarHBondContact OH-CB 3.11Å; Y432-E460 PolarHBondContact OH-OE2 2.96Å; L456-E460 HydrophobicContact CD1-CG 4.28Å; L456-E460 HydrophobicContact CG-CG 4.38Å; L456-E460 WeakPolarHBondContact O-CG 3.13Å; L456-E460 PolarHBondContact O-N 2.82Å; K457-E460 PolarHBondContact O-N 3.41Å; H458-E460 PolarHBondContact O-N 3.04Å; E460-N462 VanDerWaalsContact C-N 3.35Å; E460-N462 PolarHBondContact O-N 3.46Å; E460-I463 PolarHBondContact O-N 2.98Å; E460-L464 WeakPolarHBondContact O-CG 3.15Å; E460-L464 PolarHBondContact O-N 2.66Å; E460-L464 VanDerWaalsContact O-N 3.1Å
461I97.3Very high97.1Very high3 Ų331.1 Ų31.12%0.01515%0.151CC..Hα-helixtrans-64.8-38.7176.2-76.3165.8000111.6I429 Y432 L435 K457 H458 I463 L464 R465I429-I461 HydrophobicContact CG2-CG2 4.45Å; Y432-I461 HydrophobicContact CD1-CD1 4.12Å; Y432-I461 HydrophobicContact CD1-CG1 4.32Å; Y432-I461 HydrophobicContact CD2-CD1 4.16Å; Y432-I461 HydrophobicContact CD2-CG1 3.93Å; Y432-I461 HydrophobicContact CE2-CG1 4.33Å; Y432-I461 HydrophobicContact CG-CD1 3.72Å; Y432-I461 HydrophobicContact CG-CG1 3.95Å; L435-I461 HydrophobicContact CD1-CB 4.4Å; L435-I461 HydrophobicContact CD1-CD1 3.45Å; L435-I461 VanDerWaalsContact CD1-CD1 3.45Å; L435-I461 HydrophobicContact CD1-CG2 4.33Å; L435-I461 HydrophobicContact CD2-CD1 3.82Å; L435-I461 HydrophobicContact CG-CD1 3.69Å; K457-I461 WeakPolarHBondContact O-CB 3.35Å; K457-I461 WeakPolarHBondContact O-CG1 3.27Å; K457-I461 PolarHBondContact O-N 3.29Å; H458-I461 PolarHBondContact O-N 2.84Å; I461-I463 VanDerWaalsContact C-N 3.35Å; I461-I463 PolarHBondContact O-N 2.7Å; I461-L464 PolarHBondContact O-N 3.08Å; I461-R465 HydrophobicContact CG2-CG 4.22Å; I461-R465 WeakPolarHBondContact O-CG 3.32Å; I461-R465 PolarHBondContact O-N 3.12Å
462N96.5Very high97.1Very high74 Ų7431.9 Ų31.940%0.39615%0.154SC..Hα-helixtrans-62.4-42.6176.9-73.3-17.6000111.3H458 H459 E460 L464 R465 S466H458-N462 WeakPolarHBondContact O-CB 3.33Å; H458-N462 PolarHBondContact O-N 2.88Å; H458-N462 PolarHBondContact O-ND2 3.24Å; H459-N462 PolarHBondContact O-N 2.78Å; E460-N462 VanDerWaalsContact C-N 3.35Å; E460-N462 PolarHBondContact O-N 3.46Å; N462-L464 VanDerWaalsContact C-N 3.33Å; N462-L464 PolarHBondContact O-N 2.83Å; N462-R465 PolarHBondContact O-N 3.08Å; N462-S466 PolarHBondContact O-N 3.25Å; N462-S466 PolarHBondContact O-OG 3.24Å
463I98.1Very high97Very high12 Ų1238.5 Ų38.56%0.06218%0.179CC..Hα-helixtrans-57-47.4172.3-72.9169.7000110.9L327 L360 H459 E460 I461 R465 S467L327-I463 HydrophobicContact CB-CB 4.49Å; L327-I463 HydrophobicContact CB-CD1 4.16Å; L327-I463 HydrophobicContact CB-CG2 4.01Å; L360-I463 HydrophobicContact CB-CG2 3.67Å; H459-I463 WeakPolarHBondContact O-CG1 3.33Å; H459-I463 PolarHBondContact O-N 3.33Å; H459-I463 VanDerWaalsContact O-N 3.07Å; E460-I463 PolarHBondContact O-N 2.98Å; I461-I463 VanDerWaalsContact C-N 3.35Å; I461-I463 PolarHBondContact O-N 2.7Å; I463-R465 PolarHBondContact O-N 2.97Å; I463-S467 WeakPolarHBondContact O-CB 3.28Å; I463-S467 PolarHBondContact O-N 2.83Å; I463-S467 PolarHBondContact O-OG 3.46Å
464L98.2Very high96.9Very high0 Ų039 Ų390%018%0.182CC..Hα-helixtrans-62.9-41.8179.5-65.2171.5000112.2L327 I329 L360 L425 L428 I429 Y432 E460 I461 N462 S467 I468L327-L464 HydrophobicContact CD2-CD1 3.91Å; L327-L464 HydrophobicContact CD2-CD2 3.59Å; L327-L464 HydrophobicContact CD2-CG 3.57Å; I329-L464 HydrophobicContact CG2-CD2 4.34Å; L360-L464 HydrophobicContact CD1-CD2 4.35Å; L425-L464 HydrophobicContact CD2-CD2 3.64Å; L428-L464 HydrophobicContact CB-CD1 3.92Å; L428-L464 HydrophobicContact CB-CD2 4.4Å; L428-L464 HydrophobicContact CD1-CD2 4.02Å; I429-L464 HydrophobicContact CD1-CB 3.84Å; I429-L464 HydrophobicContact CG1-CB 3.67Å; I429-L464 HydrophobicContact CG1-CD1 3.74Å; I429-L464 HydrophobicContact CG1-CG 4.35Å; Y432-L464 HydrophobicContact CE2-CD1 3.98Å; E460-L464 WeakPolarHBondContact O-CG 3.15Å; E460-L464 PolarHBondContact O-N 2.66Å; E460-L464 VanDerWaalsContact O-N 3.1Å; I461-L464 PolarHBondContact O-N 3.08Å; N462-L464 VanDerWaalsContact C-N 3.33Å; N462-L464 PolarHBondContact O-N 2.83Å; L464-S467 PolarHBondContact O-N 3.44Å; L464-I468 WeakPolarHBondContact O-CG1 3.44Å; L464-I468 PolarHBondContact O-N 2.82Å
465R98Very high96.6Very high120 Ų12039.5 Ų39.545%0.45318%0.184SC..Hα-helixtrans-65-49.8177.9-75.7176.7174.8161.2-2.2111.7I429 I461 N462 I463 S467 I468 E469I429-R465 HydrophobicContact CD1-CG 3.88Å; I461-R465 HydrophobicContact CG2-CG 4.22Å; I461-R465 WeakPolarHBondContact O-CG 3.32Å; I461-R465 PolarHBondContact O-N 3.12Å; N462-R465 PolarHBondContact O-N 3.08Å; I463-R465 PolarHBondContact O-N 2.97Å; R465-S467 VanDerWaalsContact C-N 3.26Å; R465-S467 PolarHBondContact O-N 3.28Å; R465-I468 WeakPolarHBondContact O-CA 3.32Å; R465-I468 WeakPolarHBondContact O-CB 3.41Å; R465-I468 PolarHBondContact O-N 3.47Å; R465-E469 WeakPolarHBondContact O-CG 3.49Å; R465-E469 PolarHBondContact O-N 2.67Å
466S98Very high96.3Very high43 Ų4341.8 Ų41.830%0.30120%0.197SC..Hα-helixtrans-61-36.5176.5-59.70000111.9G362 N462 E469 N470G362-S466 WeakPolarHBondContact O-CB 3.47Å; N462-S466 PolarHBondContact O-N 3.25Å; N462-S466 PolarHBondContact O-OG 3.24Å; S466-E469 PolarHBondContact O-N 3.21Å; S466-N470 PolarHBondContact O-N 3.28Å; S466-N470 PolarHBondContact O-ND2 2.76Å
467S98.2Very high95.8Very high0 Ų044.7 Ų44.70%021%0.212CC..Hα-helixtrans-63.4-40.1171.7-75.40000113I463 L464 R465 I471I463-S467 WeakPolarHBondContact O-CB 3.28Å; I463-S467 PolarHBondContact O-N 2.83Å; I463-S467 PolarHBondContact O-OG 3.46Å; L464-S467 PolarHBondContact O-N 3.44Å; R465-S467 VanDerWaalsContact C-N 3.26Å; R465-S467 PolarHBondContact O-N 3.28Å; S467-I471 WeakPolarHBondContact O-CD1 3.48Å; S467-I471 VanDerWaalsContact O-CG1 3.3Å; S467-I471 WeakPolarHBondContact O-CG1 3.18Å; S467-I471 PolarHBondContact O-N 2.89Å
468I98.2Very high95Very high23 Ų2344.6 Ų44.612%0.11821%0.213CC..Hα-helixtrans-63-46.2173.9-70.1164.7000110.7I422 L425 K426 I429 L464 R465 N470 I471 Q472I422-I468 HydrophobicContact CG2-CG2 4.2Å; L425-I468 HydrophobicContact CB-CD1 3.74Å; L425-I468 HydrophobicContact CB-CG1 3.54Å; L425-I468 HydrophobicContact CD1-CG1 3.72Å; L425-I468 HydrophobicContact CG-CG1 4.29Å; K426-I468 HydrophobicContact CG-CD1 3.85Å; I429-I468 HydrophobicContact CD1-CD1 3.64Å; L464-I468 WeakPolarHBondContact O-CG1 3.44Å; L464-I468 PolarHBondContact O-N 2.82Å; R465-I468 WeakPolarHBondContact O-CA 3.32Å; R465-I468 WeakPolarHBondContact O-CB 3.41Å; R465-I468 PolarHBondContact O-N 3.47Å; I468-N470 VanDerWaalsContact C-N 3.34Å; I468-N470 PolarHBondContact O-N 3.37Å; I468-I471 PolarHBondContact O-N 3.24Å; I468-Q472 WeakPolarHBondContact O-CB 3.16Å; I468-Q472 PolarHBondContact O-N 3.23Å
469E97.8Very high93.6Very high127 Ų12748.9 Ų48.959%0.59323%0.228SC*.Hα-helixtrans-58.4-44.3179.7-71.8166.3-174.800111.7R465 S466 I471 Q472 Y473R465-E469 WeakPolarHBondContact O-CG 3.49Å; R465-E469 PolarHBondContact O-N 2.67Å; S466-E469 PolarHBondContact O-N 3.21Å; E469-I471 PolarHBondContact O-N 2.79Å; E469-Q472 PolarHBondContact O-N 3.18Å; E469-Y473 WeakPolarHBondContact O-CB 3.31Å; E469-Y473 PolarHBondContact O-N 3.08Å
470N97Very high92Very high48 Ų4851 Ų5126%0.25724%0.241SC..Hα-helixtrans-60.4-43.7175.1-77.7-63.4000112.6G362 I364 S466 I468 I474G362-N470 PolarHBondContact O-ND2 2.95Å; I364-N470 HydrophobicContact CB-CB 4.34Å; I364-N470 HydrophobicContact CD1-CB 4.41Å; I364-N470 HydrophobicContact CG1-CB 4.46Å; S466-N470 PolarHBondContact O-N 3.28Å; S466-N470 PolarHBondContact O-ND2 2.76Å; I468-N470 VanDerWaalsContact C-N 3.34Å; I468-N470 PolarHBondContact O-N 3.37Å; N470-I474 WeakPolarHBondContact O-CG1 3.46Å; N470-I474 PolarHBondContact O-N 3.01Å
471I96.7Very high90.1Very high0 Ų054 Ų540%026%0.26CS..Hα-helixtrans-67.6-41.7177.7-58.9155.8000110.8M367 F371 L418 M421 I422 L425 S467 I468 E469 Y473 I474 M475M367-I471 HydrophobicContact CE-CD1 3.47Å; M367-I471 VanDerWaalsContact CE-CD1 3.47Å; M367-I471 HydrophobicContact CE-CG1 3.7Å; M367-I471 HydrophobicContact SD-CG1 4.45Å; F371-I471 HydrophobicContact CZ-CG1 4.46Å; L418-I471 HydrophobicContact CB-CG2 3.97Å; L418-I471 HydrophobicContact CD2-CG2 4.12Å; M421-I471 HydrophobicContact CB-CD1 3.6Å; M421-I471 HydrophobicContact CE-CD1 3.99Å; M421-I471 HydrophobicContact CE-CG1 4.13Å; I422-I471 HydrophobicContact CD1-CB 4.3Å; I422-I471 HydrophobicContact CD1-CG2 3.87Å; I422-I471 HydrophobicContact CG1-CB 3.97Å; I422-I471 HydrophobicContact CG1-CD1 4.25Å; I422-I471 HydrophobicContact CG1-CG2 3.69Å; L425-I471 HydrophobicContact CD1-CD1 3.87Å; S467-I471 WeakPolarHBondContact O-CD1 3.48Å; S467-I471 VanDerWaalsContact O-CG1 3.3Å; S467-I471 WeakPolarHBondContact O-CG1 3.18Å; S467-I471 PolarHBondContact O-N 2.89Å; I468-I471 PolarHBondContact O-N 3.24Å; E469-I471 PolarHBondContact O-N 2.79Å; I471-Y473 VanDerWaalsContact C-N 3.32Å; I471-Y473 PolarHBondContact O-N 2.84Å; I471-I474 WeakPolarHBondContact O-CB 3.5Å; I471-I474 PolarHBondContact O-N 3.24Å; I471-M475 PolarHBondContact O-N 3.36Å; I471-M475 VanDerWaalsContact O-N 3.11Å
472Q95.6Very high88.3Confident65 Ų6556.8 Ų56.830%0.30427%0.274SS..Hα-helixtrans-63-40.9179.7-170.664.858.500110.9I422 I468 E469 I474 M475 D476I422-Q472 HydrophobicContact CD1-CB 4.46Å; I468-Q472 WeakPolarHBondContact O-CB 3.16Å; I468-Q472 PolarHBondContact O-N 3.23Å; E469-Q472 PolarHBondContact O-N 3.18Å; Q472-I474 VanDerWaalsContact C-N 3.29Å; Q472-I474 PolarHBondContact O-N 2.56Å; Q472-M475 WeakPolarHBondContact O-CB 3.5Å; Q472-M475 PolarHBondContact O-N 3.32Å; Q472-D476 PolarHBondContact NE2-OD1 3.36Å; Q472-D476 VanDerWaalsContact O-CG 3.25Å; Q472-D476 PolarHBondContact O-N 2.87Å
473Y94.8Very high86.5Confident157 Ų15757 Ų5762%0.61628%0.276SS*.Hα-helixtrans-56.9-40.6174-178.8-99.7000112.4E469 I471 N477E469-Y473 WeakPolarHBondContact O-CB 3.31Å; E469-Y473 PolarHBondContact O-N 3.08Å; I471-Y473 VanDerWaalsContact C-N 3.32Å; I471-Y473 PolarHBondContact O-N 2.84Å; Y473-N477 VanDerWaalsContact CD1-ND2 3.32Å; Y473-N477 WeakPolarHBondContact CD1-ND2 3.36Å; Y473-N477 WeakPolarHBondContact CD2-ND2 3.27Å; Y473-N477 WeakPolarHBondContact CE1-ND2 3.22Å; Y473-N477 WeakPolarHBondContact CE2-ND2 3.3Å; Y473-N477 WeakPolarHBondContact O-CB 3.3Å; Y473-N477 PolarHBondContact O-N 3.18Å; Y473-N477 VanDerWaalsContact O-N 3.09Å; Y473-N477 PolarHBondContact O-ND2 3.46Å
474I93.6Very high84.6Confident11 Ų1161.2 Ų61.26%0.05630%0.298CS..Hα-helixtrans-63.9-43.3175.1-60.5162000111I364 F371 F405 F407 L418 N470 I471 Q472 S478I364-I474 HydrophobicContact CD1-CD1 3.64Å; I364-I474 HydrophobicContact CD1-CG1 4.2Å; F371-I474 HydrophobicContact CE1-CD1 3.96Å; F371-I474 HydrophobicContact CZ-CD1 3.5Å; F371-I474 VanDerWaalsContact CZ-CD1 3.5Å; F405-I474 WeakPolarHBondContact O-CD1 3.02Å; F405-I474 WeakPolarHBondContact O-CG1 3.26Å; F407-I474 HydrophobicContact CB-CG2 4.02Å; L418-I474 HydrophobicContact CD1-CG2 4.15Å; N470-I474 WeakPolarHBondContact O-CG1 3.46Å; N470-I474 PolarHBondContact O-N 3.01Å; I471-I474 WeakPolarHBondContact O-CB 3.5Å; I471-I474 PolarHBondContact O-N 3.24Å; Q472-I474 VanDerWaalsContact C-N 3.29Å; Q472-I474 PolarHBondContact O-N 2.56Å; I474-S478 PolarHBondContact O-N 3.05Å
475M91.1Very high82.6Confident20 Ų2065.4 Ų65.410%0.09932%0.32CS..Hα-helixtrans-63.6-47.4178.5-68.9-175.465.500111.2L418 I422 I471 Q472 S478 Y479L418-M475 HydrophobicContact CB-CG 3.9Å; L418-M475 HydrophobicContact CB-SD 3.73Å; L418-M475 HydrophobicContact CD1-CG 3.62Å; L418-M475 HydrophobicContact CG-CG 4.41Å; I422-M475 HydrophobicContact CD1-SD 3.59Å; I422-M475 VanDerWaalsContact CD1-SD 3.59Å; I471-M475 PolarHBondContact O-N 3.36Å; I471-M475 VanDerWaalsContact O-N 3.11Å; Q472-M475 WeakPolarHBondContact O-CB 3.5Å; Q472-M475 PolarHBondContact O-N 3.32Å; M475-S478 WeakPolarHBondContact O-CB 3.45Å; M475-S478 PolarHBondContact O-N 3.34Å; M475-S478 PolarHBondContact O-OG 3.32Å; M475-Y479 WeakPolarHBondContact O-CD2 3.42Å; M475-Y479 PolarHBondContact O-N 2.97Å
476D89.6Confident80.4Confident77 Ų7764.9 Ų64.941%0.41233%0.326SS..Hα-helixtrans-65.7-45.5-176.1-64.1-13.2000111.6Q472 S478 Y479 D480Q472-D476 PolarHBondContact NE2-OD1 3.36Å; Q472-D476 VanDerWaalsContact O-CG 3.25Å; Q472-D476 PolarHBondContact O-N 2.87Å; D476-S478 PolarHBondContact O-N 3.2Å; D476-Y479 WeakPolarHBondContact O-CB 3.26Å; D476-Y479 PolarHBondContact O-N 2.97Å; D476-D480 PolarHBondContact O-N 2.84Å
477N85.7Confident78Confident62 Ų6267.4 Ų67.433%0.33234%0.336SS..Hα-helixtrans-62.8-28.4175.7-75.2-63.6000112.8Y473 V481Y473-N477 VanDerWaalsContact CD1-ND2 3.32Å; Y473-N477 WeakPolarHBondContact CD1-ND2 3.36Å; Y473-N477 WeakPolarHBondContact CD2-ND2 3.27Å; Y473-N477 WeakPolarHBondContact CE1-ND2 3.22Å; Y473-N477 WeakPolarHBondContact CE2-ND2 3.3Å; Y473-N477 WeakPolarHBondContact O-CB 3.3Å; Y473-N477 PolarHBondContact O-N 3.18Å; Y473-N477 VanDerWaalsContact O-N 3.09Å; Y473-N477 PolarHBondContact O-ND2 3.46Å; N477-V481 VanDerWaalsContact O-CG2 3.28Å; N477-V481 WeakPolarHBondContact O-CG2 3.42Å; N477-V481 PolarHBondContact O-N 3.01Å; N477-V481 VanDerWaalsContact O-N 3.14Å
478S80.8Confident75.8Confident8 Ų869.7 Ų69.76%0.05636%0.355CS..Hα-helixtrans-69.2-37.517580.70000112.1F407 I474 M475 D476 V481 I482F407-S478 WeakPolarHBondContact CD2-OG 3.09Å; I474-S478 PolarHBondContact O-N 3.05Å; M475-S478 WeakPolarHBondContact O-CB 3.45Å; M475-S478 PolarHBondContact O-N 3.34Å; M475-S478 PolarHBondContact O-OG 3.32Å; D476-S478 PolarHBondContact O-N 3.2Å; S478-V481 PolarHBondContact O-N 3.47Å; S478-I482 WeakPolarHBondContact O-CB 3.32Å; S478-I482 WeakPolarHBondContact O-CD1 3.24Å; S478-I482 WeakPolarHBondContact O-CG1 3.39Å; S478-I482 PolarHBondContact O-N 2.8Å
479Y66.3Low73.6Confident123 Ų12373.1 Ų73.148%0.48238%0.376SS..Hα-helixtrans-66.1-41.2176.4-81.3-74.8000111.4M475 D476 V481 I482 N483M475-Y479 WeakPolarHBondContact O-CD2 3.42Å; M475-Y479 PolarHBondContact O-N 2.97Å; D476-Y479 WeakPolarHBondContact O-CB 3.26Å; D476-Y479 PolarHBondContact O-N 2.97Å; Y479-V481 PolarHBondContact O-N 2.82Å; Y479-I482 PolarHBondContact O-N 3.08Å; Y479-N483 VanDerWaalsContact O-CB 3.29Å; Y479-N483 WeakPolarHBondContact O-CB 3.29Å; Y479-N483 VanDerWaalsContact O-CG 3.3Å; Y479-N483 PolarHBondContact O-N 2.84Å; Y479-N483 PolarHBondContact O-ND2 3.05Å
480D63.1Low71.2Confident91 Ų9170 Ų7049%0.48737%0.368SS..Hα-helixtrans-63.4-42.1176.4-72-22.5000111.4D476 N484D476-D480 PolarHBondContact O-N 2.84Å; D480-N484 WeakPolarHBondContact O-CB 3.34Å; D480-N484 PolarHBondContact O-N 2.88Å; D480-N484 PolarHBondContact O-ND2 2.82Å
481V58.9Low69Low70 Ų7074.3 Ų74.342%0.42439%0.389SS..Hα-helixtrans-67-38.4176174.90000111.8N477 S478 Y479 N485N477-V481 VanDerWaalsContact O-CG2 3.28Å; N477-V481 WeakPolarHBondContact O-CG2 3.42Å; N477-V481 PolarHBondContact O-N 3.01Å; N477-V481 VanDerWaalsContact O-N 3.14Å; S478-V481 PolarHBondContact O-N 3.47Å; Y479-V481 PolarHBondContact O-N 2.82Å; V481-N485 WeakPolarHBondContact O-CB 3.31Å; V481-N485 PolarHBondContact O-N 2.99Å; V481-N485 VanDerWaalsContact O-N 3.12Å; V481-N485 PolarHBondContact O-ND2 3.01Å
482I58.2Low66.8Low61 Ų6180.2 Ų80.231%0.31342%0.42SS..Hα-helixtrans-68.9-45.3178.4-69.1163.5000110.6S478 Y479 N485 L486S478-I482 WeakPolarHBondContact O-CB 3.32Å; S478-I482 WeakPolarHBondContact O-CD1 3.24Å; S478-I482 WeakPolarHBondContact O-CG1 3.39Å; S478-I482 PolarHBondContact O-N 2.8Å; Y479-I482 PolarHBondContact O-N 3.08Å; I482-N485 PolarHBondContact O-N 3.32Å; I482-L486 HydrophobicContact CG2-CD1 3.94Å; I482-L486 WeakPolarHBondContact O-CG 3.39Å; I482-L486 PolarHBondContact O-N 3.03Å
483N59.5Low64.5Low80 Ų8081.6 Ų81.643%0.42844%0.436SS..Hα-helixtrans-68.5-40.3179.7-73.1-25.4000112.2Y479 N485 L486 L487Y479-N483 VanDerWaalsContact O-CB 3.29Å; Y479-N483 WeakPolarHBondContact O-CB 3.29Å; Y479-N483 VanDerWaalsContact O-CG 3.3Å; Y479-N483 PolarHBondContact O-N 2.84Å; Y479-N483 PolarHBondContact O-ND2 3.05Å; N483-N485 VanDerWaalsContact C-N 3.32Å; N483-N485 PolarHBondContact O-N 2.5Å; N483-L486 PolarHBondContact O-N 3.05Å; N483-L487 WeakPolarHBondContact O-CG 3.22Å; N483-L487 PolarHBondContact O-N 3.4Å
484N57.7Low62.3Low100 Ų10081.6 Ų81.654%0.53545%0.447SS..Hα-helixtrans-65.4-35.9175.7-73.1-31.8000112D480 A488D480-N484 WeakPolarHBondContact O-CB 3.34Å; D480-N484 PolarHBondContact O-N 2.88Å; D480-N484 PolarHBondContact O-ND2 2.82Å; N484-A488 WeakPolarHBondContact O-CB 3.5Å; N484-A488 PolarHBondContact O-N 2.84Å
485N55.8Low60.2Low87 Ų8785.5 Ų85.547%0.46548%0.475SS..Hα-helixtrans-70.7-36.7174-75.1-20000112.6V481 I482 N483 A488 V489V481-N485 WeakPolarHBondContact O-CB 3.31Å; V481-N485 PolarHBondContact O-N 2.99Å; V481-N485 VanDerWaalsContact O-N 3.12Å; V481-N485 PolarHBondContact O-ND2 3.01Å; I482-N485 PolarHBondContact O-N 3.32Å; N483-N485 VanDerWaalsContact C-N 3.32Å; N483-N485 PolarHBondContact O-N 2.5Å; N485-A488 PolarHBondContact O-N 2.96Å; N485-V489 VanDerWaalsContact O-CG2 3.25Å; N485-V489 WeakPolarHBondContact O-CG2 3.5Å; N485-V489 PolarHBondContact O-N 3.43Å
486L51.6Low57.7Low110 Ų11087.1 Ų87.158%0.57650%0.497SS*.Hα-helixtrans-65.8-39.7174.4-74.5164.7000111.7I482 N483 V489 S490I482-L486 HydrophobicContact CG2-CD1 3.94Å; I482-L486 WeakPolarHBondContact O-CG 3.39Å; I482-L486 PolarHBondContact O-N 3.03Å; N483-L486 PolarHBondContact O-N 3.05Å; L486-V489 PolarHBondContact O-N 2.99Å; L486-S490 WeakPolarHBondContact O-CB 3.42Å; L486-S490 PolarHBondContact O-N 3.15Å; L486-S490 PolarHBondContact O-OG 2.78Å
487L47.7Very low55.2Low95 Ų9591.3 Ų91.350%0.49752%0.52SS..Hα-helixtrans-64.9-43.1173.8-74.2166.7000111.7N483 V489 S490 M491N483-L487 WeakPolarHBondContact O-CG 3.22Å; N483-L487 PolarHBondContact O-N 3.4Å; L487-V489 PolarHBondContact O-N 3.01Å; L487-S490 WeakPolarHBondContact CA-OG 3.38Å; L487-S490 PolarHBondContact O-N 2.97Å; L487-S490 PolarHBondContact O-OG 3.42Å; L487-M491 WeakPolarHBondContact O-CG 3.5Å; L487-M491 PolarHBondContact O-N 3.4Å
488A52.2Low52.7Low48 Ų4898.9 Ų98.940%0.39757%0.568SS.*Hα-helixtrans-65.8-34.817700000113.3N484 N485 N492N484-A488 WeakPolarHBondContact O-CB 3.5Å; N484-A488 PolarHBondContact O-N 2.84Å; N485-A488 PolarHBondContact O-N 2.96Å; A488-N492 PolarHBondContact O-N 3.26Å; A488-N492 PolarHBondContact O-ND2 3.36Å
489V53.3Low51.3Low95 Ų95103.5 Ų103.558%0.57659%0.593SS**Hα-helixtrans-71.6-38173.91740000111N485 L486 L487 N492 C493N485-V489 VanDerWaalsContact O-CG2 3.25Å; N485-V489 WeakPolarHBondContact O-CG2 3.5Å; N485-V489 PolarHBondContact O-N 3.43Å; L486-V489 PolarHBondContact O-N 2.99Å; L487-V489 PolarHBondContact O-N 3.01Å; V489-N492 PolarHBondContact O-N 2.97Å; V489-C493 PolarHBondContact O-N 3.26Å
490S47.1Very low50.6Low61 Ų61102.4 Ų102.443%0.42760%0.599SS.*Hα-helixtrans-65.7-36.9175.671.70000113L486 L487 N492 C493L486-S490 WeakPolarHBondContact O-CB 3.42Å; L486-S490 PolarHBondContact O-N 3.15Å; L486-S490 PolarHBondContact O-OG 2.78Å; L487-S490 WeakPolarHBondContact CA-OG 3.38Å; L487-S490 PolarHBondContact O-N 2.97Å; L487-S490 PolarHBondContact O-OG 3.42Å; S490-N492 PolarHBondContact O-N 3.27Å; S490-C493 PolarHBondContact O-N 3.22Å
491M51Low49.9Very low140 Ų140103.1 Ų103.169%0.6961%0.605SS**Hα-helixtrans-73.7-24.1178.1-72.7-174.8172.400113.5L487L487-M491 WeakPolarHBondContact O-CG 3.5Å; L487-M491 PolarHBondContact O-N 3.4Å
492N49.9Very low49.3Very low123 Ų123105 Ų10566%0.65862%0.616SS**Hα-helixtrans-87.2-13.1177.4-78.8-25.1000113.8A488 V489 S490A488-N492 PolarHBondContact O-N 3.26Å; A488-N492 PolarHBondContact O-ND2 3.36Å; V489-N492 PolarHBondContact O-N 2.97Å; S490-N492 PolarHBondContact O-N 3.27Å
493C47Very low48.8Very low95 Ų95107.8 Ų107.864%0.64264%0.635SS**Hα-helixtrans-86.1-20.3174-72.50000113.3V489 S490V489-C493 PolarHBondContact O-N 3.26Å; S490-C493 PolarHBondContact O-N 3.22Å
494D48.9Very low48.1Very low156 Ų156109.6 Ų109.683%0.83465%0.649SS**THydrogen-bonded Turntrans-90.5-2.2-180-78.8-20.8000114.3
495S48.6Very low47.4Very low94 Ų94110.3 Ų110.366%0.65766%0.657SS**THydrogen-bonded Turntrans-103.216.117954.30000114.7
496G40.1Very low46.7Very low54 Ų54112.1 Ų112.156%0.55767%0.672SS**  trans-129.556.6-17400000114.1
497N35.5Very low46.3Very low165 Ų165112.3 Ų112.388%0.88268%0.68SS**  trans-160.280.3164.4-91.9-32.3000110.1
498V34.7Very low46.2Very low221 Ų221113.8 Ų113.8100%1.33970%0.696SS**  trans-1420154179.30000108

Retrieved 498 of 498 residues in 253.6 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).