A0A3Q0KUT5_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession A0A3Q0KUT5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 425 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
1M32.4Very low47.3Very low242 Ų242126.5 Ų126.5100%1.19267%0.667SS**  0125.60-72.7-177.5175.600107.7
2E26.8Very low50.6Low188 Ų188116.6 Ų116.688%0.87962%0.617SS**  trans-78.8127.7177-169.6163-13800109.8R4E2-R4 VanDerWaalsContact C-N 3.29Å; E2-R4 PolarHBondContact O-N 3.19Å
3S29.6Very low53.8Low112 Ų112113.7 Ų113.778%0.78360%0.601SS**  trans-72.480.6-173-63.60000111.2K5S3-K5 PolarHBondContact O-N 3.15Å
4R32.4Very low56.7Low231 Ų231105.6 Ų105.687%0.87256%0.558SS**  trans-51.7101.4167.8-76.8-173.8175.4-176.6-1.6108.6E2 V6E2-R4 VanDerWaalsContact C-N 3.29Å; E2-R4 PolarHBondContact O-N 3.19Å; R4-V6 HydrophobicContact CB-CG2 4.33Å; R4-V6 PolarHBondContact O-N 2.71Å
5K41Very low59Low201 Ų201100.5 Ų100.587%0.87454%0.541SS*.  trans-65.183.3162.9-77.4-174.4176.31790107.1S3 S7S3-K5 PolarHBondContact O-N 3.15Å; K5-S7 PolarHBondContact O-N 3.4Å
6V38.9Very low61.1Low79 Ų7998.2 Ų98.248%0.47955%0.548SS..  trans-65.589.5168-179.60000105.9R4 L8R4-V6 HydrophobicContact CB-CG2 4.33Å; R4-V6 PolarHBondContact O-N 2.71Å; V6-L8 PolarHBondContact O-N 2.69Å
7S53.3Low63.1Low79 Ų7999.8 Ų99.855%0.55255%0.548SS*.  trans-45.9139.7167.9-174.90000108.1K5 S9K5-S7 PolarHBondContact O-N 3.4Å; S7-S9 PolarHBondContact O-N 2.89Å
8L61.4Low64.9Low13 Ų1395.5 Ų95.57%0.06852%0.522CS..PPolyproline II helixtrans-54.7138.7157.7-68105000107.2V6 A10 L20 L48 D83 Y89V6-L8 PolarHBondContact O-N 2.69Å; L8-A10 PolarHBondContact O-N 3.19Å; L8-L20 HydrophobicContact CB-CD1 4.3Å; L8-L20 HydrophobicContact CD2-CD1 4.02Å; L8-L48 HydrophobicContact CD1-CD1 3.66Å; L8-D83 HydrophobicContact CD2-CB 4.24Å; L8-Y89 HydrophobicContact CD1-CD2 3.84Å; L8-Y89 HydrophobicContact CD1-CE1 4.26Å; L8-Y89 HydrophobicContact CD1-CE2 3.58Å; L8-Y89 HydrophobicContact CD1-CG 4.31Å; L8-Y89 HydrophobicContact CD2-CD2 4.28Å; L8-Y89 HydrophobicContact CG-CD2 4.29Å; L8-Y89 HydrophobicContact CG-CE2 4.06Å
9S63.4Low66.5Low77 Ų7794.8 Ų94.854%0.53851%0.511SS..PPolyproline II helixtrans-57.7133173.939.30000108.7S7 N11 A12S7-S9 PolarHBondContact O-N 2.89Å; S9-N11 PolarHBondContact O-N 3.5Å; S9-A12 VanDerWaalsContact O-CB 3.28Å; S9-A12 WeakPolarHBondContact O-CB 3.33Å; S9-A12 PolarHBondContact O-N 2.55Å
10A65.4Low67.9Low67 Ų6790.3 Ų90.355%0.55449%0.487SS*.THydrogen-bonded Turntrans-53.2138.5162.600000107.8L8L8-A10 PolarHBondContact O-N 3.19Å
11N75.7Confident69.2Low103 Ų10388.9 Ų88.955%0.55148%0.481SS*.THydrogen-bonded Turntrans79.85-168.8-44.5-73.9000117.8S9 R19 L20S9-N11 PolarHBondContact O-N 3.5Å; N11-R19 HydrophobicContact CB-CG 4.28Å; N11-R19 WeakPolarHBondContact OD1-CD 3.45Å; N11-L20 WeakPolarHBondContact CA-O 3.37Å; N11-L20 PolarHBondContact N-O 3.45Å
12A86.7Confident72.1Confident7 Ų782.4 Ų82.46%0.05844%0.443CS..  trans-58.9140.2170.400000112.4S9 L20 V85S9-A12 VanDerWaalsContact O-CB 3.28Å; S9-A12 WeakPolarHBondContact O-CB 3.33Å; S9-A12 PolarHBondContact O-N 2.55Å; A12-L20 HydrophobicContact CB-CD1 3.95Å; A12-L20 PolarHBondContact O-N 3.38Å; A12-V85 HydrophobicContact CB-CG2 4.18Å
13L92.5Very high75.3Confident79 Ų7978.3 Ų78.341%0.41442%0.423SS..EExtended strand (participates in β ladder)trans-102.4105.9-174.7-77.6168.6000112.7R19 M38L13-R19 HydrophobicContact CD2-CB 4.08Å; L13-M38 HydrophobicContact CD2-CG 3.64Å; L13-M38 HydrophobicContact CD2-SD 4.41Å
14I93.8Very high78.3Confident0 Ų075.2 Ų75.20%040%0.397CS..EExtended strand (participates in β ladder)trans-78.9133.3174-58.2-58.5000110.1G16 K17 W18 L20 I46 L48 W79 D83 A91 V93I14-G16 PolarHBondContact O-N 3.23Å; I14-K17 PolarHBondContact O-N 3.42Å; I14-W18 PolarHBondContact N-O 3.23Å; I14-W18 PolarHBondContact O-N 2.85Å; I14-L20 HydrophobicContact CD1-CD1 3.84Å; I14-L20 HydrophobicContact CG1-CD1 3.81Å; I14-L20 HydrophobicContact CG1-CG 3.99Å; I14-I46 HydrophobicContact CB-CD1 4.46Å; I14-I46 HydrophobicContact CG1-CD1 4.22Å; I14-I46 HydrophobicContact CG1-CG2 4.29Å; I14-L48 HydrophobicContact CD1-CD2 4.49Å; I14-W79 HydrophobicContact CG2-CE3 3.96Å; I14-W79 HydrophobicContact CG2-CH2 4.44Å; I14-W79 HydrophobicContact CG2-CZ3 3.65Å; I14-D83 HydrophobicContact CD1-CB 3.87Å; I14-A91 HydrophobicContact CD1-CB 4.17Å; I14-A91 HydrophobicContact CG2-CB 3.69Å; I14-V93 HydrophobicContact CG2-CG2 3.86Å
15G92.1Very high81Confident29 Ų2965.5 Ų65.530%0.29937%0.369SS..THydrogen-bonded Turntrans5817.817900000114.8K17G15-K17 PolarHBondContact O-N 3.45Å
16G91.9Very high83Confident64 Ų6458.2 Ų58.266%0.6635%0.351SS*.THydrogen-bonded Turntrans66.98.9-172.600000115.3I14I14-G16 PolarHBondContact O-N 3.23Å
17K94.6Very high84.6Confident125 Ų12556.9 Ų56.954%0.54335%0.353SS..THydrogen-bonded Turntrans-135.6-29.4-170.6-66.4-175.7-179-173.80115.3I14 G15 M38I14-K17 PolarHBondContact O-N 3.42Å; G15-K17 PolarHBondContact O-N 3.45Å; K17-M38 WeakPolarHBondContact O-CB 3.29Å; K17-M38 WeakPolarHBondContact O-CG 3.38Å; K17-M38 PolarHBondContact O-N 2.97Å
18W96.4Very high85.2Confident23 Ų2355.9 Ų55.99%0.08735%0.346CS..EExtended strand (participates in β ladder)trans-113.2113.6-175-61.2-83000111.1I14 Q36 V44 I46 W79 V93I14-W18 PolarHBondContact N-O 3.23Å; I14-W18 PolarHBondContact O-N 2.85Å; W18-Q36 CarbonylContact C-O 3.45Å; W18-Q36 VanDerWaalsContact CA-O 3.31Å; W18-Q36 WeakPolarHBondContact CA-O 3.01Å; W18-V44 HydrophobicContact CB-CG2 4.45Å; W18-V44 HydrophobicContact CG-CG2 4.27Å; W18-I46 HydrophobicContact CB-CD1 4.07Å; W18-W79 HydrophobicContact CE3-CB 4.34Å; W18-W79 HydrophobicContact CH2-CB 3.64Å; W18-W79 HydrophobicContact CH2-CG 4.11Å; W18-W79 HydrophobicContact CZ3-CB 3.49Å; W18-W79 VanDerWaalsContact CZ3-CB 3.49Å; W18-W79 AromaticContact CZ3-CD1 3.91Å; W18-W79 HydrophobicContact CZ3-CD2 4.24Å; W18-W79 AromaticContact CZ3-CG 3.6Å; W18-W79 HydrophobicContact CZ3-CG 3.6Å; W18-V93 HydrophobicContact CB-CG2 4.49Å; W18-V93 HydrophobicContact CD2-CB 4.38Å; W18-V93 HydrophobicContact CD2-CG1 3.88Å; W18-V93 HydrophobicContact CD2-CG2 4.13Å; W18-V93 HydrophobicContact CE3-CB 4.49Å; W18-V93 HydrophobicContact CE3-CG1 4.48Å; W18-V93 HydrophobicContact CE3-CG2 3.98Å; W18-V93 HydrophobicContact CG-CG1 3.86Å; W18-V93 HydrophobicContact CG-CG2 4.35Å
19R95.5Very high85.8Confident83 Ų8356.4 Ų56.431%0.31335%0.348SS..EExtended strand (participates in β ladder)trans-76.4127.9177.1179.8-169.3-76.2168.2-5.2109.7N11 L13 V21 G35 Q36 M38N11-R19 HydrophobicContact CB-CG 4.28Å; N11-R19 WeakPolarHBondContact OD1-CD 3.45Å; L13-R19 HydrophobicContact CD2-CB 4.08Å; R19-V21 PolarHBondContact O-N 3.45Å; R19-G35 CarbonylContact O-C 3.58Å; R19-G35 WeakPolarHBondContact O-CA 3.42Å; R19-Q36 PolarHBondContact N-O 3.01Å; R19-Q36 PolarHBondContact O-N 3.4Å; R19-M38 HydrophobicContact CB-CG 4.27Å; R19-M38 HydrophobicContact CB-SD 3.73Å; R19-M38 HydrophobicContact CG-SD 4.49Å; R19-M38 VanDerWaalsContact CZ-SD 3.59Å; R19-M38 PolarHBondContact NE-SD 3.21Å
20L94.4Very high86.7Confident3 Ų353.4 Ų53.42%0.01633%0.329CS..EExtended strand (participates in β ladder)trans-70120.9167.5-82.3160.2000110.3L8 N11 A12 I14 Y33 I46 L48L8-L20 HydrophobicContact CB-CD1 4.3Å; L8-L20 HydrophobicContact CD2-CD1 4.02Å; N11-L20 WeakPolarHBondContact CA-O 3.37Å; N11-L20 PolarHBondContact N-O 3.45Å; A12-L20 HydrophobicContact CB-CD1 3.95Å; A12-L20 PolarHBondContact O-N 3.38Å; I14-L20 HydrophobicContact CD1-CD1 3.84Å; I14-L20 HydrophobicContact CG1-CD1 3.81Å; I14-L20 HydrophobicContact CG1-CG 3.99Å; L20-Y33 HydrophobicContact CD2-CD1 3.82Å; L20-Y33 HydrophobicContact CD2-CD2 4.22Å; L20-Y33 HydrophobicContact CD2-CG 3.57Å; L20-I46 HydrophobicContact CD2-CB 4.28Å; L20-I46 HydrophobicContact CD2-CD1 4.02Å; L20-I46 HydrophobicContact CD2-CG2 4.25Å; L20-I46 HydrophobicContact CG-CD1 4.22Å; L20-L48 HydrophobicContact CD1-CD1 4.29Å; L20-L48 HydrophobicContact CD2-CD1 4.19Å
21V95Very high88Confident62 Ų6252.8 Ų52.838%0.37632%0.316SS..EExtended strand (participates in β ladder)trans-98.7-67.2-177-177.30000110.8R19 L34 Q36R19-V21 PolarHBondContact O-N 3.45Å; V21-L34 HydrophobicContact CB-CB 4.45Å; V21-L34 HydrophobicContact CB-CD2 4.25Å; V21-L34 HydrophobicContact CB-CG 4.15Å; V21-L34 WeakPolarHBondContact CB-O 3.31Å; V21-L34 HydrophobicContact CG1-CD2 4.15Å; V21-L34 HydrophobicContact CG2-CG 4.47Å; V21-L34 PolarHBondContact N-O 2.91Å; V21-Q36 HydrophobicContact CG2-CB 4.11Å
22R93.8Very high88.9Confident105 Ų10550.6 Ų50.640%0.39630%0.304SS..EExtended strand (participates in β ladder)trans-151.1157.7-177.160176.2167.5128.11.5111.3I24 Y33 L34 R425R22-I24 HydrophobicContact CG-CG2 4.22Å; R22-Y33 VanDerWaalsContact C-CD1 3.43Å; R22-Y33 CarbonylContact O-C 3.53Å; R22-Y33 VanDerWaalsContact O-CA 3.23Å; R22-Y33 WeakPolarHBondContact O-CA 3.5Å; R22-Y33 WeakPolarHBondContact O-CB 3.35Å; R22-Y33 WeakPolarHBondContact O-CD1 3.4Å; R22-L34 HydrophobicContact CG-CB 3.94Å; R22-L34 HydrophobicContact CG-CD2 4.08Å; R22-L34 PolarHBondContact N-O 3.47Å; R22-L34 PolarHBondContact O-N 2.98Å; R22-R425 PolarHBondContact NH1-OXT 2.85Å; R22-R425 PolarHBondContact NH2-O 2.8Å; R22-R425 PolarHBondContact NH2-OXT 3.36Å
23K93.9Very high89.3Confident102 Ų10251.7 Ų51.744%0.44331%0.307SS..EExtended strand (participates in β ladder)trans-73.3135.4170.7-170.7172.6178.3170.40109.7G25 D31 Y33K23-G25 WeakPolarHBondContact CE-O 3.26Å; K23-G25 WeakPolarHBondContact CG-O 3.49Å; K23-D31 VanDerWaalsContact CE-OD1 3.28Å; K23-D31 WeakPolarHBondContact CE-OD1 3.31Å; K23-D31 WeakPolarHBondContact CE-OD2 3.46Å; K23-D31 IonicContact NZ-OD1 2.67Å; K23-D31 PolarHBondContact NZ-OD1 3.42Å; K23-D31 IonicContact NZ-OD2 2.73Å; K23-D31 PolarHBondContact NZ-OD2 3.26Å; K23-Y33 HydrophobicContact CB-CD1 4.08Å; K23-Y33 HydrophobicContact CB-CE1 3.85Å; K23-Y33 HydrophobicContact CG-CE2 4.42Å
24I93Very high89.5Confident47 Ų4748.1 Ų48.124%0.24129%0.288CS..EExtended strand (participates in β ladder)trans-122.8-9.1178.162.1176.1000113.3R22 I32 L34 L96R22-I24 HydrophobicContact CG-CG2 4.22Å; I24-I32 HydrophobicContact CD1-CG2 4.14Å; I24-I32 HydrophobicContact CG1-CB 4.44Å; I24-I32 HydrophobicContact CG1-CG2 3.92Å; I24-I32 PolarHBondContact N-O 3.47Å; I24-L34 HydrophobicContact CD1-CB 4.44Å; I24-L34 HydrophobicContact CG2-CB 3.74Å; I24-L96 HydrophobicContact CD1-CD1 3.79Å
25G88.8Confident89.6Confident28 Ų2848.1 Ų48.129%0.28929%0.288SS..EExtended strand (participates in β ladder)trans-174.5-176.5175.800000112.5K23 I32K23-G25 WeakPolarHBondContact CE-O 3.26Å; K23-G25 WeakPolarHBondContact CG-O 3.49Å; G25-I32 PolarHBondContact N-O 3.46Å; G25-I32 PolarHBondContact O-N 2.95Å; G25-I32 VanDerWaalsContact O-O 3.13Å
26G83.3Confident89.9Confident48 Ų4850 Ų5050%0.49529%0.289SS..EExtended strand (participates in β ladder)trans-179.6159.9173.900000111.2G30G26-G30 WeakPolarHBondContact CA-O 3.44Å
27G70.9Confident90.2Very high50 Ų5048.3 Ų48.352%0.51527%0.265SS..EExtended strand (participates in β ladder)trans-156.8-167-177.700000112.1F29 G30G27-F29 PolarHBondContact O-N 3.07Å; G27-G30 PolarHBondContact N-O 3.17Å; G27-G30 PolarHBondContact O-N 3.48Å
28S67.6Low90.2Very high58 Ų5846.7 Ų46.741%0.40626%0.26SS..THydrogen-bonded Turntrans-59.9-19.2-175.9460000115.4
29F72.3Confident90.2Very high25 Ų2553 Ų5311%0.1130%0.295CS..THydrogen-bonded Turntrans-115-3.1-172.5-48.4-55.5000114G27 Q57 L164 A334G27-F29 PolarHBondContact O-N 3.07Å; F29-Q57 HydrophobicContact CD1-CG 4.37Å; F29-L164 HydrophobicContact CZ-CD2 4.34Å; F29-A334 HydrophobicContact CE1-CB 3.58Å; F29-A334 HydrophobicContact CZ-CB 3.95Å
30G83Confident90.3Very high13 Ų1352.9 Ų52.913%0.13430%0.304CS..EExtended strand (participates in β ladder)trans157177.1-177.500000114.4G26 G27 L48G26-G30 WeakPolarHBondContact CA-O 3.44Å; G27-G30 PolarHBondContact N-O 3.17Å; G27-G30 PolarHBondContact O-N 3.48Å; G30-L48 CarbonylContact C-O 3.49Å; G30-L48 WeakPolarHBondContact CA-O 3.38Å
31D92.2Very high90.3Very high54 Ų5454.4 Ų54.429%0.28932%0.32SS..EExtended strand (participates in β ladder)trans-102.5148.2177.1-78.2-18000111K23 Y33 L48K23-D31 VanDerWaalsContact CE-OD1 3.28Å; K23-D31 WeakPolarHBondContact CE-OD1 3.31Å; K23-D31 WeakPolarHBondContact CE-OD2 3.46Å; K23-D31 IonicContact NZ-OD1 2.67Å; K23-D31 PolarHBondContact NZ-OD1 3.42Å; K23-D31 IonicContact NZ-OD2 2.73Å; K23-D31 PolarHBondContact NZ-OD2 3.26Å; D31-Y33 HydrophobicContact CB-CD2 4.26Å; D31-Y33 HydrophobicContact CB-CE2 3.68Å; D31-L48 PolarHBondContact N-O 3.43Å; D31-L48 PolarHBondContact O-N 2.97Å
32I94.8Very high90.4Very high58 Ų5855.7 Ų55.730%0.29732%0.324SS..EExtended strand (participates in β ladder)trans-114.7127.4178.7-52178.9000109I24 G25 A45 I46 K47I24-I32 HydrophobicContact CD1-CG2 4.14Å; I24-I32 HydrophobicContact CG1-CB 4.44Å; I24-I32 HydrophobicContact CG1-CG2 3.92Å; I24-I32 PolarHBondContact N-O 3.47Å; G25-I32 PolarHBondContact N-O 3.46Å; G25-I32 PolarHBondContact O-N 2.95Å; G25-I32 VanDerWaalsContact O-O 3.13Å; I32-A45 HydrophobicContact CG2-CB 4.49Å; I32-I46 WeakPolarHBondContact CA-O 3.11Å; I32-K47 HydrophobicContact CG1-CG 4.25Å
33Y95.8Very high90.6Very high29 Ų2955.7 Ų55.711%0.11433%0.329CS..EExtended strand (participates in β ladder)trans-118147-179.5-73.5-107.3000111.1L20 R22 K23 D31 I46 L48L20-Y33 HydrophobicContact CD2-CD1 3.82Å; L20-Y33 HydrophobicContact CD2-CD2 4.22Å; L20-Y33 HydrophobicContact CD2-CG 3.57Å; R22-Y33 VanDerWaalsContact C-CD1 3.43Å; R22-Y33 CarbonylContact O-C 3.53Å; R22-Y33 VanDerWaalsContact O-CA 3.23Å; R22-Y33 WeakPolarHBondContact O-CA 3.5Å; R22-Y33 WeakPolarHBondContact O-CB 3.35Å; R22-Y33 WeakPolarHBondContact O-CD1 3.4Å; K23-Y33 HydrophobicContact CB-CD1 4.08Å; K23-Y33 HydrophobicContact CB-CE1 3.85Å; K23-Y33 HydrophobicContact CG-CE2 4.42Å; D31-Y33 HydrophobicContact CB-CD2 4.26Å; D31-Y33 HydrophobicContact CB-CE2 3.68Å; Y33-I46 PolarHBondContact N-O 3.37Å; Y33-I46 PolarHBondContact O-N 3.2Å; Y33-L48 HydrophobicContact CD2-CD1 3.79Å; Y33-L48 HydrophobicContact CD2-CG 4.3Å; Y33-L48 HydrophobicContact CE2-CD1 3.83Å
34L96.7Very high90.7Very high5 Ų551 Ų513%0.02631%0.309CS..EExtended strand (participates in β ladder)trans-68.6130.4156175.965000107.9V21 R22 I24 E43 L96V21-L34 HydrophobicContact CB-CB 4.45Å; V21-L34 HydrophobicContact CB-CD2 4.25Å; V21-L34 HydrophobicContact CB-CG 4.15Å; V21-L34 WeakPolarHBondContact CB-O 3.31Å; V21-L34 HydrophobicContact CG1-CD2 4.15Å; V21-L34 HydrophobicContact CG2-CG 4.47Å; V21-L34 PolarHBondContact N-O 2.91Å; R22-L34 HydrophobicContact CG-CB 3.94Å; R22-L34 HydrophobicContact CG-CD2 4.08Å; R22-L34 PolarHBondContact N-O 3.47Å; R22-L34 PolarHBondContact O-N 2.98Å; I24-L34 HydrophobicContact CD1-CB 4.44Å; I24-L34 HydrophobicContact CG2-CB 3.74Å; L34-E43 HydrophobicContact CD1-CB 3.93Å; L34-E43 HydrophobicContact CD1-CG 4.19Å; L34-L96 HydrophobicContact CD1-CD1 4.39Å; L34-L96 HydrophobicContact CD1-CD2 3.77Å
35G96.7Very high91Very high0 Ų049.3 Ų49.30%030%0.302CS..EExtended strand (participates in β ladder)trans-124165.9166.700000112R19 E43 V44R19-G35 CarbonylContact O-C 3.58Å; R19-G35 WeakPolarHBondContact O-CA 3.42Å; G35-E43 WeakPolarHBondContact O-CA 3.13Å; G35-V44 PolarHBondContact N-O 3.07Å; G35-V44 WeakPolarHBondContact O-CG2 3.31Å; G35-V44 PolarHBondContact O-N 3.14Å
36Q97.6Very high91.3Very high69 Ų6948 Ų4832%0.32229%0.288SS..EExtended strand (participates in β ladder)trans-127133176.3-170.9174.140.200110.7W18 R19 V21 M38 G41 D42W18-Q36 CarbonylContact C-O 3.45Å; W18-Q36 VanDerWaalsContact CA-O 3.31Å; W18-Q36 WeakPolarHBondContact CA-O 3.01Å; R19-Q36 PolarHBondContact N-O 3.01Å; R19-Q36 PolarHBondContact O-N 3.4Å; V21-Q36 HydrophobicContact CG2-CB 4.11Å; Q36-M38 PolarHBondContact O-N 2.91Å; Q36-G41 WeakPolarHBondContact CG-O 3.19Å; Q36-G41 PolarHBondContact NE2-O 3.38Å; Q36-D42 CarbonylContact C-O 3.38Å; Q36-D42 WeakPolarHBondContact CA-O 3.4Å
37N97.4Very high91.9Very high28 Ų2846.6 Ų46.615%0.1527%0.269CS..EExtended strand (participates in β ladder)trans-71.1115.2171.1-176.5-6.7000109.9L39 T40 G41 D42N37-L39 PolarHBondContact O-N 3.24Å; N37-L39 VanDerWaalsContact O-N 3.14Å; N37-L39 PolarHBondContact OD1-N 3.09Å; N37-T40 WeakPolarHBondContact CB-OG1 3.28Å; N37-T40 VanDerWaalsContact CG-OG1 3.24Å; N37-T40 PolarHBondContact ND2-OG1 3.11Å; N37-T40 PolarHBondContact O-N 3.29Å; N37-G41 WeakPolarHBondContact O-CA 3.49Å; N37-G41 PolarHBondContact O-N 2.69Å; N37-D42 HydrophobicContact CB-CB 4.21Å; N37-D42 PolarHBondContact N-O 2.89Å
38M96Very high93.1Very high91 Ų9144.4 Ų44.445%0.44825%0.245SC..THydrogen-bonded Turntrans-65.2-16.4-175.6-72.6-57.1-44.900114.7L13 K17 R19 Q36L13-M38 HydrophobicContact CD2-CG 3.64Å; L13-M38 HydrophobicContact CD2-SD 4.41Å; K17-M38 WeakPolarHBondContact O-CB 3.29Å; K17-M38 WeakPolarHBondContact O-CG 3.38Å; K17-M38 PolarHBondContact O-N 2.97Å; R19-M38 HydrophobicContact CB-CG 4.27Å; R19-M38 HydrophobicContact CB-SD 3.73Å; R19-M38 HydrophobicContact CG-SD 4.49Å; R19-M38 VanDerWaalsContact CZ-SD 3.59Å; R19-M38 PolarHBondContact NE-SD 3.21Å; Q36-M38 PolarHBondContact O-N 2.91Å
39L95.8Very high94.4Very high156 Ų15641.7 Ų41.782%0.81723%0.226SC*.THydrogen-bonded Turntrans-93.9-37.5-179.7-178.961.5000113.3N37N37-L39 PolarHBondContact O-N 3.24Å; N37-L39 VanDerWaalsContact O-N 3.14Å; N37-L39 PolarHBondContact OD1-N 3.09Å
40T96.6Very high95.4Very high80 Ų8042.6 Ų42.649%0.49123%0.234SC..THydrogen-bonded Turntrans-111-15.2-172.757.40000113.7N37 D42N37-T40 WeakPolarHBondContact CB-OG1 3.28Å; N37-T40 VanDerWaalsContact CG-OG1 3.24Å; N37-T40 PolarHBondContact ND2-OG1 3.11Å; N37-T40 PolarHBondContact O-N 3.29Å; T40-D42 WeakPolarHBondContact CB-OD2 3.18Å; T40-D42 PolarHBondContact O-N 2.93Å; T40-D42 PolarHBondContact OG1-N 3.16Å; T40-D42 PolarHBondContact OG1-OD2 3.31Å
41G95.5Very high95.8Very high35 Ų3545.4 Ų45.436%0.36125%0.249SC..  trans81.1-8.2-171.900000114.6Q36 N37Q36-G41 WeakPolarHBondContact CG-O 3.19Å; Q36-G41 PolarHBondContact NE2-O 3.38Å; N37-G41 WeakPolarHBondContact O-CA 3.49Å; N37-G41 PolarHBondContact O-N 2.69Å
42D96.1Very high95.9Very high88 Ų8848.9 Ų48.947%0.47127%0.272SS..  trans-57137.5-177.2-61.6-45.9000112.5Q36 N37 T40Q36-D42 CarbonylContact C-O 3.38Å; Q36-D42 WeakPolarHBondContact CA-O 3.4Å; N37-D42 HydrophobicContact CB-CB 4.21Å; N37-D42 PolarHBondContact N-O 2.89Å; T40-D42 WeakPolarHBondContact CB-OD2 3.18Å; T40-D42 PolarHBondContact O-N 2.93Å; T40-D42 PolarHBondContact OG1-N 3.16Å; T40-D42 PolarHBondContact OG1-OD2 3.31Å
43E97.7Very high95.8Very high106 Ų10647.6 Ų47.650%0.49527%0.27SS..EExtended strand (participates in β ladder)trans-82.5140.8172.4-64.1-167.7121.400112L34 G35 L96L34-E43 HydrophobicContact CD1-CB 3.93Å; L34-E43 HydrophobicContact CD1-CG 4.19Å; G35-E43 WeakPolarHBondContact O-CA 3.13Å; E43-L96 HydrophobicContact CB-CD2 3.75Å
44V98Very high95.5Very high3 Ų355.3 Ų55.32%0.01830%0.299CS..EExtended strand (participates in β ladder)trans-137.1155-177.4-68.20000111.1W18 G35 I46 Y78 V93W18-V44 HydrophobicContact CB-CG2 4.45Å; W18-V44 HydrophobicContact CG-CG2 4.27Å; G35-V44 PolarHBondContact N-O 3.07Å; G35-V44 WeakPolarHBondContact O-CG2 3.31Å; G35-V44 PolarHBondContact O-N 3.14Å; V44-I46 HydrophobicContact CG2-CD1 4.47Å; V44-I46 HydrophobicContact CG2-CG1 4.16Å; V44-Y78 HydrophobicContact CG1-CD2 4.31Å; V44-Y78 HydrophobicContact CG1-CE2 4.12Å; V44-V93 HydrophobicContact CB-CG1 3.85Å; V44-V93 HydrophobicContact CG1-CG1 4.15Å; V44-V93 HydrophobicContact CG2-CG1 3.73Å
45A97.6Very high95.1Very high11 Ų1158.2 Ų58.29%0.09131%0.312CS..EExtended strand (participates in β ladder)trans-89135.7165.100000110.2I32 V93 M94 L96I32-A45 HydrophobicContact CG2-CB 4.49Å; A45-V93 WeakPolarHBondContact O-CA 3.15Å; A45-M94 HydrophobicContact CB-CG 3.92Å; A45-M94 PolarHBondContact N-O 3.02Å; A45-M94 PolarHBondContact O-N 2.86Å; A45-L96 HydrophobicContact CB-CD1 4.32Å
46I96.5Very high94.9Very high0 Ų061.7 Ų61.70%034%0.335CS..EExtended strand (participates in β ladder)trans-120.5108.8175.9-52.8-175.2000108.7I14 W18 L20 I32 Y33 V44 L48 A91 M92 V93I14-I46 HydrophobicContact CB-CD1 4.46Å; I14-I46 HydrophobicContact CG1-CD1 4.22Å; I14-I46 HydrophobicContact CG1-CG2 4.29Å; W18-I46 HydrophobicContact CB-CD1 4.07Å; L20-I46 HydrophobicContact CD2-CB 4.28Å; L20-I46 HydrophobicContact CD2-CD1 4.02Å; L20-I46 HydrophobicContact CD2-CG2 4.25Å; L20-I46 HydrophobicContact CG-CD1 4.22Å; I32-I46 WeakPolarHBondContact CA-O 3.11Å; Y33-I46 PolarHBondContact N-O 3.37Å; Y33-I46 PolarHBondContact O-N 3.2Å; V44-I46 HydrophobicContact CG2-CD1 4.47Å; V44-I46 HydrophobicContact CG2-CG1 4.16Å; I46-L48 HydrophobicContact CG2-CD2 3.63Å; I46-L48 HydrophobicContact CG2-CG 4.13Å; I46-A91 HydrophobicContact CG2-CB 4.41Å; I46-M92 WeakPolarHBondContact CA-O 3.41Å; I46-V93 HydrophobicContact CG1-CG1 4.41Å; I46-V93 HydrophobicContact CG1-CG2 4.24Å; I46-V93 HydrophobicContact CG2-CG2 4.5Å
47K95.8Very high94.7Very high20 Ų2059.6 Ų59.69%0.08733%0.325CS..EExtended strand (participates in β ladder)trans-90.9126.3174.5-167.1174.2-171.2-170.10109I32 L58 E61 A91 M92 D161I32-K47 HydrophobicContact CG1-CG 4.25Å; K47-L58 HydrophobicContact CB-CD1 4.1Å; K47-L58 HydrophobicContact CD-CD1 3.65Å; K47-L58 HydrophobicContact CG-CD1 3.79Å; K47-E61 IonicContact NZ-OE1 2.78Å; K47-E61 PolarHBondContact NZ-OE1 3.05Å; K47-E61 IonicContact NZ-OE2 2.97Å; K47-E61 PolarHBondContact NZ-OE2 3.02Å; K47-A91 WeakPolarHBondContact O-CA 3.35Å; K47-M92 HydrophobicContact CD-CE 4.27Å; K47-M92 PolarHBondContact N-O 3.42Å; K47-M92 PolarHBondContact O-N 3.31Å; K47-D161 IonicContact NZ-OD1 3.76Å; K47-D161 PolarHBondContact NZ-OD1 3.04Å
48L95Very high94.6Very high3 Ų358.4 Ų58.42%0.01632%0.319CS..EExtended strand (participates in β ladder)trans-119.3118.7-173.9-61.7-175.5000111.8L8 I14 L20 G30 D31 Y33 I46 Y89 K90 A91L8-L48 HydrophobicContact CD1-CD1 3.66Å; I14-L48 HydrophobicContact CD1-CD2 4.49Å; L20-L48 HydrophobicContact CD1-CD1 4.29Å; L20-L48 HydrophobicContact CD2-CD1 4.19Å; G30-L48 CarbonylContact C-O 3.49Å; G30-L48 WeakPolarHBondContact CA-O 3.38Å; D31-L48 PolarHBondContact N-O 3.43Å; D31-L48 PolarHBondContact O-N 2.97Å; Y33-L48 HydrophobicContact CD2-CD1 3.79Å; Y33-L48 HydrophobicContact CD2-CG 4.3Å; Y33-L48 HydrophobicContact CE2-CD1 3.83Å; I46-L48 HydrophobicContact CG2-CD2 3.63Å; I46-L48 HydrophobicContact CG2-CG 4.13Å; L48-Y89 HydrophobicContact CB-CD1 4.24Å; L48-K90 WeakPolarHBondContact CA-O 3.36Å; L48-A91 HydrophobicContact CD2-CB 3.34Å
49E95Very high94.6Very high2 Ų257.5 Ų57.51%0.00932%0.315CS..EExtended strand (participates in β ladder)trans-107.7124.2175.1172.3-176.7-7800109.7A53 P56 Q57 L58 Y89 K90E49-A53 HydrophobicContact CG-CB 4.1Å; E49-P56 WeakPolarHBondContact OE1-CA 3.32Å; E49-P56 VanDerWaalsContact OE2-CB 3.25Å; E49-P56 WeakPolarHBondContact OE2-CB 3.47Å; E49-Q57 PolarHBondContact OE1-N 2.87Å; E49-L58 HydrophobicContact CB-CB 3.82Å; E49-L58 HydrophobicContact CB-CD2 3.78Å; E49-L58 HydrophobicContact CB-CG 4.41Å; E49-L58 HydrophobicContact CG-CB 4.4Å; E49-L58 WeakPolarHBondContact OE1-CB 3.48Å; E49-L58 PolarHBondContact OE1-N 3Å; E49-Y89 CarbonylContact O-C 3.49Å; E49-Y89 WeakPolarHBondContact O-CA 3.42Å; E49-K90 PolarHBondContact N-O 3.25Å; E49-K90 PolarHBondContact O-N 3.41Å; E49-K90 WeakPolarHBondContact OE2-CD 3.4Å; E49-K90 WeakPolarHBondContact OE2-CE 3.34Å; E49-K90 IonicContact OE2-NZ 2.75Å; E49-K90 PolarHBondContact OE2-NZ 3.47Å
50P93.5Very high94.7Very high43 Ų4354.5 Ų54.528%0.27929%0.294SS..EExtended strand (participates in β ladder)trans-59.5137.3172-20.831.6000111.7T52 A53 R88 Y89P50-T52 PolarHBondContact O-N 2.95Å; P50-T52 VanDerWaalsContact O-N 3.08Å; P50-A53 VanDerWaalsContact O-CB 3.24Å; P50-A53 WeakPolarHBondContact O-CB 3.45Å; P50-A53 PolarHBondContact O-N 3.17Å; P50-R88 WeakPolarHBondContact CA-O 3.48Å; P50-Y89 HydrophobicContact CB-CD1 4.37Å; P50-Y89 HydrophobicContact CB-CE1 4.33Å; P50-Y89 HydrophobicContact CG-CD1 4.19Å; P50-Y89 HydrophobicContact CG-CE1 3.96Å
51V92.6Very high94.7Very high73 Ų7350.9 Ų50.944%0.44227%0.271SS..THydrogen-bonded Turntrans-62.6-19.4176.9-61.70000113R88 K90V51-R88 WeakPolarHBondContact CG2-O 3.3Å; V51-R88 PolarHBondContact N-O 3.03Å; V51-K90 HydrophobicContact CG1-CG 4.39Å
52T93.2Very high94.7Very high127 Ų12749.8 Ų49.878%0.77926%0.258SS*.THydrogen-bonded Turntrans-92.48.9175.854.10000114.2P50 R54P50-T52 PolarHBondContact O-N 2.95Å; P50-T52 VanDerWaalsContact O-N 3.08Å; T52-R54 PolarHBondContact O-N 3.47Å
53A91.9Very high94.8Very high31 Ų3152 Ų5226%0.25626%0.26SS..  trans-60.5130178.600000111.8E49 P50 H55 P56E49-A53 HydrophobicContact CG-CB 4.1Å; P50-A53 VanDerWaalsContact O-CB 3.24Å; P50-A53 WeakPolarHBondContact O-CB 3.45Å; P50-A53 PolarHBondContact O-N 3.17Å; A53-H55 PolarHBondContact O-N 2.87Å; A53-P56 WeakPolarHBondContact O-CD 3.29Å
54R89.7Confident94.8Very high190 Ų19047.1 Ų47.172%0.71724%0.238SC*.SBendtrans-58.8-32-178.1-168.8-174-175.7-1552.2113.2T52 E335T52-R54 PolarHBondContact O-N 3.47Å; R54-E335 IonicContact NH1-OE1 2.71Å; R54-E335 PolarHBondContact NH1-OE1 3.14Å
55H88.5Confident94.8Very high66 Ų6647 Ų4731%0.30624%0.237SC..SBendtrans-13479.4-179-58.8-59.5000109.5A53 A334A53-H55 PolarHBondContact O-N 2.87Å; H55-A334 PolarHBondContact CD2-O 3.41Å; H55-A334 VanDerWaalsContact CD2-O 3.29Å
56P92.5Very high94.7Very high74 Ų7454.8 Ų54.848%0.48126%0.264SS..  trans-74.9132-175.729.9-32.4000111.3E49 A53E49-P56 WeakPolarHBondContact OE1-CA 3.32Å; E49-P56 VanDerWaalsContact OE2-CB 3.25Å; E49-P56 WeakPolarHBondContact OE2-CB 3.47Å; A53-P56 WeakPolarHBondContact O-CD 3.29Å
57Q93.8Very high94.7Very high24 Ų2457.8 Ų57.811%0.11228%0.282CS..  trans-128.1-23.2-175.3-65.2-175.94.300113.7F29 E49 L59 Y60 E61 G163F29-Q57 HydrophobicContact CD1-CG 4.37Å; E49-Q57 PolarHBondContact OE1-N 2.87Å; Q57-L59 VanDerWaalsContact C-N 3.25Å; Q57-L59 PolarHBondContact O-N 2.83Å; Q57-L59 VanDerWaalsContact O-N 3.13Å; Q57-Y60 CarbonylContact O-C 3.58Å; Q57-Y60 WeakPolarHBondContact O-CA 3.46Å; Q57-Y60 WeakPolarHBondContact O-CB 3.48Å; Q57-Y60 PolarHBondContact O-N 3.29Å; Q57-E61 PolarHBondContact O-N 3.33Å; Q57-G163 VanDerWaalsContact OE1-CA 3.26Å; Q57-G163 PolarHBondContact OE1-O 2.75Å
58L95.4Very high94.7Very high3 Ų356.8 Ų56.82%0.01628%0.278CS..Hα-helixtrans-62.5-28.7-169.7-163.868.6000113.7K47 E49 E61 S62 F80 K90 M92K47-L58 HydrophobicContact CB-CD1 4.1Å; K47-L58 HydrophobicContact CD-CD1 3.65Å; K47-L58 HydrophobicContact CG-CD1 3.79Å; E49-L58 HydrophobicContact CB-CB 3.82Å; E49-L58 HydrophobicContact CB-CD2 3.78Å; E49-L58 HydrophobicContact CB-CG 4.41Å; E49-L58 HydrophobicContact CG-CB 4.4Å; E49-L58 WeakPolarHBondContact OE1-CB 3.48Å; E49-L58 PolarHBondContact OE1-N 3Å; L58-E61 WeakPolarHBondContact CD1-OE2 3.42Å; L58-S62 WeakPolarHBondContact O-CB 3.33Å; L58-S62 PolarHBondContact O-N 3.13Å; L58-S62 PolarHBondContact O-OG 3.33Å; L58-S62 VanDerWaalsContact O-OG 3.13Å; L58-F80 HydrophobicContact CB-CE2 4.34Å; L58-F80 HydrophobicContact CD2-CE2 4.25Å; L58-F80 HydrophobicContact CG-CD2 4.45Å; L58-F80 HydrophobicContact CG-CE2 3.96Å; L58-F80 WeakPolarHBondContact O-CE2 3.5Å; L58-K90 HydrophobicContact CD2-CB 4.11Å; L58-K90 WeakPolarHBondContact CD2-O 3.32Å; L58-M92 HydrophobicContact CD1-CB 3.94Å; L58-M92 HydrophobicContact CD1-CE 3.82Å; L58-M92 HydrophobicContact CD1-SD 4.3Å; L58-M92 HydrophobicContact CD2-CB 4.13Å; L58-M92 HydrophobicContact CG-CB 4.1Å
59L96.1Very high94.5Very high72 Ų7260.1 Ų60.138%0.37729%0.293SS..Hα-helixtrans-72.1-31.3172175.961.1000112.9Q57 S62 R63 F80Q57-L59 VanDerWaalsContact C-N 3.25Å; Q57-L59 PolarHBondContact O-N 2.83Å; Q57-L59 VanDerWaalsContact O-N 3.13Å; L59-S62 PolarHBondContact O-OG 3.04Å; L59-R63 VanDerWaalsContact O-CD 3.31Å; L59-R63 WeakPolarHBondContact O-CD 3.17Å; L59-R63 VanDerWaalsContact O-CG 3.23Å; L59-R63 WeakPolarHBondContact O-CG 3.44Å; L59-F80 HydrophobicContact CB-CE1 4.48Å; L59-F80 HydrophobicContact CB-CZ 3.83Å; L59-F80 HydrophobicContact CD1-CD1 4.46Å; L59-F80 HydrophobicContact CD1-CE1 3.56Å; L59-F80 HydrophobicContact CD1-CZ 3.8Å; L59-F80 HydrophobicContact CG-CZ 4.42Å
60Y96.8Very high94.3Very high93 Ų9368 Ų6837%0.36534%0.335SS..Hα-helixtrans-75.6-47.4173.4176.4-101.1000110.1Q57 S62 R63 V64 A165Q57-Y60 CarbonylContact O-C 3.58Å; Q57-Y60 WeakPolarHBondContact O-CA 3.46Å; Q57-Y60 WeakPolarHBondContact O-CB 3.48Å; Q57-Y60 PolarHBondContact O-N 3.29Å; Y60-S62 PolarHBondContact O-N 3.33Å; Y60-R63 WeakPolarHBondContact O-CA 3.35Å; Y60-R63 WeakPolarHBondContact O-CB 3.28Å; Y60-R63 PolarHBondContact O-N 2.89Å; Y60-R63 VanDerWaalsContact O-N 3.09Å; Y60-V64 HydrophobicContact CD1-CG2 4.08Å; Y60-V64 HydrophobicContact CE1-CG2 3.55Å; Y60-V64 HydrophobicContact CE2-CG2 4.2Å; Y60-V64 PolarHBondContact O-N 3.43Å; Y60-A165 HydrophobicContact CE1-CB 4.38Å; Y60-A165 VanDerWaalsContact CE1-O 3.29Å; Y60-A165 WeakPolarHBondContact CE1-O 3.48Å; Y60-A165 PolarHBondContact OH-O 3.23Å
61E96.8Very high94.3Very high4 Ų466.6 Ų66.62%0.01933%0.326CS..Hα-helixtrans-57-46.3178.5-168.9-174179.900112.1K47 Q57 L58 R63 V64 Y65 M92 F162K47-E61 IonicContact NZ-OE1 2.78Å; K47-E61 PolarHBondContact NZ-OE1 3.05Å; K47-E61 IonicContact NZ-OE2 2.97Å; K47-E61 PolarHBondContact NZ-OE2 3.02Å; Q57-E61 PolarHBondContact O-N 3.33Å; L58-E61 WeakPolarHBondContact CD1-OE2 3.42Å; E61-R63 VanDerWaalsContact C-N 3.29Å; E61-R63 PolarHBondContact O-N 3.37Å; E61-V64 WeakPolarHBondContact O-CA 3.43Å; E61-V64 WeakPolarHBondContact O-CB 3.32Å; E61-V64 PolarHBondContact O-N 3.19Å; E61-Y65 HydrophobicContact CG-CD2 3.93Å; E61-Y65 HydrophobicContact CG-CE2 3.63Å; E61-Y65 WeakPolarHBondContact O-CD2 3.38Å; E61-Y65 PolarHBondContact O-N 3.28Å; E61-Y65 WeakPolarHBondContact OE1-CE2 3.49Å; E61-M92 HydrophobicContact CG-CE 4.31Å; E61-F162 HydrophobicContact CG-CB 4.1Å
62S96.9Very high94.3Very high13 Ų1366.3 Ų66.39%0.09133%0.328CS..Hα-helixtrans-63.7-32.4177.166.60000113.1L58 L59 Y60 R66 F80 M92L58-S62 WeakPolarHBondContact O-CB 3.33Å; L58-S62 PolarHBondContact O-N 3.13Å; L58-S62 PolarHBondContact O-OG 3.33Å; L58-S62 VanDerWaalsContact O-OG 3.13Å; L59-S62 PolarHBondContact O-OG 3.04Å; Y60-S62 PolarHBondContact O-N 3.33Å; S62-R66 PolarHBondContact O-N 3.36Å; S62-R66 VanDerWaalsContact O-N 3.13Å; S62-F80 WeakPolarHBondContact OG-CD2 3.37Å; S62-M92 VanDerWaalsContact CB-SD 3.55Å
63R97.2Very high94.5Very high133 Ų13360.4 Ų60.450%0.50229%0.292SS..Hα-helixtrans-69.7-36.9171.1-68.9169.5179.4-164.7-0.3111.7L59 Y60 E61 R66 V67L59-R63 VanDerWaalsContact O-CD 3.31Å; L59-R63 WeakPolarHBondContact O-CD 3.17Å; L59-R63 VanDerWaalsContact O-CG 3.23Å; L59-R63 WeakPolarHBondContact O-CG 3.44Å; Y60-R63 WeakPolarHBondContact O-CA 3.35Å; Y60-R63 WeakPolarHBondContact O-CB 3.28Å; Y60-R63 PolarHBondContact O-N 2.89Å; Y60-R63 VanDerWaalsContact O-N 3.09Å; E61-R63 VanDerWaalsContact C-N 3.29Å; E61-R63 PolarHBondContact O-N 3.37Å; R63-R66 PolarHBondContact O-N 3.28Å; R63-V67 PolarHBondContact O-N 2.94Å; R63-V67 VanDerWaalsContact O-N 3.17Å
64V97.8Very high94.8Very high5 Ų559.7 Ų59.73%0.0329%0.285CS..Hα-helixtrans-66.2-48174.4174.80000110.9Y60 E61 R66 V67 L68 L136 F162 A165Y60-V64 HydrophobicContact CD1-CG2 4.08Å; Y60-V64 HydrophobicContact CE1-CG2 3.55Å; Y60-V64 HydrophobicContact CE2-CG2 4.2Å; Y60-V64 PolarHBondContact O-N 3.43Å; E61-V64 WeakPolarHBondContact O-CA 3.43Å; E61-V64 WeakPolarHBondContact O-CB 3.32Å; E61-V64 PolarHBondContact O-N 3.19Å; V64-R66 PolarHBondContact O-N 3.45Å; V64-V67 WeakPolarHBondContact O-CA 3.45Å; V64-V67 WeakPolarHBondContact O-CB 3.12Å; V64-V67 PolarHBondContact O-N 3.37Å; V64-L68 HydrophobicContact CG1-CD1 3.86Å; V64-L68 HydrophobicContact CG1-CG 4.21Å; V64-L68 WeakPolarHBondContact O-CG 3.47Å; V64-L68 PolarHBondContact O-N 2.92Å; V64-L136 HydrophobicContact CG1-CD1 3.83Å; V64-L136 HydrophobicContact CG2-CD2 4.45Å; V64-F162 HydrophobicContact CB-CB 4.04Å; V64-F162 HydrophobicContact CG1-CB 3.62Å; V64-F162 HydrophobicContact CG1-CD1 3.95Å; V64-F162 HydrophobicContact CG1-CD2 4.47Å; V64-F162 HydrophobicContact CG1-CG 3.76Å; V64-A165 HydrophobicContact CG1-CB 4.39Å
65Y97.9Very high95.1Very high1 Ų150.7 Ų50.70%0.00425%0.251CS..Hα-helixtrans-53.9-40173.1-82.3-68.7000112.1E61 V67 L68 Q69 V74 P75 V77 M92 M94 D161 F162E61-Y65 HydrophobicContact CG-CD2 3.93Å; E61-Y65 HydrophobicContact CG-CE2 3.63Å; E61-Y65 WeakPolarHBondContact O-CD2 3.38Å; E61-Y65 PolarHBondContact O-N 3.28Å; E61-Y65 WeakPolarHBondContact OE1-CE2 3.49Å; Y65-V67 VanDerWaalsContact C-N 3.34Å; Y65-V67 PolarHBondContact O-N 2.65Å; Y65-L68 CarbonylContact O-C 3.55Å; Y65-L68 PolarHBondContact O-N 3.27Å; Y65-L68 VanDerWaalsContact O-N 3.11Å; Y65-Q69 PolarHBondContact O-N 2.95Å; Y65-V74 HydrophobicContact CD1-CG1 3.77Å; Y65-V74 HydrophobicContact CE1-CG1 3.99Å; Y65-P75 HydrophobicContact CE1-CB 4.35Å; Y65-V77 HydrophobicContact CD1-CG2 4.19Å; Y65-V77 HydrophobicContact CD2-CG2 3.75Å; Y65-V77 HydrophobicContact CG-CG2 3.57Å; Y65-M92 HydrophobicContact CD2-CE 3.88Å; Y65-M92 HydrophobicContact CD2-SD 3.99Å; Y65-M92 HydrophobicContact CE2-CE 3.61Å; Y65-M92 HydrophobicContact CE2-SD 4.34Å; Y65-M94 HydrophobicContact CE1-CE 4.24Å; Y65-M94 HydrophobicContact CE2-CE 4.37Å; Y65-D161 PolarHBondContact OH-N 3.03Å; Y65-F162 HydrophobicContact CD1-CD2 4.12Å; Y65-F162 HydrophobicContact CD1-CE2 4.21Å; Y65-F162 AromaticContact CE1-CD2 3.67Å; Y65-F162 HydrophobicContact CE1-CD2 3.67Å; Y65-F162 AromaticContact CE1-CE2 3.68Å; Y65-F162 HydrophobicContact CE1-CE2 3.68Å; Y65-F162 HydrophobicContact CE2-CD2 4.1Å; Y65-F162 AromaticContact CZ-CD2 3.65Å
66R96.2Very high95.5Very high174 Ų17454.9 Ų54.966%0.65726%0.264SS*.Hα-helixtrans-65.7-30.9175.6-166.1174.667.3-175.53.3113.8S62 R63 V64 L68S62-R66 PolarHBondContact O-N 3.36Å; S62-R66 VanDerWaalsContact O-N 3.13Å; R63-R66 PolarHBondContact O-N 3.28Å; V64-R66 PolarHBondContact O-N 3.45Å; R66-L68 VanDerWaalsContact C-N 3.35Å
67V95.8Very high95.7Very high62 Ų6252.1 Ų52.138%0.37625%0.246SC..Hα-helixtrans-73.6-29.5171.41720000111.6R63 V64 Y65 R134 L136R63-V67 PolarHBondContact O-N 2.94Å; R63-V67 VanDerWaalsContact O-N 3.17Å; V64-V67 WeakPolarHBondContact O-CA 3.45Å; V64-V67 WeakPolarHBondContact O-CB 3.12Å; V64-V67 PolarHBondContact O-N 3.37Å; Y65-V67 VanDerWaalsContact C-N 3.34Å; Y65-V67 PolarHBondContact O-N 2.65Å; V67-R134 HydrophobicContact CG1-CB 4.35Å; V67-R134 WeakPolarHBondContact O-CD 3.14Å; V67-L136 HydrophobicContact CB-CD1 4.44Å; V67-L136 HydrophobicContact CG1-CD1 3.93Å
68L96.9Very high95.8Very high0 Ų055.6 Ų55.60%026%0.259CS..Hα-helixtrans-91.8-3.1179.5-60.7-178.8000114.1V64 Y65 R66 S71 V74 V131 R134 L136 F162V64-L68 HydrophobicContact CG1-CD1 3.86Å; V64-L68 HydrophobicContact CG1-CG 4.21Å; V64-L68 WeakPolarHBondContact O-CG 3.47Å; V64-L68 PolarHBondContact O-N 2.92Å; Y65-L68 CarbonylContact O-C 3.55Å; Y65-L68 PolarHBondContact O-N 3.27Å; Y65-L68 VanDerWaalsContact O-N 3.11Å; R66-L68 VanDerWaalsContact C-N 3.35Å; L68-S71 WeakPolarHBondContact O-CB 3.41Å; L68-S71 PolarHBondContact O-N 3.3Å; L68-S71 VanDerWaalsContact O-N 3.09Å; L68-S71 PolarHBondContact O-OG 3.47Å; L68-V74 HydrophobicContact CB-CG1 3.89Å; L68-V74 HydrophobicContact CB-CG2 4.34Å; L68-V74 HydrophobicContact CD1-CG1 4.4Å; L68-V131 HydrophobicContact CD1-CG2 4.23Å; L68-V131 HydrophobicContact CD2-CG2 4.44Å; L68-R134 HydrophobicContact CD2-CB 3.73Å; L68-R134 HydrophobicContact CD2-CG 3.72Å; L68-L136 HydrophobicContact CD2-CD1 3.7Å; L68-L136 HydrophobicContact CG-CD1 4.04Å; L68-F162 HydrophobicContact CD1-CD1 3.87Å; L68-F162 HydrophobicContact CD1-CD2 4.08Å; L68-F162 HydrophobicContact CD1-CE1 3.39Å; L68-F162 HydrophobicContact CD1-CE2 3.65Å; L68-F162 HydrophobicContact CD1-CG 4.19Å; L68-F162 HydrophobicContact CD1-CZ 3.27Å
69Q90.8Very high95.9Very high72 Ų7258.8 Ų58.834%0.33627%0.271SS..THydrogen-bonded Turntrans-52.2144.9-178.6-94.3178.1-15.700112.4Y65 S71 R134Y65-Q69 PolarHBondContact O-N 2.95Å; Q69-S71 PolarHBondContact O-N 2.85Å; Q69-R134 PolarHBondContact O-NH2 3.12Å
70N90Very high95.9Very high168 Ų16858.4 Ų58.490%0.89827%0.266SS*.THydrogen-bonded Turntrans60.713.6-174.7-50.2-22.8000114.9
71S94Very high95.9Very high13 Ų1354.5 Ų54.59%0.09125%0.254CS..  trans-85.6136.9170.3-450000110.1L68 Q69 G73 V74 R134L68-S71 WeakPolarHBondContact O-CB 3.41Å; L68-S71 PolarHBondContact O-N 3.3Å; L68-S71 VanDerWaalsContact O-N 3.09Å; L68-S71 PolarHBondContact O-OG 3.47Å; Q69-S71 PolarHBondContact O-N 2.85Å; S71-G73 PolarHBondContact O-N 2.57Å; S71-V74 PolarHBondContact O-N 3.45Å; S71-V74 VanDerWaalsContact O-N 3.16Å; S71-R134 PolarHBondContact OG-NE 3.43Å; S71-R134 PolarHBondContact OG-NH2 2.87Å
72S92.5Very high95.7Very high67 Ų6757.7 Ų57.747%0.46928%0.275SS..THydrogen-bonded Turntrans-64.2124.4-172.2-170.60000112.4R127S72-R127 WeakPolarHBondContact O-CD 3.24Å; S72-R127 PolarHBondContact O-NE 3.17Å
73G96.6Very high95.4Very high4 Ų457.1 Ų57.14%0.04127%0.271CS..THydrogen-bonded Turntrans72.127-177.400000114.4S71 F158 I159S71-G73 PolarHBondContact O-N 2.57Å; G73-F158 CarbonylContact O-C 3.6Å; G73-F158 WeakPolarHBondContact O-CA 3.38Å; G73-I159 PolarHBondContact O-N 3.19Å
74V97.8Very high94.6Very high16 Ų1653.4 Ų53.410%0.09727%0.274CS..  trans-108.8127.3160.4179.80000107.8Y65 L68 S71 I159 F162Y65-V74 HydrophobicContact CD1-CG1 3.77Å; Y65-V74 HydrophobicContact CE1-CG1 3.99Å; L68-V74 HydrophobicContact CB-CG1 3.89Å; L68-V74 HydrophobicContact CB-CG2 4.34Å; L68-V74 HydrophobicContact CD1-CG1 4.4Å; S71-V74 PolarHBondContact O-N 3.45Å; S71-V74 VanDerWaalsContact O-N 3.16Å; V74-I159 HydrophobicContact CG2-CG2 4.09Å; V74-F162 HydrophobicContact CG1-CE2 4.24Å
75P96.6Very high93.5Very high1 Ų157.3 Ų57.31%0.00630%0.298CS..PPolyproline II helixtrans-55.4142.3175.6-32.840.3000114.1Y65 M94 D95 L97 F158 I159 V160Y65-P75 HydrophobicContact CE1-CB 4.35Å; P75-M94 HydrophobicContact CB-CE 3.62Å; P75-M94 HydrophobicContact CG-CE 3.97Å; P75-D95 WeakPolarHBondContact CA-OD2 3.48Å; P75-D95 HydrophobicContact CB-CB 4.22Å; P75-L97 HydrophobicContact CG-CD1 3.79Å; P75-L97 HydrophobicContact CG-CG 4.37Å; P75-F158 HydrophobicContact CG-CD1 4.14Å; P75-I159 WeakPolarHBondContact CD-O 3.23Å; P75-V160 HydrophobicContact CG-CG1 3.97Å
76R96.5Very high92.6Very high153 Ų15359.4 Ų59.458%0.57731%0.313SS*.PPolyproline II helixtrans-72.3125.7166.3-176.5179.5-175.9174.12109Y78 M94 D95R76-Y78 HydrophobicContact CG-CD1 4.49Å; R76-Y78 HydrophobicContact CG-CE1 4.42Å; R76-M94 CarbonylContact O-C 3.55Å; R76-M94 WeakPolarHBondContact O-CA 3.38Å; R76-M94 WeakPolarHBondContact O-CB 3.42Å; R76-D95 WeakPolarHBondContact CB-OD1 3.38Å; R76-D95 PolarHBondContact N-OD2 2.85Å; R76-D95 PolarHBondContact O-N 3.44Å
77V97Very high92Very high17 Ų1755.6 Ų55.610%0.10331%0.305CS..EExtended strand (participates in β ladder)trans-84.3124.4159.7173.90000108Y65 M92 M94Y65-V77 HydrophobicContact CD1-CG2 4.19Å; Y65-V77 HydrophobicContact CD2-CG2 3.75Å; Y65-V77 HydrophobicContact CG-CG2 3.57Å; V77-M92 HydrophobicContact CG1-CG 3.82Å; V77-M92 HydrophobicContact CG1-SD 4.3Å; V77-M92 HydrophobicContact CG2-CG 4.11Å; V77-M92 HydrophobicContact CG2-SD 3.81Å; V77-M94 HydrophobicContact CG2-CB 4.22Å
78Y96.5Very high91.7Very high97 Ų9757.7 Ų57.738%0.3831%0.307SS..EExtended strand (participates in β ladder)trans-86.4-37.7176-64.7-79000112.1V44 R76 V93 D95V44-Y78 HydrophobicContact CG1-CD2 4.31Å; V44-Y78 HydrophobicContact CG1-CE2 4.12Å; R76-Y78 HydrophobicContact CG-CD1 4.49Å; R76-Y78 HydrophobicContact CG-CE1 4.42Å; Y78-V93 HydrophobicContact CD2-CG1 4.44Å; Y78-V93 PolarHBondContact N-O 2.6Å; Y78-D95 WeakPolarHBondContact CE2-OD1 3.4Å; Y78-D95 PolarHBondContact OH-OD1 2.72Å
79W96.7Very high91.6Very high70 Ų7060 Ų6027%0.26532%0.316SS..EExtended strand (participates in β ladder)trans-157.8151-172-170.287.9000112.4I14 W18 G81 P82 A91 M92 V93I14-W79 HydrophobicContact CG2-CE3 3.96Å; I14-W79 HydrophobicContact CG2-CH2 4.44Å; I14-W79 HydrophobicContact CG2-CZ3 3.65Å; W18-W79 HydrophobicContact CE3-CB 4.34Å; W18-W79 HydrophobicContact CH2-CB 3.64Å; W18-W79 HydrophobicContact CH2-CG 4.11Å; W18-W79 HydrophobicContact CZ3-CB 3.49Å; W18-W79 VanDerWaalsContact CZ3-CB 3.49Å; W18-W79 AromaticContact CZ3-CD1 3.91Å; W18-W79 HydrophobicContact CZ3-CD2 4.24Å; W18-W79 AromaticContact CZ3-CG 3.6Å; W18-W79 HydrophobicContact CZ3-CG 3.6Å; W79-G81 VanDerWaalsContact CH2-C 3.48Å; W79-G81 VanDerWaalsContact CZ3-N 3.26Å; W79-P82 WeakPolarHBondContact CH2-O 3.27Å; W79-A91 HydrophobicContact CZ3-CB 4.19Å; W79-M92 WeakPolarHBondContact O-CA 3.4Å; W79-V93 HydrophobicContact CB-CB 4.24Å; W79-V93 HydrophobicContact CB-CG2 4.38Å; W79-V93 HydrophobicContact CE3-CG2 4.25Å; W79-V93 PolarHBondContact N-O 2.85Å; W79-V93 PolarHBondContact O-N 3.35Å
80F96.9Very high91.8Very high63 Ų6358.9 Ų58.928%0.27631%0.31SS..EExtended strand (participates in β ladder)trans-146.7135.6172172-86.5000110.1L58 L59 S62 K90 A91 M92L58-F80 HydrophobicContact CB-CE2 4.34Å; L58-F80 HydrophobicContact CD2-CE2 4.25Å; L58-F80 HydrophobicContact CG-CD2 4.45Å; L58-F80 HydrophobicContact CG-CE2 3.96Å; L58-F80 WeakPolarHBondContact O-CE2 3.5Å; L59-F80 HydrophobicContact CB-CE1 4.48Å; L59-F80 HydrophobicContact CB-CZ 3.83Å; L59-F80 HydrophobicContact CD1-CD1 4.46Å; L59-F80 HydrophobicContact CD1-CE1 3.56Å; L59-F80 HydrophobicContact CD1-CZ 3.8Å; L59-F80 HydrophobicContact CG-CZ 4.42Å; S62-F80 WeakPolarHBondContact OG-CD2 3.37Å; F80-K90 HydrophobicContact CE2-CB 4.34Å; F80-K90 HydrophobicContact CZ-CB 4.35Å; F80-K90 HydrophobicContact CZ-CD 4.24Å; F80-A91 WeakPolarHBondContact CA-O 3.18Å; F80-M92 HydrophobicContact CD2-CB 4.13Å; F80-M92 HydrophobicContact CD2-CG 4.44Å
81G95.9Very high92.1Very high12 Ų1250.9 Ų50.912%0.12427%0.267CS..EExtended strand (participates in β ladder)trans171.1-164.8-179.400000112.9W79 K90 A91W79-G81 VanDerWaalsContact CH2-C 3.48Å; W79-G81 VanDerWaalsContact CZ3-N 3.26Å; G81-K90 CarbonylContact O-C 3.54Å; G81-K90 WeakPolarHBondContact O-CA 3.3Å; G81-A91 PolarHBondContact N-O 3.04Å; G81-A91 VanDerWaalsContact N-O 3.09Å; G81-A91 PolarHBondContact O-N 3.24Å
82P93.6Very high92.2Very high71 Ų7150.2 Ų50.246%0.46126%0.262SS..EExtended strand (participates in β ladder)trans-81.8157.4177.934.9-36000112.8W79 G84 Y89W79-P82 WeakPolarHBondContact CH2-O 3.27Å; P82-G84 PolarHBondContact O-N 3.13Å; P82-G84 VanDerWaalsContact O-N 3.09Å; P82-Y89 CarbonylContact C-O 3.54Å; P82-Y89 WeakPolarHBondContact CA-O 3.48Å
83D89.4Confident92.4Very high0 Ų047 Ų470%024%0.24CC..  trans-63.4-16-177.964.9-75.3000115.3L8 I14 V85 S86 N87 R88 Y89L8-D83 HydrophobicContact CD2-CB 4.24Å; I14-D83 HydrophobicContact CD1-CB 3.87Å; D83-V85 PolarHBondContact O-N 2.84Å; D83-S86 WeakPolarHBondContact OD2-CA 3.14Å; D83-S86 PolarHBondContact OD2-N 3.3Å; D83-S86 PolarHBondContact OD2-OG 3.49Å; D83-N87 WeakPolarHBondContact OD1-CA 3.31Å; D83-N87 PolarHBondContact OD1-N 2.93Å; D83-N87 PolarHBondContact OD2-N 3.27Å; D83-R88 PolarHBondContact OD1-N 3.37Å; D83-Y89 PolarHBondContact N-O 3.48Å; D83-Y89 PolarHBondContact OD1-N 3.1Å
84G81.9Confident92.5Very high55 Ų5547.6 Ų47.657%0.56724%0.242SC*.SBendtrans75.7-40.517400000114.6P82 N87P82-G84 PolarHBondContact O-N 3.13Å; P82-G84 VanDerWaalsContact O-N 3.09Å; G84-N87 WeakPolarHBondContact CA-OD1 3.48Å; G84-N87 PolarHBondContact N-OD1 3.02Å; G84-N87 VanDerWaalsContact N-OD1 3.16Å
85V74.5Confident92.4Very high88 Ų8848.6 Ų48.653%0.53325%0.247SC..SBendtrans-69.5-38.7178.1-178.70000111.6A12 D83A12-V85 HydrophobicContact CB-CG2 4.18Å; D83-V85 PolarHBondContact O-N 2.84Å
86S77.6Confident92.5Very high44 Ų4449.9 Ų49.931%0.30825%0.253SS..SBendtrans-137.6-11-178.566.80000115D83 R88D83-S86 WeakPolarHBondContact OD2-CA 3.14Å; D83-S86 PolarHBondContact OD2-N 3.3Å; D83-S86 PolarHBondContact OD2-OG 3.49Å; S86-R88 PolarHBondContact O-N 2.86Å; S86-R88 VanDerWaalsContact O-N 3.09Å; S86-R88 PolarHBondContact OG-NE 3.22Å
87N84.7Confident92.5Very high94 Ų9443.5 Ų43.550%0.50323%0.23SC..SBendtrans51.626.2-173.2-63.4-24.5000113.8D83 G84D83-N87 WeakPolarHBondContact OD1-CA 3.31Å; D83-N87 PolarHBondContact OD1-N 2.93Å; D83-N87 PolarHBondContact OD2-N 3.27Å; G84-N87 WeakPolarHBondContact CA-OD1 3.48Å; G84-N87 PolarHBondContact N-OD1 3.02Å; G84-N87 VanDerWaalsContact N-OD1 3.16Å
88R90.4Very high92.5Very high106 Ų10643 Ų4340%0.423%0.229SC..  trans-89.4-9.6176-64.3-177.6-60.7163.36.5112.7P50 V51 D83 S86P50-R88 WeakPolarHBondContact CA-O 3.48Å; V51-R88 WeakPolarHBondContact CG2-O 3.3Å; V51-R88 PolarHBondContact N-O 3.03Å; D83-R88 PolarHBondContact OD1-N 3.37Å; S86-R88 PolarHBondContact O-N 2.86Å; S86-R88 VanDerWaalsContact O-N 3.09Å; S86-R88 PolarHBondContact OG-NE 3.22Å
89Y93.3Very high92.4Very high49 Ų4938.5 Ų38.519%0.19221%0.211CC..EExtended strand (participates in β ladder)trans-133.3147179-58.1-98.4000111.3L8 L48 E49 P50 P82 D83L8-Y89 HydrophobicContact CD1-CD2 3.84Å; L8-Y89 HydrophobicContact CD1-CE1 4.26Å; L8-Y89 HydrophobicContact CD1-CE2 3.58Å; L8-Y89 HydrophobicContact CD1-CG 4.31Å; L8-Y89 HydrophobicContact CD2-CD2 4.28Å; L8-Y89 HydrophobicContact CG-CD2 4.29Å; L8-Y89 HydrophobicContact CG-CE2 4.06Å; L48-Y89 HydrophobicContact CB-CD1 4.24Å; E49-Y89 CarbonylContact O-C 3.49Å; E49-Y89 WeakPolarHBondContact O-CA 3.42Å; P50-Y89 HydrophobicContact CB-CD1 4.37Å; P50-Y89 HydrophobicContact CB-CE1 4.33Å; P50-Y89 HydrophobicContact CG-CD1 4.19Å; P50-Y89 HydrophobicContact CG-CE1 3.96Å; P82-Y89 CarbonylContact C-O 3.54Å; P82-Y89 WeakPolarHBondContact CA-O 3.48Å; D83-Y89 PolarHBondContact N-O 3.48Å; D83-Y89 PolarHBondContact OD1-N 3.1Å
90K95Very high92.5Very high48 Ų4835.6 Ų35.621%0.20920%0.202CC..EExtended strand (participates in β ladder)trans-86.4138.1154.6-58172.3-153.6144.20107.3L48 E49 V51 L58 F80 G81L48-K90 WeakPolarHBondContact CA-O 3.36Å; E49-K90 PolarHBondContact N-O 3.25Å; E49-K90 PolarHBondContact O-N 3.41Å; E49-K90 WeakPolarHBondContact OE2-CD 3.4Å; E49-K90 WeakPolarHBondContact OE2-CE 3.34Å; E49-K90 IonicContact OE2-NZ 2.75Å; E49-K90 PolarHBondContact OE2-NZ 3.47Å; V51-K90 HydrophobicContact CG1-CG 4.39Å; L58-K90 HydrophobicContact CD2-CB 4.11Å; L58-K90 WeakPolarHBondContact CD2-O 3.32Å; F80-K90 HydrophobicContact CE2-CB 4.34Å; F80-K90 HydrophobicContact CZ-CB 4.35Å; F80-K90 HydrophobicContact CZ-CD 4.24Å; G81-K90 CarbonylContact O-C 3.54Å; G81-K90 WeakPolarHBondContact O-CA 3.3Å
91A95.9Very high92.6Very high0 Ų032.6 Ų32.60%019%0.189CC..EExtended strand (participates in β ladder)trans-123137.8179.200000110.3I14 I46 K47 L48 W79 F80 G81I14-A91 HydrophobicContact CD1-CB 4.17Å; I14-A91 HydrophobicContact CG2-CB 3.69Å; I46-A91 HydrophobicContact CG2-CB 4.41Å; K47-A91 WeakPolarHBondContact O-CA 3.35Å; L48-A91 HydrophobicContact CD2-CB 3.34Å; W79-A91 HydrophobicContact CZ3-CB 4.19Å; F80-A91 WeakPolarHBondContact CA-O 3.18Å; G81-A91 PolarHBondContact N-O 3.04Å; G81-A91 VanDerWaalsContact N-O 3.09Å; G81-A91 PolarHBondContact O-N 3.24Å
92M96.5Very high92.7Very high0 Ų033 Ų330%019%0.188CC..EExtended strand (participates in β ladder)trans-121.4122.8171.6-172.6169.169.500108.7I46 K47 L58 E61 S62 Y65 V77 W79 F80 M94I46-M92 WeakPolarHBondContact CA-O 3.41Å; K47-M92 HydrophobicContact CD-CE 4.27Å; K47-M92 PolarHBondContact N-O 3.42Å; K47-M92 PolarHBondContact O-N 3.31Å; L58-M92 HydrophobicContact CD1-CB 3.94Å; L58-M92 HydrophobicContact CD1-CE 3.82Å; L58-M92 HydrophobicContact CD1-SD 4.3Å; L58-M92 HydrophobicContact CD2-CB 4.13Å; L58-M92 HydrophobicContact CG-CB 4.1Å; E61-M92 HydrophobicContact CG-CE 4.31Å; S62-M92 VanDerWaalsContact CB-SD 3.55Å; Y65-M92 HydrophobicContact CD2-CE 3.88Å; Y65-M92 HydrophobicContact CD2-SD 3.99Å; Y65-M92 HydrophobicContact CE2-CE 3.61Å; Y65-M92 HydrophobicContact CE2-SD 4.34Å; V77-M92 HydrophobicContact CG1-CG 3.82Å; V77-M92 HydrophobicContact CG1-SD 4.3Å; V77-M92 HydrophobicContact CG2-CG 4.11Å; V77-M92 HydrophobicContact CG2-SD 3.81Å; W79-M92 WeakPolarHBondContact O-CA 3.4Å; F80-M92 HydrophobicContact CD2-CB 4.13Å; F80-M92 HydrophobicContact CD2-CG 4.44Å; M92-M94 HydrophobicContact CE-SD 3.91Å
93V97.4Very high92.8Very high0 Ų032.4 Ų32.40%018%0.181CC..EExtended strand (participates in β ladder)trans-103.1127.5178-1730000108.8I14 W18 V44 A45 I46 Y78 W79I14-V93 HydrophobicContact CG2-CG2 3.86Å; W18-V93 HydrophobicContact CB-CG2 4.49Å; W18-V93 HydrophobicContact CD2-CB 4.38Å; W18-V93 HydrophobicContact CD2-CG1 3.88Å; W18-V93 HydrophobicContact CD2-CG2 4.13Å; W18-V93 HydrophobicContact CE3-CB 4.49Å; W18-V93 HydrophobicContact CE3-CG1 4.48Å; W18-V93 HydrophobicContact CE3-CG2 3.98Å; W18-V93 HydrophobicContact CG-CG1 3.86Å; W18-V93 HydrophobicContact CG-CG2 4.35Å; V44-V93 HydrophobicContact CB-CG1 3.85Å; V44-V93 HydrophobicContact CG1-CG1 4.15Å; V44-V93 HydrophobicContact CG2-CG1 3.73Å; A45-V93 WeakPolarHBondContact O-CA 3.15Å; I46-V93 HydrophobicContact CG1-CG1 4.41Å; I46-V93 HydrophobicContact CG1-CG2 4.24Å; I46-V93 HydrophobicContact CG2-CG2 4.5Å; Y78-V93 HydrophobicContact CD2-CG1 4.44Å; Y78-V93 PolarHBondContact N-O 2.6Å; W79-V93 HydrophobicContact CB-CB 4.24Å; W79-V93 HydrophobicContact CB-CG2 4.38Å; W79-V93 HydrophobicContact CE3-CG2 4.25Å; W79-V93 PolarHBondContact N-O 2.85Å; W79-V93 PolarHBondContact O-N 3.35Å
94M97.6Very high93.2Very high16 Ų1632.4 Ų32.48%0.07918%0.181CC..EExtended strand (participates in β ladder)trans-146.7171.2-172.762.8-170.4-69.100111.8A45 Y65 P75 R76 V77 M92 L96A45-M94 HydrophobicContact CB-CG 3.92Å; A45-M94 PolarHBondContact N-O 3.02Å; A45-M94 PolarHBondContact O-N 2.86Å; Y65-M94 HydrophobicContact CE1-CE 4.24Å; Y65-M94 HydrophobicContact CE2-CE 4.37Å; P75-M94 HydrophobicContact CB-CE 3.62Å; P75-M94 HydrophobicContact CG-CE 3.97Å; R76-M94 CarbonylContact O-C 3.55Å; R76-M94 WeakPolarHBondContact O-CA 3.38Å; R76-M94 WeakPolarHBondContact O-CB 3.42Å; V77-M94 HydrophobicContact CG2-CB 4.22Å; M92-M94 HydrophobicContact CE-SD 3.91Å; M94-L96 PolarHBondContact O-N 2.68Å
95D96.7Very high94Very high37 Ų3729.8 Ų29.820%0.19815%0.154CC..EExtended strand (participates in β ladder)trans-48.9135.7174.4-59.4-27.1000111.5P75 R76 Y78P75-D95 WeakPolarHBondContact CA-OD2 3.48Å; P75-D95 HydrophobicContact CB-CB 4.22Å; R76-D95 WeakPolarHBondContact CB-OD1 3.38Å; R76-D95 PolarHBondContact N-OD2 2.85Å; R76-D95 PolarHBondContact O-N 3.44Å; Y78-D95 WeakPolarHBondContact CE2-OD1 3.4Å; Y78-D95 PolarHBondContact OH-OD1 2.72Å
96L97.7Very high95.1Very high27 Ų2729.2 Ų29.214%0.14115%0.15CC..  trans-72.8135.1163.6-175.464.3000109.2I24 L34 E43 A45 M94 I150I24-L96 HydrophobicContact CD1-CD1 3.79Å; L34-L96 HydrophobicContact CD1-CD1 4.39Å; L34-L96 HydrophobicContact CD1-CD2 3.77Å; E43-L96 HydrophobicContact CB-CD2 3.75Å; A45-L96 HydrophobicContact CB-CD1 4.32Å; M94-L96 PolarHBondContact O-N 2.68Å; L96-I150 HydrophobicContact CB-CD1 4.31Å; L96-I150 HydrophobicContact CD2-CD1 4.46Å; L96-I150 HydrophobicContact CG-CD1 4.43Å
97L97Very high96Very high19 Ų1929.9 Ų29.910%0.09915%0.148CC..  trans-118.9167.1175.5-65.7-174.4000110.8P75 L147 F158 V160P75-L97 HydrophobicContact CG-CD1 3.79Å; P75-L97 HydrophobicContact CG-CG 4.37Å; L97-L147 HydrophobicContact CB-CB 4.1Å; L97-L147 HydrophobicContact CB-CD2 3.78Å; L97-L147 HydrophobicContact CD1-CB 3.75Å; L97-L147 HydrophobicContact CD1-CD2 4.03Å; L97-F158 HydrophobicContact CD1-CB 3.67Å; L97-F158 HydrophobicContact CD1-CD1 4.45Å; L97-F158 HydrophobicContact CD1-CG 4.06Å; L97-F158 HydrophobicContact CD2-CB 4.34Å; L97-F158 HydrophobicContact CD2-CD1 3.93Å; L97-F158 HydrophobicContact CD2-CD2 3.9Å; L97-F158 HydrophobicContact CD2-CE1 4.14Å; L97-F158 HydrophobicContact CD2-CE2 4.13Å; L97-F158 HydrophobicContact CD2-CG 3.81Å; L97-F158 HydrophobicContact CD2-CZ 4.23Å; L97-V160 HydrophobicContact CD1-CG1 3.82Å
98G96.6Very high96.6Very high7 Ų726.2 Ų26.27%0.07213%0.129CC..  trans-80-156.6177.300000112.9M148G98-M148 WeakPolarHBondContact CA-O 3.49Å; G98-M148 PolarHBondContact N-O 3.45Å
99P96.2Very high96.9Very high2 Ų224.2 Ų24.21%0.01314%0.142CC..  trans-65.9155.1176.929-36000112.6D103 L104 L147 M148 M419 M423P99-D103 HydrophobicContact CB-CB 3.79Å; P99-L104 HydrophobicContact CB-CD2 4.28Å; P99-L104 HydrophobicContact CB-CG 4.04Å; P99-L104 HydrophobicContact CG-CD1 4.05Å; P99-L104 HydrophobicContact CG-CD2 3.67Å; P99-L104 HydrophobicContact CG-CG 3.79Å; P99-L147 WeakPolarHBondContact O-CA 3.36Å; P99-M148 PolarHBondContact O-N 3.15Å; P99-M419 HydrophobicContact CG-CE 4.18Å; P99-M419 HydrophobicContact CG-SD 3.6Å; P99-M419 VanDerWaalsContact CG-SD 3.6Å; P99-M423 HydrophobicContact CB-SD 3.62Å; P99-M423 HydrophobicContact CG-SD 3.67Å
100S97.5Very high97.1Very high10 Ų1025 Ų257%0.0715%0.145CC..BIsolated β-bridgetrans-75.1167.1169.971.50000111.6E102 D103 L104 F146S100-E102 VanDerWaalsContact C-N 3.25Å; S100-E102 PolarHBondContact O-N 2.75Å; S100-E102 PolarHBondContact OG-N 2.88Å; S100-D103 VanDerWaalsContact CB-OD2 3.29Å; S100-D103 WeakPolarHBondContact CB-OD2 3.47Å; S100-D103 PolarHBondContact N-OD2 3.24Å; S100-D103 WeakPolarHBondContact O-CB 3.42Å; S100-D103 PolarHBondContact O-N 3.24Å; S100-D103 VanDerWaalsContact OG-CG 3.25Å; S100-D103 PolarHBondContact OG-N 2.71Å; S100-D103 VanDerWaalsContact OG-N 3.16Å; S100-D103 PolarHBondContact OG-OD2 3.42Å; S100-L104 WeakPolarHBondContact O-CG 3.28Å; S100-L104 PolarHBondContact O-N 2.86Å; S100-L104 VanDerWaalsContact O-N 3.08Å; S100-F146 CarbonylContact C-O 3.44Å; S100-F146 VanDerWaalsContact CA-O 3.3Å; S100-F146 WeakPolarHBondContact CA-O 3.45Å
101L98.6Very high97.2Very high0 Ų029.4 Ų29.40%016%0.16CC..Hα-helixtrans-68.3-22.9172.9-61-176.5000112.5L104 F105 L120 M124 P143 F146 M148 F218 W302L101-L104 HydrophobicContact CD2-CD1 4.19Å; L101-F105 WeakPolarHBondContact O-CB 3.42Å; L101-F105 PolarHBondContact O-N 3.27Å; L101-L120 HydrophobicContact CD1-CD1 4.24Å; L101-L120 HydrophobicContact CD1-CD2 4.06Å; L101-L120 HydrophobicContact CD2-CD1 4.16Å; L101-L120 HydrophobicContact CD2-CD2 3.73Å; L101-M124 HydrophobicContact CD1-CE 3.83Å; L101-M124 HydrophobicContact CD1-SD 3.87Å; L101-P143 HydrophobicContact CB-CB 4.15Å; L101-P143 PolarHBondContact N-O 2.84Å; L101-F146 HydrophobicContact CD1-CB 3.65Å; L101-F146 HydrophobicContact CD1-CG 4.43Å; L101-F146 HydrophobicContact CG-CB 3.9Å; L101-F146 PolarHBondContact N-O 2.95Å; L101-M148 HydrophobicContact CD2-CG 4.45Å; L101-M148 HydrophobicContact CD2-SD 4.13Å; L101-F218 HydrophobicContact CB-CE1 4.19Å; L101-F218 HydrophobicContact CB-CZ 3.67Å; L101-F218 HydrophobicContact CD1-CE2 4.07Å; L101-F218 HydrophobicContact CD1-CZ 3.87Å; L101-F218 HydrophobicContact CG-CZ 4.42Å; L101-W302 HydrophobicContact CD2-CH2 4.34Å
102E98.2Very high97.3Very high20 Ų2029.7 Ų29.79%0.09316%0.161CC..Hα-helixtrans-74.1-37.2172-170.664.2-157.200112S100 F105 T106 R110 P143 Y217S100-E102 VanDerWaalsContact C-N 3.25Å; S100-E102 PolarHBondContact O-N 2.75Å; S100-E102 PolarHBondContact OG-N 2.88Å; E102-F105 PolarHBondContact O-N 3.06Å; E102-T106 WeakPolarHBondContact O-CB 3.48Å; E102-T106 PolarHBondContact O-N 3.12Å; E102-T106 PolarHBondContact O-OG1 3.36Å; E102-R110 IonicContact OE1-CZ 3.65Å; E102-R110 IonicContact OE1-NH1 3.19Å; E102-R110 PolarHBondContact OE1-NH1 2.95Å; E102-R110 IonicContact OE1-NH2 2.66Å; E102-P143 HydrophobicContact CB-CB 4.04Å; E102-Y217 PolarHBondContact OE1-OH 3.38Å; E102-Y217 WeakPolarHBondContact OE2-CE1 3.21Å; E102-Y217 PolarHBondContact OE2-OH 3.11Å
103D96.7Very high97.4Very high59 Ų5931.8 Ų31.832%0.31618%0.176SC..Hα-helixtrans-59.7-53.5173.1-65.6-70000110P99 S100 F105 T106 F107 R425P99-D103 HydrophobicContact CB-CB 3.79Å; S100-D103 VanDerWaalsContact CB-OD2 3.29Å; S100-D103 WeakPolarHBondContact CB-OD2 3.47Å; S100-D103 PolarHBondContact N-OD2 3.24Å; S100-D103 WeakPolarHBondContact O-CB 3.42Å; S100-D103 PolarHBondContact O-N 3.24Å; S100-D103 VanDerWaalsContact OG-CG 3.25Å; S100-D103 PolarHBondContact OG-N 2.71Å; S100-D103 VanDerWaalsContact OG-N 3.16Å; S100-D103 PolarHBondContact OG-OD2 3.42Å; D103-F105 VanDerWaalsContact C-N 3.34Å; D103-F105 PolarHBondContact O-N 2.92Å; D103-T106 PolarHBondContact O-N 2.9Å; D103-F107 PolarHBondContact O-N 2.82Å; D103-R425 IonicContact OD1-NH2 2.68Å; D103-R425 PolarHBondContact OD1-NH2 2.84Å; D103-R425 IonicContact OD2-CZ 3.48Å; D103-R425 IonicContact OD2-NH2 2.68Å; D103-R425 PolarHBondContact OD2-NH2 3.1Å
104L98.1Very high97.5Very high0 Ų033.2 Ų33.20%019%0.187CC..Hα-helixtrans-63.3-38.8179.4-69168.3000112.1P99 S100 L101 F107 C108 F112 M148 W302 M419 M423P99-L104 HydrophobicContact CB-CD2 4.28Å; P99-L104 HydrophobicContact CB-CG 4.04Å; P99-L104 HydrophobicContact CG-CD1 4.05Å; P99-L104 HydrophobicContact CG-CD2 3.67Å; P99-L104 HydrophobicContact CG-CG 3.79Å; S100-L104 WeakPolarHBondContact O-CG 3.28Å; S100-L104 PolarHBondContact O-N 2.86Å; S100-L104 VanDerWaalsContact O-N 3.08Å; L101-L104 HydrophobicContact CD2-CD1 4.19Å; L104-F107 PolarHBondContact O-N 3.1Å; L104-C108 WeakPolarHBondContact O-CB 3.29Å; L104-C108 PolarHBondContact O-N 3.46Å; L104-C108 PolarHBondContact O-SG 2.89Å; L104-C108 VanDerWaalsContact O-SG 3.42Å; L104-F112 HydrophobicContact CB-CZ 4.16Å; L104-M148 HydrophobicContact CD1-CG 3.52Å; L104-W302 HydrophobicContact CB-CD2 4.24Å; L104-W302 HydrophobicContact CB-CE3 3.94Å; L104-W302 HydrophobicContact CB-CZ3 4.25Å; L104-W302 HydrophobicContact CD1-CD2 4.1Å; L104-W302 HydrophobicContact CD1-CE3 4.3Å; L104-W302 HydrophobicContact CD1-CH2 4.05Å; L104-W302 HydrophobicContact CD1-CZ2 3.81Å; L104-W302 HydrophobicContact CD1-CZ3 4.29Å; L104-W302 HydrophobicContact CD2-CB 4.01Å; L104-W302 HydrophobicContact CD2-CD2 3.81Å; L104-W302 HydrophobicContact CD2-CE3 4.37Å; L104-W302 HydrophobicContact CD2-CG 3.65Å; L104-W302 HydrophobicContact CG-CD2 4.27Å; L104-W302 HydrophobicContact CG-CE3 4.44Å; L104-M419 HydrophobicContact CD2-SD 4.33Å; L104-M423 HydrophobicContact CD2-CE 4.02Å; L104-M423 HydrophobicContact CD2-SD 3.7Å; L104-M423 HydrophobicContact CG-SD 4.45Å
105F98.3Very high97.5Very high0 Ų034.1 Ų34.10%019%0.191CC..Hα-helixtrans-64.3-41.9176-176.7-125.3000112L101 E102 D103 C108 R110 F112 Y217 F218L101-F105 WeakPolarHBondContact O-CB 3.42Å; L101-F105 PolarHBondContact O-N 3.27Å; E102-F105 PolarHBondContact O-N 3.06Å; D103-F105 VanDerWaalsContact C-N 3.34Å; D103-F105 PolarHBondContact O-N 2.92Å; F105-C108 CarbonylContact O-C 3.57Å; F105-C108 PolarHBondContact O-N 3.31Å; F105-R110 HydrophobicContact CD1-CB 4.44Å; F105-R110 HydrophobicContact CE1-CB 4.17Å; F105-R110 WeakPolarHBondContact CE2-O 3.32Å; F105-R110 HydrophobicContact CZ-CB 4.39Å; F105-R110 VanDerWaalsContact CZ-O 3.26Å; F105-R110 WeakPolarHBondContact CZ-O 3.36Å; F105-R110 WeakPolarHBondContact O-CA 3.12Å; F105-R110 PolarHBondContact O-N 3.29Å; F105-F112 VanDerWaalsContact CA-CZ 3.44Å; F105-F112 HydrophobicContact CB-CE1 4.21Å; F105-F112 HydrophobicContact CB-CE2 4.08Å; F105-F112 HydrophobicContact CB-CZ 3.71Å; F105-F112 HydrophobicContact CD2-CD1 4.12Å; F105-F112 HydrophobicContact CD2-CD2 4.01Å; F105-F112 HydrophobicContact CD2-CE1 4.15Å; F105-F112 HydrophobicContact CD2-CE2 4.02Å; F105-F112 HydrophobicContact CD2-CG 4.04Å; F105-F112 HydrophobicContact CD2-CZ 4.09Å; F105-F112 HydrophobicContact CG-CZ 4.43Å; F105-Y217 HydrophobicContact CD1-CD1 4.48Å; F105-Y217 AromaticContact CD1-CE1 3.65Å; F105-Y217 HydrophobicContact CD1-CE1 3.65Å; F105-Y217 AromaticContact CD1-CZ 4Å; F105-Y217 AromaticContact CE1-CD1 3.95Å; F105-Y217 HydrophobicContact CE1-CD1 3.95Å; F105-Y217 AromaticContact CE1-CE1 3.35Å; F105-Y217 HydrophobicContact CE1-CE1 3.35Å; F105-Y217 HydrophobicContact CE1-CE2 4.17Å; F105-Y217 AromaticContact CE1-CZ 3.52Å; F105-Y217 HydrophobicContact CZ-CD1 4.27Å; F105-Y217 HydrophobicContact CZ-CE1 4.12Å; F105-F218 HydrophobicContact CB-CD1 4.43Å; F105-F218 HydrophobicContact CB-CE1 4.33Å; F105-F218 HydrophobicContact CD1-CD1 4.46Å; F105-F218 AromaticContact CD2-CD1 3.8Å; F105-F218 HydrophobicContact CD2-CD1 3.8Å; F105-F218 HydrophobicContact CD2-CE1 4.5Å; F105-F218 HydrophobicContact CE2-CB 4.33Å; F105-F218 AromaticContact CE2-CD1 3.98Å; F105-F218 HydrophobicContact CE2-CD1 3.98Å; F105-F218 WeakPolarHBondContact CE2-O 3.42Å; F105-F218 HydrophobicContact CG-CD1 4.03Å; F105-F218 HydrophobicContact CG-CE1 4.34Å; F105-F218 HydrophobicContact CZ-CD1 4.35Å
106T97.5Very high97.6Very high75 Ų7532.4 Ų32.446%0.4618%0.182SC..Hα-helixtrans-65.3-41.6177.8-61.80000111.7E102 D103 G109 R110E102-T106 WeakPolarHBondContact O-CB 3.48Å; E102-T106 PolarHBondContact O-N 3.12Å; E102-T106 PolarHBondContact O-OG1 3.36Å; D103-T106 PolarHBondContact O-N 2.9Å; T106-G109 PolarHBondContact O-N 2.81Å; T106-R110 PolarHBondContact OG1-NH1 3.41Å
107F96.5Very high97.6Very high58 Ų5831.1 Ų31.125%0.25418%0.175SC..Hα-helixtrans-64-37.8173.5175.6-98000113.5D103 L104 G109 W302 L305 P420 M423D103-F107 PolarHBondContact O-N 2.82Å; L104-F107 PolarHBondContact O-N 3.1Å; F107-G109 PolarHBondContact O-N 2.8Å; F107-W302 HydrophobicContact CD1-CB 4.04Å; F107-W302 HydrophobicContact CE1-CB 4.13Å; F107-L305 HydrophobicContact CD1-CD1 4Å; F107-L305 HydrophobicContact CE1-CB 3.71Å; F107-L305 HydrophobicContact CE1-CD1 3.8Å; F107-L305 HydrophobicContact CE1-CG 4.41Å; F107-L305 HydrophobicContact CZ-CB 4.04Å; F107-P420 HydrophobicContact CD1-CG 4.12Å; F107-P420 HydrophobicContact CE1-CB 4.16Å; F107-P420 HydrophobicContact CE1-CG 3.33Å; F107-P420 HydrophobicContact CE2-CB 4.25Å; F107-P420 HydrophobicContact CE2-CG 4.23Å; F107-P420 HydrophobicContact CZ-CB 3.69Å; F107-P420 HydrophobicContact CZ-CG 3.41Å; F107-P420 VanDerWaalsContact CZ-CG 3.41Å; F107-M423 HydrophobicContact CB-CE 3.16Å; F107-M423 HydrophobicContact CD1-CE 4.02Å; F107-M423 HydrophobicContact CD2-CE 3.91Å; F107-M423 HydrophobicContact CG-CE 3.46Å; F107-M423 VanDerWaalsContact CG-CE 3.46Å
108C97.1Very high97.7Very high17 Ų1730.5 Ų30.512%0.11517%0.172CC..THydrogen-bonded Turntrans-75.829.6172.5-67.70000114L104 F105 R110 R111 F112 W302 L305L104-C108 WeakPolarHBondContact O-CB 3.29Å; L104-C108 PolarHBondContact O-N 3.46Å; L104-C108 PolarHBondContact O-SG 2.89Å; L104-C108 VanDerWaalsContact O-SG 3.42Å; F105-C108 CarbonylContact O-C 3.57Å; F105-C108 PolarHBondContact O-N 3.31Å; C108-R110 PolarHBondContact O-N 3.15Å; C108-R110 VanDerWaalsContact O-N 3.16Å; C108-R111 PolarHBondContact O-N 3.41Å; C108-F112 HydrophobicContact CB-CD1 3.89Å; C108-F112 HydrophobicContact CB-CE1 3.77Å; C108-W302 PolarHBondContact SG-N 3.27Å; C108-L305 HydrophobicContact CB-CD1 4.34Å
109G96.5Very high97.8Very high65 Ų6530.5 Ų30.567%0.6717%0.171SC*.THydrogen-bonded Turntrans62.424.2178.400000114.1T106 F107 R111T106-G109 PolarHBondContact O-N 2.81Å; F107-G109 PolarHBondContact O-N 2.8Å; G109-R111 VanDerWaalsContact C-N 3.34Å; G109-R111 PolarHBondContact O-N 2.97Å
110R97.7Very high97.9Very high65 Ų6530.4 Ų30.425%0.24517%0.17CC..THydrogen-bonded Turntrans58.737.3-177.6-57.4-174.658.770.714114.3E102 F105 T106 C108 Y217 G221E102-R110 IonicContact OE1-CZ 3.65Å; E102-R110 IonicContact OE1-NH1 3.19Å; E102-R110 PolarHBondContact OE1-NH1 2.95Å; E102-R110 IonicContact OE1-NH2 2.66Å; F105-R110 HydrophobicContact CD1-CB 4.44Å; F105-R110 HydrophobicContact CE1-CB 4.17Å; F105-R110 WeakPolarHBondContact CE2-O 3.32Å; F105-R110 HydrophobicContact CZ-CB 4.39Å; F105-R110 VanDerWaalsContact CZ-O 3.26Å; F105-R110 WeakPolarHBondContact CZ-O 3.36Å; F105-R110 WeakPolarHBondContact O-CA 3.12Å; F105-R110 PolarHBondContact O-N 3.29Å; T106-R110 PolarHBondContact OG1-NH1 3.41Å; C108-R110 PolarHBondContact O-N 3.15Å; C108-R110 VanDerWaalsContact O-N 3.16Å; R110-Y217 PolarHBondContact NH2-OH 3.43Å; R110-G221 WeakPolarHBondContact O-CA 3.15Å
111R97.5Very high98Very high140 Ų14030 Ų3053%0.52817%0.167SC..  trans-150.4130.4167.4-170.3177.5179.5109.35.2110.4C108 G109 Y256C108-R111 PolarHBondContact O-N 3.41Å; G109-R111 VanDerWaalsContact C-N 3.34Å; G109-R111 PolarHBondContact O-N 2.97Å; R111-Y256 PolarHBondContact NH2-OH 2.89Å
112F98.5Very high98Very high6 Ų632 Ų323%0.02618%0.176CC..  trans-100.8151.9170.9-70.8-30.1000112L104 F105 C108 T116 V117 L120 F218 D301 W302L104-F112 HydrophobicContact CB-CZ 4.16Å; F105-F112 VanDerWaalsContact CA-CZ 3.44Å; F105-F112 HydrophobicContact CB-CE1 4.21Å; F105-F112 HydrophobicContact CB-CE2 4.08Å; F105-F112 HydrophobicContact CB-CZ 3.71Å; F105-F112 HydrophobicContact CD2-CD1 4.12Å; F105-F112 HydrophobicContact CD2-CD2 4.01Å; F105-F112 HydrophobicContact CD2-CE1 4.15Å; F105-F112 HydrophobicContact CD2-CE2 4.02Å; F105-F112 HydrophobicContact CD2-CG 4.04Å; F105-F112 HydrophobicContact CD2-CZ 4.09Å; F105-F112 HydrophobicContact CG-CZ 4.43Å; C108-F112 HydrophobicContact CB-CD1 3.89Å; C108-F112 HydrophobicContact CB-CE1 3.77Å; F112-T116 HydrophobicContact CB-CG2 3.86Å; F112-T116 HydrophobicContact CD1-CG2 3.96Å; F112-T116 HydrophobicContact CD2-CG2 3.92Å; F112-T116 HydrophobicContact CE1-CG2 4.47Å; F112-T116 HydrophobicContact CE2-CG2 4.45Å; F112-T116 HydrophobicContact CG-CG2 3.67Å; F112-V117 HydrophobicContact CB-CG2 3.63Å; F112-V117 HydrophobicContact CD2-CG2 4.42Å; F112-L120 HydrophobicContact CD2-CD1 4.1Å; F112-L120 HydrophobicContact CE2-CD1 3.94Å; F112-F218 HydrophobicContact CB-CB 4.36Å; F112-F218 HydrophobicContact CD2-CB 3.79Å; F112-F218 AromaticContact CD2-CD1 3.7Å; F112-F218 HydrophobicContact CD2-CD1 3.7Å; F112-F218 HydrophobicContact CD2-CD2 4.21Å; F112-F218 HydrophobicContact CD2-CE1 4.3Å; F112-F218 AromaticContact CD2-CG 3.66Å; F112-F218 HydrophobicContact CD2-CG 3.66Å; F112-F218 AromaticContact CE2-CD1 3.68Å; F112-F218 HydrophobicContact CE2-CD1 3.68Å; F112-F218 HydrophobicContact CE2-CD2 4.46Å; F112-F218 AromaticContact CE2-CE1 3.83Å; F112-F218 HydrophobicContact CE2-CE1 3.83Å; F112-F218 HydrophobicContact CE2-CG 4.04Å; F112-F218 HydrophobicContact CE2-CZ 4.29Å; F112-F218 HydrophobicContact CG-CB 4.48Å; F112-F218 PolarHBondContact N-O 3.09Å; F112-D301 WeakPolarHBondContact CA-OD2 3.41Å; F112-D301 WeakPolarHBondContact CB-OD2 3.47Å; F112-W302 HydrophobicContact CD1-CZ3 4.47Å; F112-W302 AromaticContact CE1-CE3 3.76Å; F112-W302 HydrophobicContact CE1-CE3 3.76Å; F112-W302 AromaticContact CE1-CZ3 3.74Å; F112-W302 HydrophobicContact CE1-CZ3 3.74Å; F112-W302 HydrophobicContact CE2-CZ3 4.19Å; F112-W302 AromaticContact CZ-CE3 3.99Å; F112-W302 HydrophobicContact CZ-CE3 3.99Å; F112-W302 AromaticContact CZ-CZ3 3.59Å; F112-W302 HydrophobicContact CZ-CZ3 3.59Å
113S98Very high98Very high45 Ų4532.1 Ų32.132%0.31518%0.177SC..  trans-71.1158171.675.10000111.7K115 T116 V117 D301S113-K115 PolarHBondContact O-N 2.92Å; S113-T116 PolarHBondContact O-N 3.28Å; S113-T116 PolarHBondContact OG-N 3.21Å; S113-T116 PolarHBondContact OG-OG1 3.43Å; S113-V117 WeakPolarHBondContact O-CG2 3.44Å; S113-V117 PolarHBondContact O-N 2.58Å; S113-D301 VanDerWaalsContact CB-OD1 3.27Å; S113-D301 WeakPolarHBondContact CB-OD1 3.38Å; S113-D301 PolarHBondContact N-OD2 2.83Å; S113-D301 PolarHBondContact OG-OD1 2.92Å
114A98.2Very high98.1Very high29 Ų2929.3 Ų29.324%0.2416%0.162CC..Hα-helixtrans-58.6-36.8174.700000112V117 L118 L292 F294A114-V117 PolarHBondContact O-N 3.03Å; A114-L118 VanDerWaalsContact O-CB 3.3Å; A114-L118 WeakPolarHBondContact O-CB 3.2Å; A114-L118 WeakPolarHBondContact O-CD1 3.28Å; A114-L118 WeakPolarHBondContact O-CG 3.47Å; A114-L118 PolarHBondContact O-N 3.47Å; A114-L292 HydrophobicContact CB-CD1 4.47Å; A114-F294 HydrophobicContact CB-CE2 4.01Å; A114-F294 HydrophobicContact CB-CZ 4.17Å
115K98.3Very high98.1Very high36 Ų3629.3 Ų29.316%0.15716%0.162CC..Hα-helixtrans-59.8-50.1175.4-174.7-167.9176.5-157.30111.2S113 T119 F289 F294 V295 D297 V299S113-K115 PolarHBondContact O-N 2.92Å; K115-T119 WeakPolarHBondContact O-CB 3.49Å; K115-T119 PolarHBondContact O-N 2.93Å; K115-T119 PolarHBondContact O-OG1 2.96Å; K115-F289 HydrophobicContact CG-CE2 4Å; K115-F289 HydrophobicContact CG-CZ 4.44Å; K115-F294 HydrophobicContact CB-CD1 4.27Å; K115-F294 HydrophobicContact CB-CD2 3.84Å; K115-F294 HydrophobicContact CB-CE1 4.29Å; K115-F294 HydrophobicContact CB-CE2 3.86Å; K115-F294 HydrophobicContact CB-CG 4.06Å; K115-F294 HydrophobicContact CB-CZ 4.09Å; K115-F294 HydrophobicContact CG-CB 4.23Å; K115-F294 HydrophobicContact CG-CD1 4.46Å; K115-F294 HydrophobicContact CG-CD2 4.16Å; K115-F294 HydrophobicContact CG-CG 4.05Å; K115-V295 VanDerWaalsContact CE-O 3.31Å; K115-V295 WeakPolarHBondContact CE-O 3.46Å; K115-D297 VanDerWaalsContact CE-OD1 3.24Å; K115-D297 WeakPolarHBondContact CE-OD1 3.38Å; K115-D297 IonicContact NZ-OD1 2.68Å; K115-D297 PolarHBondContact NZ-OD1 3.07Å; K115-D297 IonicContact NZ-OD2 3.25Å; K115-D297 PolarHBondContact NZ-OD2 2.78Å; K115-V299 PolarHBondContact NZ-O 2.92Å
116T98.5Very high98.1Very high1 Ų134.3 Ų34.31%0.00618%0.181CC..Hα-helixtrans-62.1-48.4178.2-740000111.7F112 S113 L118 T119 L120 Y300 D301 W302F112-T116 HydrophobicContact CB-CG2 3.86Å; F112-T116 HydrophobicContact CD1-CG2 3.96Å; F112-T116 HydrophobicContact CD2-CG2 3.92Å; F112-T116 HydrophobicContact CE1-CG2 4.47Å; F112-T116 HydrophobicContact CE2-CG2 4.45Å; F112-T116 HydrophobicContact CG-CG2 3.67Å; S113-T116 PolarHBondContact O-N 3.28Å; S113-T116 PolarHBondContact OG-N 3.21Å; S113-T116 PolarHBondContact OG-OG1 3.43Å; T116-L118 PolarHBondContact O-N 2.69Å; T116-T119 PolarHBondContact O-N 2.9Å; T116-L120 HydrophobicContact CG2-CD1 3.94Å; T116-L120 WeakPolarHBondContact O-CB 3.27Å; T116-L120 WeakPolarHBondContact O-CG 3.36Å; T116-L120 PolarHBondContact O-N 2.66Å; T116-Y300 HydrophobicContact CG2-CD1 4.16Å; T116-Y300 WeakPolarHBondContact OG1-CA 3.45Å; T116-D301 WeakPolarHBondContact CB-OD1 3.21Å; T116-D301 VanDerWaalsContact CB-OD2 3.29Å; T116-D301 WeakPolarHBondContact CB-OD2 3.29Å; T116-D301 PolarHBondContact OG1-N 3.41Å; T116-D301 PolarHBondContact OG1-OD1 2.86Å; T116-D301 PolarHBondContact OG1-OD2 2.89Å; T116-W302 HydrophobicContact CG2-CH2 4.33Å; T116-W302 HydrophobicContact CG2-CZ3 3.75Å
117V98.8Very high98.2Very high0 Ų031.3 Ų31.30%016%0.161CC..Hα-helixtrans-63.7-41.4-179.8177.60000112.3F112 S113 A114 L120 A121 F215 F218 L219 F260F112-V117 HydrophobicContact CB-CG2 3.63Å; F112-V117 HydrophobicContact CD2-CG2 4.42Å; S113-V117 WeakPolarHBondContact O-CG2 3.44Å; S113-V117 PolarHBondContact O-N 2.58Å; A114-V117 PolarHBondContact O-N 3.03Å; V117-L120 PolarHBondContact O-N 3.3Å; V117-A121 VanDerWaalsContact O-CB 3.29Å; V117-A121 WeakPolarHBondContact O-CB 3.43Å; V117-A121 PolarHBondContact O-N 2.8Å; V117-F215 HydrophobicContact CG1-CB 4.14Å; V117-F215 HydrophobicContact CG1-CD1 4.46Å; V117-F218 HydrophobicContact CG2-CB 3.65Å; V117-L219 HydrophobicContact CB-CD2 3.99Å; V117-L219 HydrophobicContact CB-CG 4.32Å; V117-L219 HydrophobicContact CG1-CD1 4.46Å; V117-L219 HydrophobicContact CG1-CD2 4.28Å; V117-L219 HydrophobicContact CG1-CG 4.1Å; V117-L219 HydrophobicContact CG2-CD2 3.78Å; V117-L219 HydrophobicContact CG2-CG 4.04Å; V117-F260 HydrophobicContact CG1-CE1 4.1Å; V117-F260 HydrophobicContact CG1-CZ 4.28Å
118L98.8Very high98.3Very high5 Ų528.6 Ų28.63%0.02615%0.149CC..Hα-helixtrans-68.3-37.6178.1-68.5168.3000112.3A114 T116 A121 E122 F260 F285 L288 F289 L292 F294A114-L118 VanDerWaalsContact O-CB 3.3Å; A114-L118 WeakPolarHBondContact O-CB 3.2Å; A114-L118 WeakPolarHBondContact O-CD1 3.28Å; A114-L118 WeakPolarHBondContact O-CG 3.47Å; A114-L118 PolarHBondContact O-N 3.47Å; T116-L118 PolarHBondContact O-N 2.69Å; L118-A121 PolarHBondContact O-N 2.82Å; L118-E122 PolarHBondContact O-N 3.5Å; L118-F260 HydrophobicContact CD2-CE1 4.47Å; L118-F260 HydrophobicContact CD2-CE2 4.34Å; L118-F260 HydrophobicContact CD2-CZ 3.69Å; L118-F260 HydrophobicContact CG-CZ 4.27Å; L118-F285 HydrophobicContact CD2-CB 3.67Å; L118-F285 HydrophobicContact CD2-CD1 3.49Å; L118-F285 VanDerWaalsContact CD2-CD1 3.49Å; L118-F285 HydrophobicContact CD2-CE1 4.39Å; L118-F285 HydrophobicContact CD2-CG 3.82Å; L118-L288 HydrophobicContact CD1-CD2 4.08Å; L118-L288 HydrophobicContact CD1-CG 3.98Å; L118-L288 HydrophobicContact CD2-CD2 3.93Å; L118-L288 HydrophobicContact CD2-CG 4.48Å; L118-F289 HydrophobicContact CB-CD2 3.81Å; L118-F289 HydrophobicContact CD1-CB 4.28Å; L118-F289 HydrophobicContact CD1-CD2 4.27Å; L118-L292 HydrophobicContact CD1-CD1 4.3Å; L118-F294 HydrophobicContact CD1-CD2 4.35Å; L118-F294 HydrophobicContact CD1-CE2 4.19Å
119T98.5Very high98.3Very high8 Ų829.9 Ų29.95%0.04915%0.153CC..Hα-helixtrans-66.4-39176-52.90000111.4K115 T116 F289 L296 Y298 Y300K115-T119 WeakPolarHBondContact O-CB 3.49Å; K115-T119 PolarHBondContact O-N 2.93Å; K115-T119 PolarHBondContact O-OG1 2.96Å; T116-T119 PolarHBondContact O-N 2.9Å; T119-F289 WeakPolarHBondContact OG1-CE2 3.42Å; T119-L296 HydrophobicContact CG2-CD1 3.93Å; T119-Y298 HydrophobicContact CG2-CD1 4.34Å; T119-Y300 HydrophobicContact CG2-CD1 4.35Å; T119-Y300 HydrophobicContact CG2-CE1 3.5Å
120L98.7Very high98.4Very high0 Ų028.2 Ų28.20%013%0.131CC..Hα-helixtrans-66.8-44.2171.9-72.8172000111.7L101 F112 T116 V117 E122 Q123 M124 M148 V157 Y300 W302L101-L120 HydrophobicContact CD1-CD1 4.24Å; L101-L120 HydrophobicContact CD1-CD2 4.06Å; L101-L120 HydrophobicContact CD2-CD1 4.16Å; L101-L120 HydrophobicContact CD2-CD2 3.73Å; F112-L120 HydrophobicContact CD2-CD1 4.1Å; F112-L120 HydrophobicContact CE2-CD1 3.94Å; T116-L120 HydrophobicContact CG2-CD1 3.94Å; T116-L120 WeakPolarHBondContact O-CB 3.27Å; T116-L120 WeakPolarHBondContact O-CG 3.36Å; T116-L120 PolarHBondContact O-N 2.66Å; V117-L120 PolarHBondContact O-N 3.3Å; L120-E122 PolarHBondContact O-N 3.17Å; L120-Q123 PolarHBondContact O-N 3.13Å; L120-Q123 VanDerWaalsContact O-N 3.1Å; L120-M124 HydrophobicContact CB-SD 4.06Å; L120-M124 WeakPolarHBondContact O-CB 3.16Å; L120-M124 VanDerWaalsContact O-CG 3.23Å; L120-M124 WeakPolarHBondContact O-CG 3.34Å; L120-M124 PolarHBondContact O-N 3.48Å; L120-M148 HydrophobicContact CD2-SD 4.46Å; L120-V157 HydrophobicContact CD2-CG2 3.59Å; L120-Y300 HydrophobicContact CD2-CE1 4.05Å; L120-Y300 HydrophobicContact CG-CD1 4.47Å; L120-Y300 HydrophobicContact CG-CE1 4.12Å; L120-W302 HydrophobicContact CD1-CH2 4.24Å; L120-W302 HydrophobicContact CD1-CZ3 4.43Å; L120-W302 HydrophobicContact CD2-CH2 4.25Å
121A98.7Very high98.4Very high0 Ų025.2 Ų25.20%012%0.12CC..Hα-helixtrans-59-42.9-177.400000113.2V117 L118 Q123 L125 F215 F285V117-A121 VanDerWaalsContact O-CB 3.29Å; V117-A121 WeakPolarHBondContact O-CB 3.43Å; V117-A121 PolarHBondContact O-N 2.8Å; L118-A121 PolarHBondContact O-N 2.82Å; A121-Q123 PolarHBondContact O-N 3.01Å; A121-L125 WeakPolarHBondContact O-CB 3.31Å; A121-L125 WeakPolarHBondContact O-CG 3.49Å; A121-L125 PolarHBondContact O-N 3.17Å; A121-F215 VanDerWaalsContact CA-CE1 3.47Å; A121-F215 VanDerWaalsContact CA-CZ 3.47Å; A121-F215 HydrophobicContact CB-CD1 4.11Å; A121-F215 HydrophobicContact CB-CD2 4.42Å; A121-F215 HydrophobicContact CB-CE1 3.53Å; A121-F215 HydrophobicContact CB-CE2 3.87Å; A121-F215 HydrophobicContact CB-CZ 3.37Å; A121-F285 HydrophobicContact CB-CD2 3.87Å; A121-F285 HydrophobicContact CB-CE2 4.12Å; A121-F285 HydrophobicContact CB-CG 4.48Å
122E98Very high98.4Very high43 Ų4318.7 Ų18.720%0.20110%0.096CC..Hα-helixtrans-54.1-51.3172.2171.762.1-150.500111.4L118 L120 W126 R282 R286L118-E122 PolarHBondContact O-N 3.5Å; L120-E122 PolarHBondContact O-N 3.17Å; E122-W126 PolarHBondContact O-N 3.47Å; E122-W126 VanDerWaalsContact OE1-CD1 3.29Å; E122-W126 PolarHBondContact OE1-NE1 3.02Å; E122-R282 WeakPolarHBondContact OE1-CD 3.47Å; E122-R282 WeakPolarHBondContact OE2-CD 3.42Å; E122-R282 WeakPolarHBondContact OE2-CG 3.38Å; E122-R286 IonicContact OE1-CZ 3.15Å; E122-R286 IonicContact OE1-NE 2.68Å; E122-R286 IonicContact OE1-NH2 2.72Å; E122-R286 PolarHBondContact OE1-NH2 2.92Å; E122-R286 IonicContact OE2-CZ 2.69Å; E122-R286 IonicContact OE2-NE 3.65Å; E122-R286 PolarHBondContact OE2-NE 2.64Å; E122-R286 IonicContact OE2-NH2 3.63Å; E122-R286 PolarHBondContact OE2-NH2 2.97Å
123Q98.4Very high98.3Very high23 Ų2326.8 Ų26.811%0.10713%0.127CC..Hα-helixtrans-70.4-41.9-178.3-68.1-157.660.900113.1L120 A121 W126 R127 N155 V157 Y300L120-Q123 PolarHBondContact O-N 3.13Å; L120-Q123 VanDerWaalsContact O-N 3.1Å; A121-Q123 PolarHBondContact O-N 3.01Å; Q123-W126 WeakPolarHBondContact O-CB 3.35Å; Q123-W126 PolarHBondContact O-N 3.44Å; Q123-R127 WeakPolarHBondContact O-CG 3.23Å; Q123-R127 PolarHBondContact O-N 3.46Å; Q123-R127 VanDerWaalsContact O-N 3.12Å; Q123-R127 PolarHBondContact O-NH1 3.35Å; Q123-N155 PolarHBondContact NE2-O 3.38Å; Q123-V157 HydrophobicContact CB-CB 4Å; Q123-V157 HydrophobicContact CB-CG2 3.84Å; Q123-V157 HydrophobicContact CG-CG2 4.41Å; Q123-Y300 PolarHBondContact NE2-OH 2.84Å
124M98.8Very high98.2Very high0 Ų028.8 Ų28.80%013%0.128CC..Hα-helixtrans-65.4-40.9-178.6-65.7168.68800110.9L101 L120 W126 R127 I128 F146 V157 L211 V214 F215 F218L101-M124 HydrophobicContact CD1-CE 3.83Å; L101-M124 HydrophobicContact CD1-SD 3.87Å; L120-M124 HydrophobicContact CB-SD 4.06Å; L120-M124 WeakPolarHBondContact O-CB 3.16Å; L120-M124 VanDerWaalsContact O-CG 3.23Å; L120-M124 WeakPolarHBondContact O-CG 3.34Å; L120-M124 PolarHBondContact O-N 3.48Å; M124-W126 VanDerWaalsContact C-N 3.3Å; M124-W126 PolarHBondContact O-N 3.49Å; M124-R127 WeakPolarHBondContact O-CB 3.25Å; M124-R127 PolarHBondContact O-N 3.22Å; M124-I128 WeakPolarHBondContact O-CG1 3.19Å; M124-I128 PolarHBondContact O-N 3.06Å; M124-F146 HydrophobicContact CB-CE1 4.09Å; M124-F146 HydrophobicContact CB-CZ 4.5Å; M124-F146 HydrophobicContact CE-CB 4.28Å; M124-F146 HydrophobicContact CE-CD1 3.96Å; M124-F146 HydrophobicContact CE-CD2 3.38Å; M124-F146 HydrophobicContact CE-CE1 4.08Å; M124-F146 HydrophobicContact CE-CE2 3.54Å; M124-F146 HydrophobicContact CE-CG 3.61Å; M124-F146 HydrophobicContact CE-CZ 3.88Å; M124-F146 HydrophobicContact CG-CD1 3.92Å; M124-F146 HydrophobicContact CG-CE1 3.97Å; M124-F146 HydrophobicContact CG-CG 4.43Å; M124-V157 HydrophobicContact CG-CG1 4.22Å; M124-L211 HydrophobicContact CB-CD1 3.92Å; M124-L211 HydrophobicContact CB-CD2 4.2Å; M124-L211 HydrophobicContact CE-CD1 3.62Å; M124-L211 HydrophobicContact SD-CD1 4.31Å; M124-V214 HydrophobicContact CE-CG1 3.94Å; M124-F215 HydrophobicContact CB-CE1 4.49Å; M124-F215 HydrophobicContact SD-CE1 3.9Å; M124-F218 HydrophobicContact CE-CE2 4.44Å
125L98.7Very high98.1Very high0 Ų027.6 Ų27.60%012%0.119CC..Hα-helixtrans-58.3-39.8172.9-81.2168.3000112.4A121 I128 E129 I208 L211 Y263 L281 R282 F285A121-L125 WeakPolarHBondContact O-CB 3.31Å; A121-L125 WeakPolarHBondContact O-CG 3.49Å; A121-L125 PolarHBondContact O-N 3.17Å; L125-I128 PolarHBondContact O-N 3.12Å; L125-E129 WeakPolarHBondContact O-CB 3.44Å; L125-E129 PolarHBondContact O-N 3.3Å; L125-I208 HydrophobicContact CD2-CD1 3.91Å; L125-L211 HydrophobicContact CD2-CD2 3.95Å; L125-L211 HydrophobicContact CG-CD2 4.06Å; L125-Y263 HydrophobicContact CD1-CE2 4.26Å; L125-Y263 HydrophobicContact CD2-CE2 4.09Å; L125-L281 HydrophobicContact CD1-CB 4.11Å; L125-L281 HydrophobicContact CD2-CB 4.25Å; L125-L281 HydrophobicContact CD2-CD1 4.46Å; L125-R282 HydrophobicContact CB-CG 3.94Å; L125-R282 HydrophobicContact CD1-CG 3.72Å; L125-R282 HydrophobicContact CG-CG 4.48Å; L125-F285 HydrophobicContact CD1-CD2 4.21Å; L125-F285 HydrophobicContact CD1-CE2 4.4Å
126W98.2Very high98.1Very high104 Ų10426.3 Ų26.339%0.39411%0.113SC..Hα-helixtrans-63.1-37.3172.1-82.6112.9000113.4E122 Q123 M124 E129 C130E122-W126 PolarHBondContact O-N 3.47Å; E122-W126 VanDerWaalsContact OE1-CD1 3.29Å; E122-W126 PolarHBondContact OE1-NE1 3.02Å; Q123-W126 WeakPolarHBondContact O-CB 3.35Å; Q123-W126 PolarHBondContact O-N 3.44Å; M124-W126 VanDerWaalsContact C-N 3.3Å; M124-W126 PolarHBondContact O-N 3.49Å; W126-E129 VanDerWaalsContact CZ3-OE2 3.28Å; W126-E129 WeakPolarHBondContact CZ3-OE2 3.49Å; W126-C130 WeakPolarHBondContact O-CB 3.37Å; W126-C130 PolarHBondContact O-N 3.37Å; W126-C130 PolarHBondContact O-SG 3.18Å
127R98.6Very high98.1Very high12 Ų1226.3 Ų26.35%0.04511%0.113CC..Hα-helixtrans-64.4-46.9176-57.3-51.8166.3-92.3-5.9111.4S72 Q123 M124 C130 V131 F146 V157 I159S72-R127 WeakPolarHBondContact O-CD 3.24Å; S72-R127 PolarHBondContact O-NE 3.17Å; Q123-R127 WeakPolarHBondContact O-CG 3.23Å; Q123-R127 PolarHBondContact O-N 3.46Å; Q123-R127 VanDerWaalsContact O-N 3.12Å; Q123-R127 PolarHBondContact O-NH1 3.35Å; M124-R127 WeakPolarHBondContact O-CB 3.25Å; M124-R127 PolarHBondContact O-N 3.22Å; R127-C130 PolarHBondContact O-N 3.06Å; R127-V131 WeakPolarHBondContact O-CG2 3.09Å; R127-V131 PolarHBondContact O-N 3.45Å; R127-V131 VanDerWaalsContact O-N 3.08Å; R127-F146 HydrophobicContact CB-CE1 4.26Å; R127-F146 HydrophobicContact CG-CE1 4.47Å; R127-V157 PolarHBondContact NE-O 2.9Å; R127-V157 PolarHBondContact NH2-O 3.45Å; R127-I159 HydrophobicContact CB-CB 3.99Å; R127-I159 HydrophobicContact CB-CD1 4.22Å; R127-I159 HydrophobicContact CB-CG2 3.79Å; R127-I159 HydrophobicContact CG-CB 4.22Å; R127-I159 HydrophobicContact CG-CG2 4.14Å
128I98.6Very high98.1Very high1 Ų126.3 Ų26.31%0.00511%0.113CC..Hα-helixtrans-60.2-47.2176.9-61-52.8000110.8M124 L125 C130 V131 H132 I141 F146 I159 D207 I208 L211 Y278M124-I128 WeakPolarHBondContact O-CG1 3.19Å; M124-I128 PolarHBondContact O-N 3.06Å; L125-I128 PolarHBondContact O-N 3.12Å; I128-C130 PolarHBondContact O-N 3.38Å; I128-V131 PolarHBondContact O-N 3.09Å; I128-H132 WeakPolarHBondContact CG2-CE1 3.25Å; I128-H132 WeakPolarHBondContact O-CB 3.49Å; I128-H132 PolarHBondContact O-CD2 3.46Å; I128-H132 PolarHBondContact O-N 3.32Å; I128-I141 HydrophobicContact CD1-CD1 3.42Å; I128-I141 VanDerWaalsContact CD1-CD1 3.42Å; I128-I141 HydrophobicContact CD1-CG1 4.09Å; I128-F146 HydrophobicContact CD1-CZ 4.24Å; I128-I159 HydrophobicContact CD1-CD1 4Å; I128-D207 HydrophobicContact CG2-CB 4.34Å; I128-I208 HydrophobicContact CG2-CD1 3.86Å; I128-I208 HydrophobicContact CG2-CG1 4.43Å; I128-L211 HydrophobicContact CG1-CD2 4.1Å; I128-Y278 HydrophobicContact CG2-CE1 4.49Å
129E98.3Very high98.1Very high44 Ų4427.3 Ų27.321%0.20612%0.117CC..Hα-helixtrans-59.7-42.6176.6-175.5171.6-151.800112.5L125 W126 V131 H132 Y133 Y278 R282L125-E129 WeakPolarHBondContact O-CB 3.44Å; L125-E129 PolarHBondContact O-N 3.3Å; W126-E129 VanDerWaalsContact CZ3-OE2 3.28Å; W126-E129 WeakPolarHBondContact CZ3-OE2 3.49Å; E129-V131 PolarHBondContact O-N 3.46Å; E129-H132 PolarHBondContact O-N 3.19Å; E129-Y133 VanDerWaalsContact O-CB 3.22Å; E129-Y133 WeakPolarHBondContact O-CB 3.24Å; E129-Y133 PolarHBondContact O-N 3.15Å; E129-Y278 HydrophobicContact CB-CD1 3.77Å; E129-Y278 HydrophobicContact CB-CD2 4.11Å; E129-Y278 HydrophobicContact CB-CE1 4Å; E129-Y278 HydrophobicContact CB-CE2 4.34Å; E129-Y278 HydrophobicContact CB-CG 3.83Å; E129-Y278 VanDerWaalsContact CD-CD2 3.43Å; E129-Y278 HydrophobicContact CG-CD1 4.2Å; E129-Y278 HydrophobicContact CG-CD2 3.58Å; E129-Y278 HydrophobicContact CG-CE1 4.41Å; E129-Y278 HydrophobicContact CG-CE2 3.84Å; E129-Y278 HydrophobicContact CG-CG 3.79Å; E129-Y278 WeakPolarHBondContact OE1-CD2 3.38Å; E129-R282 IonicContact OE1-NH2 3.55Å; E129-R282 IonicContact OE2-CZ 3.99Å; E129-R282 IonicContact OE2-NH1 3.73Å; E129-R282 PolarHBondContact OE2-NH1 3.01Å; E129-R282 IonicContact OE2-NH2 2.69Å; E129-R282 PolarHBondContact OE2-NH2 3.13Å
130C97.5Very high98.1Very high31 Ų3127.3 Ų27.321%0.20912%0.116CC..Hα-helixtrans-61.6-42176.2-73.80000112.7W126 R127 I128 R134W126-C130 WeakPolarHBondContact O-CB 3.37Å; W126-C130 PolarHBondContact O-N 3.37Å; W126-C130 PolarHBondContact O-SG 3.18Å; R127-C130 PolarHBondContact O-N 3.06Å; I128-C130 PolarHBondContact O-N 3.38Å; C130-R134 VanDerWaalsContact O-CG 3.28Å; C130-R134 WeakPolarHBondContact O-CG 3.4Å; C130-R134 PolarHBondContact O-N 3.02Å
131V98.2Very high98.1Very high1 Ų127.5 Ų27.51%0.00612%0.117CC..Hα-helixtrans-65.3-46.7176.6174.70000110.4L68 R127 I128 E129 Y133 R134 G135 L136 F162L68-V131 HydrophobicContact CD1-CG2 4.23Å; L68-V131 HydrophobicContact CD2-CG2 4.44Å; R127-V131 WeakPolarHBondContact O-CG2 3.09Å; R127-V131 PolarHBondContact O-N 3.45Å; R127-V131 VanDerWaalsContact O-N 3.08Å; I128-V131 PolarHBondContact O-N 3.09Å; E129-V131 PolarHBondContact O-N 3.46Å; V131-Y133 PolarHBondContact O-N 2.83Å; V131-R134 PolarHBondContact O-N 3.08Å; V131-G135 PolarHBondContact O-N 3.45Å; V131-L136 CarbonylContact C-O 3.36Å; V131-L136 HydrophobicContact CG1-CB 3.78Å; V131-L136 PolarHBondContact O-N 2.88Å; V131-F162 HydrophobicContact CG1-CE1 4.34Å; V131-F162 HydrophobicContact CG2-CE1 3.78Å; V131-F162 HydrophobicContact CG2-CZ 4.09Å
132H98.2Very high98.1Very high3 Ų328.1 Ų28.11%0.01412%0.12CC..Hα-helixtrans-62.7-40.1177.5-68.8-177.5000112.7I128 E129 R134 G135 L136 F168 R204 D207 Y278I128-H132 WeakPolarHBondContact CG2-CE1 3.25Å; I128-H132 WeakPolarHBondContact O-CB 3.49Å; I128-H132 PolarHBondContact O-CD2 3.46Å; I128-H132 PolarHBondContact O-N 3.32Å; E129-H132 PolarHBondContact O-N 3.19Å; H132-R134 VanDerWaalsContact C-N 3.32Å; H132-R134 PolarHBondContact O-N 2.82Å; H132-G135 PolarHBondContact O-N 2.78Å; H132-L136 WeakPolarHBondContact CA-O 3.03Å; H132-L136 PolarHBondContact CD2-O 3.37Å; H132-F168 VanDerWaalsContact O-CE1 3.26Å; H132-F168 WeakPolarHBondContact O-CE1 3.22Å; H132-F168 WeakPolarHBondContact O-CZ 3.43Å; H132-R204 HydrophobicContact CB-CG 4.13Å; H132-R204 VanDerWaalsContact CE1-CA 3.49Å; H132-R204 WeakPolarHBondContact CE1-CA 3.29Å; H132-R204 PolarHBondContact CE1-O 3.01Å; H132-R204 VanDerWaalsContact CE1-O 3.25Å; H132-D207 IonicContact NE2-OD2 3.43Å; H132-D207 PolarHBondContact NE2-OD2 2.96Å; H132-Y278 WeakPolarHBondContact CB-OH 3.46Å; H132-Y278 AromaticContact ND1-CE1 3.76Å; H132-Y278 AromaticContact ND1-CZ 3.69Å; H132-Y278 PolarHBondContact ND1-OH 3.07Å
133Y95.8Very high98.1Very high176 Ų17626 Ų2669%0.6911%0.11SC*.Hα-helixtrans-58.8-44.5176.6-178.4-105.4000111.3E129 V131 G135 R169E129-Y133 VanDerWaalsContact O-CB 3.22Å; E129-Y133 WeakPolarHBondContact O-CB 3.24Å; E129-Y133 PolarHBondContact O-N 3.15Å; V131-Y133 PolarHBondContact O-N 2.83Å; Y133-G135 PolarHBondContact O-N 3.41Å; Y133-G135 VanDerWaalsContact O-N 3.12Å; Y133-R169 PolarHBondContact O-NH2 2.9Å
134R95.9Very high98.1Very high88 Ų8827 Ų2733%0.33212%0.116SC..THydrogen-bonded Turntrans-67.9-5.1176.3-63.4-74-167.1-175.37.7114.2V67 L68 Q69 S71 C130 V131 H132 L136V67-R134 HydrophobicContact CG1-CB 4.35Å; V67-R134 WeakPolarHBondContact O-CD 3.14Å; L68-R134 HydrophobicContact CD2-CB 3.73Å; L68-R134 HydrophobicContact CD2-CG 3.72Å; Q69-R134 PolarHBondContact O-NH2 3.12Å; S71-R134 PolarHBondContact OG-NE 3.43Å; S71-R134 PolarHBondContact OG-NH2 2.87Å; C130-R134 VanDerWaalsContact O-CG 3.28Å; C130-R134 WeakPolarHBondContact O-CG 3.4Å; C130-R134 PolarHBondContact O-N 3.02Å; V131-R134 PolarHBondContact O-N 3.08Å; H132-R134 VanDerWaalsContact C-N 3.32Å; H132-R134 PolarHBondContact O-N 2.82Å; R134-L136 HydrophobicContact CB-CD1 4.48Å
135G97.2Very high98Very high4 Ų427.3 Ų27.34%0.04112%0.118CC..THydrogen-bonded Turntrans89.818.117600000114.4V131 H132 Y133 R167 F168V131-G135 PolarHBondContact O-N 3.45Å; H132-G135 PolarHBondContact O-N 2.78Å; Y133-G135 PolarHBondContact O-N 3.41Å; Y133-G135 VanDerWaalsContact O-N 3.12Å; G135-R167 WeakPolarHBondContact O-CA 3.2Å; G135-F168 VanDerWaalsContact CA-CE1 3.5Å; G135-F168 WeakPolarHBondContact O-CD1 3.43Å; G135-F168 PolarHBondContact O-N 3.01Å; G135-F168 VanDerWaalsContact O-N 3.08Å
136L98.3Very high98Very high9 Ų927.3 Ų27.35%0.04712%0.118CC..EExtended strand (participates in β ladder)trans-112.5154.9-179.6-68.3155.9000110.6V64 V67 L68 V131 H132 R134 K166 F168V64-L136 HydrophobicContact CG1-CD1 3.83Å; V64-L136 HydrophobicContact CG2-CD2 4.45Å; V67-L136 HydrophobicContact CB-CD1 4.44Å; V67-L136 HydrophobicContact CG1-CD1 3.93Å; L68-L136 HydrophobicContact CD2-CD1 3.7Å; L68-L136 HydrophobicContact CG-CD1 4.04Å; V131-L136 CarbonylContact C-O 3.36Å; V131-L136 HydrophobicContact CG1-CB 3.78Å; V131-L136 PolarHBondContact O-N 2.88Å; H132-L136 WeakPolarHBondContact CA-O 3.03Å; H132-L136 PolarHBondContact CD2-O 3.37Å; R134-L136 HydrophobicContact CB-CD1 4.48Å; L136-K166 CarbonylContact C-O 3.54Å; L136-K166 VanDerWaalsContact CA-O 3.29Å; L136-K166 WeakPolarHBondContact CA-O 3.3Å; L136-F168 WeakPolarHBondContact O-CD1 3.27Å; L136-F168 WeakPolarHBondContact O-CE1 3.49Å
137I98.7Very high98Very high0 Ų023.6 Ų23.60%011%0.106CC..EExtended strand (participates in β ladder)trans-120151.9161.950.3175.1000107.9R139 A165 K166 F168 Q202 R204 D207I137-R139 HydrophobicContact CB-CG 4.37Å; I137-R139 HydrophobicContact CD1-CG 3.75Å; I137-R139 HydrophobicContact CG1-CG 3.87Å; I137-A165 CarbonylContact O-C 3.49Å; I137-A165 VanDerWaalsContact O-CA 3.23Å; I137-A165 WeakPolarHBondContact O-CA 3.37Å; I137-A165 WeakPolarHBondContact O-CB 3.34Å; I137-K166 HydrophobicContact CD1-CB 4.47Å; I137-K166 HydrophobicContact CG1-CB 4.1Å; I137-K166 WeakPolarHBondContact CG1-O 3.4Å; I137-K166 PolarHBondContact N-O 3.08Å; I137-K166 PolarHBondContact O-N 3.4Å; I137-F168 HydrophobicContact CD1-CB 4.39Å; I137-F168 HydrophobicContact CG1-CB 4.36Å; I137-F168 HydrophobicContact CG2-CB 4.15Å; I137-F168 HydrophobicContact CG2-CD1 3.78Å; I137-F168 HydrophobicContact CG2-CG 4.18Å; I137-Q202 HydrophobicContact CD1-CB 4.14Å; I137-Q202 WeakPolarHBondContact CD1-O 3.45Å; I137-R204 HydrophobicContact CG2-CG 4.14Å; I137-D207 WeakPolarHBondContact CA-OD2 3.11Å; I137-D207 WeakPolarHBondContact CB-OD2 3.39Å
138H98.6Very high98Very high0 Ų023 Ų230%010%0.103CC..  trans-87.4-46.7-174.6-165.1-61.1000112D140 I141 N145 V160 D161 F162 L164 A165 D207H138-D140 PolarHBondContact CE1-O 3.45Å; H138-D140 PolarHBondContact ND1-N 3.41Å; H138-D140 PolarHBondContact O-N 3.23Å; H138-I141 HydrophobicContact CB-CD1 3.55Å; H138-I141 HydrophobicContact CB-CG1 4.39Å; H138-N145 PolarHBondContact CE1-ND2 3.1Å; H138-V160 PolarHBondContact CE1-O 2.68Å; H138-V160 VanDerWaalsContact CE1-O 3.28Å; H138-V160 PolarHBondContact NE2-O 2.81Å; H138-D161 PolarHBondContact CE1-O 3.45Å; H138-F162 AromaticContact CD2-CD1 3.8Å; H138-F162 AromaticContact CD2-CE1 3.56Å; H138-L164 CarbonylContact O-C 3.39Å; H138-A165 WeakPolarHBondContact O-CA 3.26Å; H138-A165 PolarHBondContact O-N 3.04Å; H138-D207 PolarHBondContact N-OD2 3.11Å
139R98.5Very high97.9Very high27 Ų2723 Ų2310%0.10210%0.104CC..SBendtrans65.49.6179.2-49.6-169.6-61.8155.94.3116I137 L164 G187 Q202 D207I137-R139 HydrophobicContact CB-CG 4.37Å; I137-R139 HydrophobicContact CD1-CG 3.75Å; I137-R139 HydrophobicContact CG1-CG 3.87Å; R139-L164 PolarHBondContact NE-O 2.93Å; R139-L164 PolarHBondContact NH2-O 2.89Å; R139-G187 WeakPolarHBondContact O-CA 3.18Å; R139-Q202 HydrophobicContact CG-CB 4.23Å; R139-Q202 VanDerWaalsContact CG-OE1 3.26Å; R139-D207 PolarHBondContact N-OD1 3.23Å
140D97.8Very high97.7Very high7 Ų724.9 Ų24.94%0.03711%0.114CC..  trans-146.556.2171.3-164.138.4000112H138 K142 N145 L164 G187 T188H138-D140 PolarHBondContact CE1-O 3.45Å; H138-D140 PolarHBondContact ND1-N 3.41Å; H138-D140 PolarHBondContact O-N 3.23Å; D140-K142 PolarHBondContact O-N 3Å; D140-K142 VanDerWaalsContact O-N 3.16Å; D140-K142 IonicContact OD2-NZ 2.84Å; D140-K142 PolarHBondContact OD2-NZ 3.02Å; D140-N145 PolarHBondContact O-ND2 3.03Å; D140-N145 PolarHBondContact OD2-ND2 3.36Å; D140-L164 HydrophobicContact CB-CB 4.48Å; D140-L164 HydrophobicContact CB-CD1 4.02Å; D140-G187 WeakPolarHBondContact OD1-CA 3.36Å; D140-T188 WeakPolarHBondContact OD1-CB 3.43Å; D140-T188 PolarHBondContact OD1-N 3.42Å; D140-T188 PolarHBondContact OD1-OG1 2.94Å
141I98.7Very high97.6Very high4 Ų425.8 Ų25.82%0.02113%0.128CC..  trans-72.8105.2176.9-59.9-48.2000109.9I128 H138 F146 I159 Y191 D207 L211 V214I128-I141 HydrophobicContact CD1-CD1 3.42Å; I128-I141 VanDerWaalsContact CD1-CD1 3.42Å; I128-I141 HydrophobicContact CD1-CG1 4.09Å; H138-I141 HydrophobicContact CB-CD1 3.55Å; H138-I141 HydrophobicContact CB-CG1 4.39Å; I141-F146 HydrophobicContact CD1-CE2 4.49Å; I141-F146 HydrophobicContact CD1-CZ 4.33Å; I141-F146 HydrophobicContact CG2-CE2 4.05Å; I141-F146 HydrophobicContact CG2-CZ 4.44Å; I141-I159 HydrophobicContact CD1-CD1 4.38Å; I141-Y191 WeakPolarHBondContact O-CB 3.44Å; I141-D207 HydrophobicContact CG1-CB 3.99Å; I141-D207 WeakPolarHBondContact CG1-OD1 3.12Å; I141-L211 HydrophobicContact CG2-CB 4Å; I141-L211 HydrophobicContact CG2-CD1 3.82Å; I141-V214 HydrophobicContact CG2-CG2 4.35Å
142K98.3Very high97.3Very high13 Ų1331.5 Ų31.56%0.05717%0.166CC..  trans-147.2155.3-179.169.3-172.5-167.5-136.40110.8D140 D144 N145 F146 T188 Y191D140-K142 PolarHBondContact O-N 3Å; D140-K142 VanDerWaalsContact O-N 3.16Å; D140-K142 IonicContact OD2-NZ 2.84Å; D140-K142 PolarHBondContact OD2-NZ 3.02Å; K142-D144 HydrophobicContact CD-CB 4.23Å; K142-D144 WeakPolarHBondContact CD-OD2 3.38Å; K142-D144 HydrophobicContact CG-CB 4.09Å; K142-D144 WeakPolarHBondContact CG-OD2 3.18Å; K142-D144 PolarHBondContact O-N 3.33Å; K142-N145 VanDerWaalsContact CE-CG 3.49Å; K142-N145 WeakPolarHBondContact CE-OD1 3.42Å; K142-N145 HydrophobicContact CG-CB 4Å; K142-N145 PolarHBondContact NZ-OD1 3.48Å; K142-N145 PolarHBondContact O-N 3.37Å; K142-F146 WeakPolarHBondContact O-CD2 3.49Å; K142-T188 WeakPolarHBondContact CD-OG1 3.18Å; K142-Y191 HydrophobicContact CB-CD2 3.39Å; K142-Y191 HydrophobicContact CB-CE2 3.54Å; K142-Y191 HydrophobicContact CB-CG 4.36Å
143P98.7Very high97.1Very high0 Ų035.2 Ų35.20%018%0.183CC..G310 helixtrans-54.9-34.4-179.2-2635.7000114.1L101 E102 N145 F146 Y191 V214 Y217 F218L101-P143 HydrophobicContact CB-CB 4.15Å; L101-P143 PolarHBondContact N-O 2.84Å; E102-P143 HydrophobicContact CB-CB 4.04Å; P143-N145 PolarHBondContact O-N 2.83Å; P143-F146 PolarHBondContact O-N 3.42Å; P143-F146 VanDerWaalsContact O-O 3.07Å; P143-Y191 VanDerWaalsContact CD-CE2 3.49Å; P143-Y191 WeakPolarHBondContact CD-OH 3.33Å; P143-Y191 HydrophobicContact CG-CE1 4.39Å; P143-V214 HydrophobicContact CG-CG1 4.12Å; P143-Y217 HydrophobicContact CG-CD1 3.93Å; P143-Y217 HydrophobicContact CG-CE1 3.75Å; P143-F218 HydrophobicContact CB-CE1 3.79Å; P143-F218 HydrophobicContact CB-CZ 3.76Å; P143-F218 HydrophobicContact CG-CE1 3.8Å; P143-F218 HydrophobicContact CG-CZ 3.87Å
144D97.4Very high97Very high42 Ų4227.4 Ų27.423%0.22515%0.154CC..G310 helixtrans-63.8-27.8179.9-32.4-113.3000112.6K142 F146 L147 H330K142-D144 HydrophobicContact CD-CB 4.23Å; K142-D144 WeakPolarHBondContact CD-OD2 3.38Å; K142-D144 HydrophobicContact CG-CB 4.09Å; K142-D144 WeakPolarHBondContact CG-OD2 3.18Å; K142-D144 PolarHBondContact O-N 3.33Å; D144-F146 VanDerWaalsContact C-N 3.35Å; D144-L147 VanDerWaalsContact O-CD1 3.23Å; D144-L147 WeakPolarHBondContact O-CD1 3.49Å; D144-H330 IonicContact OD1-CE1 3.95Å; D144-H330 PolarHBondContact OD1-CE1 2.9Å; D144-H330 VanDerWaalsContact OD1-CE1 3.25Å; D144-H330 IonicContact OD1-NE2 3.57Å
145N98Very high97Very high7 Ų725.6 Ų25.64%0.03715%0.151CC..G310 helixtrans-90.85-179.4-73.5-7.3000113.3H138 D140 K142 P143 V160H138-N145 PolarHBondContact CE1-ND2 3.1Å; D140-N145 PolarHBondContact O-ND2 3.03Å; D140-N145 PolarHBondContact OD2-ND2 3.36Å; K142-N145 VanDerWaalsContact CE-CG 3.49Å; K142-N145 WeakPolarHBondContact CE-OD1 3.42Å; K142-N145 HydrophobicContact CG-CB 4Å; K142-N145 PolarHBondContact NZ-OD1 3.48Å; K142-N145 PolarHBondContact O-N 3.37Å; P143-N145 PolarHBondContact O-N 2.83Å; N145-V160 PolarHBondContact O-N 3.01Å
146F98.7Very high97Very high0 Ų029.4 Ų29.40%016%0.164CC..EExtended strand (participates in β ladder)trans-117.5121.3169.1-66.8-90000109.6S100 L101 M124 R127 I128 I141 K142 P143 D144 V157 F158 I159 L211S100-F146 CarbonylContact C-O 3.44Å; S100-F146 VanDerWaalsContact CA-O 3.3Å; S100-F146 WeakPolarHBondContact CA-O 3.45Å; L101-F146 HydrophobicContact CD1-CB 3.65Å; L101-F146 HydrophobicContact CD1-CG 4.43Å; L101-F146 HydrophobicContact CG-CB 3.9Å; L101-F146 PolarHBondContact N-O 2.95Å; M124-F146 HydrophobicContact CB-CE1 4.09Å; M124-F146 HydrophobicContact CB-CZ 4.5Å; M124-F146 HydrophobicContact CE-CB 4.28Å; M124-F146 HydrophobicContact CE-CD1 3.96Å; M124-F146 HydrophobicContact CE-CD2 3.38Å; M124-F146 HydrophobicContact CE-CE1 4.08Å; M124-F146 HydrophobicContact CE-CE2 3.54Å; M124-F146 HydrophobicContact CE-CG 3.61Å; M124-F146 HydrophobicContact CE-CZ 3.88Å; M124-F146 HydrophobicContact CG-CD1 3.92Å; M124-F146 HydrophobicContact CG-CE1 3.97Å; M124-F146 HydrophobicContact CG-CG 4.43Å; R127-F146 HydrophobicContact CB-CE1 4.26Å; R127-F146 HydrophobicContact CG-CE1 4.47Å; I128-F146 HydrophobicContact CD1-CZ 4.24Å; I141-F146 HydrophobicContact CD1-CE2 4.49Å; I141-F146 HydrophobicContact CD1-CZ 4.33Å; I141-F146 HydrophobicContact CG2-CE2 4.05Å; I141-F146 HydrophobicContact CG2-CZ 4.44Å; K142-F146 WeakPolarHBondContact O-CD2 3.49Å; P143-F146 PolarHBondContact O-N 3.42Å; P143-F146 VanDerWaalsContact O-O 3.07Å; D144-F146 VanDerWaalsContact C-N 3.35Å; F146-V157 HydrophobicContact CB-CG1 4.1Å; F146-V157 HydrophobicContact CD1-CG1 3.8Å; F146-V157 HydrophobicContact CG-CG1 4.4Å; F146-F158 VanDerWaalsContact CA-O 3.28Å; F146-F158 WeakPolarHBondContact CA-O 3.33Å; F146-I159 HydrophobicContact CD1-CB 4.21Å; F146-I159 HydrophobicContact CD1-CG1 4.37Å; F146-I159 HydrophobicContact CE1-CB 4.07Å; F146-I159 HydrophobicContact CE1-CD1 3.77Å; F146-I159 HydrophobicContact CE1-CG1 3.97Å; F146-I159 HydrophobicContact CZ-CD1 3.83Å; F146-I159 HydrophobicContact CZ-CG1 4.28Å; F146-L211 HydrophobicContact CE2-CD1 4.39Å; F146-L211 HydrophobicContact CZ-CD1 4.19Å
147L98.3Very high97Very high27 Ų2729 Ų2914%0.14116%0.162CC..EExtended strand (participates in β ladder)trans-119.5149.1-178.2-80.765.9000109.9L97 P99 D144 V157 F158 V160L97-L147 HydrophobicContact CB-CB 4.1Å; L97-L147 HydrophobicContact CB-CD2 3.78Å; L97-L147 HydrophobicContact CD1-CB 3.75Å; L97-L147 HydrophobicContact CD1-CD2 4.03Å; P99-L147 WeakPolarHBondContact O-CA 3.36Å; D144-L147 VanDerWaalsContact O-CD1 3.23Å; D144-L147 WeakPolarHBondContact O-CD1 3.49Å; L147-V157 CarbonylContact O-C 3.49Å; L147-F158 PolarHBondContact N-O 3.38Å; L147-F158 PolarHBondContact O-N 3.21Å; L147-V160 HydrophobicContact CD1-CG2 3.69Å
148M98.2Very high97Very high0 Ų029.5 Ų29.50%016%0.164CC..EExtended strand (participates in β ladder)trans-80.2152.2168.7-60.7-56.2-66.200110.2G98 P99 L101 L104 L120 C154 N155 V157 Y300 W302 M419G98-M148 WeakPolarHBondContact CA-O 3.49Å; G98-M148 PolarHBondContact N-O 3.45Å; P99-M148 PolarHBondContact O-N 3.15Å; L101-M148 HydrophobicContact CD2-CG 4.45Å; L101-M148 HydrophobicContact CD2-SD 4.13Å; L104-M148 HydrophobicContact CD1-CG 3.52Å; L120-M148 HydrophobicContact CD2-SD 4.46Å; M148-C154 WeakPolarHBondContact CE-O 3.39Å; M148-N155 VanDerWaalsContact CE-C 3.43Å; M148-N155 WeakPolarHBondContact CE-O 3.39Å; M148-V157 HydrophobicContact CE-CG2 4.38Å; M148-V157 HydrophobicContact SD-CB 4.46Å; M148-V157 HydrophobicContact SD-CG2 3.76Å; M148-Y300 HydrophobicContact CE-CE2 3.86Å; M148-W302 HydrophobicContact CE-CZ2 4.28Å; M148-W302 HydrophobicContact CG-CZ2 4.2Å; M148-W302 HydrophobicContact SD-CZ2 4.23Å; M148-M419 HydrophobicContact CB-CE 3.36Å; M148-M419 HydrophobicContact CG-CE 3.75Å
149G96.8Very high97Very high1 Ų129.5 Ų29.51%0.0116%0.164CC..  trans-69.1177.8170.200000113.1H153 C154 R156G149-H153 VanDerWaalsContact CA-O 3.26Å; G149-H153 WeakPolarHBondContact CA-O 3.36Å; G149-H153 PolarHBondContact N-O 3.49Å; G149-C154 WeakPolarHBondContact O-CA 3.46Å; G149-R156 PolarHBondContact N-O 3.3Å
150I94.8Very high96.9Very high82 Ų8229.1 Ų29.142%0.42117%0.165SC..  trans-112.5162.8172.155.2168.1000110.9L96 H153L96-I150 HydrophobicContact CB-CD1 4.31Å; L96-I150 HydrophobicContact CD2-CD1 4.46Å; L96-I150 HydrophobicContact CG-CD1 4.43Å; I150-H153 PolarHBondContact O-N 2.95Å
151G93.5Very high96.8Very high50 Ų5030 Ų3052%0.51517%0.17SC..G310 helixtrans52.6-130.3176.200000112.7H153 C154G151-H153 PolarHBondContact O-N 3.31Å; G151-C154 VanDerWaalsContact O-CB 3.28Å; G151-C154 WeakPolarHBondContact O-CB 3.42Å; G151-C154 PolarHBondContact O-N 3.26Å; G151-C154 PolarHBondContact O-SG 2.98Å
152P92.5Very high96.7Very high121 Ų12129.9 Ų29.979%0.78617%0.169SC*.G310 helixtrans-611.2176.2-23.935.1000116.4
153H93.8Very high96.5Very high82 Ų8229.6 Ų29.638%0.3817%0.169SC..G310 helixtrans-117.811176.9-62-13.4000112.8G149 I150 G151 N155 R156 F158G149-H153 VanDerWaalsContact CA-O 3.26Å; G149-H153 WeakPolarHBondContact CA-O 3.36Å; G149-H153 PolarHBondContact N-O 3.49Å; I150-H153 PolarHBondContact O-N 2.95Å; G151-H153 PolarHBondContact O-N 3.31Å; H153-N155 PolarHBondContact O-N 3.21Å; H153-N155 VanDerWaalsContact O-N 3.12Å; H153-R156 WeakPolarHBondContact O-CB 3.46Å; H153-R156 PolarHBondContact O-N 2.75Å; H153-F158 HydrophobicContact CB-CE2 4.24Å; H153-F158 HydrophobicContact CB-CZ 4.39Å
154C94.5Very high96.4Very high12 Ų1230.5 Ų30.58%0.08117%0.174CC..THydrogen-bonded Turntrans-57.9-2218061.20000115.5M148 G149 G151 C418M148-C154 WeakPolarHBondContact CE-O 3.39Å; G149-C154 WeakPolarHBondContact O-CA 3.46Å; G151-C154 VanDerWaalsContact O-CB 3.28Å; G151-C154 WeakPolarHBondContact O-CB 3.42Å; G151-C154 PolarHBondContact O-N 3.26Å; G151-C154 PolarHBondContact O-SG 2.98Å; C154-C418 HydrophobicContact CB-CB 3.83Å; C154-C418 VanDerWaalsContact SG-CB 3.51Å; C154-C418 VanDerWaalsContact SG-SG 3.64Å
155N95.3Very high96.4Very high50 Ų5028.7 Ų28.727%0.26717%0.165SC..THydrogen-bonded Turntrans-90.7-10.1174.969.2-17.8000114.2Q123 M148 H153 Y298 Y300Q123-N155 PolarHBondContact NE2-O 3.38Å; M148-N155 VanDerWaalsContact CE-C 3.43Å; M148-N155 WeakPolarHBondContact CE-O 3.39Å; H153-N155 PolarHBondContact O-N 3.21Å; H153-N155 VanDerWaalsContact O-N 3.12Å; N155-Y298 HydrophobicContact CB-CD1 4.14Å; N155-Y298 HydrophobicContact CB-CG 4.05Å; N155-Y300 PolarHBondContact O-OH 2.9Å
156R97.3Very high96.4Very high83 Ų8330.2 Ų30.231%0.31317%0.171SC..  trans-93.6126.2-175.5-179.4-178.1-68.6165.9-0.1110.5G149 H153 F158G149-R156 PolarHBondContact N-O 3.3Å; H153-R156 WeakPolarHBondContact O-CB 3.46Å; H153-R156 PolarHBondContact O-N 2.75Å; R156-F158 HydrophobicContact CB-CE2 4.04Å; R156-F158 HydrophobicContact CG-CD2 4.2Å; R156-F158 HydrophobicContact CG-CE2 3.79Å; R156-F158 HydrophobicContact CG-CZ 4.35Å; R156-F158 WeakPolarHBondContact O-CD2 3.29Å
157V98.5Very high96.3Very high0 Ų035 Ų350%019%0.189CC..EExtended strand (participates in β ladder)trans-74.5140168.1-1780000109.3L120 Q123 M124 R127 F146 L147 M148L120-V157 HydrophobicContact CD2-CG2 3.59Å; Q123-V157 HydrophobicContact CB-CB 4Å; Q123-V157 HydrophobicContact CB-CG2 3.84Å; Q123-V157 HydrophobicContact CG-CG2 4.41Å; M124-V157 HydrophobicContact CG-CG1 4.22Å; R127-V157 PolarHBondContact NE-O 2.9Å; R127-V157 PolarHBondContact NH2-O 3.45Å; F146-V157 HydrophobicContact CB-CG1 4.1Å; F146-V157 HydrophobicContact CD1-CG1 3.8Å; F146-V157 HydrophobicContact CG-CG1 4.4Å; L147-V157 CarbonylContact O-C 3.49Å; M148-V157 HydrophobicContact CE-CG2 4.38Å; M148-V157 HydrophobicContact SD-CB 4.46Å; M148-V157 HydrophobicContact SD-CG2 3.76Å
158F98.6Very high96.3Very high12 Ų1233.7 Ų33.75%0.05318%0.183CC..EExtended strand (participates in β ladder)trans-118.5156.2170.1-71.5-108.5000110G73 P75 L97 F146 L147 H153 R156G73-F158 CarbonylContact O-C 3.6Å; G73-F158 WeakPolarHBondContact O-CA 3.38Å; P75-F158 HydrophobicContact CG-CD1 4.14Å; L97-F158 HydrophobicContact CD1-CB 3.67Å; L97-F158 HydrophobicContact CD1-CD1 4.45Å; L97-F158 HydrophobicContact CD1-CG 4.06Å; L97-F158 HydrophobicContact CD2-CB 4.34Å; L97-F158 HydrophobicContact CD2-CD1 3.93Å; L97-F158 HydrophobicContact CD2-CD2 3.9Å; L97-F158 HydrophobicContact CD2-CE1 4.14Å; L97-F158 HydrophobicContact CD2-CE2 4.13Å; L97-F158 HydrophobicContact CD2-CG 3.81Å; L97-F158 HydrophobicContact CD2-CZ 4.23Å; F146-F158 VanDerWaalsContact CA-O 3.28Å; F146-F158 WeakPolarHBondContact CA-O 3.33Å; L147-F158 PolarHBondContact N-O 3.38Å; L147-F158 PolarHBondContact O-N 3.21Å; H153-F158 HydrophobicContact CB-CE2 4.24Å; H153-F158 HydrophobicContact CB-CZ 4.39Å; R156-F158 HydrophobicContact CB-CE2 4.04Å; R156-F158 HydrophobicContact CG-CD2 4.2Å; R156-F158 HydrophobicContact CG-CE2 3.79Å; R156-F158 HydrophobicContact CG-CZ 4.35Å; R156-F158 WeakPolarHBondContact O-CD2 3.29Å
159I98.6Very high96.3Very high0 Ų036 Ų360%019%0.191CC..EExtended strand (participates in β ladder)trans-115.7137.4174.6-172.4167.7000110.4G73 V74 P75 R127 I128 I141 F146 F162G73-I159 PolarHBondContact O-N 3.19Å; V74-I159 HydrophobicContact CG2-CG2 4.09Å; P75-I159 WeakPolarHBondContact CD-O 3.23Å; R127-I159 HydrophobicContact CB-CB 3.99Å; R127-I159 HydrophobicContact CB-CD1 4.22Å; R127-I159 HydrophobicContact CB-CG2 3.79Å; R127-I159 HydrophobicContact CG-CB 4.22Å; R127-I159 HydrophobicContact CG-CG2 4.14Å; I128-I159 HydrophobicContact CD1-CD1 4Å; I141-I159 HydrophobicContact CD1-CD1 4.38Å; F146-I159 HydrophobicContact CD1-CB 4.21Å; F146-I159 HydrophobicContact CD1-CG1 4.37Å; F146-I159 HydrophobicContact CE1-CB 4.07Å; F146-I159 HydrophobicContact CE1-CD1 3.77Å; F146-I159 HydrophobicContact CE1-CG1 3.97Å; F146-I159 HydrophobicContact CZ-CD1 3.83Å; F146-I159 HydrophobicContact CZ-CG1 4.28Å; I159-F162 HydrophobicContact CG1-CZ 4.34Å; I159-F162 HydrophobicContact CG2-CZ 3.92Å
160V97Very high96.2Very high19 Ų1938.8 Ų38.812%0.11521%0.206CC..  trans-138.1-179.7-172.8-54.50000113P75 L97 H138 N145 L147P75-V160 HydrophobicContact CG-CG1 3.97Å; L97-V160 HydrophobicContact CD1-CG1 3.82Å; H138-V160 PolarHBondContact CE1-O 2.68Å; H138-V160 VanDerWaalsContact CE1-O 3.28Å; H138-V160 PolarHBondContact NE2-O 2.81Å; N145-V160 PolarHBondContact O-N 3.01Å; L147-V160 HydrophobicContact CD1-CG2 3.69Å
161D95.3Very high96Very high26 Ų2640.5 Ų40.514%0.13921%0.212CC..  trans59.360.4177-15631000115.2K47 Y65 H138 G163K47-D161 IonicContact NZ-OD1 3.76Å; K47-D161 PolarHBondContact NZ-OD1 3.04Å; Y65-D161 PolarHBondContact OH-N 3.03Å; H138-D161 PolarHBondContact CE1-O 3.45Å; D161-G163 PolarHBondContact O-N 3.43Å; D161-G163 VanDerWaalsContact O-N 3.09Å
162F96.5Very high96Very high0 Ų048.5 Ų48.50%023%0.226CC..G310 helixtrans-7616.1176.9-63.9-78.2000114.2E61 V64 Y65 L68 V74 V131 H138 I159 L164 A165E61-F162 HydrophobicContact CG-CB 4.1Å; V64-F162 HydrophobicContact CB-CB 4.04Å; V64-F162 HydrophobicContact CG1-CB 3.62Å; V64-F162 HydrophobicContact CG1-CD1 3.95Å; V64-F162 HydrophobicContact CG1-CD2 4.47Å; V64-F162 HydrophobicContact CG1-CG 3.76Å; Y65-F162 HydrophobicContact CD1-CD2 4.12Å; Y65-F162 HydrophobicContact CD1-CE2 4.21Å; Y65-F162 AromaticContact CE1-CD2 3.67Å; Y65-F162 HydrophobicContact CE1-CD2 3.67Å; Y65-F162 AromaticContact CE1-CE2 3.68Å; Y65-F162 HydrophobicContact CE1-CE2 3.68Å; Y65-F162 HydrophobicContact CE2-CD2 4.1Å; Y65-F162 AromaticContact CZ-CD2 3.65Å; L68-F162 HydrophobicContact CD1-CD1 3.87Å; L68-F162 HydrophobicContact CD1-CD2 4.08Å; L68-F162 HydrophobicContact CD1-CE1 3.39Å; L68-F162 HydrophobicContact CD1-CE2 3.65Å; L68-F162 HydrophobicContact CD1-CG 4.19Å; L68-F162 HydrophobicContact CD1-CZ 3.27Å; V74-F162 HydrophobicContact CG1-CE2 4.24Å; V131-F162 HydrophobicContact CG1-CE1 4.34Å; V131-F162 HydrophobicContact CG2-CE1 3.78Å; V131-F162 HydrophobicContact CG2-CZ 4.09Å; H138-F162 AromaticContact CD2-CD1 3.8Å; H138-F162 AromaticContact CD2-CE1 3.56Å; I159-F162 HydrophobicContact CG1-CZ 4.34Å; I159-F162 HydrophobicContact CG2-CZ 3.92Å; F162-L164 PolarHBondContact O-N 3.34Å; F162-A165 HydrophobicContact CB-CB 3.98Å; F162-A165 HydrophobicContact CD1-CB 4.08Å; F162-A165 VanDerWaalsContact O-CB 3.25Å; F162-A165 WeakPolarHBondContact O-CB 3.45Å; F162-A165 PolarHBondContact O-N 3.08Å; F162-A165 VanDerWaalsContact O-N 3.1Å
163G94.8Very high96.1Very high7 Ų747 Ų477%0.07222%0.215CC..G310 helixtrans-60.6-32.5178.900000113.5Q57 D161Q57-G163 VanDerWaalsContact OE1-CA 3.26Å; Q57-G163 PolarHBondContact OE1-O 2.75Å; D161-G163 PolarHBondContact O-N 3.43Å; D161-G163 VanDerWaalsContact O-N 3.09Å
164L95.9Very high96.2Very high20 Ų2048.2 Ų48.211%0.10522%0.22CC..G310 helixtrans-95.81.5175.2-63.3-177.8000114.3F29 H138 R139 D140 F162 T186F29-L164 HydrophobicContact CZ-CD2 4.34Å; H138-L164 CarbonylContact O-C 3.39Å; R139-L164 PolarHBondContact NE-O 2.93Å; R139-L164 PolarHBondContact NH2-O 2.89Å; D140-L164 HydrophobicContact CB-CB 4.48Å; D140-L164 HydrophobicContact CB-CD1 4.02Å; F162-L164 PolarHBondContact O-N 3.34Å; L164-T186 HydrophobicContact CB-CG2 4.43Å; L164-T186 HydrophobicContact CD1-CG2 4.33Å; L164-T186 HydrophobicContact CD2-CG2 4.17Å
165A97.7Very high96.3Very high4 Ų451.7 Ų51.73%0.03324%0.243CC..  trans-60.9159.418000000112.4Y60 V64 I137 H138 F162Y60-A165 HydrophobicContact CE1-CB 4.38Å; Y60-A165 VanDerWaalsContact CE1-O 3.29Å; Y60-A165 WeakPolarHBondContact CE1-O 3.48Å; Y60-A165 PolarHBondContact OH-O 3.23Å; V64-A165 HydrophobicContact CG1-CB 4.39Å; I137-A165 CarbonylContact O-C 3.49Å; I137-A165 VanDerWaalsContact O-CA 3.23Å; I137-A165 WeakPolarHBondContact O-CA 3.37Å; I137-A165 WeakPolarHBondContact O-CB 3.34Å; H138-A165 WeakPolarHBondContact O-CA 3.26Å; H138-A165 PolarHBondContact O-N 3.04Å; F162-A165 HydrophobicContact CB-CB 3.98Å; F162-A165 HydrophobicContact CD1-CB 4.08Å; F162-A165 VanDerWaalsContact O-CB 3.25Å; F162-A165 WeakPolarHBondContact O-CB 3.45Å; F162-A165 PolarHBondContact O-N 3.08Å; F162-A165 VanDerWaalsContact O-N 3.1Å
166K97.5Very high96.5Very high38 Ų3851.1 Ų51.117%0.16524%0.238CC..EExtended strand (participates in β ladder)trans-148147.1178.5178.4167.7173173.50111.4L136 I137 E201L136-K166 CarbonylContact C-O 3.54Å; L136-K166 VanDerWaalsContact CA-O 3.29Å; L136-K166 WeakPolarHBondContact CA-O 3.3Å; I137-K166 HydrophobicContact CD1-CB 4.47Å; I137-K166 HydrophobicContact CG1-CB 4.1Å; I137-K166 WeakPolarHBondContact CG1-O 3.4Å; I137-K166 PolarHBondContact N-O 3.08Å; I137-K166 PolarHBondContact O-N 3.4Å; K166-E201 IonicContact NZ-OE1 2.75Å; K166-E201 PolarHBondContact NZ-OE1 3.1Å; K166-E201 IonicContact NZ-OE2 2.71Å; K166-E201 PolarHBondContact NZ-OE2 2.92Å
167R97.7Very high96.5Very high101 Ų10148.9 Ų48.938%0.38123%0.233SC..EExtended strand (participates in β ladder)trans-75.1122.6169.3170169.1-81-160.31.1109.6G135 R169 D170G135-R167 WeakPolarHBondContact O-CA 3.2Å; R167-R169 WeakPolarHBondContact CD-O 3.36Å; R167-R169 WeakPolarHBondContact CG-O 3.46Å; R167-R169 PolarHBondContact NE-O 3.3Å; R167-D170 IonicContact NH1-OD2 3.87Å
168F98.3Very high96.5Very high0 Ų052.7 Ų52.70%026%0.257CS..  trans-99.1-11.7176.378.3-92.2000113.7H132 G135 L136 I137 H176 I177 R204H132-F168 VanDerWaalsContact O-CE1 3.26Å; H132-F168 WeakPolarHBondContact O-CE1 3.22Å; H132-F168 WeakPolarHBondContact O-CZ 3.43Å; G135-F168 VanDerWaalsContact CA-CE1 3.5Å; G135-F168 WeakPolarHBondContact O-CD1 3.43Å; G135-F168 PolarHBondContact O-N 3.01Å; G135-F168 VanDerWaalsContact O-N 3.08Å; L136-F168 WeakPolarHBondContact O-CD1 3.27Å; L136-F168 WeakPolarHBondContact O-CE1 3.49Å; I137-F168 HydrophobicContact CD1-CB 4.39Å; I137-F168 HydrophobicContact CG1-CB 4.36Å; I137-F168 HydrophobicContact CG2-CB 4.15Å; I137-F168 HydrophobicContact CG2-CD1 3.78Å; I137-F168 HydrophobicContact CG2-CG 4.18Å; F168-H176 AromaticContact CD2-CD2 3.56Å; F168-H176 AromaticContact CD2-NE2 3.47Å; F168-H176 WeakPolarHBondContact CD2-NE2 3.42Å; F168-H176 CarbonylContact O-C 3.58Å; F168-H176 WeakPolarHBondContact O-CA 3.32Å; F168-I177 HydrophobicContact CB-CD1 4.44Å; F168-I177 HydrophobicContact CB-CG1 4.48Å; F168-I177 WeakPolarHBondContact O-CG1 3.47Å; F168-I177 PolarHBondContact O-N 2.85Å; F168-R204 HydrophobicContact CD1-CG 4.25Å; F168-R204 HydrophobicContact CD2-CG 4.34Å; F168-R204 HydrophobicContact CE1-CG 3.95Å; F168-R204 HydrophobicContact CE2-CG 4.08Å; F168-R204 HydrophobicContact CG-CG 4.44Å; F168-R204 VanDerWaalsContact CZ-CD 3.41Å; F168-R204 HydrophobicContact CZ-CG 3.87Å
169R97Very high96.4Very high48 Ų4857.7 Ų57.718%0.18128%0.277CS..BIsolated β-bridgetrans-148.5154176.363.5174.4174.8-1761.3112.8Y133 R167 C175Y133-R169 PolarHBondContact O-NH2 2.9Å; R167-R169 WeakPolarHBondContact CD-O 3.36Å; R167-R169 WeakPolarHBondContact CG-O 3.46Å; R167-R169 PolarHBondContact NE-O 3.3Å; R169-C175 CarbonylContact C-O 3.54Å; R169-C175 WeakPolarHBondContact CA-O 3.44Å; R169-C175 VanDerWaalsContact CB-O 3.27Å; R169-C175 WeakPolarHBondContact CB-O 3.39Å
170D95.6Very high96.4Very high59 Ų5964.5 Ų64.532%0.31630%0.302SS..  trans-62.8152170.3-179.9-118.5000112R167 R172 T173 K174 C175R167-D170 IonicContact NH1-OD2 3.87Å; D170-R172 WeakPolarHBondContact OD1-CA 3.47Å; D170-R172 WeakPolarHBondContact OD1-CB 3.31Å; D170-R172 PolarHBondContact OD1-N 3.04Å; D170-T173 PolarHBondContact OD1-N 2.71Å; D170-T173 PolarHBondContact OD1-OG1 3.02Å; D170-K174 VanDerWaalsContact O-CA 3.32Å; D170-K174 WeakPolarHBondContact O-CA 3.24Å; D170-K174 PolarHBondContact O-N 2.97Å; D170-C175 PolarHBondContact N-O 2.94Å
171H90.1Very high96.3Very high118 Ų11868 Ų6855%0.54632%0.32SS..SBendtrans-74.1-36178.4-164.672.7000113.2K174H171-K174 WeakPolarHBondContact O-CE 2.85Å; H171-K174 PolarHBondContact O-NZ 3.39Å
172R92.9Very high96.1Very high218 Ų21874 Ų7482%0.82335%0.352SS*.SBendtrans-92.1-56.5-172.3-177.917562.8-1771.3110.9D170 K174D170-R172 WeakPolarHBondContact OD1-CA 3.47Å; D170-R172 WeakPolarHBondContact OD1-CB 3.31Å; D170-R172 PolarHBondContact OD1-N 3.04Å; R172-K174 VanDerWaalsContact C-N 3.33Å
173T96.1Very high96Very high89 Ų8977.9 Ų77.955%0.54637%0.369SS..SBendtrans-80-15.2-177.8680000113.4D170 C175D170-T173 PolarHBondContact OD1-N 2.71Å; D170-T173 PolarHBondContact OD1-OG1 3.02Å; T173-C175 PolarHBondContact O-N 2.85Å; T173-C175 VanDerWaalsContact OG1-CB 3.31Å; T173-C175 WeakPolarHBondContact OG1-CB 3.26Å; T173-C175 PolarHBondContact OG1-N 2.83Å
174K94.8Very high95.9Very high109 Ų10982.8 Ų82.847%0.47439%0.394SS..  trans58.64.9-170.3-46.2-56-177.2-170.80115D170 H171 R172 H176D170-K174 VanDerWaalsContact O-CA 3.32Å; D170-K174 WeakPolarHBondContact O-CA 3.24Å; D170-K174 PolarHBondContact O-N 2.97Å; H171-K174 WeakPolarHBondContact O-CE 2.85Å; H171-K174 PolarHBondContact O-NZ 3.39Å; R172-K174 VanDerWaalsContact C-N 3.33Å; K174-H176 PolarHBondContact O-N 3.13Å
175C97.1Very high95.8Very high85 Ų8583.4 Ų83.457%0.57440%0.397SS*.PPolyproline II helixtrans-57.8135178.4-173.50000110.6R169 D170 T173R169-C175 CarbonylContact C-O 3.54Å; R169-C175 WeakPolarHBondContact CA-O 3.44Å; R169-C175 VanDerWaalsContact CB-O 3.27Å; R169-C175 WeakPolarHBondContact CB-O 3.39Å; D170-C175 PolarHBondContact N-O 2.94Å; T173-C175 PolarHBondContact O-N 2.85Å; T173-C175 VanDerWaalsContact OG1-CB 3.31Å; T173-C175 WeakPolarHBondContact OG1-CB 3.26Å; T173-C175 PolarHBondContact OG1-N 2.83Å
176H98.6Very high95.6Very high37 Ų3784.1 Ų84.117%0.17140%0.401CS..BIsolated β-bridgetrans-70.8156.8-179.1-152.3-99.2000111.4F168 K174 R204 F272 D273F168-H176 AromaticContact CD2-CD2 3.56Å; F168-H176 AromaticContact CD2-NE2 3.47Å; F168-H176 WeakPolarHBondContact CD2-NE2 3.42Å; F168-H176 CarbonylContact O-C 3.58Å; F168-H176 WeakPolarHBondContact O-CA 3.32Å; K174-H176 PolarHBondContact O-N 3.13Å; H176-R204 PolarHBondContact CD2-NH2 3.28Å; H176-R204 PolarHBondContact NE2-NH2 2.86Å; H176-F272 AromaticContact CE1-CE1 3.65Å; H176-F272 AromaticContact CE1-CZ 3.78Å; H176-F272 PolarHBondContact CE1-O 3.29Å; H176-F272 AromaticContact ND1-CE1 3.45Å; H176-F272 WeakPolarHBondContact ND1-CE1 3.42Å; H176-F272 AromaticContact ND1-CZ 3.88Å; H176-D273 HydrophobicContact CB-CB 4.3Å
177I98.2Very high95.4Very high37 Ų3782.7 Ų82.719%0.1940%0.397CS..PPolyproline II helixtrans-61.714516256.9173000109.4F168 E201 F272F168-I177 HydrophobicContact CB-CD1 4.44Å; F168-I177 HydrophobicContact CB-CG1 4.48Å; F168-I177 WeakPolarHBondContact O-CG1 3.47Å; F168-I177 PolarHBondContact O-N 2.85Å; I177-E201 HydrophobicContact CD1-CG 3.86Å; I177-F272 HydrophobicContact CD1-CZ 4.42Å; I177-F272 HydrophobicContact CG1-CZ 4.08Å; I177-F272 VanDerWaalsContact O-CE1 3.32Å; I177-F272 WeakPolarHBondContact O-CE1 3.38Å
178P97.6Very high95.3Very high79 Ų7978.7 Ų78.751%0.51338%0.384SS..PPolyproline II helixtrans-63.8152.1175.928.1-35.8000111
179Y98.1Very high95.2Very high118 Ų11879 Ų7946%0.46339%0.386SS..PPolyproline II helixtrans-60.3139.6168.6-179.4-87.2000110I200 F272Y179-I200 HydrophobicContact CD2-CG2 4.39Å; Y179-I200 HydrophobicContact CE2-CG2 3.54Å; Y179-F272 VanDerWaalsContact CA-CE1 3.47Å; Y179-F272 HydrophobicContact CD2-CB 4.18Å; Y179-F272 HydrophobicContact CD2-CD1 4.1Å; Y179-F272 HydrophobicContact CD2-CD2 4.23Å; Y179-F272 AromaticContact CD2-CG 3.91Å; Y179-F272 HydrophobicContact CD2-CG 3.91Å
180R97.3Very high95.3Very high142 Ų14277.7 Ų77.754%0.53638%0.381SS..  trans-149.8145.1174.9-62.4-176.7178.1178.5-2.9110K183 E201R180-K183 HydrophobicContact CB-CD 4.33Å; R180-E201 HydrophobicContact CB-CB 4.09Å; R180-E201 VanDerWaalsContact O-CB 3.27Å; R180-E201 WeakPolarHBondContact O-CB 3.49Å; R180-E201 PolarHBondContact O-N 3.28Å
181D94.8Very high95.5Very high93 Ų9375.1 Ų75.150%0.49737%0.367SS..  trans-106.1-167.8167.526.137.1000109.4K183 G199D181-K183 VanDerWaalsContact C-N 3.29Å; D181-K183 VanDerWaalsContact O-CD 3.29Å; D181-K183 WeakPolarHBondContact O-CD 3.31Å; D181-K183 PolarHBondContact O-N 3.36Å; D181-G199 CarbonylContact C-O 3.51Å; D181-G199 WeakPolarHBondContact CA-O 3.44Å
182D92.5Very high95.9Very high151 Ų15169.8 Ų69.881%0.80734%0.344SS*.  trans5144.3-176-65.2-22000113.6G199D182-G199 PolarHBondContact N-O 3.16Å
183K94Very high96.1Very high82 Ų8259.5 Ų59.536%0.35731%0.305SS..  trans-96.1136.5168.7-50-35.6-47.5131.70110.4R180 D181 G199 E201R180-K183 HydrophobicContact CB-CD 4.33Å; D181-K183 VanDerWaalsContact C-N 3.29Å; D181-K183 VanDerWaalsContact O-CD 3.29Å; D181-K183 WeakPolarHBondContact O-CD 3.31Å; D181-K183 PolarHBondContact O-N 3.36Å; K183-G199 WeakPolarHBondContact CA-O 3.39Å; K183-G199 VanDerWaalsContact CB-O 3.28Å; K183-G199 WeakPolarHBondContact CB-O 3.2Å; K183-G199 WeakPolarHBondContact CG-O 3.38Å; K183-G199 PolarHBondContact N-O 2.76Å; K183-G199 WeakPolarHBondContact O-CA 3.31Å; K183-E201 HydrophobicContact CD-CB 4.39Å; K183-E201 HydrophobicContact CG-CB 4Å
184N92.3Very high96.2Very high111 Ų11156.4 Ų56.459%0.59429%0.285SS*.  trans-68.1139.5163.1-71.6-37.9000109.8T186N184-T186 PolarHBondContact O-N 3.3Å; N184-T186 PolarHBondContact O-OG1 3.1Å
185L93.1Very high96.4Very high33 Ų3352.5 Ų52.517%0.17327%0.269CS..  trans-54.6111.7175.317561.6000110.4A189 A192 A196 Y237L185-A189 HydrophobicContact CD2-CB 3.74Å; L185-A192 HydrophobicContact CD1-CB 3.82Å; L185-A196 HydrophobicContact CD1-CB 3.95Å; L185-A196 WeakPolarHBondContact CD1-O 3.23Å; L185-Y237 HydrophobicContact CD2-CD2 3.73Å; L185-Y237 HydrophobicContact CD2-CE2 3.95Å; L185-Y237 HydrophobicContact CD2-CG 4.01Å
186T93.1Very high96.5Very high19 Ų1948.6 Ų48.612%0.11724%0.243CC..  trans-101.1135.3175.2-55.50000109.3L164 N184 Q202L164-T186 HydrophobicContact CB-CG2 4.43Å; L164-T186 HydrophobicContact CD1-CG2 4.33Å; L164-T186 HydrophobicContact CD2-CG2 4.17Å; N184-T186 PolarHBondContact O-N 3.3Å; N184-T186 PolarHBondContact O-OG1 3.1Å; T186-Q202 PolarHBondContact O-NE2 3.3Å
187G93.6Very high96.4Very high7 Ų748 Ų487%0.07224%0.24CC..SBendtrans93.9-175-179.500000114.3R139 D140 A189R139-G187 WeakPolarHBondContact O-CA 3.18Å; D140-G187 WeakPolarHBondContact OD1-CA 3.36Å; G187-A189 PolarHBondContact O-N 3.31Å
188T96.1Very high96.4Very high18 Ų1848.2 Ų48.211%0.1125%0.247CC..  trans-79.7102.4-172.2-59.70000111.4D140 K142 R190 Y191 A192D140-T188 WeakPolarHBondContact OD1-CB 3.43Å; D140-T188 PolarHBondContact OD1-N 3.42Å; D140-T188 PolarHBondContact OD1-OG1 2.94Å; K142-T188 WeakPolarHBondContact CD-OG1 3.18Å; T188-R190 HydrophobicContact CG2-CB 4.25Å; T188-R190 PolarHBondContact O-N 2.9Å; T188-Y191 HydrophobicContact CG2-CD2 3.73Å; T188-Y191 HydrophobicContact CG2-CE2 4.07Å; T188-Y191 PolarHBondContact O-N 3.02Å; T188-A192 PolarHBondContact O-N 3.08Å
189A97.3Very high96.3Very high6 Ų645 Ų455%0.0523%0.228CC..THydrogen-bonded Turntrans-45.9-33.3-176.300000115.9L185 G187 Y191 H197 Y237 I240 K244L185-A189 HydrophobicContact CD2-CB 3.74Å; G187-A189 PolarHBondContact O-N 3.31Å; A189-Y191 VanDerWaalsContact C-N 3.29Å; A189-Y191 PolarHBondContact O-N 3.19Å; A189-H197 PolarHBondContact O-NE2 3.34Å; A189-Y237 HydrophobicContact CB-CD1 3.58Å; A189-Y237 HydrophobicContact CB-CE1 3.38Å; A189-Y237 HydrophobicContact CB-CG 4.33Å; A189-I240 HydrophobicContact CB-CD1 4.42Å; A189-K244 PolarHBondContact O-NZ 2.94Å
190R98.3Very high96.4Very high21 Ų2140.6 Ų40.68%0.07921%0.212CC..THydrogen-bonded Turntrans-56-42.6175-165.8-165-65.5-178.2-3111.5T188 Y217 L223 W225 Q226 K244 N326T188-R190 HydrophobicContact CG2-CB 4.25Å; T188-R190 PolarHBondContact O-N 2.9Å; R190-Y217 PolarHBondContact NH1-OH 2.91Å; R190-Y217 VanDerWaalsContact NH1-OH 3.17Å; R190-L223 HydrophobicContact CG-CD1 4.35Å; R190-W225 PolarHBondContact O-NE1 2.81Å; R190-Q226 HydrophobicContact CG-CG 4.01Å; R190-K244 WeakPolarHBondContact O-CE 3.38Å; R190-K244 PolarHBondContact O-NZ 3.18Å; R190-N326 PolarHBondContact NH2-OD1 2.75Å
191Y98.7Very high96.4Very high4 Ų434.4 Ų34.42%0.01619%0.189CC..THydrogen-bonded Turntrans-105.5-20.8-175.1-49.5-66.9000113.8I141 K142 P143 T188 A189 S210 Y213 V214 Y217 L223I141-Y191 WeakPolarHBondContact O-CB 3.44Å; K142-Y191 HydrophobicContact CB-CD2 3.39Å; K142-Y191 HydrophobicContact CB-CE2 3.54Å; K142-Y191 HydrophobicContact CB-CG 4.36Å; P143-Y191 VanDerWaalsContact CD-CE2 3.49Å; P143-Y191 WeakPolarHBondContact CD-OH 3.33Å; P143-Y191 HydrophobicContact CG-CE1 4.39Å; T188-Y191 HydrophobicContact CG2-CD2 3.73Å; T188-Y191 HydrophobicContact CG2-CE2 4.07Å; T188-Y191 PolarHBondContact O-N 3.02Å; A189-Y191 VanDerWaalsContact C-N 3.29Å; A189-Y191 PolarHBondContact O-N 3.19Å; Y191-S210 VanDerWaalsContact O-CA 3.23Å; Y191-S210 WeakPolarHBondContact O-CA 3.26Å; Y191-S210 VanDerWaalsContact O-CB 3.24Å; Y191-S210 WeakPolarHBondContact O-CB 3.13Å; Y191-S210 PolarHBondContact O-OG 3.26Å; Y191-Y213 WeakPolarHBondContact O-CD2 3.43Å; Y191-V214 HydrophobicContact CD1-CG2 3.74Å; Y191-V214 HydrophobicContact CE1-CG2 4.22Å; Y191-V214 HydrophobicContact CG-CG2 4.05Å; Y191-Y217 HydrophobicContact CE1-CD1 4.21Å; Y191-Y217 HydrophobicContact CE1-CD2 4.27Å; Y191-Y217 HydrophobicContact CE1-CG 4.02Å; Y191-Y217 WeakPolarHBondContact OH-CE1 3.29Å; Y191-L223 HydrophobicContact CD1-CD1 4.14Å; Y191-L223 HydrophobicContact CE1-CD1 4.21Å
192A98.5Very high96.6Very high7 Ų730.5 Ų30.56%0.05817%0.168CC..SBendtrans-55.5149.2-179.400000114.3L185 T188 A196 K244L185-A192 HydrophobicContact CD1-CB 3.82Å; T188-A192 PolarHBondContact O-N 3.08Å; A192-A196 HydrophobicContact CB-CB 4.19Å; A192-K244 PolarHBondContact O-NZ 3.46Å
193S98.7Very high96.9Very high1 Ų123.3 Ų23.31%0.00713%0.13CC..  trans-63.1163.3-179.670.60000114.1N195 A196 H197 D206 E209 S210S193-N195 VanDerWaalsContact C-N 3.3Å; S193-N195 PolarHBondContact O-N 3.32Å; S193-A196 PolarHBondContact O-N 2.59Å; S193-A196 VanDerWaalsContact OG-CB 3.31Å; S193-A196 WeakPolarHBondContact OG-CB 3.42Å; S193-A196 PolarHBondContact OG-N 2.66Å; S193-H197 PolarHBondContact O-CD2 2.65Å; S193-H197 PolarHBondContact O-N 3.45Å; S193-D206 VanDerWaalsContact CB-OD1 3.25Å; S193-D206 WeakPolarHBondContact CB-OD1 3.47Å; S193-D206 WeakPolarHBondContact OG-CB 3.43Å; S193-D206 PolarHBondContact OG-OD1 3.41Å; S193-E209 WeakPolarHBondContact CA-OE1 3.34Å; S193-E209 WeakPolarHBondContact CB-OE2 3.43Å; S193-S210 PolarHBondContact N-OG 3.3Å
194I98.5Very high97.1Very high24 Ų2420 Ų2012%0.12312%0.115CC..Hα-helixtrans-59-42.1171.2-74176.8000110.8A196 H197 A198 E209 Y241 K244 L245I194-A196 VanDerWaalsContact C-N 3.35Å; I194-A196 PolarHBondContact O-N 2.95Å; I194-H197 PolarHBondContact O-N 3.17Å; I194-A198 WeakPolarHBondContact O-CB 3.34Å; I194-A198 PolarHBondContact O-N 3.31Å; I194-E209 PolarHBondContact N-OE1 2.95Å; I194-Y241 HydrophobicContact CG2-CE2 4.01Å; I194-Y241 WeakPolarHBondContact O-CE2 3.14Å; I194-K244 HydrophobicContact CD1-CB 4.43Å; I194-K244 HydrophobicContact CG1-CB 4.07Å; I194-L245 HydrophobicContact CD1-CD2 4.46Å; I194-L245 HydrophobicContact CG2-CD2 3.74Å
195N98.3Very high97.4Very high28 Ų2816.1 Ų16.115%0.159%0.092CC..Hα-helixtrans-63.2-39.8177.8-49.7-67.6000112.2S193 H197 A198 G199 I200 R205 D206S193-N195 VanDerWaalsContact C-N 3.3Å; S193-N195 PolarHBondContact O-N 3.32Å; N195-H197 VanDerWaalsContact C-N 3.3Å; N195-H197 PolarHBondContact O-N 2.77Å; N195-A198 CarbonylContact O-C 3.55Å; N195-A198 WeakPolarHBondContact O-CB 3.35Å; N195-A198 PolarHBondContact O-N 3.48Å; N195-A198 VanDerWaalsContact O-N 3.15Å; N195-G199 PolarHBondContact O-N 3.12Å; N195-I200 HydrophobicContact CB-CB 4.05Å; N195-I200 HydrophobicContact CB-CD1 4.18Å; N195-I200 HydrophobicContact CB-CG2 4.44Å; N195-I200 WeakPolarHBondContact O-CB 3.33Å; N195-I200 PolarHBondContact O-N 2.94Å; N195-R205 PolarHBondContact OD1-NH2 2.71Å; N195-D206 WeakPolarHBondContact CB-OD1 3.29Å; N195-D206 PolarHBondContact ND2-OD1 3.24Å
196A98Very high97.7Very high2 Ų214.6 Ų14.62%0.0178%0.084CC..Hα-helixtrans-64.9-33.3178.800000112.7L185 A192 S193 I194 Q202L185-A196 HydrophobicContact CD1-CB 3.95Å; L185-A196 WeakPolarHBondContact CD1-O 3.23Å; A192-A196 HydrophobicContact CB-CB 4.19Å; S193-A196 PolarHBondContact O-N 2.59Å; S193-A196 VanDerWaalsContact OG-CB 3.31Å; S193-A196 WeakPolarHBondContact OG-CB 3.42Å; S193-A196 PolarHBondContact OG-N 2.66Å; I194-A196 VanDerWaalsContact C-N 3.35Å; I194-A196 PolarHBondContact O-N 2.95Å; A196-Q202 HydrophobicContact CB-CG 3.85Å
197H97.7Very high98Very high26 Ų2613.7 Ų13.712%0.128%0.079CC..Hα-helixtrans-74.3-35.1171.1-85.7-88.9000112.5A189 S193 I194 N195 G199 Y241A189-H197 PolarHBondContact O-NE2 3.34Å; S193-H197 PolarHBondContact O-CD2 2.65Å; S193-H197 PolarHBondContact O-N 3.45Å; I194-H197 PolarHBondContact O-N 3.17Å; N195-H197 VanDerWaalsContact C-N 3.3Å; N195-H197 PolarHBondContact O-N 2.77Å; H197-G199 PolarHBondContact O-N 3.36Å; H197-G199 VanDerWaalsContact O-N 3.1Å; H197-Y241 HydrophobicContact CB-CD2 3.3Å; H197-Y241 HydrophobicContact CB-CE2 3.95Å; H197-Y241 HydrophobicContact CB-CG 3.69Å
198A97.3Very high98.2Very high41 Ų4113.4 Ų13.434%0.3398%0.075SC..THydrogen-bonded Turntrans-68.61.9173.400000114.2I194 N195 I200 Y241I194-A198 WeakPolarHBondContact O-CB 3.34Å; I194-A198 PolarHBondContact O-N 3.31Å; N195-A198 CarbonylContact O-C 3.55Å; N195-A198 WeakPolarHBondContact O-CB 3.35Å; N195-A198 PolarHBondContact O-N 3.48Å; N195-A198 VanDerWaalsContact O-N 3.15Å; A198-I200 VanDerWaalsContact C-N 3.28Å; A198-I200 HydrophobicContact CB-CD1 4.14Å; A198-I200 HydrophobicContact CB-CG1 4.18Å; A198-I200 PolarHBondContact O-N 2.78Å; A198-Y241 HydrophobicContact CB-CE2 4.12Å; A198-Y241 VanDerWaalsContact CB-OH 3.29Å; A198-Y241 WeakPolarHBondContact CB-OH 3.5Å
199G97.2Very high98.3Very high10 Ų1012.7 Ų12.710%0.1037%0.071CC..THydrogen-bonded Turntrans7316.3-178.100000114.6D181 D182 K183 N195 H197D181-G199 CarbonylContact C-O 3.51Å; D181-G199 WeakPolarHBondContact CA-O 3.44Å; D182-G199 PolarHBondContact N-O 3.16Å; K183-G199 WeakPolarHBondContact CA-O 3.39Å; K183-G199 VanDerWaalsContact CB-O 3.28Å; K183-G199 WeakPolarHBondContact CB-O 3.2Å; K183-G199 WeakPolarHBondContact CG-O 3.38Å; K183-G199 PolarHBondContact N-O 2.76Å; K183-G199 WeakPolarHBondContact O-CA 3.31Å; N195-G199 PolarHBondContact O-N 3.12Å; H197-G199 PolarHBondContact O-N 3.36Å; H197-G199 VanDerWaalsContact O-N 3.1Å
200I98.2Very high98.4Very high27 Ų2712.6 Ų12.614%0.1387%0.07CC..PPolyproline II helixtrans-81.9142.1175.9-57.2171.4000109.2Y179 N195 A198 Q202Y179-I200 HydrophobicContact CD2-CG2 4.39Å; Y179-I200 HydrophobicContact CE2-CG2 3.54Å; N195-I200 HydrophobicContact CB-CB 4.05Å; N195-I200 HydrophobicContact CB-CD1 4.18Å; N195-I200 HydrophobicContact CB-CG2 4.44Å; N195-I200 WeakPolarHBondContact O-CB 3.33Å; N195-I200 PolarHBondContact O-N 2.94Å; A198-I200 VanDerWaalsContact C-N 3.28Å; A198-I200 HydrophobicContact CB-CD1 4.14Å; A198-I200 HydrophobicContact CB-CG1 4.18Å; A198-I200 PolarHBondContact O-N 2.78Å; I200-Q202 PolarHBondContact O-N 2.87Å
201E98.2Very high98.4Very high11 Ų1111.6 Ų11.65%0.0517%0.066CC..PPolyproline II helixtrans-57.9130.8173.6-175.173.6-98.200110.6K166 I177 R180 K183 F272K166-E201 IonicContact NZ-OE1 2.75Å; K166-E201 PolarHBondContact NZ-OE1 3.1Å; K166-E201 IonicContact NZ-OE2 2.71Å; K166-E201 PolarHBondContact NZ-OE2 2.92Å; I177-E201 HydrophobicContact CD1-CG 3.86Å; R180-E201 HydrophobicContact CB-CB 4.09Å; R180-E201 VanDerWaalsContact O-CB 3.27Å; R180-E201 WeakPolarHBondContact O-CB 3.49Å; R180-E201 PolarHBondContact O-N 3.28Å; K183-E201 HydrophobicContact CD-CB 4.39Å; K183-E201 HydrophobicContact CG-CB 4Å; E201-F272 HydrophobicContact CB-CE2 4.35Å; E201-F272 HydrophobicContact CG-CE2 4.48Å; E201-F272 VanDerWaalsContact O-CE2 3.28Å; E201-F272 WeakPolarHBondContact O-CE2 3.17Å
202Q98.7Very high98.5Very high11 Ų1111.5 Ų11.55%0.0517%0.067CC..PPolyproline II helixtrans-77.4145.9-175.1-66.3178.132.200111.3I137 R139 T186 A196 I200 D206I137-Q202 HydrophobicContact CD1-CB 4.14Å; I137-Q202 WeakPolarHBondContact CD1-O 3.45Å; R139-Q202 HydrophobicContact CG-CB 4.23Å; R139-Q202 VanDerWaalsContact CG-OE1 3.26Å; T186-Q202 PolarHBondContact O-NE2 3.3Å; A196-Q202 HydrophobicContact CB-CG 3.85Å; I200-Q202 PolarHBondContact O-N 2.87Å; Q202-D206 HydrophobicContact CB-CB 4.12Å; Q202-D206 HydrophobicContact CG-CB 4.2Å
203S98.7Very high98.5Very high1 Ų111.2 Ų11.21%0.0076%0.064CC..  trans-134-168.9170.593.60000111.5R205 D206 F272S203-R205 PolarHBondContact O-N 3.3Å; S203-R205 VanDerWaalsContact O-N 3.13Å; S203-D206 PolarHBondContact N-OD2 3.06Å; S203-D206 WeakPolarHBondContact O-CB 3.49Å; S203-D206 PolarHBondContact O-N 3.19Å; S203-F272 WeakPolarHBondContact CB-O 3.35Å; S203-F272 PolarHBondContact OG-O 3.02Å
204R98.8Very high98.5Very high13 Ų1311.1 Ų11.15%0.0496%0.063CC..Hα-helixtrans-55.6-28.2-179.9-69.5165.7-82.4165.62.3113.5H132 I137 F168 H176 D206 I208 D273 S274 L275 P276H132-R204 HydrophobicContact CB-CG 4.13Å; H132-R204 VanDerWaalsContact CE1-CA 3.49Å; H132-R204 WeakPolarHBondContact CE1-CA 3.29Å; H132-R204 PolarHBondContact CE1-O 3.01Å; H132-R204 VanDerWaalsContact CE1-O 3.25Å; I137-R204 HydrophobicContact CG2-CG 4.14Å; F168-R204 HydrophobicContact CD1-CG 4.25Å; F168-R204 HydrophobicContact CD2-CG 4.34Å; F168-R204 HydrophobicContact CE1-CG 3.95Å; F168-R204 HydrophobicContact CE2-CG 4.08Å; F168-R204 HydrophobicContact CG-CG 4.44Å; F168-R204 VanDerWaalsContact CZ-CD 3.41Å; F168-R204 HydrophobicContact CZ-CG 3.87Å; H176-R204 PolarHBondContact CD2-NH2 3.28Å; H176-R204 PolarHBondContact NE2-NH2 2.86Å; R204-D206 VanDerWaalsContact C-N 3.28Å; R204-D206 PolarHBondContact O-N 3.28Å; R204-I208 VanDerWaalsContact O-CG1 3.3Å; R204-I208 WeakPolarHBondContact O-CG1 3.46Å; R204-I208 PolarHBondContact O-N 3.22Å; R204-D273 VanDerWaalsContact NH2-C 3.26Å; R204-D273 PolarHBondContact NH2-O 3.3Å; R204-S274 PolarHBondContact NE-O 3.07Å; R204-S274 PolarHBondContact NH1-O 2.96Å; R204-S274 VanDerWaalsContact NH1-O 3.1Å; R204-S274 PolarHBondContact NH2-O 3.18Å; R204-L275 VanDerWaalsContact NH1-CA 3.32Å; R204-P276 HydrophobicContact CB-CG 3.96Å
205R98.7Very high98.5Very high29 Ų2910 Ų1011%0.1096%0.058CC..Hα-helixtrans-67.9-30.6177.869.5-174.2-179.11635.2112.4N195 S203 I208 E209 L270N195-R205 PolarHBondContact OD1-NH2 2.71Å; S203-R205 PolarHBondContact O-N 3.3Å; S203-R205 VanDerWaalsContact O-N 3.13Å; R205-I208 PolarHBondContact O-N 2.8Å; R205-E209 PolarHBondContact O-N 3.37Å; R205-L270 HydrophobicContact CB-CB 3.65Å; R205-L270 HydrophobicContact CB-CD1 3.82Å; R205-L270 HydrophobicContact CB-CG 4.4Å; R205-L270 WeakPolarHBondContact CD-O 3.36Å; R205-L270 PolarHBondContact NH1-O 2.75Å
206D98.9Very high98.5Very high0 Ų08.7 Ų8.70%05%0.051CC..Hα-helixtrans-78.9-36.2-172.7-59.3-73.6000111.9S193 N195 Q202 S203 R204 I208 S210S193-D206 VanDerWaalsContact CB-OD1 3.25Å; S193-D206 WeakPolarHBondContact CB-OD1 3.47Å; S193-D206 WeakPolarHBondContact OG-CB 3.43Å; S193-D206 PolarHBondContact OG-OD1 3.41Å; N195-D206 WeakPolarHBondContact CB-OD1 3.29Å; N195-D206 PolarHBondContact ND2-OD1 3.24Å; Q202-D206 HydrophobicContact CB-CB 4.12Å; Q202-D206 HydrophobicContact CG-CB 4.2Å; S203-D206 PolarHBondContact N-OD2 3.06Å; S203-D206 WeakPolarHBondContact O-CB 3.49Å; S203-D206 PolarHBondContact O-N 3.19Å; R204-D206 VanDerWaalsContact C-N 3.28Å; R204-D206 PolarHBondContact O-N 3.28Å; D206-I208 VanDerWaalsContact C-N 3.29Å; D206-I208 PolarHBondContact O-N 2.95Å; D206-S210 VanDerWaalsContact O-CB 3.25Å; D206-S210 WeakPolarHBondContact O-CB 3.42Å; D206-S210 PolarHBondContact O-N 2.61Å; D206-S210 PolarHBondContact O-OG 2.83Å
207D98.9Very high98.6Very high1 Ų18.6 Ų8.61%0.0055%0.05CC..Hα-helixtrans-63.6-35.3168-77.4-26.4000111.4I128 H132 I137 H138 R139 I141 L211I128-D207 HydrophobicContact CG2-CB 4.34Å; H132-D207 IonicContact NE2-OD2 3.43Å; H132-D207 PolarHBondContact NE2-OD2 2.96Å; I137-D207 WeakPolarHBondContact CA-OD2 3.11Å; I137-D207 WeakPolarHBondContact CB-OD2 3.39Å; H138-D207 PolarHBondContact N-OD2 3.11Å; R139-D207 PolarHBondContact N-OD1 3.23Å; I141-D207 HydrophobicContact CG1-CB 3.99Å; I141-D207 WeakPolarHBondContact CG1-OD1 3.12Å; D207-L211 WeakPolarHBondContact O-CB 3.28Å; D207-L211 PolarHBondContact O-N 3.17Å
208I98.9Very high98.6Very high0 Ų07.4 Ų7.40%04%0.044CC..Hα-helixtrans-71.4-47.9176.6-67.3-69000111.5L125 I128 R204 R205 D206 S210 L211 G212 Y263 A267 P276 Y278 L281L125-I208 HydrophobicContact CD2-CD1 3.91Å; I128-I208 HydrophobicContact CG2-CD1 3.86Å; I128-I208 HydrophobicContact CG2-CG1 4.43Å; R204-I208 VanDerWaalsContact O-CG1 3.3Å; R204-I208 WeakPolarHBondContact O-CG1 3.46Å; R204-I208 PolarHBondContact O-N 3.22Å; R205-I208 PolarHBondContact O-N 2.8Å; D206-I208 VanDerWaalsContact C-N 3.29Å; D206-I208 PolarHBondContact O-N 2.95Å; I208-S210 VanDerWaalsContact C-N 3.29Å; I208-S210 PolarHBondContact O-N 3.22Å; I208-L211 PolarHBondContact O-N 2.84Å; I208-G212 PolarHBondContact O-N 3.1Å; I208-Y263 HydrophobicContact CG2-CE1 4.22Å; I208-Y263 WeakPolarHBondContact O-CE1 3.48Å; I208-Y263 PolarHBondContact O-OH 3.42Å; I208-A267 HydrophobicContact CG2-CB 3.81Å; I208-P276 HydrophobicContact CG1-CB 4.27Å; I208-P276 HydrophobicContact CG1-CG 4.12Å; I208-Y278 HydrophobicContact CD1-CD1 4.27Å; I208-Y278 HydrophobicContact CD1-CE1 4.05Å; I208-L281 HydrophobicContact CD1-CD1 4.23Å; I208-L281 HydrophobicContact CG2-CD1 4.02Å
209E98.9Very high98.7Very high3 Ų35.7 Ų5.71%0.0143%0.03CC..Hα-helixtrans-59.2-42.7175.4-164.3-166.7129.900111S193 I194 R205 L211 G212 Y213 A267 R268S193-E209 WeakPolarHBondContact CA-OE1 3.34Å; S193-E209 WeakPolarHBondContact CB-OE2 3.43Å; I194-E209 PolarHBondContact N-OE1 2.95Å; R205-E209 PolarHBondContact O-N 3.37Å; E209-L211 VanDerWaalsContact C-N 3.34Å; E209-L211 PolarHBondContact O-N 2.8Å; E209-G212 PolarHBondContact O-N 3.02Å; E209-Y213 HydrophobicContact CG-CE2 3.75Å; E209-Y213 WeakPolarHBondContact O-CD2 3.43Å; E209-Y213 PolarHBondContact O-N 2.76Å; E209-Y213 WeakPolarHBondContact OE1-CE2 3.48Å; E209-Y213 VanDerWaalsContact OE1-CZ 3.26Å; E209-Y213 PolarHBondContact OE1-OH 2.76Å; E209-A267 HydrophobicContact CB-CB 4.09Å; E209-A267 HydrophobicContact CG-CB 4.41Å; E209-R268 HydrophobicContact CG-CG 4.28Å
210S98.9Very high98.7Very high5 Ų57.4 Ų7.44%0.0353%0.033CC..Hα-helixtrans-61.8-40.3176.7-560000112.3Y191 S193 D206 I208 G212 Y213 V214Y191-S210 VanDerWaalsContact O-CA 3.23Å; Y191-S210 WeakPolarHBondContact O-CA 3.26Å; Y191-S210 VanDerWaalsContact O-CB 3.24Å; Y191-S210 WeakPolarHBondContact O-CB 3.13Å; Y191-S210 PolarHBondContact O-OG 3.26Å; S193-S210 PolarHBondContact N-OG 3.3Å; D206-S210 VanDerWaalsContact O-CB 3.25Å; D206-S210 WeakPolarHBondContact O-CB 3.42Å; D206-S210 PolarHBondContact O-N 2.61Å; D206-S210 PolarHBondContact O-OG 2.83Å; I208-S210 VanDerWaalsContact C-N 3.29Å; I208-S210 PolarHBondContact O-N 3.22Å; S210-G212 VanDerWaalsContact C-N 3.32Å; S210-G212 PolarHBondContact O-N 2.65Å; S210-Y213 PolarHBondContact O-N 3.32Å; S210-V214 PolarHBondContact O-N 2.77Å
211L98.8Very high98.7Very high0 Ų06.9 Ų6.90%03%0.034CC..Hα-helixtrans-64.7-36.2176-167.869.2000112M124 L125 I128 I141 F146 D207 I208 E209 Y213 V214 F215M124-L211 HydrophobicContact CB-CD1 3.92Å; M124-L211 HydrophobicContact CB-CD2 4.2Å; M124-L211 HydrophobicContact CE-CD1 3.62Å; M124-L211 HydrophobicContact SD-CD1 4.31Å; L125-L211 HydrophobicContact CD2-CD2 3.95Å; L125-L211 HydrophobicContact CG-CD2 4.06Å; I128-L211 HydrophobicContact CG1-CD2 4.1Å; I141-L211 HydrophobicContact CG2-CB 4Å; I141-L211 HydrophobicContact CG2-CD1 3.82Å; F146-L211 HydrophobicContact CE2-CD1 4.39Å; F146-L211 HydrophobicContact CZ-CD1 4.19Å; D207-L211 WeakPolarHBondContact O-CB 3.28Å; D207-L211 PolarHBondContact O-N 3.17Å; I208-L211 PolarHBondContact O-N 2.84Å; E209-L211 VanDerWaalsContact C-N 3.34Å; E209-L211 PolarHBondContact O-N 2.8Å; L211-Y213 VanDerWaalsContact C-N 3.35Å; L211-Y213 PolarHBondContact O-N 2.69Å; L211-V214 WeakPolarHBondContact O-CB 3.38Å; L211-V214 PolarHBondContact O-N 3.18Å; L211-V214 VanDerWaalsContact O-N 3.12Å; L211-F215 HydrophobicContact CD1-CE1 4.02Å; L211-F215 HydrophobicContact CD1-CZ 4.1Å; L211-F215 HydrophobicContact CD2-CE1 4.24Å; L211-F215 HydrophobicContact CD2-CE2 4.05Å; L211-F215 HydrophobicContact CD2-CZ 3.49Å; L211-F215 VanDerWaalsContact CD2-CZ 3.49Å; L211-F215 HydrophobicContact CG-CE1 3.81Å; L211-F215 HydrophobicContact CG-CE2 3.88Å; L211-F215 HydrophobicContact CG-CZ 3.43Å; L211-F215 VanDerWaalsContact CG-CZ 3.43Å; L211-F215 WeakPolarHBondContact O-CD2 3.09Å; L211-F215 WeakPolarHBondContact O-CG 3.25Å; L211-F215 PolarHBondContact O-N 3.16Å
212G98.9Very high98.7Very high2 Ų210.7 Ų10.72%0.0215%0.052CC..Hα-helixtrans-60.4-41.1172.200000113I208 E209 S210 V214 F215 M216 Y263I208-G212 PolarHBondContact O-N 3.1Å; E209-G212 PolarHBondContact O-N 3.02Å; S210-G212 VanDerWaalsContact C-N 3.32Å; S210-G212 PolarHBondContact O-N 2.65Å; G212-V214 VanDerWaalsContact C-N 3.34Å; G212-F215 PolarHBondContact O-N 3.42Å; G212-M216 PolarHBondContact O-N 2.82Å; G212-Y263 VanDerWaalsContact CA-CE1 3.42Å
213Y98.9Very high98.7Very high0 Ų010.2 Ų10.20%05%0.05CC..Hα-helixtrans-67.4-32.5172.9-59.7-46000112.8Y191 E209 S210 L211 Y217 W225 L252 L264 R268Y191-Y213 WeakPolarHBondContact O-CD2 3.43Å; E209-Y213 HydrophobicContact CG-CE2 3.75Å; E209-Y213 WeakPolarHBondContact O-CD2 3.43Å; E209-Y213 PolarHBondContact O-N 2.76Å; E209-Y213 WeakPolarHBondContact OE1-CE2 3.48Å; E209-Y213 VanDerWaalsContact OE1-CZ 3.26Å; E209-Y213 PolarHBondContact OE1-OH 2.76Å; S210-Y213 PolarHBondContact O-N 3.32Å; L211-Y213 VanDerWaalsContact C-N 3.35Å; L211-Y213 PolarHBondContact O-N 2.69Å; Y213-Y217 VanDerWaalsContact O-CB 3.24Å; Y213-Y217 WeakPolarHBondContact O-CB 3.14Å; Y213-Y217 PolarHBondContact O-N 3.48Å; Y213-W225 AromaticContact CD1-CH2 3.56Å; Y213-W225 HydrophobicContact CD1-CH2 3.56Å; Y213-W225 AromaticContact CD1-CZ2 3.63Å; Y213-W225 HydrophobicContact CD1-CZ2 3.63Å; Y213-W225 AromaticContact CE1-CH2 3.61Å; Y213-W225 HydrophobicContact CE1-CH2 3.61Å; Y213-W225 HydrophobicContact CE1-CZ2 4.01Å; Y213-W225 HydrophobicContact CG-CH2 4.33Å; Y213-W225 AromaticContact CG-CZ2 3.93Å; Y213-W225 HydrophobicContact CG-CZ2 3.93Å; Y213-L252 HydrophobicContact CD1-CD2 3.89Å; Y213-L252 HydrophobicContact CE1-CD2 4.05Å; Y213-L264 HydrophobicContact CD1-CD2 4.16Å; Y213-L264 HydrophobicContact CE1-CD2 3.99Å; Y213-R268 PolarHBondContact OH-NE 3.35Å; Y213-R268 PolarHBondContact OH-NH2 2.86Å
214V98.9Very high98.7Very high0 Ų011.9 Ų11.90%06%0.06CC..Hα-helixtrans-66.1-42.2172.9170.80000111.6M124 I141 P143 Y191 S210 L211 G212 Y217 F218M124-V214 HydrophobicContact CE-CG1 3.94Å; I141-V214 HydrophobicContact CG2-CG2 4.35Å; P143-V214 HydrophobicContact CG-CG1 4.12Å; Y191-V214 HydrophobicContact CD1-CG2 3.74Å; Y191-V214 HydrophobicContact CE1-CG2 4.22Å; Y191-V214 HydrophobicContact CG-CG2 4.05Å; S210-V214 PolarHBondContact O-N 2.77Å; L211-V214 WeakPolarHBondContact O-CB 3.38Å; L211-V214 PolarHBondContact O-N 3.18Å; L211-V214 VanDerWaalsContact O-N 3.12Å; G212-V214 VanDerWaalsContact C-N 3.34Å; V214-Y217 WeakPolarHBondContact O-CB 3.37Å; V214-Y217 PolarHBondContact O-N 2.68Å; V214-F218 HydrophobicContact CG1-CD2 4.03Å; V214-F218 HydrophobicContact CG1-CE2 3.4Å; V214-F218 VanDerWaalsContact CG1-CE2 3.4Å; V214-F218 HydrophobicContact CG1-CZ 3.72Å; V214-F218 VanDerWaalsContact O-CD2 3.31Å; V214-F218 WeakPolarHBondContact O-CD2 3.47Å; V214-F218 WeakPolarHBondContact O-CG 3.5Å; V214-F218 PolarHBondContact O-N 3.11Å; V214-F218 VanDerWaalsContact O-N 3.1Å
215F98.9Very high98.7Very high0 Ų011.4 Ų11.40%06%0.058CC..Hα-helixtrans-61.9-45.8174.1-57.7-30.4000112.2V117 A121 M124 L211 G212 Y217 F218 L219 F260 Y263 F285V117-F215 HydrophobicContact CG1-CB 4.14Å; V117-F215 HydrophobicContact CG1-CD1 4.46Å; A121-F215 VanDerWaalsContact CA-CE1 3.47Å; A121-F215 VanDerWaalsContact CA-CZ 3.47Å; A121-F215 HydrophobicContact CB-CD1 4.11Å; A121-F215 HydrophobicContact CB-CD2 4.42Å; A121-F215 HydrophobicContact CB-CE1 3.53Å; A121-F215 HydrophobicContact CB-CE2 3.87Å; A121-F215 HydrophobicContact CB-CZ 3.37Å; M124-F215 HydrophobicContact CB-CE1 4.49Å; M124-F215 HydrophobicContact SD-CE1 3.9Å; L211-F215 HydrophobicContact CD1-CE1 4.02Å; L211-F215 HydrophobicContact CD1-CZ 4.1Å; L211-F215 HydrophobicContact CD2-CE1 4.24Å; L211-F215 HydrophobicContact CD2-CE2 4.05Å; L211-F215 HydrophobicContact CD2-CZ 3.49Å; L211-F215 VanDerWaalsContact CD2-CZ 3.49Å; L211-F215 HydrophobicContact CG-CE1 3.81Å; L211-F215 HydrophobicContact CG-CE2 3.88Å; L211-F215 HydrophobicContact CG-CZ 3.43Å; L211-F215 VanDerWaalsContact CG-CZ 3.43Å; L211-F215 WeakPolarHBondContact O-CD2 3.09Å; L211-F215 WeakPolarHBondContact O-CG 3.25Å; L211-F215 PolarHBondContact O-N 3.16Å; G212-F215 PolarHBondContact O-N 3.42Å; F215-Y217 VanDerWaalsContact C-N 3.33Å; F215-Y217 PolarHBondContact O-N 2.85Å; F215-F218 PolarHBondContact O-N 3.36Å; F215-L219 WeakPolarHBondContact O-CG 3.34Å; F215-L219 PolarHBondContact O-N 2.79Å; F215-L219 VanDerWaalsContact O-N 3.15Å; F215-F260 HydrophobicContact CB-CD1 4.15Å; F215-F260 HydrophobicContact CB-CE1 4.09Å; F215-Y263 HydrophobicContact CE2-CD2 4.47Å; F215-Y263 HydrophobicContact CE2-CE1 4.37Å; F215-Y263 AromaticContact CE2-CE2 3.88Å; F215-Y263 HydrophobicContact CE2-CE2 3.88Å; F215-Y263 AromaticContact CE2-CZ 3.83Å; F215-F285 HydrophobicContact CD2-CE2 4.02Å; F215-F285 AromaticContact CD2-CZ 4Å; F215-F285 HydrophobicContact CD2-CZ 4Å; F215-F285 AromaticContact CE2-CE2 3.68Å; F215-F285 HydrophobicContact CE2-CE2 3.68Å; F215-F285 HydrophobicContact CE2-CZ 4.15Å
216M98.9Very high98.6Very high1 Ų112.3 Ų12.31%0.0056%0.064CC..Hα-helixtrans-67.7-32178.2-70.4-50.9-52.800113G212 L219 R220 L223 L252 C253 Y256 F260 L264G212-M216 PolarHBondContact O-N 2.82Å; M216-L219 HydrophobicContact SD-CD1 4.07Å; M216-R220 HydrophobicContact CE-CG 4Å; M216-R220 WeakPolarHBondContact O-CB 3.45Å; M216-R220 WeakPolarHBondContact O-CD 3.21Å; M216-R220 WeakPolarHBondContact O-CG 3.47Å; M216-R220 PolarHBondContact O-N 1.89Å; M216-R220 VanDerWaalsContact O-N 3.09Å; M216-L223 HydrophobicContact CB-CD2 4.13Å; M216-L252 HydrophobicContact CB-CD2 4.21Å; M216-L252 HydrophobicContact CB-CG 4.26Å; M216-L252 WeakPolarHBondContact CE-O 3.29Å; M216-L252 HydrophobicContact CG-CD2 4.1Å; M216-L252 HydrophobicContact CG-CG 4.17Å; M216-C253 HydrophobicContact CE-CB 4.39Å; M216-Y256 HydrophobicContact CE-CD2 3.86Å; M216-Y256 HydrophobicContact CE-CE2 4.45Å; M216-Y256 HydrophobicContact CE-CG 4.12Å; M216-F260 HydrophobicContact SD-CB 3.59Å; M216-F260 VanDerWaalsContact SD-CB 3.59Å; M216-F260 HydrophobicContact SD-CD1 4.27Å; M216-F260 HydrophobicContact SD-CG 4Å; M216-L264 HydrophobicContact CG-CD1 4.25Å
217Y98.9Very high98.4Very high0 Ų014.7 Ų14.70%09%0.089CC..Hα-helixtrans-60.6-49171.4171-104.3000111.6E102 F105 R110 P143 R190 Y191 Y213 V214 F215 L219 R220 G221 L223E102-Y217 PolarHBondContact OE1-OH 3.38Å; E102-Y217 WeakPolarHBondContact OE2-CE1 3.21Å; E102-Y217 PolarHBondContact OE2-OH 3.11Å; F105-Y217 HydrophobicContact CD1-CD1 4.48Å; F105-Y217 AromaticContact CD1-CE1 3.65Å; F105-Y217 HydrophobicContact CD1-CE1 3.65Å; F105-Y217 AromaticContact CD1-CZ 4Å; F105-Y217 AromaticContact CE1-CD1 3.95Å; F105-Y217 HydrophobicContact CE1-CD1 3.95Å; F105-Y217 AromaticContact CE1-CE1 3.35Å; F105-Y217 HydrophobicContact CE1-CE1 3.35Å; F105-Y217 HydrophobicContact CE1-CE2 4.17Å; F105-Y217 AromaticContact CE1-CZ 3.52Å; F105-Y217 HydrophobicContact CZ-CD1 4.27Å; F105-Y217 HydrophobicContact CZ-CE1 4.12Å; R110-Y217 PolarHBondContact NH2-OH 3.43Å; P143-Y217 HydrophobicContact CG-CD1 3.93Å; P143-Y217 HydrophobicContact CG-CE1 3.75Å; R190-Y217 PolarHBondContact NH1-OH 2.91Å; R190-Y217 VanDerWaalsContact NH1-OH 3.17Å; Y191-Y217 HydrophobicContact CE1-CD1 4.21Å; Y191-Y217 HydrophobicContact CE1-CD2 4.27Å; Y191-Y217 HydrophobicContact CE1-CG 4.02Å; Y191-Y217 WeakPolarHBondContact OH-CE1 3.29Å; Y213-Y217 VanDerWaalsContact O-CB 3.24Å; Y213-Y217 WeakPolarHBondContact O-CB 3.14Å; Y213-Y217 PolarHBondContact O-N 3.48Å; V214-Y217 WeakPolarHBondContact O-CB 3.37Å; V214-Y217 PolarHBondContact O-N 2.68Å; F215-Y217 VanDerWaalsContact C-N 3.33Å; F215-Y217 PolarHBondContact O-N 2.85Å; Y217-L219 PolarHBondContact O-N 2.79Å; Y217-R220 PolarHBondContact O-N 3.28Å; Y217-G221 PolarHBondContact O-N 2.71Å; Y217-L223 HydrophobicContact CD2-CD1 4.44Å; Y217-L223 HydrophobicContact CD2-CG 4.27Å
218F98.9Very high98.2Very high0 Ų016.8 Ų16.80%010%0.1CC..Hα-helixtrans-61.8-39.3178.8-67.6-38.9000113.7L101 F105 F112 V117 M124 P143 V214 F215L101-F218 HydrophobicContact CB-CE1 4.19Å; L101-F218 HydrophobicContact CB-CZ 3.67Å; L101-F218 HydrophobicContact CD1-CE2 4.07Å; L101-F218 HydrophobicContact CD1-CZ 3.87Å; L101-F218 HydrophobicContact CG-CZ 4.42Å; F105-F218 HydrophobicContact CB-CD1 4.43Å; F105-F218 HydrophobicContact CB-CE1 4.33Å; F105-F218 HydrophobicContact CD1-CD1 4.46Å; F105-F218 AromaticContact CD2-CD1 3.8Å; F105-F218 HydrophobicContact CD2-CD1 3.8Å; F105-F218 HydrophobicContact CD2-CE1 4.5Å; F105-F218 HydrophobicContact CE2-CB 4.33Å; F105-F218 AromaticContact CE2-CD1 3.98Å; F105-F218 HydrophobicContact CE2-CD1 3.98Å; F105-F218 WeakPolarHBondContact CE2-O 3.42Å; F105-F218 HydrophobicContact CG-CD1 4.03Å; F105-F218 HydrophobicContact CG-CE1 4.34Å; F105-F218 HydrophobicContact CZ-CD1 4.35Å; F112-F218 HydrophobicContact CB-CB 4.36Å; F112-F218 HydrophobicContact CD2-CB 3.79Å; F112-F218 AromaticContact CD2-CD1 3.7Å; F112-F218 HydrophobicContact CD2-CD1 3.7Å; F112-F218 HydrophobicContact CD2-CD2 4.21Å; F112-F218 HydrophobicContact CD2-CE1 4.3Å; F112-F218 AromaticContact CD2-CG 3.66Å; F112-F218 HydrophobicContact CD2-CG 3.66Å; F112-F218 AromaticContact CE2-CD1 3.68Å; F112-F218 HydrophobicContact CE2-CD1 3.68Å; F112-F218 HydrophobicContact CE2-CD2 4.46Å; F112-F218 AromaticContact CE2-CE1 3.83Å; F112-F218 HydrophobicContact CE2-CE1 3.83Å; F112-F218 HydrophobicContact CE2-CG 4.04Å; F112-F218 HydrophobicContact CE2-CZ 4.29Å; F112-F218 HydrophobicContact CG-CB 4.48Å; F112-F218 PolarHBondContact N-O 3.09Å; V117-F218 HydrophobicContact CG2-CB 3.65Å; M124-F218 HydrophobicContact CE-CE2 4.44Å; P143-F218 HydrophobicContact CB-CE1 3.79Å; P143-F218 HydrophobicContact CB-CZ 3.76Å; P143-F218 HydrophobicContact CG-CE1 3.8Å; P143-F218 HydrophobicContact CG-CZ 3.87Å; V214-F218 HydrophobicContact CG1-CD2 4.03Å; V214-F218 HydrophobicContact CG1-CE2 3.4Å; V214-F218 VanDerWaalsContact CG1-CE2 3.4Å; V214-F218 HydrophobicContact CG1-CZ 3.72Å; V214-F218 VanDerWaalsContact O-CD2 3.31Å; V214-F218 WeakPolarHBondContact O-CD2 3.47Å; V214-F218 WeakPolarHBondContact O-CG 3.5Å; V214-F218 PolarHBondContact O-N 3.11Å; V214-F218 VanDerWaalsContact O-N 3.1Å; F215-F218 PolarHBondContact O-N 3.36Å
219L98.6Very high98Very high6 Ų625.4 Ų25.43%0.03114%0.137CC..Hα-helixtrans-71.3-33.6178.3-70.6172000113.3V117 F215 M216 Y217 Y256 F260V117-L219 HydrophobicContact CB-CD2 3.99Å; V117-L219 HydrophobicContact CB-CG 4.32Å; V117-L219 HydrophobicContact CG1-CD1 4.46Å; V117-L219 HydrophobicContact CG1-CD2 4.28Å; V117-L219 HydrophobicContact CG1-CG 4.1Å; V117-L219 HydrophobicContact CG2-CD2 3.78Å; V117-L219 HydrophobicContact CG2-CG 4.04Å; F215-L219 WeakPolarHBondContact O-CG 3.34Å; F215-L219 PolarHBondContact O-N 2.79Å; F215-L219 VanDerWaalsContact O-N 3.15Å; M216-L219 HydrophobicContact SD-CD1 4.07Å; Y217-L219 PolarHBondContact O-N 2.79Å; L219-Y256 HydrophobicContact CB-CD1 3.8Å; L219-Y256 HydrophobicContact CB-CE1 3.71Å; L219-Y256 HydrophobicContact CD1-CD1 4.08Å; L219-Y256 HydrophobicContact CD2-CD1 4.44Å; L219-Y256 HydrophobicContact CG-CD1 4.34Å; L219-Y256 WeakPolarHBondContact O-CE1 3.33Å; L219-Y256 PolarHBondContact O-OH 2.92Å; L219-F260 HydrophobicContact CD1-CD1 4Å; L219-F260 HydrophobicContact CD1-CD2 3.88Å; L219-F260 HydrophobicContact CD1-CE1 3.83Å; L219-F260 HydrophobicContact CD1-CE2 3.7Å; L219-F260 HydrophobicContact CD1-CG 4.04Å; L219-F260 HydrophobicContact CD1-CZ 3.68Å
220R98.3Very high97.8Very high45 Ų4526.7 Ų26.717%0.1715%0.148CC..Hα-helixtrans-98.8-17.5-170.9-66.2173.757.491.617.8115M216 Y217 H222 L252 Y256M216-R220 HydrophobicContact CE-CG 4Å; M216-R220 WeakPolarHBondContact O-CB 3.45Å; M216-R220 WeakPolarHBondContact O-CD 3.21Å; M216-R220 WeakPolarHBondContact O-CG 3.47Å; M216-R220 PolarHBondContact O-N 1.89Å; M216-R220 VanDerWaalsContact O-N 3.09Å; Y217-R220 PolarHBondContact O-N 3.28Å; R220-H222 WeakPolarHBondContact CB-O 3.25Å; R220-H222 PolarHBondContact NE-O 3.21Å; R220-H222 VanDerWaalsContact NE-O 3.13Å; R220-H222 PolarHBondContact NH2-NE2 3.04Å; R220-H222 PolarHBondContact O-N 2.78Å; R220-H222 VanDerWaalsContact O-N 3.13Å; R220-H222 PolarHBondContact O-ND1 3.31Å; R220-L252 PolarHBondContact NH1-O 3.26Å; R220-Y256 HydrophobicContact CG-CD2 4.46Å; R220-Y256 HydrophobicContact CG-CE2 3.68Å
221G98.3Very high97.6Very high16 Ų1633.7 Ų33.717%0.16519%0.185CC..SBendtrans78.7-27.1-166.900000114.6R110 Y217R110-G221 WeakPolarHBondContact O-CA 3.15Å; Y217-G221 PolarHBondContact O-N 2.71Å
222H97.8Very high97.4Very high92 Ų9237.1 Ų37.143%0.42621%0.206SC..SBendtrans-154.8153.4-179.370.2-76000112.2R220R220-H222 WeakPolarHBondContact CB-O 3.25Å; R220-H222 PolarHBondContact NE-O 3.21Å; R220-H222 VanDerWaalsContact NE-O 3.13Å; R220-H222 PolarHBondContact NH2-NE2 3.04Å; R220-H222 PolarHBondContact O-N 2.78Å; R220-H222 VanDerWaalsContact O-N 3.13Å; R220-H222 PolarHBondContact O-ND1 3.31Å
223L98.6Very high97Very high1 Ų141.4 Ų41.41%0.00522%0.224CC..  trans-95.8148.1169.3-65.8167.9000111R190 Y191 M216 Y217 W225 Q226 L252R190-L223 HydrophobicContact CG-CD1 4.35Å; Y191-L223 HydrophobicContact CD1-CD1 4.14Å; Y191-L223 HydrophobicContact CE1-CD1 4.21Å; M216-L223 HydrophobicContact CB-CD2 4.13Å; Y217-L223 HydrophobicContact CD2-CD1 4.44Å; Y217-L223 HydrophobicContact CD2-CG 4.27Å; L223-W225 HydrophobicContact CB-CD2 4.16Å; L223-W225 HydrophobicContact CB-CG 4.5Å; L223-W225 HydrophobicContact CB-CZ2 3.96Å; L223-W225 HydrophobicContact CD1-CZ2 3.83Å; L223-W225 HydrophobicContact CD2-CH2 4.35Å; L223-W225 HydrophobicContact CD2-CZ2 3.96Å; L223-W225 HydrophobicContact CG-CZ2 4.13Å; L223-W225 PolarHBondContact O-N 3.17Å; L223-Q226 PolarHBondContact O-N 3.29Å; L223-L252 HydrophobicContact CD2-CD1 4.12Å
224P98.4Very high96.7Very high35 Ų3548.4 Ų48.423%0.22726%0.255CS..THydrogen-bonded Turntrans-62.9-1.5-176.1-25.236.2000117.1K243 T247 L252P224-K243 WeakPolarHBondContact O-CE 3.41Å; P224-K243 WeakPolarHBondContact O-CG 3.43Å; P224-T247 HydrophobicContact CG-CG2 4.32Å; P224-L252 VanDerWaalsContact CD-CD1 3.41Å; P224-L252 HydrophobicContact CG-CD1 3.78Å
225W98.4Very high96.6Very high3 Ų351.8 Ų51.81%0.01127%0.27CS..THydrogen-bonded Turntrans-117.414.3178.45080000113.1R190 Y213 L223 L228 I240 K243 K244 T247 L252R190-W225 PolarHBondContact O-NE1 2.81Å; Y213-W225 AromaticContact CD1-CH2 3.56Å; Y213-W225 HydrophobicContact CD1-CH2 3.56Å; Y213-W225 AromaticContact CD1-CZ2 3.63Å; Y213-W225 HydrophobicContact CD1-CZ2 3.63Å; Y213-W225 AromaticContact CE1-CH2 3.61Å; Y213-W225 HydrophobicContact CE1-CH2 3.61Å; Y213-W225 HydrophobicContact CE1-CZ2 4.01Å; Y213-W225 HydrophobicContact CG-CH2 4.33Å; Y213-W225 AromaticContact CG-CZ2 3.93Å; Y213-W225 HydrophobicContact CG-CZ2 3.93Å; L223-W225 HydrophobicContact CB-CD2 4.16Å; L223-W225 HydrophobicContact CB-CG 4.5Å; L223-W225 HydrophobicContact CB-CZ2 3.96Å; L223-W225 HydrophobicContact CD1-CZ2 3.83Å; L223-W225 HydrophobicContact CD2-CH2 4.35Å; L223-W225 HydrophobicContact CD2-CZ2 3.96Å; L223-W225 HydrophobicContact CG-CZ2 4.13Å; L223-W225 PolarHBondContact O-N 3.17Å; W225-L228 HydrophobicContact CB-CD1 4.02Å; W225-I240 HydrophobicContact CB-CG1 4.46Å; W225-I240 HydrophobicContact CB-CG2 4.32Å; W225-I240 HydrophobicContact CG-CG2 4.25Å; W225-K243 HydrophobicContact CB-CB 3.99Å; W225-K243 HydrophobicContact CB-CG 3.81Å; W225-K244 HydrophobicContact CD2-CD 4.41Å; W225-K244 HydrophobicContact CD2-CG 3.64Å; W225-K244 HydrophobicContact CE3-CG 3.65Å; W225-K244 HydrophobicContact CG-CG 4.2Å; W225-K244 HydrophobicContact CH2-CG 4.08Å; W225-K244 HydrophobicContact CZ2-CD 4.41Å; W225-K244 VanDerWaalsContact CZ2-CE 3.45Å; W225-K244 HydrophobicContact CZ2-CG 4.07Å; W225-K244 HydrophobicContact CZ3-CG 3.89Å; W225-T247 HydrophobicContact CZ3-CG2 4.26Å; W225-L252 HydrophobicContact CH2-CD1 4.25Å; W225-L252 HydrophobicContact CH2-CD2 3.88Å; W225-L252 HydrophobicContact CZ3-CD1 4.36Å; W225-L252 HydrophobicContact CZ3-CD2 4.48Å
226Q97.5Very high96.4Very high48 Ų4854.5 Ų54.522%0.22428%0.282CS..SBendtrans-81.5160.8165.2-74.4176.8-112.700111.3R190 L223 L228R190-Q226 HydrophobicContact CG-CG 4.01Å; L223-Q226 PolarHBondContact O-N 3.29Å; Q226-L228 PolarHBondContact O-N 3.38Å; Q226-L228 VanDerWaalsContact O-N 3.1Å
227G94.3Very high96.3Very high51 Ų5156.8 Ų56.853%0.52629%0.291SS..SBendtrans69.31.6177.900000115.9K229G227-K229 PolarHBondContact O-N 3.4Å; G227-K229 VanDerWaalsContact O-N 3.11Å
228L95.2Very high96.2Very high45 Ų4560.4 Ų60.424%0.23631%0.308CS..  trans-64.5112.8-179.6-59.3-177.3000110.9W225 Q226 K236 R239 I240 K243W225-L228 HydrophobicContact CB-CD1 4.02Å; Q226-L228 PolarHBondContact O-N 3.38Å; Q226-L228 VanDerWaalsContact O-N 3.1Å; L228-K236 VanDerWaalsContact O-CE 3.25Å; L228-K236 WeakPolarHBondContact O-CE 3.48Å; L228-R239 HydrophobicContact CD1-CB 4.22Å; L228-R239 WeakPolarHBondContact CD1-O 3.42Å; L228-I240 HydrophobicContact CD1-CG1 4.09Å; L228-K243 HydrophobicContact CD1-CB 4.03Å; L228-K243 HydrophobicContact CD1-CG 4.36Å
229K94.3Very high96.2Very high181 Ų18165.9 Ų65.979%0.78733%0.329SS*.  trans-71.3144.5174.6-61.4-176179.6-1770110.4G227 R239G227-K229 PolarHBondContact O-N 3.4Å; G227-K229 VanDerWaalsContact O-N 3.11Å; K229-R239 PolarHBondContact O-NH1 2.86Å
230A94Very high96.1Very high29 Ų2966.2 Ų66.224%0.2433%0.331CS..  trans-161.4157.6174.400000110Q235 K236A230-Q235 HydrophobicContact CB-CB 3.84Å; A230-K236 HydrophobicContact CB-CB 3.84Å; A230-K236 HydrophobicContact CB-CG 4.43Å
231N94.6Very high96.1Very high153 Ų15367.4 Ų67.482%0.81834%0.335SS*.SBendtrans-85.8-25.2-176.2-58.6-0.1000112.2
232T95.3Very high96.1Very high71 Ų7172.1 Ų72.144%0.43635%0.353SS..SBendtrans-129.2160.5177.375.60000111.9K234 Q235 K236T232-K234 VanDerWaalsContact C-N 3.3Å; T232-K234 PolarHBondContact O-N 2.91Å; T232-Q235 PolarHBondContact O-N 2.98Å; T232-Q235 WeakPolarHBondContact OG1-CG 3.34Å; T232-Q235 PolarHBondContact OG1-N 3.26Å; T232-K236 PolarHBondContact O-N 3.45Å
233K90.7Very high96.2Very high93 Ų9371.8 Ų71.840%0.40435%0.35SS..Hα-helixtrans-59.7-40.9176.5-161.5-172.5-170.6-153.70112.2K236 Y237 N332 N333K233-K236 PolarHBondContact O-N 3.49Å; K233-Y237 WeakPolarHBondContact CE-OH 3.28Å; K233-Y237 HydrophobicContact CG-CE1 4.41Å; K233-Y237 HydrophobicContact CG-CE2 4.48Å; K233-Y237 PolarHBondContact NZ-OH 2.96Å; K233-Y237 PolarHBondContact O-N 3.22Å; K233-Y237 VanDerWaalsContact O-N 3.08Å; K233-N332 PolarHBondContact NZ-O 3.35Å; K233-N333 WeakPolarHBondContact CE-OD1 3.45Å; K233-N333 PolarHBondContact NZ-OD1 3.03Å
234K92.9Very high96.2Very high147 Ų14771.7 Ų71.764%0.63935%0.35SS*.Hα-helixtrans-59.5-49.6175.8-179.2171.6169.9173.30110.9T232 K236 Y237 E238T232-K234 VanDerWaalsContact C-N 3.3Å; T232-K234 PolarHBondContact O-N 2.91Å; K234-K236 VanDerWaalsContact C-N 3.32Å; K234-K236 PolarHBondContact O-N 3.33Å; K234-Y237 WeakPolarHBondContact O-CB 3.49Å; K234-Y237 PolarHBondContact O-N 3.16Å; K234-E238 WeakPolarHBondContact CE-OE1 2.99Å; K234-E238 HydrophobicContact CG-CG 4.43Å; K234-E238 WeakPolarHBondContact CG-OE1 3.48Å; K234-E238 IonicContact NZ-OE1 3.27Å; K234-E238 WeakPolarHBondContact O-CG 3.3Å; K234-E238 PolarHBondContact O-N 2.84Å
235Q95.6Very high96.2Very high70 Ų7074.6 Ų74.633%0.32736%0.363SS..Hα-helixtrans-62.4-33.3175.3-70.8171.6-6.600113.7A230 T232 Y237 E238 R239A230-Q235 HydrophobicContact CB-CB 3.84Å; T232-Q235 PolarHBondContact O-N 2.98Å; T232-Q235 WeakPolarHBondContact OG1-CG 3.34Å; T232-Q235 PolarHBondContact OG1-N 3.26Å; Q235-Y237 VanDerWaalsContact C-N 3.32Å; Q235-E238 VanDerWaalsContact CA-OE2 3.26Å; Q235-E238 WeakPolarHBondContact CA-OE2 3.17Å; Q235-E238 PolarHBondContact N-OE2 2.99Å; Q235-R239 WeakPolarHBondContact O-CB 3.45Å; Q235-R239 VanDerWaalsContact O-CG 3.32Å; Q235-R239 WeakPolarHBondContact O-CG 3.45Å; Q235-R239 PolarHBondContact O-N 3.33Å
236K96Very high96.2Very high57 Ų5778.3 Ų78.325%0.24840%0.395CS..Hα-helixtrans-66.8-35.4174.1-160.9164.7-178.1169.70110.9L228 A230 T232 K233 K234 I240 D325L228-K236 VanDerWaalsContact O-CE 3.25Å; L228-K236 WeakPolarHBondContact O-CE 3.48Å; A230-K236 HydrophobicContact CB-CB 3.84Å; A230-K236 HydrophobicContact CB-CG 4.43Å; T232-K236 PolarHBondContact O-N 3.45Å; K233-K236 PolarHBondContact O-N 3.49Å; K234-K236 VanDerWaalsContact C-N 3.32Å; K234-K236 PolarHBondContact O-N 3.33Å; K236-I240 HydrophobicContact CG-CD1 4.44Å; K236-I240 VanDerWaalsContact O-CD1 3.31Å; K236-I240 WeakPolarHBondContact O-CD1 3.47Å; K236-I240 WeakPolarHBondContact O-CG1 3.41Å; K236-I240 PolarHBondContact O-N 3.42Å; K236-D325 IonicContact NZ-OD1 3.59Å; K236-D325 IonicContact NZ-OD2 2.71Å
237Y95.9Very high96.2Very high49 Ų4976.5 Ų76.519%0.19239%0.387CS..Hα-helixtrans-73.3-45.2175.5-67.8-8.2000112.2L185 A189 K233 K234 Q235 R239 I240 Y241 N333L185-Y237 HydrophobicContact CD2-CD2 3.73Å; L185-Y237 HydrophobicContact CD2-CE2 3.95Å; L185-Y237 HydrophobicContact CD2-CG 4.01Å; A189-Y237 HydrophobicContact CB-CD1 3.58Å; A189-Y237 HydrophobicContact CB-CE1 3.38Å; A189-Y237 HydrophobicContact CB-CG 4.33Å; K233-Y237 WeakPolarHBondContact CE-OH 3.28Å; K233-Y237 HydrophobicContact CG-CE1 4.41Å; K233-Y237 HydrophobicContact CG-CE2 4.48Å; K233-Y237 PolarHBondContact NZ-OH 2.96Å; K233-Y237 PolarHBondContact O-N 3.22Å; K233-Y237 VanDerWaalsContact O-N 3.08Å; K234-Y237 WeakPolarHBondContact O-CB 3.49Å; K234-Y237 PolarHBondContact O-N 3.16Å; Q235-Y237 VanDerWaalsContact C-N 3.32Å; Y237-R239 PolarHBondContact O-N 3.06Å; Y237-I240 WeakPolarHBondContact O-CB 3.43Å; Y237-I240 PolarHBondContact O-N 3.47Å; Y237-I240 VanDerWaalsContact O-N 3.08Å; Y237-Y241 PolarHBondContact O-N 3.43Å; Y237-N333 PolarHBondContact OH-OD1 2.94Å
238E96.4Very high96.4Very high77 Ų7776.2 Ų76.236%0.3638%0.377SS..Hα-helixtrans-54.8-48.5174.9-70.3161.8158.500111.1K234 Q235 I240 Y241 E242K234-E238 WeakPolarHBondContact CE-OE1 2.99Å; K234-E238 HydrophobicContact CG-CG 4.43Å; K234-E238 WeakPolarHBondContact CG-OE1 3.48Å; K234-E238 IonicContact NZ-OE1 3.27Å; K234-E238 WeakPolarHBondContact O-CG 3.3Å; K234-E238 PolarHBondContact O-N 2.84Å; Q235-E238 VanDerWaalsContact CA-OE2 3.26Å; Q235-E238 WeakPolarHBondContact CA-OE2 3.17Å; Q235-E238 PolarHBondContact N-OE2 2.99Å; E238-I240 VanDerWaalsContact C-N 3.33Å; E238-I240 PolarHBondContact O-N 2.99Å; E238-Y241 WeakPolarHBondContact O-CB 3.19Å; E238-Y241 PolarHBondContact O-N 2.86Å; E238-Y241 VanDerWaalsContact O-N 3.12Å; E238-E242 VanDerWaalsContact O-CG 3.32Å; E238-E242 WeakPolarHBondContact O-CG 3.4Å; E238-E242 PolarHBondContact O-N 2.73Å
239R98Very high96.6Very high115 Ų11574.4 Ų74.443%0.43437%0.368SS..Hα-helixtrans-64.5-32176.2-70.8175.9-179.9-166.2-5.3114L228 K229 Q235 Y237 K243L228-R239 HydrophobicContact CD1-CB 4.22Å; L228-R239 WeakPolarHBondContact CD1-O 3.42Å; K229-R239 PolarHBondContact O-NH1 2.86Å; Q235-R239 WeakPolarHBondContact O-CB 3.45Å; Q235-R239 VanDerWaalsContact O-CG 3.32Å; Q235-R239 WeakPolarHBondContact O-CG 3.45Å; Q235-R239 PolarHBondContact O-N 3.33Å; Y237-R239 PolarHBondContact O-N 3.06Å; R239-K243 WeakPolarHBondContact O-CB 3.26Å; R239-K243 PolarHBondContact O-N 3.34Å; R239-K243 VanDerWaalsContact O-N 3.1Å
240I98.4Very high96.8Very high13 Ų1369.5 Ų69.57%0.06735%0.348CS..Hα-helixtrans-69.2-40.7173.1-72.5165.4000110.4A189 W225 L228 K236 Y237 E238 K243 K244A189-I240 HydrophobicContact CB-CD1 4.42Å; W225-I240 HydrophobicContact CB-CG1 4.46Å; W225-I240 HydrophobicContact CB-CG2 4.32Å; W225-I240 HydrophobicContact CG-CG2 4.25Å; L228-I240 HydrophobicContact CD1-CG1 4.09Å; K236-I240 HydrophobicContact CG-CD1 4.44Å; K236-I240 VanDerWaalsContact O-CD1 3.31Å; K236-I240 WeakPolarHBondContact O-CD1 3.47Å; K236-I240 WeakPolarHBondContact O-CG1 3.41Å; K236-I240 PolarHBondContact O-N 3.42Å; Y237-I240 WeakPolarHBondContact O-CB 3.43Å; Y237-I240 PolarHBondContact O-N 3.47Å; Y237-I240 VanDerWaalsContact O-N 3.08Å; E238-I240 VanDerWaalsContact C-N 3.33Å; E238-I240 PolarHBondContact O-N 2.99Å; I240-K243 PolarHBondContact O-N 3.01Å; I240-K244 HydrophobicContact CG2-CD 4.18Å; I240-K244 WeakPolarHBondContact O-CB 3.2Å; I240-K244 WeakPolarHBondContact O-CG 3.31Å; I240-K244 PolarHBondContact O-N 3.2Å
241Y98.2Very high97Very high69 Ų6970.8 Ų70.827%0.27136%0.358SS..Hα-helixtrans-65.4-51.9178177.9-134.6000111.9I194 H197 A198 Y237 E238 K243 K244 L245I194-Y241 HydrophobicContact CG2-CE2 4.01Å; I194-Y241 WeakPolarHBondContact O-CE2 3.14Å; H197-Y241 HydrophobicContact CB-CD2 3.3Å; H197-Y241 HydrophobicContact CB-CE2 3.95Å; H197-Y241 HydrophobicContact CB-CG 3.69Å; A198-Y241 HydrophobicContact CB-CE2 4.12Å; A198-Y241 VanDerWaalsContact CB-OH 3.29Å; A198-Y241 WeakPolarHBondContact CB-OH 3.5Å; Y237-Y241 PolarHBondContact O-N 3.43Å; E238-Y241 WeakPolarHBondContact O-CB 3.19Å; E238-Y241 PolarHBondContact O-N 2.86Å; E238-Y241 VanDerWaalsContact O-N 3.12Å; Y241-K243 VanDerWaalsContact C-N 3.27Å; Y241-K243 PolarHBondContact O-N 3.09Å; Y241-K244 WeakPolarHBondContact O-CB 3.37Å; Y241-K244 PolarHBondContact O-N 3.11Å; Y241-L245 HydrophobicContact CD1-CD1 4.34Å; Y241-L245 HydrophobicContact CD2-CD1 4.19Å; Y241-L245 HydrophobicContact CD2-CG 4.2Å; Y241-L245 HydrophobicContact CE1-CD1 3.97Å; Y241-L245 HydrophobicContact CE2-CD1 3.82Å; Y241-L245 HydrophobicContact CE2-CD2 4.18Å; Y241-L245 HydrophobicContact CE2-CG 3.94Å; Y241-L245 HydrophobicContact CG-CD1 4.45Å; Y241-L245 PolarHBondContact O-N 3.16Å
242E98.4Very high97.2Very high116 Ų11663.5 Ų63.554%0.54232%0.319SS..Hα-helixtrans-50.7-47.9172.3-70.9165.3179.400111.2E238 K244 L245 A246E238-E242 VanDerWaalsContact O-CG 3.32Å; E238-E242 WeakPolarHBondContact O-CG 3.4Å; E238-E242 PolarHBondContact O-N 2.73Å; E242-K244 VanDerWaalsContact C-N 3.34Å; E242-K244 PolarHBondContact O-N 2.98Å; E242-L245 PolarHBondContact O-N 3.18Å; E242-A246 WeakPolarHBondContact O-CB 3.37Å; E242-A246 PolarHBondContact O-N 3.14Å
243K98.6Very high97.3Very high84 Ų8460.3 Ų60.337%0.36530%0.3SS..Hα-helixtrans-70.2-28.4-179.3-171.256.6175.3176.20113.2P224 W225 L228 R239 I240 Y241 T247P224-K243 WeakPolarHBondContact O-CE 3.41Å; P224-K243 WeakPolarHBondContact O-CG 3.43Å; W225-K243 HydrophobicContact CB-CB 3.99Å; W225-K243 HydrophobicContact CB-CG 3.81Å; L228-K243 HydrophobicContact CD1-CB 4.03Å; L228-K243 HydrophobicContact CD1-CG 4.36Å; R239-K243 WeakPolarHBondContact O-CB 3.26Å; R239-K243 PolarHBondContact O-N 3.34Å; R239-K243 VanDerWaalsContact O-N 3.1Å; I240-K243 PolarHBondContact O-N 3.01Å; Y241-K243 VanDerWaalsContact C-N 3.27Å; Y241-K243 PolarHBondContact O-N 3.09Å; K243-T247 WeakPolarHBondContact O-CB 3.49Å; K243-T247 PolarHBondContact O-N 2.94Å; K243-T247 PolarHBondContact O-OG1 3.12Å
244K98.6Very high97.7Very high0 Ų064.1 Ų64.10%032%0.316CS..Hα-helixtrans-71.6-42.6172-82.8178.6171179.50112.3A189 R190 A192 I194 W225 I240 Y241 E242 T247A189-K244 PolarHBondContact O-NZ 2.94Å; R190-K244 WeakPolarHBondContact O-CE 3.38Å; R190-K244 PolarHBondContact O-NZ 3.18Å; A192-K244 PolarHBondContact O-NZ 3.46Å; I194-K244 HydrophobicContact CD1-CB 4.43Å; I194-K244 HydrophobicContact CG1-CB 4.07Å; W225-K244 HydrophobicContact CD2-CD 4.41Å; W225-K244 HydrophobicContact CD2-CG 3.64Å; W225-K244 HydrophobicContact CE3-CG 3.65Å; W225-K244 HydrophobicContact CG-CG 4.2Å; W225-K244 HydrophobicContact CH2-CG 4.08Å; W225-K244 HydrophobicContact CZ2-CD 4.41Å; W225-K244 VanDerWaalsContact CZ2-CE 3.45Å; W225-K244 HydrophobicContact CZ2-CG 4.07Å; W225-K244 HydrophobicContact CZ3-CG 3.89Å; I240-K244 HydrophobicContact CG2-CD 4.18Å; I240-K244 WeakPolarHBondContact O-CB 3.2Å; I240-K244 WeakPolarHBondContact O-CG 3.31Å; I240-K244 PolarHBondContact O-N 3.2Å; Y241-K244 WeakPolarHBondContact O-CB 3.37Å; Y241-K244 PolarHBondContact O-N 3.11Å; E242-K244 VanDerWaalsContact C-N 3.34Å; E242-K244 PolarHBondContact O-N 2.98Å; K244-T247 PolarHBondContact O-N 3.31Å; K244-T247 VanDerWaalsContact O-O 3.14Å
245L98.2Very high97.9Very high95 Ų9560.8 Ų60.850%0.49732%0.324SS..Hα-helixtrans-61.5-46.6173.3-70.8171.3000111.1I194 Y241 E242 T247I194-L245 HydrophobicContact CD1-CD2 4.46Å; I194-L245 HydrophobicContact CG2-CD2 3.74Å; Y241-L245 HydrophobicContact CD1-CD1 4.34Å; Y241-L245 HydrophobicContact CD2-CD1 4.19Å; Y241-L245 HydrophobicContact CD2-CG 4.2Å; Y241-L245 HydrophobicContact CE1-CD1 3.97Å; Y241-L245 HydrophobicContact CE2-CD1 3.82Å; Y241-L245 HydrophobicContact CE2-CD2 4.18Å; Y241-L245 HydrophobicContact CE2-CG 3.94Å; Y241-L245 HydrophobicContact CG-CD1 4.45Å; Y241-L245 PolarHBondContact O-N 3.16Å; E242-L245 PolarHBondContact O-N 3.18Å; L245-T247 PolarHBondContact O-N 3.3Å
246A98.4Very high98.1Very high82 Ų8260 Ų6068%0.67832%0.319SS*.THydrogen-bonded Turntrans-74.22.2178.500000114.7E242E242-A246 WeakPolarHBondContact O-CB 3.37Å; E242-A246 PolarHBondContact O-N 3.14Å
247T98.6Very high98.2Very high9 Ų959.1 Ų59.16%0.05532%0.319CS..  trans-117.7101.6175.8-52.60000109.7P224 W225 K243 K244 L245 A251 L252P224-T247 HydrophobicContact CG-CG2 4.32Å; W225-T247 HydrophobicContact CZ3-CG2 4.26Å; K243-T247 WeakPolarHBondContact O-CB 3.49Å; K243-T247 PolarHBondContact O-N 2.94Å; K243-T247 PolarHBondContact O-OG1 3.12Å; K244-T247 PolarHBondContact O-N 3.31Å; K244-T247 VanDerWaalsContact O-O 3.14Å; L245-T247 PolarHBondContact O-N 3.3Å; T247-A251 HydrophobicContact CG2-CB 4.29Å; T247-L252 HydrophobicContact CG2-CB 3.99Å
248S98.3Very high98.3Very high46 Ų4659.8 Ų59.832%0.32233%0.327SS..  trans-68161.5174.682.30000111.7E250 A251 L252S248-E250 VanDerWaalsContact C-N 3.29Å; S248-E250 WeakPolarHBondContact CB-OE2 3.36Å; S248-E250 PolarHBondContact O-N 3.33Å; S248-E250 PolarHBondContact OG-OE2 2.96Å; S248-A251 PolarHBondContact O-N 3.05Å; S248-A251 PolarHBondContact OG-N 3.37Å; S248-L252 PolarHBondContact O-N 3.3Å
249P98.6Very high98.4Very high6 Ų657.7 Ų57.74%0.03932%0.318CS..Hα-helixtrans-56.7-41.8176.2-27.940.2000112.6A251 L252 C253 E261 L264P249-A251 PolarHBondContact O-N 3.29Å; P249-L252 PolarHBondContact O-N 3.3Å; P249-C253 VanDerWaalsContact O-CB 3.26Å; P249-C253 WeakPolarHBondContact O-CB 3.39Å; P249-C253 PolarHBondContact O-N 2.88Å; P249-C253 PolarHBondContact O-SG 2.73Å; P249-C253 VanDerWaalsContact O-SG 3.42Å; P249-E261 HydrophobicContact CB-CG 3.9Å; P249-L264 HydrophobicContact CB-CB 4.04Å; P249-L264 HydrophobicContact CG-CB 4.27Å
250E98.6Very high98.4Very high78 Ų7852.4 Ų52.436%0.36430%0.298SS..Hα-helixtrans-60.9-44.7177.5-49.471.9-161.400110.5S248 L252 C253 K254 E261 H265S248-E250 VanDerWaalsContact C-N 3.29Å; S248-E250 WeakPolarHBondContact CB-OE2 3.36Å; S248-E250 PolarHBondContact O-N 3.33Å; S248-E250 PolarHBondContact OG-OE2 2.96Å; E250-L252 VanDerWaalsContact C-N 3.34Å; E250-L252 PolarHBondContact O-N 3.45Å; E250-C253 PolarHBondContact O-N 2.86Å; E250-K254 WeakPolarHBondContact O-CA 3.44Å; E250-K254 WeakPolarHBondContact O-CB 3.23Å; E250-K254 PolarHBondContact O-N 2.81Å; E250-E261 WeakPolarHBondContact CA-OE2 3.23Å; E250-E261 HydrophobicContact CG-CG 4.37Å; E250-H265 IonicContact OE1-CD2 3.56Å; E250-H265 IonicContact OE1-CE1 3.15Å; E250-H265 PolarHBondContact OE1-CE1 3.16Å; E250-H265 IonicContact OE1-NE2 2.71Å; E250-H265 PolarHBondContact OE1-NE2 3.37Å
251A98.6Very high98.4Very high56 Ų5654 Ų5446%0.46331%0.305SS..Hα-helixtrans-67.2-32.9179.100000112.8T247 S248 P249T247-A251 HydrophobicContact CG2-CB 4.29Å; S248-A251 PolarHBondContact O-N 3.05Å; S248-A251 PolarHBondContact OG-N 3.37Å; P249-A251 PolarHBondContact O-N 3.29Å
252L98.6Very high98.5Very high1 Ų154.9 Ų54.91%0.00531%0.31CS..Hα-helixtrans-75.3-41.8175.8-176.160.2000112.2Y213 M216 R220 L223 P224 W225 T247 S248 P249 E250 L264Y213-L252 HydrophobicContact CD1-CD2 3.89Å; Y213-L252 HydrophobicContact CE1-CD2 4.05Å; M216-L252 HydrophobicContact CB-CD2 4.21Å; M216-L252 HydrophobicContact CB-CG 4.26Å; M216-L252 WeakPolarHBondContact CE-O 3.29Å; M216-L252 HydrophobicContact CG-CD2 4.1Å; M216-L252 HydrophobicContact CG-CG 4.17Å; R220-L252 PolarHBondContact NH1-O 3.26Å; L223-L252 HydrophobicContact CD2-CD1 4.12Å; P224-L252 VanDerWaalsContact CD-CD1 3.41Å; P224-L252 HydrophobicContact CG-CD1 3.78Å; W225-L252 HydrophobicContact CH2-CD1 4.25Å; W225-L252 HydrophobicContact CH2-CD2 3.88Å; W225-L252 HydrophobicContact CZ3-CD1 4.36Å; W225-L252 HydrophobicContact CZ3-CD2 4.48Å; T247-L252 HydrophobicContact CG2-CB 3.99Å; S248-L252 PolarHBondContact O-N 3.3Å; P249-L252 PolarHBondContact O-N 3.3Å; E250-L252 VanDerWaalsContact C-N 3.34Å; E250-L252 PolarHBondContact O-N 3.45Å; L252-L264 HydrophobicContact CD2-CD1 3.8Å
253C98.6Very high98.5Very high3 Ų349.4 Ų49.42%0.0229%0.285CS..Hα-helixtrans-89.5-6.2-175-64.70000114.3M216 P249 E250 G255 Y256 E261M216-C253 HydrophobicContact CE-CB 4.39Å; P249-C253 VanDerWaalsContact O-CB 3.26Å; P249-C253 WeakPolarHBondContact O-CB 3.39Å; P249-C253 PolarHBondContact O-N 2.88Å; P249-C253 PolarHBondContact O-SG 2.73Å; P249-C253 VanDerWaalsContact O-SG 3.42Å; E250-C253 PolarHBondContact O-N 2.86Å; C253-G255 PolarHBondContact O-N 3.25Å; C253-G255 VanDerWaalsContact O-N 3.16Å; C253-Y256 WeakPolarHBondContact O-CA 3.48Å; C253-Y256 WeakPolarHBondContact O-CB 3.36Å; C253-Y256 PolarHBondContact O-N 3.47Å; C253-E261 HydrophobicContact CB-CB 3.96Å
254K98.3Very high98.5Very high173 Ų17345.4 Ų45.475%0.75227%0.267SS*.THydrogen-bonded Turntrans-48.2120.8176.8-172.3173.9-176.5175.80112E250E250-K254 WeakPolarHBondContact O-CA 3.44Å; E250-K254 WeakPolarHBondContact O-CB 3.23Å; E250-K254 PolarHBondContact O-N 2.81Å
255G97.9Very high98.5Very high78 Ų7849.4 Ų49.480%0.80429%0.286SS*.THydrogen-bonded Turntrans90.13.4-177.200000115.2C253C253-G255 PolarHBondContact O-N 3.25Å; C253-G255 VanDerWaalsContact O-N 3.16Å
256Y98.2Very high98.5Very high54 Ų5447.6 Ų47.621%0.21227%0.274CS..SBendtrans-121.3164.7175-58.8-86.7000110R111 M216 L219 R220 C253R111-Y256 PolarHBondContact NH2-OH 2.89Å; M216-Y256 HydrophobicContact CE-CD2 3.86Å; M216-Y256 HydrophobicContact CE-CE2 4.45Å; M216-Y256 HydrophobicContact CE-CG 4.12Å; L219-Y256 HydrophobicContact CB-CD1 3.8Å; L219-Y256 HydrophobicContact CB-CE1 3.71Å; L219-Y256 HydrophobicContact CD1-CD1 4.08Å; L219-Y256 HydrophobicContact CD2-CD1 4.44Å; L219-Y256 HydrophobicContact CG-CD1 4.34Å; L219-Y256 WeakPolarHBondContact O-CE1 3.33Å; L219-Y256 PolarHBondContact O-OH 2.92Å; R220-Y256 HydrophobicContact CG-CD2 4.46Å; R220-Y256 HydrophobicContact CG-CE2 3.68Å; C253-Y256 WeakPolarHBondContact O-CA 3.48Å; C253-Y256 WeakPolarHBondContact O-CB 3.36Å; C253-Y256 PolarHBondContact O-N 3.47Å
257P98.3Very high98.5Very high38 Ų3843.7 Ų43.725%0.24724%0.242CC..  trans-57.5140.4178.9-27.937.2000113.5E259 F260 L288P257-E259 PolarHBondContact O-N 3.09Å; P257-E259 VanDerWaalsContact O-N 3.07Å; P257-F260 HydrophobicContact CB-CD2 4.19Å; P257-F260 HydrophobicContact CB-CE2 4.29Å; P257-F260 HydrophobicContact CG-CE2 4.31Å; P257-F260 WeakPolarHBondContact O-CD2 3.44Å; P257-F260 PolarHBondContact O-N 3.41Å; P257-F260 VanDerWaalsContact O-N 3.14Å; P257-L288 HydrophobicContact CB-CD1 3.79Å; P257-L288 HydrophobicContact CB-CD2 3.42Å; P257-L288 VanDerWaalsContact CB-CD2 3.42Å; P257-L288 HydrophobicContact CB-CG 4.27Å; P257-L288 HydrophobicContact CG-CD1 4.12Å; P257-L288 HydrophobicContact CG-CD2 3.88Å
258V98.4Very high98.5Very high62 Ų6246.7 Ų46.738%0.37625%0.252SS..Hα-helixtrans-64.4-15.5-174.567.40000113.1F260 E261 K262V258-F260 PolarHBondContact O-N 2.84Å; V258-E261 HydrophobicContact CG2-CB 4.37Å; V258-E261 WeakPolarHBondContact O-CB 3.34Å; V258-E261 PolarHBondContact O-N 3.32Å; V258-E261 VanDerWaalsContact O-N 3.11Å; V258-K262 HydrophobicContact CG2-CG 4.48Å; V258-K262 WeakPolarHBondContact O-CG 3.41Å; V258-K262 PolarHBondContact O-N 3.13Å
259E98.7Very high98.5Very high34 Ų3447.7 Ų47.716%0.15927%0.27CS..Hα-helixtrans-62.3-29.5173.9-73.856.6-125.900112.9P257 K262 Y263 I284 F285 L288P257-E259 PolarHBondContact O-N 3.09Å; P257-E259 VanDerWaalsContact O-N 3.07Å; E259-K262 IonicContact OE1-NZ 2.71Å; E259-K262 PolarHBondContact OE1-NZ 2.68Å; E259-Y263 VanDerWaalsContact O-CB 3.31Å; E259-Y263 WeakPolarHBondContact O-CB 3.4Å; E259-Y263 PolarHBondContact O-N 2.84Å; E259-I284 HydrophobicContact CB-CB 4.38Å; E259-I284 HydrophobicContact CG-CB 4.1Å; E259-F285 HydrophobicContact CB-CD1 4.23Å; E259-F285 HydrophobicContact CB-CE1 4.27Å; E259-L288 HydrophobicContact CB-CD2 3.98Å; E259-L288 HydrophobicContact CG-CB 4.12Å; E259-L288 HydrophobicContact CG-CD2 4.31Å
260F98.7Very high98.5Very high4 Ų448.2 Ų48.22%0.01827%0.272CS..Hα-helixtrans-72.4-31.4174-64.6-78.8000112.3V117 L118 F215 M216 L219 P257 V258 L264 F285 L288V117-F260 HydrophobicContact CG1-CE1 4.1Å; V117-F260 HydrophobicContact CG1-CZ 4.28Å; L118-F260 HydrophobicContact CD2-CE1 4.47Å; L118-F260 HydrophobicContact CD2-CE2 4.34Å; L118-F260 HydrophobicContact CD2-CZ 3.69Å; L118-F260 HydrophobicContact CG-CZ 4.27Å; F215-F260 HydrophobicContact CB-CD1 4.15Å; F215-F260 HydrophobicContact CB-CE1 4.09Å; M216-F260 HydrophobicContact SD-CB 3.59Å; M216-F260 VanDerWaalsContact SD-CB 3.59Å; M216-F260 HydrophobicContact SD-CD1 4.27Å; M216-F260 HydrophobicContact SD-CG 4Å; L219-F260 HydrophobicContact CD1-CD1 4Å; L219-F260 HydrophobicContact CD1-CD2 3.88Å; L219-F260 HydrophobicContact CD1-CE1 3.83Å; L219-F260 HydrophobicContact CD1-CE2 3.7Å; L219-F260 HydrophobicContact CD1-CG 4.04Å; L219-F260 HydrophobicContact CD1-CZ 3.68Å; P257-F260 HydrophobicContact CB-CD2 4.19Å; P257-F260 HydrophobicContact CB-CE2 4.29Å; P257-F260 HydrophobicContact CG-CE2 4.31Å; P257-F260 WeakPolarHBondContact O-CD2 3.44Å; P257-F260 PolarHBondContact O-N 3.41Å; P257-F260 VanDerWaalsContact O-N 3.14Å; V258-F260 PolarHBondContact O-N 2.84Å; F260-L264 WeakPolarHBondContact O-CG 3.28Å; F260-L264 PolarHBondContact O-N 2.62Å; F260-F285 AromaticContact CD1-CE1 3.51Å; F260-F285 HydrophobicContact CD1-CE1 3.51Å; F260-F285 AromaticContact CD1-CZ 3.81Å; F260-F285 HydrophobicContact CD1-CZ 3.81Å; F260-F285 HydrophobicContact CD2-CE1 4.49Å; F260-F285 HydrophobicContact CE1-CD1 4.15Å; F260-F285 AromaticContact CE1-CE1 3.45Å; F260-F285 HydrophobicContact CE1-CE1 3.45Å; F260-F285 VanDerWaalsContact CE1-CE1 3.45Å; F260-F285 AromaticContact CE1-CZ 3.87Å; F260-F285 HydrophobicContact CE1-CZ 3.87Å; F260-F285 HydrophobicContact CE2-CE1 4.44Å; F260-F285 HydrophobicContact CG-CE1 4.05Å; F260-F285 HydrophobicContact CZ-CD1 4.27Å; F260-F285 AromaticContact CZ-CE1 3.94Å; F260-F285 HydrophobicContact CZ-CE1 3.94Å; F260-L288 HydrophobicContact CE2-CD2 3.97Å
261E98.7Very high98.5Very high46 Ų4647 Ų4722%0.21528%0.275CS..Hα-helixtrans-70.9-48.9172.9-174.3-166.39900110.6P249 E250 C253 V258 Y263 L264 H265P249-E261 HydrophobicContact CB-CG 3.9Å; E250-E261 WeakPolarHBondContact CA-OE2 3.23Å; E250-E261 HydrophobicContact CG-CG 4.37Å; C253-E261 HydrophobicContact CB-CB 3.96Å; V258-E261 HydrophobicContact CG2-CB 4.37Å; V258-E261 WeakPolarHBondContact O-CB 3.34Å; V258-E261 PolarHBondContact O-N 3.32Å; V258-E261 VanDerWaalsContact O-N 3.11Å; E261-Y263 VanDerWaalsContact C-N 3.25Å; E261-Y263 PolarHBondContact O-N 2.86Å; E261-L264 PolarHBondContact O-N 2.78Å; E261-L264 VanDerWaalsContact O-N 3.09Å; E261-H265 PolarHBondContact O-N 2.82Å
262K98.6Very high98.5Very high88 Ų8845.3 Ų45.338%0.38326%0.258SS..Hα-helixtrans-55.1-39.4173.4-67.4167.7-171.3168.30112V258 E259 F266V258-K262 HydrophobicContact CG2-CG 4.48Å; V258-K262 WeakPolarHBondContact O-CG 3.41Å; V258-K262 PolarHBondContact O-N 3.13Å; E259-K262 IonicContact OE1-NZ 2.71Å; E259-K262 PolarHBondContact OE1-NZ 2.68Å; K262-F266 WeakPolarHBondContact O-CB 3.4Å; K262-F266 PolarHBondContact O-N 3.32Å
263Y98.8Very high98.5Very high1 Ų150.1 Ų50.10%0.00428%0.283CS..Hα-helixtrans-60.9-48.4174.9-176.9-79.2000111.9L125 I208 G212 F215 E259 E261 F266 A267 L281 I284 F285L125-Y263 HydrophobicContact CD1-CE2 4.26Å; L125-Y263 HydrophobicContact CD2-CE2 4.09Å; I208-Y263 HydrophobicContact CG2-CE1 4.22Å; I208-Y263 WeakPolarHBondContact O-CE1 3.48Å; I208-Y263 PolarHBondContact O-OH 3.42Å; G212-Y263 VanDerWaalsContact CA-CE1 3.42Å; F215-Y263 HydrophobicContact CE2-CD2 4.47Å; F215-Y263 HydrophobicContact CE2-CE1 4.37Å; F215-Y263 AromaticContact CE2-CE2 3.88Å; F215-Y263 HydrophobicContact CE2-CE2 3.88Å; F215-Y263 AromaticContact CE2-CZ 3.83Å; E259-Y263 VanDerWaalsContact O-CB 3.31Å; E259-Y263 WeakPolarHBondContact O-CB 3.4Å; E259-Y263 PolarHBondContact O-N 2.84Å; E261-Y263 VanDerWaalsContact C-N 3.25Å; E261-Y263 PolarHBondContact O-N 2.86Å; Y263-F266 PolarHBondContact O-N 3.26Å; Y263-A267 WeakPolarHBondContact O-CB 3.36Å; Y263-A267 PolarHBondContact O-N 2.94Å; Y263-L281 HydrophobicContact CD2-CD2 3.56Å; Y263-L281 HydrophobicContact CE2-CB 4.25Å; Y263-L281 HydrophobicContact CE2-CD2 3.72Å; Y263-L281 HydrophobicContact CE2-CG 4.39Å; Y263-L281 HydrophobicContact CG-CD2 4.23Å; Y263-I284 HydrophobicContact CD2-CD1 4.24Å; Y263-F285 HydrophobicContact CD2-CD2 4.43Å; Y263-F285 AromaticContact CD2-CE2 3.31Å; Y263-F285 HydrophobicContact CD2-CE2 3.31Å; Y263-F285 AromaticContact CD2-CZ 3.45Å; Y263-F285 HydrophobicContact CD2-CZ 3.45Å; Y263-F285 VanDerWaalsContact CD2-CZ 3.45Å; Y263-F285 AromaticContact CE2-CE2 3.7Å; Y263-F285 HydrophobicContact CE2-CE2 3.7Å; Y263-F285 HydrophobicContact CE2-CZ 4.21Å; Y263-F285 HydrophobicContact CG-CE2 4.14Å; Y263-F285 AromaticContact CG-CZ 3.81Å; Y263-F285 HydrophobicContact CG-CZ 3.81Å
264L98.7Very high98.4Very high0 Ų051.9 Ų51.90%030%0.296CS..Hα-helixtrans-69.8-36.9-178.7-74.2169.2000112.5Y213 M216 P249 L252 F260 E261 A267 R268Y213-L264 HydrophobicContact CD1-CD2 4.16Å; Y213-L264 HydrophobicContact CE1-CD2 3.99Å; M216-L264 HydrophobicContact CG-CD1 4.25Å; P249-L264 HydrophobicContact CB-CB 4.04Å; P249-L264 HydrophobicContact CG-CB 4.27Å; L252-L264 HydrophobicContact CD2-CD1 3.8Å; F260-L264 WeakPolarHBondContact O-CG 3.28Å; F260-L264 PolarHBondContact O-N 2.62Å; E261-L264 PolarHBondContact O-N 2.78Å; E261-L264 VanDerWaalsContact O-N 3.09Å; L264-A267 PolarHBondContact O-N 3.05Å; L264-R268 WeakPolarHBondContact O-CB 3.25Å; L264-R268 WeakPolarHBondContact O-CG 3.41Å; L264-R268 PolarHBondContact O-N 3.45Å
265H98.7Very high98.4Very high83 Ų8349.3 Ų49.338%0.38429%0.29SS..Hα-helixtrans-61.4-46.7170.7-83-50.2000111.8E250 E261 A267 R268 G269E250-H265 IonicContact OE1-CD2 3.56Å; E250-H265 IonicContact OE1-CE1 3.15Å; E250-H265 PolarHBondContact OE1-CE1 3.16Å; E250-H265 IonicContact OE1-NE2 2.71Å; E250-H265 PolarHBondContact OE1-NE2 3.37Å; E261-H265 PolarHBondContact O-N 2.82Å; H265-A267 PolarHBondContact O-N 2.97Å; H265-R268 PolarHBondContact O-N 3.05Å; H265-G269 PolarHBondContact O-N 3.13Å
266F98.7Very high98.4Very high57 Ų5745.8 Ų45.825%0.2525%0.252CS..Hα-helixtrans-58.8-47.2174.3-174.2-81.7000111.4K262 Y263 R268 G269 L270 D277 F280 L281K262-F266 WeakPolarHBondContact O-CB 3.4Å; K262-F266 PolarHBondContact O-N 3.32Å; Y263-F266 PolarHBondContact O-N 3.26Å; F266-R268 PolarHBondContact O-N 3.17Å; F266-G269 PolarHBondContact O-N 3.08Å; F266-L270 HydrophobicContact CD1-CD1 4.28Å; F266-L270 HydrophobicContact CD1-CG 4.4Å; F266-L270 HydrophobicContact CE1-CD1 4.06Å; F266-L270 HydrophobicContact CE1-CD2 3.94Å; F266-L270 HydrophobicContact CE1-CG 4.17Å; F266-L270 HydrophobicContact CZ-CD2 4.29Å; F266-L270 WeakPolarHBondContact O-CG 3.45Å; F266-L270 PolarHBondContact O-N 3.01Å; F266-D277 HydrophobicContact CE2-CB 4.49Å; F266-D277 HydrophobicContact CZ-CB 3.88Å; F266-F280 HydrophobicContact CB-CE1 4.23Å; F266-F280 AromaticContact CD2-CD1 3.61Å; F266-F280 HydrophobicContact CD2-CD1 3.61Å; F266-F280 AromaticContact CD2-CE1 3.47Å; F266-F280 HydrophobicContact CD2-CE1 3.47Å; F266-F280 VanDerWaalsContact CD2-CE1 3.47Å; F266-F280 HydrophobicContact CD2-CZ 4.44Å; F266-F280 AromaticContact CE2-CD1 3.71Å; F266-F280 HydrophobicContact CE2-CD1 3.71Å; F266-F280 HydrophobicContact CE2-CE1 4.04Å; F266-F280 HydrophobicContact CE2-CG 4.46Å; F266-F280 HydrophobicContact CG-CD1 4.19Å; F266-F280 AromaticContact CG-CE1 3.99Å; F266-F280 HydrophobicContact CG-CE1 3.99Å; F266-F280 HydrophobicContact CZ-CD1 4.36Å; F266-L281 HydrophobicContact CB-CD2 4.21Å; F266-L281 HydrophobicContact CD1-CD1 4.01Å; F266-L281 HydrophobicContact CD1-CD2 3.63Å; F266-L281 HydrophobicContact CD1-CG 4Å; F266-L281 HydrophobicContact CE1-CD1 3.87Å; F266-L281 HydrophobicContact CE1-CD2 4.2Å; F266-L281 HydrophobicContact CE1-CG 4.04Å; F266-L281 HydrophobicContact CG-CD2 3.99Å
267A98.6Very high98.5Very high1 Ų146.8 Ų46.81%0.00826%0.262CS..Hα-helixtrans-58.9-47.6-179.500000112.6I208 E209 Y263 L264 H265 G269I208-A267 HydrophobicContact CG2-CB 3.81Å; E209-A267 HydrophobicContact CB-CB 4.09Å; E209-A267 HydrophobicContact CG-CB 4.41Å; Y263-A267 WeakPolarHBondContact O-CB 3.36Å; Y263-A267 PolarHBondContact O-N 2.94Å; L264-A267 PolarHBondContact O-N 3.05Å; H265-A267 PolarHBondContact O-N 2.97Å; A267-G269 VanDerWaalsContact C-N 3.34Å
268R98Very high98.5Very high71 Ų7145.5 Ų45.527%0.26825%0.252SS..Hα-helixtrans-70.6-27.5179-69.7177.6177.8-171.31.7112.8E209 Y213 L264 H265 F266 L270E209-R268 HydrophobicContact CG-CG 4.28Å; Y213-R268 PolarHBondContact OH-NE 3.35Å; Y213-R268 PolarHBondContact OH-NH2 2.86Å; L264-R268 WeakPolarHBondContact O-CB 3.25Å; L264-R268 WeakPolarHBondContact O-CG 3.41Å; L264-R268 PolarHBondContact O-N 3.45Å; H265-R268 PolarHBondContact O-N 3.05Å; F266-R268 PolarHBondContact O-N 3.17Å; R268-L270 VanDerWaalsContact C-N 3.34Å; R268-L270 PolarHBondContact O-N 3.38Å
269G98.2Very high98.5Very high68 Ų6847.3 Ų47.370%0.70126%0.263SS*.Hα-helixtrans-77.5-8.6178.300000115.7H265 F266 A267H265-G269 PolarHBondContact O-N 3.13Å; F266-G269 PolarHBondContact O-N 3.08Å; A267-G269 VanDerWaalsContact C-N 3.34Å
270L98.6Very high98.4Very high17 Ų1749.2 Ų49.29%0.08927%0.271CS..  trans-72.9129.4179.6-72165.1000112.1R205 F266 R268 P276R205-L270 HydrophobicContact CB-CB 3.65Å; R205-L270 HydrophobicContact CB-CD1 3.82Å; R205-L270 HydrophobicContact CB-CG 4.4Å; R205-L270 WeakPolarHBondContact CD-O 3.36Å; R205-L270 PolarHBondContact NH1-O 2.75Å; F266-L270 HydrophobicContact CD1-CD1 4.28Å; F266-L270 HydrophobicContact CD1-CG 4.4Å; F266-L270 HydrophobicContact CE1-CD1 4.06Å; F266-L270 HydrophobicContact CE1-CD2 3.94Å; F266-L270 HydrophobicContact CE1-CG 4.17Å; F266-L270 HydrophobicContact CZ-CD2 4.29Å; F266-L270 WeakPolarHBondContact O-CG 3.45Å; F266-L270 PolarHBondContact O-N 3.01Å; R268-L270 VanDerWaalsContact C-N 3.34Å; R268-L270 PolarHBondContact O-N 3.38Å; L270-P276 HydrophobicContact CD1-CB 4.04Å; L270-P276 HydrophobicContact CD1-CG 4Å
271A98.5Very high98.4Very high51 Ų5149 Ų4942%0.42127%0.27SS..  trans-67.1157.4167.400000111D273 S274A271-D273 VanDerWaalsContact C-N 3.27Å; A271-D273 PolarHBondContact O-N 3.04Å; A271-D273 VanDerWaalsContact O-N 3.17Å; A271-S274 WeakPolarHBondContact CB-OG 3.41Å; A271-S274 PolarHBondContact N-OG 2.76Å; A271-S274 VanDerWaalsContact O-CB 3.31Å; A271-S274 WeakPolarHBondContact O-CB 3.49Å; A271-S274 PolarHBondContact O-N 3.4Å; A271-S274 PolarHBondContact O-OG 2.84Å
272F98.6Very high98.4Very high22 Ų2247 Ų4710%0.09626%0.26CS..THydrogen-bonded Turntrans-56.1-35.9-170.9166.8-104.7000114.2H176 I177 Y179 E201 S203H176-F272 AromaticContact CE1-CE1 3.65Å; H176-F272 AromaticContact CE1-CZ 3.78Å; H176-F272 PolarHBondContact CE1-O 3.29Å; H176-F272 AromaticContact ND1-CE1 3.45Å; H176-F272 WeakPolarHBondContact ND1-CE1 3.42Å; H176-F272 AromaticContact ND1-CZ 3.88Å; I177-F272 HydrophobicContact CD1-CZ 4.42Å; I177-F272 HydrophobicContact CG1-CZ 4.08Å; I177-F272 VanDerWaalsContact O-CE1 3.32Å; I177-F272 WeakPolarHBondContact O-CE1 3.38Å; Y179-F272 VanDerWaalsContact CA-CE1 3.47Å; Y179-F272 HydrophobicContact CD2-CB 4.18Å; Y179-F272 HydrophobicContact CD2-CD1 4.1Å; Y179-F272 HydrophobicContact CD2-CD2 4.23Å; Y179-F272 AromaticContact CD2-CG 3.91Å; Y179-F272 HydrophobicContact CD2-CG 3.91Å; E201-F272 HydrophobicContact CB-CE2 4.35Å; E201-F272 HydrophobicContact CG-CE2 4.48Å; E201-F272 VanDerWaalsContact O-CE2 3.28Å; E201-F272 WeakPolarHBondContact O-CE2 3.17Å; S203-F272 WeakPolarHBondContact CB-O 3.35Å; S203-F272 PolarHBondContact OG-O 3.02Å
273D98Very high98.4Very high102 Ų10243.4 Ų43.455%0.54525%0.248SC..THydrogen-bonded Turntrans-101.54.7-179.367-24.1000114H176 R204 A271H176-D273 HydrophobicContact CB-CB 4.3Å; R204-D273 VanDerWaalsContact NH2-C 3.26Å; R204-D273 PolarHBondContact NH2-O 3.3Å; A271-D273 VanDerWaalsContact C-N 3.27Å; A271-D273 PolarHBondContact O-N 3.04Å; A271-D273 VanDerWaalsContact O-N 3.17Å
274S97.7Very high98.4Very high40 Ų4043.6 Ų43.628%0.2825%0.249SC..PPolyproline II helixtrans-64.9149.4-179.5-71.50000113.3R204 A271 P276R204-S274 PolarHBondContact NE-O 3.07Å; R204-S274 PolarHBondContact NH1-O 2.96Å; R204-S274 VanDerWaalsContact NH1-O 3.1Å; R204-S274 PolarHBondContact NH2-O 3.18Å; A271-S274 WeakPolarHBondContact CB-OG 3.41Å; A271-S274 PolarHBondContact N-OG 2.76Å; A271-S274 VanDerWaalsContact O-CB 3.31Å; A271-S274 WeakPolarHBondContact O-CB 3.49Å; A271-S274 PolarHBondContact O-N 3.4Å; A271-S274 PolarHBondContact O-OG 2.84Å; S274-P276 WeakPolarHBondContact O-CD 3.4Å
275L97.9Very high98.4Very high119 Ų11943.8 Ų43.862%0.62325%0.25SC*.PPolyproline II helixtrans-87117.8164.7-177.864.8000108.7R204 Y278R204-L275 VanDerWaalsContact NH1-CA 3.32Å; L275-Y278 HydrophobicContact CD1-CE2 4.06Å
276P98.6Very high98.4Very high3 Ų345.1 Ų45.12%0.01925%0.251CS..PPolyproline II helixtrans-60.9140.4171.4-18.429000110.9R204 I208 L270 S274 Y278 L281R204-P276 HydrophobicContact CB-CG 3.96Å; I208-P276 HydrophobicContact CG1-CB 4.27Å; I208-P276 HydrophobicContact CG1-CG 4.12Å; L270-P276 HydrophobicContact CD1-CB 4.04Å; L270-P276 HydrophobicContact CD1-CG 4Å; S274-P276 WeakPolarHBondContact O-CD 3.4Å; P276-Y278 HydrophobicContact CB-CD1 4.44Å; P276-Y278 HydrophobicContact CB-CE1 3.98Å; P276-Y278 HydrophobicContact CB-CE2 4.37Å; P276-Y278 WeakPolarHBondContact CD-OH 3.38Å; P276-Y278 HydrophobicContact CG-CE1 4.21Å; P276-Y278 WeakPolarHBondContact O-CD2 3.24Å; P276-Y278 WeakPolarHBondContact O-CE2 3.49Å; P276-Y278 PolarHBondContact O-N 3.06Å; P276-L281 HydrophobicContact CB-CD1 4.39Å
277D98.6Very high98.4Very high76 Ų7649 Ų4941%0.40626%0.264SS..  trans-83.689.9170-175.6-7.9000110F266 V279 F280 L281F266-D277 HydrophobicContact CE2-CB 4.49Å; F266-D277 HydrophobicContact CZ-CB 3.88Å; D277-V279 PolarHBondContact O-N 3.14Å; D277-V279 WeakPolarHBondContact OD1-CA 3.4Å; D277-V279 VanDerWaalsContact OD1-CB 3.31Å; D277-V279 WeakPolarHBondContact OD1-CB 3.44Å; D277-V279 PolarHBondContact OD1-N 3.48Å; D277-F280 HydrophobicContact CB-CB 3.93Å; D277-F280 VanDerWaalsContact CG-CB 3.43Å; D277-F280 PolarHBondContact O-N 2.9Å; D277-F280 PolarHBondContact OD1-N 3.44Å; D277-F280 VanDerWaalsContact OD2-CB 3.29Å; D277-F280 WeakPolarHBondContact OD2-CB 3.1Å; D277-L281 WeakPolarHBondContact O-CB 3.22Å; D277-L281 VanDerWaalsContact O-CG 3.28Å; D277-L281 WeakPolarHBondContact O-CG 3.47Å; D277-L281 PolarHBondContact O-N 3.48Å
278Y98.6Very high98.4Very high11 Ų1149.5 Ų49.54%0.04327%0.267CS..Hα-helixtrans-65.9-20.8176.1-44.5-87.3000112.7I128 E129 H132 I208 L275 P276 R282I128-Y278 HydrophobicContact CG2-CE1 4.49Å; E129-Y278 HydrophobicContact CB-CD1 3.77Å; E129-Y278 HydrophobicContact CB-CD2 4.11Å; E129-Y278 HydrophobicContact CB-CE1 4Å; E129-Y278 HydrophobicContact CB-CE2 4.34Å; E129-Y278 HydrophobicContact CB-CG 3.83Å; E129-Y278 VanDerWaalsContact CD-CD2 3.43Å; E129-Y278 HydrophobicContact CG-CD1 4.2Å; E129-Y278 HydrophobicContact CG-CD2 3.58Å; E129-Y278 HydrophobicContact CG-CE1 4.41Å; E129-Y278 HydrophobicContact CG-CE2 3.84Å; E129-Y278 HydrophobicContact CG-CG 3.79Å; E129-Y278 WeakPolarHBondContact OE1-CD2 3.38Å; H132-Y278 WeakPolarHBondContact CB-OH 3.46Å; H132-Y278 AromaticContact ND1-CE1 3.76Å; H132-Y278 AromaticContact ND1-CZ 3.69Å; H132-Y278 PolarHBondContact ND1-OH 3.07Å; I208-Y278 HydrophobicContact CD1-CD1 4.27Å; I208-Y278 HydrophobicContact CD1-CE1 4.05Å; L275-Y278 HydrophobicContact CD1-CE2 4.06Å; P276-Y278 HydrophobicContact CB-CD1 4.44Å; P276-Y278 HydrophobicContact CB-CE1 3.98Å; P276-Y278 HydrophobicContact CB-CE2 4.37Å; P276-Y278 WeakPolarHBondContact CD-OH 3.38Å; P276-Y278 HydrophobicContact CG-CE1 4.21Å; P276-Y278 WeakPolarHBondContact O-CD2 3.24Å; P276-Y278 WeakPolarHBondContact O-CE2 3.49Å; P276-Y278 PolarHBondContact O-N 3.06Å; Y278-R282 WeakPolarHBondContact O-CB 3.28Å; Y278-R282 WeakPolarHBondContact O-CG 3.43Å; Y278-R282 PolarHBondContact O-N 3.07Å; Y278-R282 PolarHBondContact O-NE 2.9Å; Y278-R282 VanDerWaalsContact O-NE 3.15Å; Y278-R282 PolarHBondContact O-NH2 2.68Å
279V98.4Very high98.4Very high100 Ų10047.2 Ų47.261%0.60626%0.259SS*.Hα-helixtrans-75.3-44.1176.7-176.70000109.8D277 G283D277-V279 PolarHBondContact O-N 3.14Å; D277-V279 WeakPolarHBondContact OD1-CA 3.4Å; D277-V279 VanDerWaalsContact OD1-CB 3.31Å; D277-V279 WeakPolarHBondContact OD1-CB 3.44Å; D277-V279 PolarHBondContact OD1-N 3.48Å; V279-G283 WeakPolarHBondContact O-CA 3.49Å; V279-G283 PolarHBondContact O-N 2.97Å
280F98.4Very high98.4Very high74 Ų7450.2 Ų50.233%0.32526%0.255SS..Hα-helixtrans-60-49.4168.8172.1-97.1000111.9F266 D277 R282 G283 I284F266-F280 HydrophobicContact CB-CE1 4.23Å; F266-F280 AromaticContact CD2-CD1 3.61Å; F266-F280 HydrophobicContact CD2-CD1 3.61Å; F266-F280 AromaticContact CD2-CE1 3.47Å; F266-F280 HydrophobicContact CD2-CE1 3.47Å; F266-F280 VanDerWaalsContact CD2-CE1 3.47Å; F266-F280 HydrophobicContact CD2-CZ 4.44Å; F266-F280 AromaticContact CE2-CD1 3.71Å; F266-F280 HydrophobicContact CE2-CD1 3.71Å; F266-F280 HydrophobicContact CE2-CE1 4.04Å; F266-F280 HydrophobicContact CE2-CG 4.46Å; F266-F280 HydrophobicContact CG-CD1 4.19Å; F266-F280 AromaticContact CG-CE1 3.99Å; F266-F280 HydrophobicContact CG-CE1 3.99Å; F266-F280 HydrophobicContact CZ-CD1 4.36Å; D277-F280 HydrophobicContact CB-CB 3.93Å; D277-F280 VanDerWaalsContact CG-CB 3.43Å; D277-F280 PolarHBondContact O-N 2.9Å; D277-F280 PolarHBondContact OD1-N 3.44Å; D277-F280 VanDerWaalsContact OD2-CB 3.29Å; D277-F280 WeakPolarHBondContact OD2-CB 3.1Å; F280-R282 PolarHBondContact O-N 3.22Å; F280-G283 CarbonylContact O-C 3.59Å; F280-G283 WeakPolarHBondContact O-CA 3.46Å; F280-G283 PolarHBondContact O-N 2.71Å; F280-I284 HydrophobicContact CE1-CD1 4.47Å; F280-I284 HydrophobicContact CE1-CG2 4.27Å; F280-I284 HydrophobicContact CE2-CG2 3.98Å; F280-I284 HydrophobicContact CZ-CG2 3.84Å; F280-I284 PolarHBondContact O-N 2.78Å
281L98.6Very high98.4Very high0 Ų053.3 Ų53.30%028%0.278CS..Hα-helixtrans-64.3-35.8-176.5-70.7169.1000113.3L125 I208 Y263 F266 P276 D277 I284 F285L125-L281 HydrophobicContact CD1-CB 4.11Å; L125-L281 HydrophobicContact CD2-CB 4.25Å; L125-L281 HydrophobicContact CD2-CD1 4.46Å; I208-L281 HydrophobicContact CD1-CD1 4.23Å; I208-L281 HydrophobicContact CG2-CD1 4.02Å; Y263-L281 HydrophobicContact CD2-CD2 3.56Å; Y263-L281 HydrophobicContact CE2-CB 4.25Å; Y263-L281 HydrophobicContact CE2-CD2 3.72Å; Y263-L281 HydrophobicContact CE2-CG 4.39Å; Y263-L281 HydrophobicContact CG-CD2 4.23Å; F266-L281 HydrophobicContact CB-CD2 4.21Å; F266-L281 HydrophobicContact CD1-CD1 4.01Å; F266-L281 HydrophobicContact CD1-CD2 3.63Å; F266-L281 HydrophobicContact CD1-CG 4Å; F266-L281 HydrophobicContact CE1-CD1 3.87Å; F266-L281 HydrophobicContact CE1-CD2 4.2Å; F266-L281 HydrophobicContact CE1-CG 4.04Å; F266-L281 HydrophobicContact CG-CD2 3.99Å; P276-L281 HydrophobicContact CB-CD1 4.39Å; D277-L281 WeakPolarHBondContact O-CB 3.22Å; D277-L281 VanDerWaalsContact O-CG 3.28Å; D277-L281 WeakPolarHBondContact O-CG 3.47Å; D277-L281 PolarHBondContact O-N 3.48Å; L281-I284 WeakPolarHBondContact O-CG1 3.21Å; L281-F285 WeakPolarHBondContact O-CD2 3.48Å
282R98.6Very high98.4Very high4 Ų454.2 Ų54.22%0.01528%0.275CS..Hα-helixtrans-73.4-39.5167.3-74.2179.6-69.3-110.6-2.4111.7E122 L125 E129 Y278 F280 I284 F285 R286E122-R282 WeakPolarHBondContact OE1-CD 3.47Å; E122-R282 WeakPolarHBondContact OE2-CD 3.42Å; E122-R282 WeakPolarHBondContact OE2-CG 3.38Å; L125-R282 HydrophobicContact CB-CG 3.94Å; L125-R282 HydrophobicContact CD1-CG 3.72Å; L125-R282 HydrophobicContact CG-CG 4.48Å; E129-R282 IonicContact OE1-NH2 3.55Å; E129-R282 IonicContact OE2-CZ 3.99Å; E129-R282 IonicContact OE2-NH1 3.73Å; E129-R282 PolarHBondContact OE2-NH1 3.01Å; E129-R282 IonicContact OE2-NH2 2.69Å; E129-R282 PolarHBondContact OE2-NH2 3.13Å; Y278-R282 WeakPolarHBondContact O-CB 3.28Å; Y278-R282 WeakPolarHBondContact O-CG 3.43Å; Y278-R282 PolarHBondContact O-N 3.07Å; Y278-R282 PolarHBondContact O-NE 2.9Å; Y278-R282 VanDerWaalsContact O-NE 3.15Å; Y278-R282 PolarHBondContact O-NH2 2.68Å; F280-R282 PolarHBondContact O-N 3.22Å; R282-I284 VanDerWaalsContact C-N 3.33Å; R282-I284 PolarHBondContact O-N 2.9Å; R282-F285 PolarHBondContact O-N 2.91Å; R282-F285 VanDerWaalsContact O-N 3.17Å; R282-R286 WeakPolarHBondContact O-CB 3.49Å; R282-R286 VanDerWaalsContact O-CG 3.29Å; R282-R286 WeakPolarHBondContact O-CG 3.36Å; R282-R286 PolarHBondContact O-N 3.39Å
283G98.6Very high98.3Very high11 Ų1160 Ų6011%0.11331%0.307CS..Hα-helixtrans-57.6-38.4-178.400000114.1V279 F280 R287V279-G283 WeakPolarHBondContact O-CA 3.49Å; V279-G283 PolarHBondContact O-N 2.97Å; F280-G283 CarbonylContact O-C 3.59Å; F280-G283 WeakPolarHBondContact O-CA 3.46Å; F280-G283 PolarHBondContact O-N 2.71Å; G283-R287 WeakPolarHBondContact O-CG 2.99Å; G283-R287 VanDerWaalsContact O-CZ 3.31Å; G283-R287 PolarHBondContact O-N 3.49Å; G283-R287 VanDerWaalsContact O-N 3.13Å; G283-R287 PolarHBondContact O-NE 3.11Å
284I98.5Very high98.4Very high6 Ų658.1 Ų58.13%0.03129%0.294CS..Hα-helixtrans-63.2-47.4174.254.1175.7000111.8E259 Y263 F280 L281 R282 R287 L288E259-I284 HydrophobicContact CB-CB 4.38Å; E259-I284 HydrophobicContact CG-CB 4.1Å; Y263-I284 HydrophobicContact CD2-CD1 4.24Å; F280-I284 HydrophobicContact CE1-CD1 4.47Å; F280-I284 HydrophobicContact CE1-CG2 4.27Å; F280-I284 HydrophobicContact CE2-CG2 3.98Å; F280-I284 HydrophobicContact CZ-CG2 3.84Å; F280-I284 PolarHBondContact O-N 2.78Å; L281-I284 WeakPolarHBondContact O-CG1 3.21Å; R282-I284 VanDerWaalsContact C-N 3.33Å; R282-I284 PolarHBondContact O-N 2.9Å; I284-R287 PolarHBondContact O-N 2.8Å; I284-L288 PolarHBondContact O-N 3.04Å; I284-L288 VanDerWaalsContact O-N 3.14Å
285F98.7Very high98.3Very high4 Ų461 Ų612%0.01831%0.309CS..Hα-helixtrans-71.8-35.6-179.7-65.7-42.5000113.3L118 A121 L125 F215 E259 F260 Y263 L281 R282 L288 F289L118-F285 HydrophobicContact CD2-CB 3.67Å; L118-F285 HydrophobicContact CD2-CD1 3.49Å; L118-F285 VanDerWaalsContact CD2-CD1 3.49Å; L118-F285 HydrophobicContact CD2-CE1 4.39Å; L118-F285 HydrophobicContact CD2-CG 3.82Å; A121-F285 HydrophobicContact CB-CD2 3.87Å; A121-F285 HydrophobicContact CB-CE2 4.12Å; A121-F285 HydrophobicContact CB-CG 4.48Å; L125-F285 HydrophobicContact CD1-CD2 4.21Å; L125-F285 HydrophobicContact CD1-CE2 4.4Å; F215-F285 HydrophobicContact CD2-CE2 4.02Å; F215-F285 AromaticContact CD2-CZ 4Å; F215-F285 HydrophobicContact CD2-CZ 4Å; F215-F285 AromaticContact CE2-CE2 3.68Å; F215-F285 HydrophobicContact CE2-CE2 3.68Å; F215-F285 HydrophobicContact CE2-CZ 4.15Å; E259-F285 HydrophobicContact CB-CD1 4.23Å; E259-F285 HydrophobicContact CB-CE1 4.27Å; F260-F285 AromaticContact CD1-CE1 3.51Å; F260-F285 HydrophobicContact CD1-CE1 3.51Å; F260-F285 AromaticContact CD1-CZ 3.81Å; F260-F285 HydrophobicContact CD1-CZ 3.81Å; F260-F285 HydrophobicContact CD2-CE1 4.49Å; F260-F285 HydrophobicContact CE1-CD1 4.15Å; F260-F285 AromaticContact CE1-CE1 3.45Å; F260-F285 HydrophobicContact CE1-CE1 3.45Å; F260-F285 VanDerWaalsContact CE1-CE1 3.45Å; F260-F285 AromaticContact CE1-CZ 3.87Å; F260-F285 HydrophobicContact CE1-CZ 3.87Å; F260-F285 HydrophobicContact CE2-CE1 4.44Å; F260-F285 HydrophobicContact CG-CE1 4.05Å; F260-F285 HydrophobicContact CZ-CD1 4.27Å; F260-F285 AromaticContact CZ-CE1 3.94Å; F260-F285 HydrophobicContact CZ-CE1 3.94Å; Y263-F285 HydrophobicContact CD2-CD2 4.43Å; Y263-F285 AromaticContact CD2-CE2 3.31Å; Y263-F285 HydrophobicContact CD2-CE2 3.31Å; Y263-F285 AromaticContact CD2-CZ 3.45Å; Y263-F285 HydrophobicContact CD2-CZ 3.45Å; Y263-F285 VanDerWaalsContact CD2-CZ 3.45Å; Y263-F285 AromaticContact CE2-CE2 3.7Å; Y263-F285 HydrophobicContact CE2-CE2 3.7Å; Y263-F285 HydrophobicContact CE2-CZ 4.21Å; Y263-F285 HydrophobicContact CG-CE2 4.14Å; Y263-F285 AromaticContact CG-CZ 3.81Å; Y263-F285 HydrophobicContact CG-CZ 3.81Å; L281-F285 WeakPolarHBondContact O-CD2 3.48Å; R282-F285 PolarHBondContact O-N 2.91Å; R282-F285 VanDerWaalsContact O-N 3.17Å; F285-L288 PolarHBondContact O-N 2.93Å; F285-F289 WeakPolarHBondContact O-CB 3.48Å; F285-F289 PolarHBondContact O-N 3.31Å
286R98.5Very high98.1Very high110 Ų11059.9 Ų59.942%0.41530%0.304SS..Hα-helixtrans-61.8-43.9173.5-71.2172.4-174.6-173.8-1.6112E122 R282 F289 Q290E122-R286 IonicContact OE1-CZ 3.15Å; E122-R286 IonicContact OE1-NE 2.68Å; E122-R286 IonicContact OE1-NH2 2.72Å; E122-R286 PolarHBondContact OE1-NH2 2.92Å; E122-R286 IonicContact OE2-CZ 2.69Å; E122-R286 IonicContact OE2-NE 3.65Å; E122-R286 PolarHBondContact OE2-NE 2.64Å; E122-R286 IonicContact OE2-NH2 3.63Å; E122-R286 PolarHBondContact OE2-NH2 2.97Å; R282-R286 WeakPolarHBondContact O-CB 3.49Å; R282-R286 VanDerWaalsContact O-CG 3.29Å; R282-R286 WeakPolarHBondContact O-CG 3.36Å; R282-R286 PolarHBondContact O-N 3.39Å; R286-F289 PolarHBondContact O-N 3.43Å; R286-Q290 WeakPolarHBondContact O-CG 3.46Å; R286-Q290 PolarHBondContact O-N 3.32Å
287R98.6Very high98Very high139 Ų13963.2 Ų63.253%0.52532%0.321SS..Hα-helixtrans-63.1-42.7175.8-75.7-175.7-65-98.61.8111.8G283 I284 Q290 S291G283-R287 WeakPolarHBondContact O-CG 2.99Å; G283-R287 VanDerWaalsContact O-CZ 3.31Å; G283-R287 PolarHBondContact O-N 3.49Å; G283-R287 VanDerWaalsContact O-N 3.13Å; G283-R287 PolarHBondContact O-NE 3.11Å; I284-R287 PolarHBondContact O-N 2.8Å; R287-Q290 PolarHBondContact O-N 3.31Å; R287-S291 PolarHBondContact O-N 3.15Å; R287-S291 PolarHBondContact O-OG 2.94Å
288L98.6Very high97.8Very high11 Ų1163.7 Ų63.76%0.05832%0.318CS..Hα-helixtrans-63.5-41.8175.6176.261.1000112.7L118 P257 E259 F260 I284 F285 Q290 S291 L292L118-L288 HydrophobicContact CD1-CD2 4.08Å; L118-L288 HydrophobicContact CD1-CG 3.98Å; L118-L288 HydrophobicContact CD2-CD2 3.93Å; L118-L288 HydrophobicContact CD2-CG 4.48Å; P257-L288 HydrophobicContact CB-CD1 3.79Å; P257-L288 HydrophobicContact CB-CD2 3.42Å; P257-L288 VanDerWaalsContact CB-CD2 3.42Å; P257-L288 HydrophobicContact CB-CG 4.27Å; P257-L288 HydrophobicContact CG-CD1 4.12Å; P257-L288 HydrophobicContact CG-CD2 3.88Å; E259-L288 HydrophobicContact CB-CD2 3.98Å; E259-L288 HydrophobicContact CG-CB 4.12Å; E259-L288 HydrophobicContact CG-CD2 4.31Å; F260-L288 HydrophobicContact CE2-CD2 3.97Å; I284-L288 PolarHBondContact O-N 3.04Å; I284-L288 VanDerWaalsContact O-N 3.14Å; F285-L288 PolarHBondContact O-N 2.93Å; L288-Q290 VanDerWaalsContact C-N 3.3Å; L288-Q290 PolarHBondContact O-N 3.15Å; L288-S291 WeakPolarHBondContact CA-OG 3.23Å; L288-S291 PolarHBondContact O-N 3.37Å; L288-S291 PolarHBondContact O-OG 3.39Å; L288-S291 VanDerWaalsContact O-OG 3.04Å; L288-L292 HydrophobicContact CD1-CD1 3.77Å; L288-L292 HydrophobicContact CD1-CG 3.99Å; L288-L292 HydrophobicContact CG-CD1 3.99Å; L288-L292 WeakPolarHBondContact O-CB 3.37Å; L288-L292 VanDerWaalsContact O-CG 3.3Å; L288-L292 WeakPolarHBondContact O-CG 3.33Å; L288-L292 PolarHBondContact O-N 2.97Å
289F98.6Very high97.6Very high23 Ų2365.1 Ų65.110%0.10133%0.328CS..Hα-helixtrans-59.6-42.2175.9-169.9-89.3000111.4K115 L118 T119 F285 R286 F294 V295 L296K115-F289 HydrophobicContact CG-CE2 4Å; K115-F289 HydrophobicContact CG-CZ 4.44Å; L118-F289 HydrophobicContact CB-CD2 3.81Å; L118-F289 HydrophobicContact CD1-CB 4.28Å; L118-F289 HydrophobicContact CD1-CD2 4.27Å; T119-F289 WeakPolarHBondContact OG1-CE2 3.42Å; F285-F289 WeakPolarHBondContact O-CB 3.48Å; F285-F289 PolarHBondContact O-N 3.31Å; R286-F289 PolarHBondContact O-N 3.43Å; F289-F294 HydrophobicContact CD1-CB 3.84Å; F289-F294 HydrophobicContact CD2-CB 3.87Å; F289-F294 AromaticContact CD2-CD2 3.77Å; F289-F294 HydrophobicContact CD2-CD2 3.77Å; F289-F294 HydrophobicContact CD2-CG 4.34Å; F289-F294 HydrophobicContact CE1-CB 3.63Å; F289-F294 WeakPolarHBondContact CE1-O 3.45Å; F289-F294 HydrophobicContact CE2-CB 3.65Å; F289-F294 HydrophobicContact CE2-CD2 4.05Å; F289-F294 HydrophobicContact CE2-CG 4.31Å; F289-F294 HydrophobicContact CG-CB 3.96Å; F289-F294 HydrophobicContact CG-CD2 4.27Å; F289-F294 HydrophobicContact CZ-CB 3.54Å; F289-F294 PolarHBondContact O-N 3.17Å; F289-F294 VanDerWaalsContact O-N 3.11Å; F289-V295 WeakPolarHBondContact CZ-O 3.05Å; F289-L296 HydrophobicContact CE1-CB 4.02Å; F289-L296 HydrophobicContact CZ-CB 4.22Å; F289-L296 HydrophobicContact CZ-CD1 4.18Å
290Q98.2Very high97.5Very high132 Ų13260.4 Ų60.462%0.61730%0.299SS*.Hα-helixtrans-67.1-45.7174.9-70.9168.4-21.800112.4R286 R287 L288 L292 N293R286-Q290 WeakPolarHBondContact O-CG 3.46Å; R286-Q290 PolarHBondContact O-N 3.32Å; R287-Q290 PolarHBondContact O-N 3.31Å; L288-Q290 VanDerWaalsContact C-N 3.3Å; L288-Q290 PolarHBondContact O-N 3.15Å; Q290-L292 PolarHBondContact O-N 2.98Å; Q290-N293 WeakPolarHBondContact O-CA 3.43Å; Q290-N293 PolarHBondContact O-N 2.79Å
291S98.2Very high97.5Very high82 Ų8258.1 Ų58.157%0.57329%0.29SS*.Hα-helixtrans-68.3-20.7179.761.90000113.9R287 L288 N293R287-S291 PolarHBondContact O-N 3.15Å; R287-S291 PolarHBondContact O-OG 2.94Å; L288-S291 WeakPolarHBondContact CA-OG 3.23Å; L288-S291 PolarHBondContact O-N 3.37Å; L288-S291 PolarHBondContact O-OG 3.39Å; L288-S291 VanDerWaalsContact O-OG 3.04Å; S291-N293 VanDerWaalsContact C-N 3.28Å
292L97.9Very high97.3Very high69 Ų6958.1 Ų58.136%0.36129%0.29SS..THydrogen-bonded Turntrans-875.1170.8-66.1173.8000113A114 L118 L288 Q290 F294A114-L292 HydrophobicContact CB-CD1 4.47Å; L118-L292 HydrophobicContact CD1-CD1 4.3Å; L288-L292 HydrophobicContact CD1-CD1 3.77Å; L288-L292 HydrophobicContact CD1-CG 3.99Å; L288-L292 HydrophobicContact CG-CD1 3.99Å; L288-L292 WeakPolarHBondContact O-CB 3.37Å; L288-L292 VanDerWaalsContact O-CG 3.3Å; L288-L292 WeakPolarHBondContact O-CG 3.33Å; L288-L292 PolarHBondContact O-N 2.97Å; Q290-L292 PolarHBondContact O-N 2.98Å; L292-F294 HydrophobicContact CB-CD1 4.2Å; L292-F294 HydrophobicContact CB-CD2 3.87Å; L292-F294 HydrophobicContact CB-CE1 4.03Å; L292-F294 HydrophobicContact CB-CE2 3.69Å; L292-F294 HydrophobicContact CB-CG 4.14Å; L292-F294 HydrophobicContact CB-CZ 3.77Å; L292-F294 HydrophobicContact CD1-CD2 4.27Å; L292-F294 HydrophobicContact CD1-CE2 3.48Å; L292-F294 VanDerWaalsContact CD1-CE2 3.48Å; L292-F294 HydrophobicContact CD1-CZ 3.83Å; L292-F294 HydrophobicContact CG-CE2 4.23Å; L292-F294 HydrophobicContact CG-CZ 4.37Å; L292-F294 WeakPolarHBondContact O-CD1 3.31Å; L292-F294 PolarHBondContact O-N 2.68Å
293N97.8Very high97Very high143 Ų14358.3 Ų58.377%0.76529%0.293SS*.THydrogen-bonded Turntrans54.831.8-178.1-58.1-71.6000113.9Q290 S291Q290-N293 WeakPolarHBondContact O-CA 3.43Å; Q290-N293 PolarHBondContact O-N 2.79Å; S291-N293 VanDerWaalsContact C-N 3.28Å
294F98.1Very high96.6Very high63 Ų6362.3 Ų62.328%0.27631%0.311SS..  trans-77.7141.4177.3-63.6-28.2000111.7A114 K115 L118 F289 L292A114-F294 HydrophobicContact CB-CE2 4.01Å; A114-F294 HydrophobicContact CB-CZ 4.17Å; K115-F294 HydrophobicContact CB-CD1 4.27Å; K115-F294 HydrophobicContact CB-CD2 3.84Å; K115-F294 HydrophobicContact CB-CE1 4.29Å; K115-F294 HydrophobicContact CB-CE2 3.86Å; K115-F294 HydrophobicContact CB-CG 4.06Å; K115-F294 HydrophobicContact CB-CZ 4.09Å; K115-F294 HydrophobicContact CG-CB 4.23Å; K115-F294 HydrophobicContact CG-CD1 4.46Å; K115-F294 HydrophobicContact CG-CD2 4.16Å; K115-F294 HydrophobicContact CG-CG 4.05Å; L118-F294 HydrophobicContact CD1-CD2 4.35Å; L118-F294 HydrophobicContact CD1-CE2 4.19Å; F289-F294 HydrophobicContact CD1-CB 3.84Å; F289-F294 HydrophobicContact CD2-CB 3.87Å; F289-F294 AromaticContact CD2-CD2 3.77Å; F289-F294 HydrophobicContact CD2-CD2 3.77Å; F289-F294 HydrophobicContact CD2-CG 4.34Å; F289-F294 HydrophobicContact CE1-CB 3.63Å; F289-F294 WeakPolarHBondContact CE1-O 3.45Å; F289-F294 HydrophobicContact CE2-CB 3.65Å; F289-F294 HydrophobicContact CE2-CD2 4.05Å; F289-F294 HydrophobicContact CE2-CG 4.31Å; F289-F294 HydrophobicContact CG-CB 3.96Å; F289-F294 HydrophobicContact CG-CD2 4.27Å; F289-F294 HydrophobicContact CZ-CB 3.54Å; F289-F294 PolarHBondContact O-N 3.17Å; F289-F294 VanDerWaalsContact O-N 3.11Å; L292-F294 HydrophobicContact CB-CD1 4.2Å; L292-F294 HydrophobicContact CB-CD2 3.87Å; L292-F294 HydrophobicContact CB-CE1 4.03Å; L292-F294 HydrophobicContact CB-CE2 3.69Å; L292-F294 HydrophobicContact CB-CG 4.14Å; L292-F294 HydrophobicContact CB-CZ 3.77Å; L292-F294 HydrophobicContact CD1-CD2 4.27Å; L292-F294 HydrophobicContact CD1-CE2 3.48Å; L292-F294 VanDerWaalsContact CD1-CE2 3.48Å; L292-F294 HydrophobicContact CD1-CZ 3.83Å; L292-F294 HydrophobicContact CG-CE2 4.23Å; L292-F294 HydrophobicContact CG-CZ 4.37Å; L292-F294 WeakPolarHBondContact O-CD1 3.31Å; L292-F294 PolarHBondContact O-N 2.68Å
295V96.4Very high95.9Very high100 Ų10065.5 Ų65.561%0.60633%0.328SS*.  trans-93.7134.6173.7-178.30000109.6K115 F289 D297K115-V295 VanDerWaalsContact CE-O 3.31Å; K115-V295 WeakPolarHBondContact CE-O 3.46Å; F289-V295 WeakPolarHBondContact CZ-O 3.05Å; V295-D297 HydrophobicContact CG1-CB 4.21Å; V295-D297 PolarHBondContact O-N 2.67Å
296L94.2Very high94.3Very high97 Ų9766.6 Ų66.651%0.50834%0.34SS..  trans-83.866.8176.2-171.263.4000110.8T119 F289 Y298T119-L296 HydrophobicContact CG2-CD1 3.93Å; F289-L296 HydrophobicContact CE1-CB 4.02Å; F289-L296 HydrophobicContact CZ-CB 4.22Å; F289-L296 HydrophobicContact CZ-CD1 4.18Å; L296-Y298 HydrophobicContact CD1-CE1 4.49Å; L296-Y298 HydrophobicContact CG-CE2 4.35Å
297D95.4Very high92.2Very high72 Ų7263.6 Ų63.639%0.38533%0.334SS..SBendtrans-90.7-7.1-179.955.617000113.6K115 V295 V299K115-D297 VanDerWaalsContact CE-OD1 3.24Å; K115-D297 WeakPolarHBondContact CE-OD1 3.38Å; K115-D297 IonicContact NZ-OD1 2.68Å; K115-D297 PolarHBondContact NZ-OD1 3.07Å; K115-D297 IonicContact NZ-OD2 3.25Å; K115-D297 PolarHBondContact NZ-OD2 2.78Å; V295-D297 HydrophobicContact CG1-CB 4.21Å; V295-D297 PolarHBondContact O-N 2.67Å; D297-V299 HydrophobicContact CB-CG2 4.05Å; D297-V299 PolarHBondContact O-N 2.91Å; D297-V299 WeakPolarHBondContact OD1-CB 3.47Å; D297-V299 PolarHBondContact OD1-N 2.83Å
298Y94.8Very high89.7Confident87 Ų8762.2 Ų62.234%0.34134%0.337SS..  trans5822.2-169.2-55.1-89.5000114.9T119 N155 L296 Y300T119-Y298 HydrophobicContact CG2-CD1 4.34Å; N155-Y298 HydrophobicContact CB-CD1 4.14Å; N155-Y298 HydrophobicContact CB-CG 4.05Å; L296-Y298 HydrophobicContact CD1-CE1 4.49Å; L296-Y298 HydrophobicContact CG-CE2 4.35Å; Y298-Y300 WeakPolarHBondContact O-CD2 3.44Å; Y298-Y300 WeakPolarHBondContact O-CE2 3.37Å; Y298-Y300 PolarHBondContact O-N 3.02Å
299V95Very high87.1Confident40 Ų4064.2 Ų64.224%0.24235%0.352CS..  trans-86.495171.5-177.20000108.7K115 D297 A303 L304K115-V299 PolarHBondContact NZ-O 2.92Å; D297-V299 HydrophobicContact CB-CG2 4.05Å; D297-V299 PolarHBondContact O-N 2.91Å; D297-V299 WeakPolarHBondContact OD1-CB 3.47Å; D297-V299 PolarHBondContact OD1-N 2.83Å; V299-A303 HydrophobicContact CG1-CB 4.4Å; V299-L304 HydrophobicContact CG1-CD2 3.62Å; V299-L304 HydrophobicContact CG1-CG 4.02Å
300Y96.5Very high84.2Confident1 Ų167.5 Ų67.50%0.00438%0.378CS..  trans-82.8165.2173.4-51.7-86.3000112.1T116 T119 L120 Q123 M148 N155 Y298 W302 A303T116-Y300 HydrophobicContact CG2-CD1 4.16Å; T116-Y300 WeakPolarHBondContact OG1-CA 3.45Å; T119-Y300 HydrophobicContact CG2-CD1 4.35Å; T119-Y300 HydrophobicContact CG2-CE1 3.5Å; L120-Y300 HydrophobicContact CD2-CE1 4.05Å; L120-Y300 HydrophobicContact CG-CD1 4.47Å; L120-Y300 HydrophobicContact CG-CE1 4.12Å; Q123-Y300 PolarHBondContact NE2-OH 2.84Å; M148-Y300 HydrophobicContact CE-CE2 3.86Å; N155-Y300 PolarHBondContact O-OH 2.9Å; Y298-Y300 WeakPolarHBondContact O-CD2 3.44Å; Y298-Y300 WeakPolarHBondContact O-CE2 3.37Å; Y298-Y300 PolarHBondContact O-N 3.02Å; Y300-W302 VanDerWaalsContact C-N 3.3Å; Y300-W302 VanDerWaalsContact CB-CE2 3.45Å; Y300-W302 VanDerWaalsContact CB-CZ2 3.43Å; Y300-W302 AromaticContact CD1-CH2 3.63Å; Y300-W302 HydrophobicContact CD1-CH2 3.63Å; Y300-W302 AromaticContact CD1-CZ2 3.83Å; Y300-W302 HydrophobicContact CD1-CZ2 3.83Å; Y300-W302 HydrophobicContact CD1-CZ3 4.36Å; Y300-W302 AromaticContact CD2-CE2 3.89Å; Y300-W302 HydrophobicContact CD2-CH2 4.14Å; Y300-W302 AromaticContact CD2-CZ2 3.44Å; Y300-W302 HydrophobicContact CD2-CZ2 3.44Å; Y300-W302 VanDerWaalsContact CD2-CZ2 3.44Å; Y300-W302 HydrophobicContact CE1-CH2 4.26Å; Y300-W302 HydrophobicContact CE1-CZ2 4.39Å; Y300-W302 HydrophobicContact CE2-CZ2 4.07Å; Y300-W302 HydrophobicContact CG-CD2 4.49Å; Y300-W302 AromaticContact CG-CE2 3.8Å; Y300-W302 AromaticContact CG-CH2 3.55Å; Y300-W302 HydrophobicContact CG-CH2 3.55Å; Y300-W302 AromaticContact CG-CZ2 3.3Å; Y300-W302 HydrophobicContact CG-CZ2 3.3Å; Y300-W302 HydrophobicContact CG-CZ3 4.24Å; Y300-W302 PolarHBondContact O-N 2.83Å; Y300-A303 WeakPolarHBondContact O-CB 3.39Å; Y300-A303 PolarHBondContact O-N 2.74Å
301D97Very high81.1Confident27 Ų2768.4 Ų68.414%0.14439%0.387CS..Hα-helixtrans-56.4-39.6-173.6-51.7-24.4000113.3F112 S113 T116 A303 L304 L305F112-D301 WeakPolarHBondContact CA-OD2 3.41Å; F112-D301 WeakPolarHBondContact CB-OD2 3.47Å; S113-D301 VanDerWaalsContact CB-OD1 3.27Å; S113-D301 WeakPolarHBondContact CB-OD1 3.38Å; S113-D301 PolarHBondContact N-OD2 2.83Å; S113-D301 PolarHBondContact OG-OD1 2.92Å; T116-D301 WeakPolarHBondContact CB-OD1 3.21Å; T116-D301 VanDerWaalsContact CB-OD2 3.29Å; T116-D301 WeakPolarHBondContact CB-OD2 3.29Å; T116-D301 PolarHBondContact OG1-N 3.41Å; T116-D301 PolarHBondContact OG1-OD1 2.86Å; T116-D301 PolarHBondContact OG1-OD2 2.89Å; D301-A303 VanDerWaalsContact C-N 3.28Å; D301-A303 PolarHBondContact O-N 2.53Å; D301-L304 WeakPolarHBondContact O-CB 3.39Å; D301-L304 PolarHBondContact O-N 3.08Å; D301-L304 VanDerWaalsContact O-N 3.14Å; D301-L305 PolarHBondContact O-N 3.09Å
302W95.8Very high77.9Confident0 Ų069.2 Ų69.20%039%0.389CS..Hα-helixtrans-66.9-25.7179.454.486.8000113.8L101 L104 F107 C108 F112 T116 L120 M148 Y300 L304 G306 C418 P420L101-W302 HydrophobicContact CD2-CH2 4.34Å; L104-W302 HydrophobicContact CB-CD2 4.24Å; L104-W302 HydrophobicContact CB-CE3 3.94Å; L104-W302 HydrophobicContact CB-CZ3 4.25Å; L104-W302 HydrophobicContact CD1-CD2 4.1Å; L104-W302 HydrophobicContact CD1-CE3 4.3Å; L104-W302 HydrophobicContact CD1-CH2 4.05Å; L104-W302 HydrophobicContact CD1-CZ2 3.81Å; L104-W302 HydrophobicContact CD1-CZ3 4.29Å; L104-W302 HydrophobicContact CD2-CB 4.01Å; L104-W302 HydrophobicContact CD2-CD2 3.81Å; L104-W302 HydrophobicContact CD2-CE3 4.37Å; L104-W302 HydrophobicContact CD2-CG 3.65Å; L104-W302 HydrophobicContact CG-CD2 4.27Å; L104-W302 HydrophobicContact CG-CE3 4.44Å; F107-W302 HydrophobicContact CD1-CB 4.04Å; F107-W302 HydrophobicContact CE1-CB 4.13Å; C108-W302 PolarHBondContact SG-N 3.27Å; F112-W302 HydrophobicContact CD1-CZ3 4.47Å; F112-W302 AromaticContact CE1-CE3 3.76Å; F112-W302 HydrophobicContact CE1-CE3 3.76Å; F112-W302 AromaticContact CE1-CZ3 3.74Å; F112-W302 HydrophobicContact CE1-CZ3 3.74Å; F112-W302 HydrophobicContact CE2-CZ3 4.19Å; F112-W302 AromaticContact CZ-CE3 3.99Å; F112-W302 HydrophobicContact CZ-CE3 3.99Å; F112-W302 AromaticContact CZ-CZ3 3.59Å; F112-W302 HydrophobicContact CZ-CZ3 3.59Å; T116-W302 HydrophobicContact CG2-CH2 4.33Å; T116-W302 HydrophobicContact CG2-CZ3 3.75Å; L120-W302 HydrophobicContact CD1-CH2 4.24Å; L120-W302 HydrophobicContact CD1-CZ3 4.43Å; L120-W302 HydrophobicContact CD2-CH2 4.25Å; M148-W302 HydrophobicContact CE-CZ2 4.28Å; M148-W302 HydrophobicContact CG-CZ2 4.2Å; M148-W302 HydrophobicContact SD-CZ2 4.23Å; Y300-W302 VanDerWaalsContact C-N 3.3Å; Y300-W302 VanDerWaalsContact CB-CE2 3.45Å; Y300-W302 VanDerWaalsContact CB-CZ2 3.43Å; Y300-W302 AromaticContact CD1-CH2 3.63Å; Y300-W302 HydrophobicContact CD1-CH2 3.63Å; Y300-W302 AromaticContact CD1-CZ2 3.83Å; Y300-W302 HydrophobicContact CD1-CZ2 3.83Å; Y300-W302 HydrophobicContact CD1-CZ3 4.36Å; Y300-W302 AromaticContact CD2-CE2 3.89Å; Y300-W302 HydrophobicContact CD2-CH2 4.14Å; Y300-W302 AromaticContact CD2-CZ2 3.44Å; Y300-W302 HydrophobicContact CD2-CZ2 3.44Å; Y300-W302 VanDerWaalsContact CD2-CZ2 3.44Å; Y300-W302 HydrophobicContact CE1-CH2 4.26Å; Y300-W302 HydrophobicContact CE1-CZ2 4.39Å; Y300-W302 HydrophobicContact CE2-CZ2 4.07Å; Y300-W302 HydrophobicContact CG-CD2 4.49Å; Y300-W302 AromaticContact CG-CE2 3.8Å; Y300-W302 AromaticContact CG-CH2 3.55Å; Y300-W302 HydrophobicContact CG-CH2 3.55Å; Y300-W302 AromaticContact CG-CZ2 3.3Å; Y300-W302 HydrophobicContact CG-CZ2 3.3Å; Y300-W302 HydrophobicContact CG-CZ3 4.24Å; Y300-W302 PolarHBondContact O-N 2.83Å; W302-L304 VanDerWaalsContact C-N 3.29Å; W302-G306 PolarHBondContact O-N 2.87Å; W302-C418 VanDerWaalsContact CD1-O 3.25Å; W302-C418 PolarHBondContact NE1-O 2.85Å; W302-P420 HydrophobicContact CB-CG 4.49Å
303A92Very high74.7Confident8 Ų871.3 Ų71.37%0.06641%0.409CS..Hα-helixtrans-72.8-24.4175.400000112.2V299 Y300 D301V299-A303 HydrophobicContact CG1-CB 4.4Å; Y300-A303 WeakPolarHBondContact O-CB 3.39Å; Y300-A303 PolarHBondContact O-N 2.74Å; D301-A303 VanDerWaalsContact C-N 3.28Å; D301-A303 PolarHBondContact O-N 2.53Å
304L88.9Confident71.5Confident95 Ų9572.5 Ų72.550%0.49741%0.41SS..Hα-helixtrans-83.5-31.2177-59.4176.3000112.6V299 D301 W302 T307V299-L304 HydrophobicContact CG1-CD2 3.62Å; V299-L304 HydrophobicContact CG1-CG 4.02Å; D301-L304 WeakPolarHBondContact O-CB 3.39Å; D301-L304 PolarHBondContact O-N 3.08Å; D301-L304 VanDerWaalsContact O-N 3.14Å; W302-L304 VanDerWaalsContact C-N 3.29Å; L304-T307 PolarHBondContact O-OG1 2.88Å
305L85.3Confident68.2Low73 Ų7375 Ų7538%0.38244%0.435SS..Hα-helixtrans-69.4-45174.7-66.7172.6000111.1F107 C108 D301 T307 N308F107-L305 HydrophobicContact CD1-CD1 4Å; F107-L305 HydrophobicContact CE1-CB 3.71Å; F107-L305 HydrophobicContact CE1-CD1 3.8Å; F107-L305 HydrophobicContact CE1-CG 4.41Å; F107-L305 HydrophobicContact CZ-CB 4.04Å; C108-L305 HydrophobicContact CB-CD1 4.34Å; D301-L305 PolarHBondContact O-N 3.09Å; L305-T307 PolarHBondContact O-N 2.73Å; L305-N308 PolarHBondContact O-N 2.91Å
306G64.8Low65.2Low27 Ų2777.8 Ų77.828%0.27845%0.445SS..THydrogen-bonded Turntrans-63-11.4-179.600000115.6W302W302-G306 PolarHBondContact O-N 2.87Å
307T53.4Low62.2Low47 Ų4781.9 Ų81.929%0.28846%0.464SS..THydrogen-bonded Turntrans-92.5-12.4173.953.30000114.3L304 L305 R417L304-T307 PolarHBondContact O-OG1 2.88Å; L305-T307 PolarHBondContact O-N 2.73Å; T307-R417 VanDerWaalsContact CG2-NH1 3.31Å
308N46.5Very low59Low110 Ų11086.2 Ų86.259%0.58849%0.487SS*.THydrogen-bonded Turntrans-101.2-28.1-174.3-65.3-0.7000112.3L305 S310 N311L305-N308 PolarHBondContact O-N 2.91Å; N308-S310 PolarHBondContact O-N 2.8Å; N308-S310 VanDerWaalsContact O-N 3.07Å; N308-N311 PolarHBondContact O-N 3.09Å
309S44Very low55.9Low52 Ų5286.2 Ų86.236%0.36451%0.505SS..G310 helixtrans-57.9-22.9179.8-54.30000114.3N311 T312S309-N311 PolarHBondContact O-N 2.9Å; S309-N311 VanDerWaalsContact O-N 3.15Å; S309-T312 PolarHBondContact O-N 3.45Å
310S38.4Very low52.8Low92 Ų9291.5 Ų91.564%0.64353%0.532SS*.G310 helixtrans-66.9-11.8-178.7540000115N308N308-S310 PolarHBondContact O-N 2.8Å; N308-S310 VanDerWaalsContact O-N 3.07Å
311N33.4Very low49.8Very low151 Ų15196 Ų9681%0.80756%0.561SS**G310 helixtrans-112.51.9177.9-79.85000114.5N308 S309N308-N311 PolarHBondContact O-N 3.09Å; S309-N311 PolarHBondContact O-N 2.9Å; S309-N311 VanDerWaalsContact O-N 3.15Å
312T31.1Very low46.5Very low100 Ų100104.1 Ų104.161%0.61360%0.598SS**  trans-131.248.9-174.9-39.30000112.2S309 Q314S309-T312 PolarHBondContact O-N 3.45Å; T312-Q314 PolarHBondContact O-N 2.8Å
313S29.4Very low43.5Very low112 Ų112108.7 Ų108.778%0.78363%0.629SS**  trans-76.245.5176.5-590000113.5
314Q30.3Very low40.5Very low169 Ų169117.8 Ų117.879%0.7967%0.67SS**SBendtrans-159.8154172.3-104.3158.928.500109.3T312T312-Q314 PolarHBondContact O-N 2.8Å
315S29Very low37.9Very low115 Ų115116.5 Ų116.580%0.80466%0.664SS**  trans72.432.7170.976.40000121.7
316I34.3Very low35.5Very low158 Ų158116.2 Ų116.281%0.8166%0.662SS**  trans-123.179.5153-50.1-177.7000111.5
317M30.7Very low34Very low183 Ų183118.8 Ų118.890%0.90168%0.681SS**  trans-13956.3163.8-78.2-166.8172.900110.4
318N29.2Very low33Very low164 Ų164122.4 Ų122.488%0.87770%0.699SS**  trans-175.6100.6154.9-99.3-23.5000110.2
319A28.8Very low32.5Very low86 Ų86119.5 Ų119.571%0.71168%0.682SS**  trans-14896.2168.400000108.7P321A319-P321 WeakPolarHBondContact O-CD 3.33Å
320N30.3Very low32.2Very low152 Ų152120.5 Ų120.581%0.81368%0.68SS**  trans-66.9126.7175.7-90.21.9000110.6
321P34.2Very low32Very low96 Ų96122.4 Ų122.462%0.62368%0.679SS**  trans-97.989.2168.234.8-25.9000110.3A319 C323A319-P321 WeakPolarHBondContact O-CD 3.33Å; P321-C323 PolarHBondContact O-N 2.67Å
322E26.7Very low31.9Very low196 Ų196120.9 Ų120.992%0.91667%0.671SS**  trans-71.266.7164.8-73.8-163143.400110.8
323C32Very low32Very low96 Ų96117.8 Ų117.865%0.64965%0.651SS**  trans-152.544.4178.848.20000113.9P321 D325P321-C323 PolarHBondContact O-N 2.67Å; C323-D325 VanDerWaalsContact C-N 3.27Å; C323-D325 PolarHBondContact O-N 3.25Å
324E29.1Very low32.3Very low200 Ų200113.4 Ų113.494%0.93562%0.622SS**THydrogen-bonded Turntrans-6769.2169.1-64.8-162.7131.700113.7
325D34.6Very low32.2Very low67 Ų67112.5 Ų112.536%0.35862%0.617SS.*THydrogen-bonded Turntrans-133.85.3167.2-165.229.6000113.4K236 C323 Q329K236-D325 IonicContact NZ-OD1 3.59Å; K236-D325 IonicContact NZ-OD2 2.71Å; C323-D325 VanDerWaalsContact C-N 3.27Å; C323-D325 PolarHBondContact O-N 3.25Å; D325-Q329 WeakPolarHBondContact O-CG 3.06Å; D325-Q329 PolarHBondContact O-NE2 2.81Å
326N36.2Very low32.6Very low67 Ų67109.4 Ų109.436%0.35860%0.595SS.*SBendtrans-90.7-34.1178.8-99.5-16.1000114.1R190 N328 Q329R190-N326 PolarHBondContact NH2-OD1 2.75Å; N326-N328 PolarHBondContact O-N 3.02Å; N326-Q329 PolarHBondContact O-N 3.04Å
327A32.8Very low32.3Very low81 Ų81110.4 Ų110.467%0.66960%0.596SS**G310 helixtrans-63.4-42-175.300000113.4Q329A327-Q329 VanDerWaalsContact C-N 3.3Å; A327-Q329 PolarHBondContact O-N 2.97Å
328N32.3Very low32.1Very low123 Ų123105.7 Ų105.766%0.65859%0.594SS**G310 helixtrans-78.8-5.7-174.7-73.8-21.6000114.5N326 H330N326-N328 PolarHBondContact O-N 3.02Å; N328-H330 VanDerWaalsContact C-N 3.34Å
329Q36.8Very low32.2Very low50 Ų50103.9 Ų103.923%0.23458%0.583CS.*G310 helixtrans-79.1-16.3-179-63.5-172.728.900113.5D325 N326 A327 N333D325-Q329 WeakPolarHBondContact O-CG 3.06Å; D325-Q329 PolarHBondContact O-NE2 2.81Å; N326-Q329 PolarHBondContact O-N 3.04Å; A327-Q329 VanDerWaalsContact C-N 3.3Å; A327-Q329 PolarHBondContact O-N 2.97Å; Q329-N333 PolarHBondContact O-ND2 2.81Å
330H37.5Very low32.1Very low72 Ų72105.5 Ų105.533%0.33358%0.58SS.*SBendtrans-97.1-17.3-177.5-91.6105.3000115.3D144 N328 N332D144-H330 IonicContact OD1-CE1 3.95Å; D144-H330 PolarHBondContact OD1-CE1 2.9Å; D144-H330 VanDerWaalsContact OD1-CE1 3.25Å; D144-H330 IonicContact OD1-NE2 3.57Å; N328-H330 VanDerWaalsContact C-N 3.34Å; H330-N332 PolarHBondContact O-N 2.88Å
331Q32.5Very low31.9Very low133 Ų133103.3 Ų103.362%0.62158%0.576SS**THydrogen-bonded Turntrans-79.2-18.4-166.8-77.9-173.2-7.100116.5
332N32.3Very low31.7Very low118 Ų118103.9 Ų103.963%0.63158%0.578SS**THydrogen-bonded Turntrans-138.831.1-167.6-79-62.8000115.4K233 H330 A334K233-N332 PolarHBondContact NZ-O 3.35Å; H330-N332 PolarHBondContact O-N 2.88Å; N332-A334 PolarHBondContact O-N 2.9Å
333N33.1Very low31.8Very low35 Ų35100.8 Ų100.819%0.18757%0.573CS.*  trans-93.451-178.4-68.5-20000114.2K233 Y237 Q329K233-N333 WeakPolarHBondContact CE-OD1 3.45Å; K233-N333 PolarHBondContact NZ-OD1 3.03Å; Y237-N333 PolarHBondContact OH-OD1 2.94Å; Q329-N333 PolarHBondContact O-ND2 2.81Å
334A36.7Very low31.6Very low21 Ų2199.2 Ų99.217%0.17457%0.573CS.*  trans-157.553.2171.700000114.8F29 H55 N332 C336F29-A334 HydrophobicContact CE1-CB 3.58Å; F29-A334 HydrophobicContact CZ-CB 3.95Å; H55-A334 PolarHBondContact CD2-O 3.41Å; H55-A334 VanDerWaalsContact CD2-O 3.29Å; N332-A334 PolarHBondContact O-N 2.9Å; A334-C336 PolarHBondContact O-N 3.46Å
335E28.3Very low31.5Very low150 Ų15094.2 Ų94.270%0.70157%0.566SS**  trans-89.282.7155.1-70.9-153.3124.300108.9R54R54-E335 IonicContact NH1-OE1 2.71Å; R54-E335 PolarHBondContact NH1-OE1 3.14Å
336C35.6Very low31.2Very low50 Ų5095.8 Ų95.834%0.33859%0.588SS.*  trans-131.7112.6170.9-81.40000108.1A334A334-C336 PolarHBondContact O-N 3.46Å
337Q29.2Very low30.9Very low179 Ų179101.4 Ų101.484%0.83661%0.612SS**PPolyproline II helixtrans-68.6161.5178.8-66.2176.7-8.400110.8I339Q337-I339 PolarHBondContact O-N 3.19Å
338G26.3Very low30.5Very low83 Ų83104 Ų10486%0.85662%0.624SS**PPolyproline II helixtrans-56127.8-161.800000114.6
339I30.6Very low30.4Very low127 Ų127102.7 Ų102.765%0.65163%0.63SS**PPolyproline II helixtrans-81.8120153.1-60.1176.6000105.6Q337Q337-I339 PolarHBondContact O-N 3.19Å
340D26.7Very low30Very low119 Ų119108.4 Ų108.464%0.63666%0.661SS**PPolyproline II helixtrans-57.8139.9177.1-177.325.2000110.8T342D340-T342 PolarHBondContact OD1-N 3.14Å; D340-T342 WeakPolarHBondContact OD2-CB 3.28Å; D340-T342 WeakPolarHBondContact OD2-CG2 3.44Å; D340-T342 PolarHBondContact OD2-OG1 3.43Å
341S26.8Very low29.7Very low106 Ų106111 Ų11174%0.74168%0.684SS**  trans-117.334.1-175.155.10000112.2V343S341-V343 PolarHBondContact O-N 2.9Å
342T28.7Very low29.8Very low108 Ų108109.2 Ų109.266%0.66369%0.693SS**  trans-60.179163.941.20000111.6D340 G344D340-T342 PolarHBondContact OD1-N 3.14Å; D340-T342 WeakPolarHBondContact OD2-CB 3.28Å; D340-T342 WeakPolarHBondContact OD2-CG2 3.44Å; D340-T342 PolarHBondContact OD2-OG1 3.43Å; T342-G344 PolarHBondContact O-N 2.82Å
343V29.6Very low29.8Very low131 Ų131109 Ų10979%0.79470%0.698SS**  trans-71.674.2160.9-175.40000107.7S341 A345S341-V343 PolarHBondContact O-N 2.9Å; V343-A345 PolarHBondContact O-N 2.78Å
344G28.7Very low29.8Very low63 Ų63116.4 Ų116.465%0.64973%0.731SS**  trans-61.5125.4178.600000110.8T342 A346T342-G344 PolarHBondContact O-N 2.82Å; G344-A346 PolarHBondContact O-N 3Å; G344-A346 VanDerWaalsContact O-N 3.11Å
345A26.6Very low29.5Very low96 Ų96120.9 Ų120.979%0.79376%0.756SS**  trans-70.6103.9172.100000109.1V343 Q347V343-A345 PolarHBondContact O-N 2.78Å; A345-Q347 VanDerWaalsContact C-N 3.34Å; A345-Q347 PolarHBondContact O-N 3.44Å
346A28.3Very low29.5Very low99 Ų99125 Ų12582%0.81877%0.767SS**  trans-71.686.3177.700000110.9G344G344-A346 PolarHBondContact O-N 3Å; G344-A346 VanDerWaalsContact O-N 3.11Å
347Q29.9Very low29.4Very low186 Ų186126.3 Ų126.387%0.86979%0.789SS**  trans-71.2127.5160-73.2-176.7-22.600108.8A345 A349A345-Q347 VanDerWaalsContact C-N 3.34Å; A345-Q347 PolarHBondContact O-N 3.44Å; Q347-A349 PolarHBondContact O-N 2.82Å
348C24.6Very low29.3Very low136 Ų136124.5 Ų124.592%0.91979%0.785SS**  trans-75.3112.9175.7-63.40000109.9
349A29.6Very low29.8Very low95 Ų95129.6 Ų129.679%0.78579%0.786SS**  trans-118.4134.6165.300000109.2Q347Q347-A349 PolarHBondContact O-N 2.82Å
350L28.2Very low29.7Very low170 Ų170130.2 Ų130.289%0.8979%0.791SS**PPolyproline II helixtrans-85.3140.2-179-64.5164.8000110.2
351P30.7Very low30.1Very low125 Ų125132.5 Ų132.581%0.81280%0.798SS**PPolyproline II helixtrans-79.1133.9170.431.7-32.3000111.1
352A34.4Very low30.5Very low97 Ų97135.2 Ų135.280%0.80280%0.798SS**PPolyproline II helixtrans-97.115216700000110.6
353P32.2Very low30.5Very low114 Ų114137.5 Ų137.574%0.7481%0.806SS**PPolyproline II helixtrans-100.2124-167.535.4-32.3000115
354Q34.4Very low30.8Very low189 Ų189138.6 Ų138.688%0.88381%0.806SS**  trans-143.3135.6153.7-65.1-172-12.900107.5
355V29.7Very low31.1Very low115 Ų115140.6 Ų140.670%0.69781%0.807SS**  cis103.611719.7176.40000113.4
356Y28.7Very low31.5Very low236 Ų236142.8 Ų142.893%0.92581%0.811SS**  trans70.5139179.7-67.3-61.4000119.9
357G32.7Very low31.7Very low79 Ų79146 Ų14681%0.81481%0.809SS**  trans158.667.7-176.400000111.9
358N27.4Very low31.5Very low140 Ų140145.5 Ų145.575%0.74981%0.806SS**  trans-84.2127.5-168.9-147.520.1000112.1
359H36.2Very low32Very low191 Ų191145.3 Ų145.388%0.88480%0.803SS**  trans-149.1120.7159.2-93.7-59.4000112.1
360N28.9Very low32Very low139 Ų139147.8 Ų147.874%0.74380%0.799SS**  trans-79139168.8-72.2-35.7000110.4
361H35.8Very low32Very low168 Ų168147.4 Ų147.478%0.77879%0.793SS**  -167.9145.7124.2-104.3-36000115
362H35.1Very low32.2Very low163 Ų163148.4 Ų148.476%0.75580%0.796SS**  trans62.2103.7154.5-73.688000120.8
363N28.2Very low32.1Very low156 Ų156151.1 Ų151.183%0.83480%0.796SS**  trans-54.6132.8160.3-58.6-35.3000112.6
364I36.1Very low32.5Very low154 Ų154150.9 Ų150.979%0.7980%0.795SS**  trans-140109.6142.8-56.5-178000108.3
365P35.5Very low32.4Very low104 Ų104151.1 Ų151.168%0.67580%0.795SS**  trans-87.8114171.932.4-29.5000110.7Q367P365-Q367 PolarHBondContact O-N 3.16Å
366V33.8Very low32.6Very low142 Ų142149 Ų14986%0.86179%0.791SS**  trans-78.9100.2169.6-1800000108.8
367Q32.4Very low32.8Very low167 Ų167146.2 Ų146.278%0.7879%0.785SS**PPolyproline II helixtrans-80153.6173.8-72.3-176.5-21.900112P365P365-Q367 PolarHBondContact O-N 3.16Å
368Q27.1Very low32.8Very low175 Ų175146.3 Ų146.382%0.81877%0.774SS**PPolyproline II helixtrans-71.4137.2166.5-61.4170.5-5.400109.9
369P34.9Very low33Very low132 Ų132150 Ų15086%0.85778%0.777SS**PPolyproline II helixtrans-81.4126.6158.231.8-29000109.4
370Q29.5Very low32.9Very low147 Ų147148.5 Ų148.569%0.68777%0.771SS**  trans-130.1148.1169.9-153-164.762.200109.5
371Q28.9Very low33Very low163 Ų163145.3 Ų145.376%0.76277%0.77SS**  trans71110.1168.9-47.1-179.723.600117.6
372V33.7Very low32.5Very low146 Ų146143.8 Ų143.889%0.88577%0.773SS**  -135135.5115.6-178.40000107.3
373L32.1Very low32.4Very low153 Ų153145.1 Ų145.180%0.80178%0.779SS**  trans-149.8127.7177.1-143.6179.6000108.4
374P41.8Very low32.3Very low110 Ų110146.4 Ų146.471%0.71478%0.78SS**  trans-93.4136.5169.2-5.424.9000112.3
375H32.6Very low32Very low193 Ų193144.7 Ų144.789%0.89478%0.781SS**  trans-72.1170.5160.9-70.3-68.4000110.7
376A33Very low31.5Very low72 Ų72145.9 Ų145.960%0.59579%0.787SS**  cis-141.4-154.211.500000110.1
377H34.1Very low31.3Very low177 Ų177148.7 Ų148.782%0.81979%0.788SS**  cis-162.1164.65.4-109.3-33.4000106.1
378S31.9Very low31.2Very low81 Ų81148.5 Ų148.557%0.56679%0.787SS**  cis-173.9143.4-24.9-123.50000108.5
379R31.9Very low31.2Very low216 Ų216143.6 Ų143.682%0.81577%0.772SS**  trans64.9156.4165.5-66.9160.3175.5-124.511.1116
380E32.7Very low30.9Very low161 Ų161144.6 Ų144.675%0.75277%0.765SS**  cis-140.3169.9-10.5-104.1140.4-143.300105.2
381G31.8Very low30.9Very low71 Ų71148 Ų14873%0.73278%0.778SS**  cis-176.2-166.420.700000110.5
382V26Very low31Very low137 Ų137145.2 Ų145.283%0.8377%0.772SS**  trans-101.4140.2-161.8169.90000113.6
383Q32.2Very low30.6Very low190 Ų190145.2 Ų145.289%0.88877%0.767SS**  trans-163.3147.3132.4-111.2168.635.300114.4
384Q25.8Very low30.6Very low184 Ų184147.4 Ų147.486%0.8677%0.773SS**  trans-105147.9168.3-65.2172.1-2400108.7
385S30Very low30Very low117 Ų117147.9 Ų147.982%0.81878%0.779SS**  trans-146.2129.4154.959.60000110.8
386T25.7Very low29.8Very low130 Ų130142.4 Ų142.480%0.79877%0.774SS**  trans-111.2137.5173.7-50.70000107.6
387F30.3Very low29.7Very low200 Ų200146.2 Ų146.288%0.87779%0.785SS**  trans-131.4120.8166.6-105.8-86.8000112.7
388H28.5Very low29.4Very low164 Ų164142.5 Ų142.576%0.75978%0.779SS**  trans-63.6171.5150.8-112.746.3000109.3
389S28.2Very low29.3Very low71 Ų71142.5 Ų142.550%0.49779%0.792SS.*  cis-154163.12.9-159.40000110.2
390Q28.5Very low29Very low154 Ų154139.1 Ų139.172%0.7280%0.795SS**  trans19.9132.1144.2-65158.5-7.900120.9V392Q390-V392 HydrophobicContact CB-CG2 4.36Å; Q390-V392 HydrophobicContact CG-CG2 4.46Å
391F29Very low28.9Very low218 Ų218139.3 Ų139.396%0.95680%0.796SS**  -121.3148.7127.9-102.5-88.3000109.1
392V31.1Very low28.7Very low104 Ų104142.8 Ų142.863%0.6380%0.803SS**  trans-126.3139.9-168.7169.70000111.2Q390Q390-V392 HydrophobicContact CB-CG2 4.36Å; Q390-V392 HydrophobicContact CG-CG2 4.46Å
393N25.8Very low28.9Very low146 Ų146142.2 Ų142.278%0.78180%0.795SS**  trans14.5133.1162.6-59.7-14.2000120.2
394Q32.4Very low28.8Very low199 Ų199136.7 Ų136.793%0.9378%0.782SS**  -145.5157.9117.9-120.2168.877.700113
395S28.1Very low29Very low121 Ų121139.1 Ų139.185%0.84679%0.785SS**  trans-93.1151.1-168.149.50000113.7
396G29.6Very low29.1Very low77 Ų77140.7 Ų140.779%0.79478%0.784SS**  trans-15933.6-171.600000120.5
397N30.6Very low29.5Very low153 Ų153138.9 Ų138.982%0.81878%0.783SS**  trans58.9148.9155.1-15015.9000122.6
398S27Very low29.5Very low99 Ų99135.3 Ų135.369%0.69278%0.78SS**  trans21.1119.415462.60000121.7
399G30Very low29.5Very low81 Ų81130.8 Ų130.884%0.83578%0.777SS**  trans-168.895.8163.500000114.5
400T26.5Very low29.6Very low144 Ų144134 Ų13488%0.88379%0.794SS**  trans-78.9116.117445.50000111.8
401Q30.3Very low29.5Very low165 Ų165132.2 Ų132.277%0.77180%0.798SS**  trans-155101158.2-121.2163.754.500113N403Q401-N403 PolarHBondContact O-N 3.22Å
402T27.9Very low29.7Very low144 Ų144128.3 Ų128.388%0.88379%0.792SS**  trans-76.592.816448.10000108.8A404T402-A404 VanDerWaalsContact C-N 3.27Å; T402-A404 PolarHBondContact O-N 3.02Å
403N29.3Very low29.7Very low125 Ų125131.8 Ų131.867%0.66880%0.802SS**  trans-71.681.8178.5-80.4-14.9000111.8Q401Q401-N403 PolarHBondContact O-N 3.22Å
404A29.9Very low30.2Very low74 Ų74134.5 Ų134.561%0.61280%0.802SS**  trans-65.6129.3160.400000109.2T402 N406T402-A404 VanDerWaalsContact C-N 3.27Å; T402-A404 PolarHBondContact O-N 3.02Å; A404-N406 PolarHBondContact O-N 2.8Å
405Y30.3Very low30.2Very low236 Ų236127.1 Ų127.193%0.92578%0.78SS**  trans-72.974.7174.7-81.4-89.1000111.1A407Y405-A407 PolarHBondContact O-N 3.09Å
406N31.2Very low30.6Very low149 Ų149128.9 Ų128.980%0.79778%0.777SS**  trans-76.9113.2165.9-79.3-14.7000109.2A404A404-N406 PolarHBondContact O-N 2.8Å
407A34.9Very low31.5Very low93 Ų93133.8 Ų133.877%0.76977%0.771SS**PPolyproline II helixtrans-75.3135170.700000110.4Y405Y405-A407 PolarHBondContact O-N 3.09Å
408P31.3Very low32.8Very low125 Ų125127.3 Ų127.381%0.81274%0.738SS**PPolyproline II helixtrans-69.9151.7172.330.5-34.2000111
409G28.5Very low34.1Very low68 Ų68123.7 Ų123.770%0.70171%0.71SS**SBendtrans-74.1143.9-160.200000116.5
410T28.4Very low35.4Very low140 Ų140120 Ų12086%0.85967%0.672SS**  trans-16945.1147.814.70000109.9
411S28.1Very low37.1Very low115 Ų115118.4 Ų118.480%0.80466%0.662SS**  trans-11267.7-166.961.90000113.9
412V32.3Very low38.3Very low136 Ų136117.1 Ų117.182%0.82466%0.656SS**SBendtrans-131-50.6173.4-1720000112.9
413E32Very low39.8Very low178 Ų178111.6 Ų111.683%0.83262%0.62SS**SBendtrans-94-28.7-168-66.2-170.4115.100116.3G415E413-G415 PolarHBondContact O-N 2.82Å
414Y35.8Very low41.2Very low202 Ų202113 Ų11379%0.79262%0.616SS**G310 helixtrans-66.1-12.9-174.4-89.7-89.5000115M416Y414-M416 VanDerWaalsContact C-N 3.34Å; Y414-M416 PolarHBondContact O-N 2.74Å
415G32.3Very low42.2Very low45 Ų45116 Ų11646%0.46461%0.611SS.*G310 helixtrans-73.9-9-172.800000117E413E413-G415 PolarHBondContact O-N 2.82Å
416M37.4Very low42.8Very low158 Ų158110 Ų11078%0.77860%0.596SS**G310 helixtrans-99.3-7.1-170.6-67.1-152.4-177.800116.5Y414 R424Y414-M416 VanDerWaalsContact C-N 3.34Å; Y414-M416 PolarHBondContact O-N 2.74Å; M416-R424 PolarHBondContact O-NH2 2.83Å
417R48.5Very low43.4Very low180 Ų180107.9 Ų107.968%0.67959%0.585SS**SBendtrans-1023.1-177.9-74.1-172.4174.4-1590.3115.5T307 M419T307-R417 VanDerWaalsContact CG2-NH1 3.31Å; R417-M419 PolarHBondContact O-N 3.34Å; R417-M419 VanDerWaalsContact O-N 3.14Å
418C56.3Low43.8Very low17 Ų17108.7 Ų108.712%0.11558%0.575CS.*SBendtrans-73-4-173-550000116C154 W302C154-C418 HydrophobicContact CB-CB 3.83Å; C154-C418 VanDerWaalsContact SG-CB 3.51Å; C154-C418 VanDerWaalsContact SG-SG 3.64Å; W302-C418 VanDerWaalsContact CD1-O 3.25Å; W302-C418 PolarHBondContact NE1-O 2.85Å
419M55.9Low44.6Very low23 Ų23107.8 Ų107.811%0.11356%0.561CS.*SBendtrans-137.2127.3177.6-72.8-65152.700110.7P99 L104 M148 R417 R424P99-M419 HydrophobicContact CG-CE 4.18Å; P99-M419 HydrophobicContact CG-SD 3.6Å; P99-M419 VanDerWaalsContact CG-SD 3.6Å; L104-M419 HydrophobicContact CD2-SD 4.33Å; M148-M419 HydrophobicContact CB-CE 3.36Å; M148-M419 HydrophobicContact CG-CE 3.75Å; R417-M419 PolarHBondContact O-N 3.34Å; R417-M419 VanDerWaalsContact O-N 3.14Å; M419-R424 PolarHBondContact O-NH2 3.47Å
420P57Low45.6Very low3 Ų3110.3 Ų110.32%0.01955%0.552CS.*  trans-52.9145.1170.7-23.331.7000111.5F107 W302 E422 M423 R424F107-P420 HydrophobicContact CD1-CG 4.12Å; F107-P420 HydrophobicContact CE1-CB 4.16Å; F107-P420 HydrophobicContact CE1-CG 3.33Å; F107-P420 HydrophobicContact CE2-CB 4.25Å; F107-P420 HydrophobicContact CE2-CG 4.23Å; F107-P420 HydrophobicContact CZ-CB 3.69Å; F107-P420 HydrophobicContact CZ-CG 3.41Å; F107-P420 VanDerWaalsContact CZ-CG 3.41Å; W302-P420 HydrophobicContact CB-CG 4.49Å; P420-E422 PolarHBondContact O-N 2.85Å; P420-M423 HydrophobicContact CB-CB 4.35Å; P420-M423 HydrophobicContact CB-CG 4.31Å; P420-M423 HydrophobicContact CG-CG 4.31Å; P420-M423 PolarHBondContact O-N 3.03Å; P420-R424 PolarHBondContact O-N 3.38Å
421T61.1Low46.7Very low110 Ų110108.3 Ų108.368%0.67553%0.532SS*.G310 helixtrans-59.5-38.9178.8-37.40000111.3M423 R424T421-M423 PolarHBondContact O-N 3.48Å; T421-M423 VanDerWaalsContact O-N 3.17Å; T421-R424 WeakPolarHBondContact O-CB 3.47Å; T421-R424 PolarHBondContact O-N 2.86Å; T421-R424 VanDerWaalsContact O-N 3.11Å
422E55.3Low48.1Very low138 Ų138107.8 Ų107.865%0.64551%0.512SS*.G310 helixtrans-60.9-17.6174.4-64.2149.5-138.200114.1P420P420-E422 PolarHBondContact O-N 2.85Å
423M60Low49.3Very low29 Ų29105.6 Ų105.614%0.14349%0.488CS..G310 helixtrans-103.52.1177.2-73-135.7-168.200114.3P99 L104 F107 P420 T421 R425P99-M423 HydrophobicContact CB-SD 3.62Å; P99-M423 HydrophobicContact CG-SD 3.67Å; L104-M423 HydrophobicContact CD2-CE 4.02Å; L104-M423 HydrophobicContact CD2-SD 3.7Å; L104-M423 HydrophobicContact CG-SD 4.45Å; F107-M423 HydrophobicContact CB-CE 3.16Å; F107-M423 HydrophobicContact CD1-CE 4.02Å; F107-M423 HydrophobicContact CD2-CE 3.91Å; F107-M423 HydrophobicContact CG-CE 3.46Å; F107-M423 VanDerWaalsContact CG-CE 3.46Å; P420-M423 HydrophobicContact CB-CB 4.35Å; P420-M423 HydrophobicContact CB-CG 4.31Å; P420-M423 HydrophobicContact CG-CG 4.31Å; P420-M423 PolarHBondContact O-N 3.03Å; T421-M423 PolarHBondContact O-N 3.48Å; T421-M423 VanDerWaalsContact O-N 3.17Å; M423-R425 VanDerWaalsContact C-N 3.25Å; M423-R425 PolarHBondContact O-N 2.88Å
424R58.3Low50.7Low153 Ų15399.6 Ų99.658%0.57746%0.46SS*.  trans-77.984.7172.7-61.4-176.5-172.7-151.6-3.1107.6M416 M419 P420 T421M416-R424 PolarHBondContact O-NH2 2.83Å; M419-R424 PolarHBondContact O-NH2 3.47Å; P420-R424 PolarHBondContact O-N 3.38Å; T421-R424 WeakPolarHBondContact O-CB 3.47Å; T421-R424 PolarHBondContact O-N 2.86Å; T421-R424 VanDerWaalsContact O-N 3.11Å
425R50.7Low52.1Low137 Ų13790.3 Ų90.352%0.51743%0.43SS..  trans-55.50-162.5-80.1-172.1164.9162.5-3.5115.5R22 D103 M423R22-R425 PolarHBondContact NH1-OXT 2.85Å; R22-R425 PolarHBondContact NH2-O 2.8Å; R22-R425 PolarHBondContact NH2-OXT 3.36Å; D103-R425 IonicContact OD1-NH2 2.68Å; D103-R425 PolarHBondContact OD1-NH2 2.84Å; D103-R425 IonicContact OD2-CZ 3.48Å; D103-R425 IonicContact OD2-NH2 2.68Å; D103-R425 PolarHBondContact OD2-NH2 3.1Å; M423-R425 VanDerWaalsContact C-N 3.25Å; M423-R425 PolarHBondContact O-N 2.88Å

Retrieved 425 of 425 residues in 82.6 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).