A0A3Q0KCB0_SCHMA Loading...

Putative glucosamine-fructose-6-phosphate aminotransferase

AlphaFold DB , UniProt , Accession A0A3Q0KCB0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 549 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M47.3Very low63.6Low229 Ų229149.1 Ų149.1100%1.12877%0.769SS**  0134.50-69.6168.8173.600106.3V3M1-V3 PolarHBondContact O-N 2.76Å; M1-V3 VanDerWaalsContact O-N 3.16Å
2N52.5Low65.4Low166 Ų166146.8 Ų146.889%0.88876%0.759SS**  trans-73.3111.2-179.9-67.98.5000108
3V51Low67.3Low131 Ų131141.9 Ų141.979%0.79474%0.735SS**  trans-85.1119.5166.1179.40000105.3M1 E5M1-V3 PolarHBondContact O-N 2.76Å; M1-V3 VanDerWaalsContact O-N 3.16Å; V3-E5 PolarHBondContact O-N 2.74Å; V3-E5 VanDerWaalsContact O-N 3.09Å
4D58.1Low68.6Low153 Ų153136.9 Ų136.982%0.81871%0.707SS**  trans-62.4114.3174-80.4-53.1000109
5E59.5Low70.2Confident175 Ų175132.5 Ų132.582%0.81869%0.685SS**  trans-68.1126.3-177.9-167.9168.7-13200109V3 K7V3-E5 PolarHBondContact O-N 2.74Å; V3-E5 VanDerWaalsContact O-N 3.09Å; E5-K7 PolarHBondContact O-N 3.47Å
6P58.7Low71.4Confident110 Ų110126.9 Ų126.971%0.71466%0.661SS**  trans-68.2104.3-172.826.7-34000109.7T8P6-T8 PolarHBondContact O-N 3.19Å
7K67.7Low72.6Confident204 Ų204124.2 Ų124.289%0.88765%0.647SS**  trans-52.5108.6172.8-79.4-178174.8176.40109.3E5 M9E5-K7 PolarHBondContact O-N 3.47Å; K7-M9 PolarHBondContact O-N 3.36Å
8T65.6Low73.7Confident131 Ų131123.6 Ų123.680%0.80464%0.64SS**  trans-67.899.3175.938.60000108.8P6 T10P6-T8 PolarHBondContact O-N 3.19Å; T8-T10 PolarHBondContact O-N 3.46Å
9M73.7Confident74.8Confident106 Ų106123.4 Ų123.452%0.52264%0.636SS.*  trans-56.3122178-170.7162.567.100109.1K7 D13 M14 L17K7-M9 PolarHBondContact O-N 3.36Å; M9-D13 HydrophobicContact CG-CB 3.47Å; M9-D13 VanDerWaalsContact CG-CB 3.47Å; M9-D13 HydrophobicContact SD-CB 4.38Å; M9-M14 HydrophobicContact CE-CB 4.08Å; M9-M14 HydrophobicContact CE-CG 4.1Å; M9-L17 HydrophobicContact CE-CD2 4.03Å; M9-L17 HydrophobicContact SD-CD2 3.92Å
10T82.8Confident75.8Confident74 Ų74123.1 Ų123.145%0.45463%0.63SS.*  trans-72.5160.9-177.4740000110.2T8 N12 D13 M14T8-T10 PolarHBondContact O-N 3.46Å; T10-N12 PolarHBondContact O-N 3.18Å; T10-N12 VanDerWaalsContact O-N 3.17Å; T10-D13 VanDerWaalsContact CB-OD2 3.27Å; T10-D13 WeakPolarHBondContact CB-OD2 3.38Å; T10-D13 WeakPolarHBondContact CG2-OD2 3.25Å; T10-D13 PolarHBondContact N-OD2 3.41Å; T10-D13 WeakPolarHBondContact O-CB 3.47Å; T10-D13 PolarHBondContact O-N 3.46Å; T10-D13 PolarHBondContact OG1-N 2.97Å; T10-D13 PolarHBondContact OG1-OD2 3.48Å; T10-M14 PolarHBondContact O-N 3.04Å
11Y82.7Confident76.7Confident161 Ų161122.1 Ų122.163%0.63163%0.625SS**Hα-helixtrans-55.4-34.7177.9-177.5-108.7000112.7M14 I15Y11-M14 HydrophobicContact CD2-CE 3.94Å; Y11-M14 HydrophobicContact CE2-CE 4Å; Y11-M14 PolarHBondContact O-N 3.07Å; Y11-I15 HydrophobicContact CD1-CD1 3.98Å; Y11-I15 HydrophobicContact CE1-CD1 3.49Å; Y11-I15 VanDerWaalsContact CE1-CD1 3.49Å; Y11-I15 HydrophobicContact CE2-CD1 4.38Å; Y11-I15 WeakPolarHBondContact O-CG1 3.47Å; Y11-I15 PolarHBondContact O-N 2.94Å; Y11-I15 VanDerWaalsContact O-N 3.14Å
12N85.9Confident78.9Confident122 Ų122116.4 Ų116.465%0.65259%0.594SS**Hα-helixtrans-72.8-38.1176.5-64.4-9.7000112.2T10 M14 S16T10-N12 PolarHBondContact O-N 3.18Å; T10-N12 VanDerWaalsContact O-N 3.17Å; N12-M14 VanDerWaalsContact C-N 3.31Å; N12-S16 WeakPolarHBondContact O-CB 2.98Å; N12-S16 PolarHBondContact O-N 2.73Å
13D89.5Confident80.9Confident83 Ų83113 Ų11344%0.44457%0.574SS.*Hα-helixtrans-63.8-40.1174.2-59.8-51.5000110.8M9 T10 S16 L17M9-D13 HydrophobicContact CG-CB 3.47Å; M9-D13 VanDerWaalsContact CG-CB 3.47Å; M9-D13 HydrophobicContact SD-CB 4.38Å; T10-D13 VanDerWaalsContact CB-OD2 3.27Å; T10-D13 WeakPolarHBondContact CB-OD2 3.38Å; T10-D13 WeakPolarHBondContact CG2-OD2 3.25Å; T10-D13 PolarHBondContact N-OD2 3.41Å; T10-D13 WeakPolarHBondContact O-CB 3.47Å; T10-D13 PolarHBondContact O-N 3.46Å; T10-D13 PolarHBondContact OG1-N 2.97Å; T10-D13 PolarHBondContact OG1-OD2 3.48Å; D13-S16 PolarHBondContact O-N 2.94Å; D13-L17 WeakPolarHBondContact O-CB 3.47Å; D13-L17 PolarHBondContact O-N 2.92Å
14M86.2Confident83Confident71 Ų71110 Ų11035%0.3556%0.557SS.*Hα-helixtrans-61.2-49.8177.1-170.3-17981.100111.4M9 T10 Y11 N12 S16 L17 E18M9-M14 HydrophobicContact CE-CB 4.08Å; M9-M14 HydrophobicContact CE-CG 4.1Å; T10-M14 PolarHBondContact O-N 3.04Å; Y11-M14 HydrophobicContact CD2-CE 3.94Å; Y11-M14 HydrophobicContact CE2-CE 4Å; Y11-M14 PolarHBondContact O-N 3.07Å; N12-M14 VanDerWaalsContact C-N 3.31Å; M14-S16 VanDerWaalsContact C-N 3.33Å; M14-S16 PolarHBondContact O-N 2.85Å; M14-L17 WeakPolarHBondContact O-CB 3.48Å; M14-L17 PolarHBondContact O-N 2.82Å; M14-L17 VanDerWaalsContact O-N 3.13Å; M14-E18 WeakPolarHBondContact O-CG 3.3Å; M14-E18 PolarHBondContact O-N 3.03Å
15I91.3Very high84.8Confident71 Ų71105.4 Ų105.436%0.36454%0.536SS..Hα-helixtrans-60.5-43.2175.1-68.7169.8000111Y11 L17 E18 E19Y11-I15 HydrophobicContact CD1-CD1 3.98Å; Y11-I15 HydrophobicContact CE1-CD1 3.49Å; Y11-I15 VanDerWaalsContact CE1-CD1 3.49Å; Y11-I15 HydrophobicContact CE2-CD1 4.38Å; Y11-I15 WeakPolarHBondContact O-CG1 3.47Å; Y11-I15 PolarHBondContact O-N 2.94Å; Y11-I15 VanDerWaalsContact O-N 3.14Å; I15-L17 PolarHBondContact O-N 3.38Å; I15-E18 PolarHBondContact O-N 3.06Å; I15-E19 WeakPolarHBondContact O-CB 3.39Å; I15-E19 PolarHBondContact O-N 3.18Å
16S90.7Very high86.4Confident43 Ų43101.8 Ų101.830%0.30152%0.519SS..Hα-helixtrans-65.4-28.7177.8-1680000112.8N12 D13 M14 K20N12-S16 WeakPolarHBondContact O-CB 2.98Å; N12-S16 PolarHBondContact O-N 2.73Å; D13-S16 PolarHBondContact O-N 2.94Å; M14-S16 VanDerWaalsContact C-N 3.33Å; M14-S16 PolarHBondContact O-N 2.85Å; S16-K20 WeakPolarHBondContact O-CB 3.35Å; S16-K20 VanDerWaalsContact O-CD 3.25Å; S16-K20 WeakPolarHBondContact O-CD 3.5Å; S16-K20 WeakPolarHBondContact O-CG 3.22Å; S16-K20 PolarHBondContact O-N 2.85Å; S16-K20 PolarHBondContact OG-NZ 2.8Å
17L91.8Very high88.2Confident82 Ų82101.9 Ų101.943%0.42951%0.51SS..Hα-helixtrans-75.7-42.8174.2-167.570.2000111.2M9 D13 M14 I15 K20 I21M9-L17 HydrophobicContact CE-CD2 4.03Å; M9-L17 HydrophobicContact SD-CD2 3.92Å; D13-L17 WeakPolarHBondContact O-CB 3.47Å; D13-L17 PolarHBondContact O-N 2.92Å; M14-L17 WeakPolarHBondContact O-CB 3.48Å; M14-L17 PolarHBondContact O-N 2.82Å; M14-L17 VanDerWaalsContact O-N 3.13Å; I15-L17 PolarHBondContact O-N 3.38Å; L17-K20 PolarHBondContact O-N 2.76Å; L17-I21 HydrophobicContact CD2-CD1 4.47Å; L17-I21 HydrophobicContact CG-CD1 3.97Å; L17-I21 WeakPolarHBondContact O-CB 3.4Å; L17-I21 VanDerWaalsContact O-CG1 3.24Å; L17-I21 WeakPolarHBondContact O-CG1 3.35Å; L17-I21 PolarHBondContact O-N 2.89Å
18E91.6Very high89.5Confident112 Ų11296.7 Ų96.752%0.52349%0.492SS..Hα-helixtrans-59.9-44.4174.1-73.4177.7171.700111.9M14 I15 I21 K22M14-E18 WeakPolarHBondContact O-CG 3.3Å; M14-E18 PolarHBondContact O-N 3.03Å; I15-E18 PolarHBondContact O-N 3.06Å; E18-I21 PolarHBondContact O-N 3.15Å; E18-K22 WeakPolarHBondContact O-CB 3.33Å; E18-K22 PolarHBondContact O-N 2.78Å
19E94Very high90.9Very high121 Ų12196.1 Ų96.157%0.56548%0.483SS*.Hα-helixtrans-63-42.9176.4-175174-144.100111.9I15 K22 I23I15-E19 WeakPolarHBondContact O-CB 3.39Å; I15-E19 PolarHBondContact O-N 3.18Å; E19-K22 WeakPolarHBondContact O-CB 3.49Å; E19-K22 PolarHBondContact O-N 2.79Å; E19-I23 HydrophobicContact CG-CD1 4.01Å; E19-I23 WeakPolarHBondContact O-CG1 3.17Å; E19-I23 PolarHBondContact O-N 3.48Å
20K94.7Very high92Very high117 Ų11793.1 Ų93.151%0.50948%0.479SS..Hα-helixtrans-63.3-44.6174.3-74.1165-173.3136.70112S16 L17 K22 I23 T24S16-K20 WeakPolarHBondContact O-CB 3.35Å; S16-K20 VanDerWaalsContact O-CD 3.25Å; S16-K20 WeakPolarHBondContact O-CD 3.5Å; S16-K20 WeakPolarHBondContact O-CG 3.22Å; S16-K20 PolarHBondContact O-N 2.85Å; S16-K20 PolarHBondContact OG-NZ 2.8Å; L17-K20 PolarHBondContact O-N 2.76Å; K20-K22 VanDerWaalsContact C-N 3.28Å; K20-K22 PolarHBondContact O-N 2.77Å; K20-I23 PolarHBondContact O-N 2.98Å; K20-T24 WeakPolarHBondContact O-CB 3.46Å; K20-T24 PolarHBondContact O-N 2.94Å; K20-T24 PolarHBondContact O-OG1 3.35Å
21I94.5Very high92.7Very high103 Ų10393.8 Ų93.853%0.52848%0.48SS..Hα-helixtrans-60.4-40.4175.9-72165.7000110.4L17 E18 S25L17-I21 HydrophobicContact CD2-CD1 4.47Å; L17-I21 HydrophobicContact CG-CD1 3.97Å; L17-I21 WeakPolarHBondContact O-CB 3.4Å; L17-I21 VanDerWaalsContact O-CG1 3.24Å; L17-I21 WeakPolarHBondContact O-CG1 3.35Å; L17-I21 PolarHBondContact O-N 2.89Å; E18-I21 PolarHBondContact O-N 3.15Å; I21-S25 VanDerWaalsContact O-CB 3.29Å; I21-S25 WeakPolarHBondContact O-CB 3.37Å; I21-S25 PolarHBondContact O-N 3.02Å; I21-S25 PolarHBondContact O-OG 2.89Å; I21-S25 VanDerWaalsContact O-OG 3.06Å
22K94.9Very high93.4Very high109 Ų10992.1 Ų92.147%0.47448%0.476SS..Hα-helixtrans-62.7-52.3175.1-177.6-177.6171.5-61.60111.4E18 E19 K20 T24 S25 E26E18-K22 WeakPolarHBondContact O-CB 3.33Å; E18-K22 PolarHBondContact O-N 2.78Å; E19-K22 WeakPolarHBondContact O-CB 3.49Å; E19-K22 PolarHBondContact O-N 2.79Å; K20-K22 VanDerWaalsContact C-N 3.28Å; K20-K22 PolarHBondContact O-N 2.77Å; K22-T24 PolarHBondContact O-N 2.95Å; K22-S25 PolarHBondContact O-N 2.98Å; K22-S25 VanDerWaalsContact O-N 3.16Å; K22-S25 PolarHBondContact O-OG 3.44Å; K22-E26 VanDerWaalsContact CE-OE1 3.31Å; K22-E26 WeakPolarHBondContact CE-OE1 3.36Å; K22-E26 IonicContact NZ-OE1 2.64Å; K22-E26 PolarHBondContact NZ-OE1 3.29Å; K22-E26 IonicContact NZ-OE2 2.98Å; K22-E26 PolarHBondContact NZ-OE2 3.45Å; K22-E26 WeakPolarHBondContact O-CG 3.49Å; K22-E26 PolarHBondContact O-N 3.07Å
23I94.2Very high93.9Very high93 Ų9388.8 Ų88.848%0.47746%0.462SS..Hα-helixtrans-59.3-47.1179.5-67.8165.6000110.9E19 K20 S25 E26 E27E19-I23 HydrophobicContact CG-CD1 4.01Å; E19-I23 WeakPolarHBondContact O-CG1 3.17Å; E19-I23 PolarHBondContact O-N 3.48Å; K20-I23 PolarHBondContact O-N 2.98Å; I23-S25 VanDerWaalsContact C-N 3.34Å; I23-S25 PolarHBondContact O-N 3.31Å; I23-E26 PolarHBondContact O-N 3.3Å; I23-E27 WeakPolarHBondContact O-CB 3.4Å; I23-E27 PolarHBondContact O-N 3.25Å
24T95Very high94.2Very high70 Ų7091 Ų9143%0.42947%0.465SS..Hα-helixtrans-66.8-31.4177.7-63.10000112.7K20 K22 N28K20-T24 WeakPolarHBondContact O-CB 3.46Å; K20-T24 PolarHBondContact O-N 2.94Å; K20-T24 PolarHBondContact O-OG1 3.35Å; K22-T24 PolarHBondContact O-N 2.95Å; T24-N28 WeakPolarHBondContact O-CB 3.36Å; T24-N28 PolarHBondContact O-N 3.37Å; T24-N28 PolarHBondContact O-ND2 3.18Å
25S94.8Very high94.8Very high55 Ų5592.2 Ų92.239%0.38547%0.472SS..Hα-helixtrans-73.1-36.8174.265.20000112.4I21 K22 I23 N28 I29I21-S25 VanDerWaalsContact O-CB 3.29Å; I21-S25 WeakPolarHBondContact O-CB 3.37Å; I21-S25 PolarHBondContact O-N 3.02Å; I21-S25 PolarHBondContact O-OG 2.89Å; I21-S25 VanDerWaalsContact O-OG 3.06Å; K22-S25 PolarHBondContact O-N 2.98Å; K22-S25 VanDerWaalsContact O-N 3.16Å; K22-S25 PolarHBondContact O-OG 3.44Å; I23-S25 VanDerWaalsContact C-N 3.34Å; I23-S25 PolarHBondContact O-N 3.31Å; S25-N28 PolarHBondContact O-N 3.02Å; S25-I29 WeakPolarHBondContact O-CD1 3.43Å; S25-I29 VanDerWaalsContact O-CG1 3.26Å; S25-I29 WeakPolarHBondContact O-CG1 3.4Å; S25-I29 PolarHBondContact O-N 3.32Å
26E94.7Very high95Very high99 Ų9993.6 Ų93.646%0.46348%0.477SS..Hα-helixtrans-63.6-41.8171.4-73.7169.2172.600111.6K22 I23 I29 G30K22-E26 VanDerWaalsContact CE-OE1 3.31Å; K22-E26 WeakPolarHBondContact CE-OE1 3.36Å; K22-E26 IonicContact NZ-OE1 2.64Å; K22-E26 PolarHBondContact NZ-OE1 3.29Å; K22-E26 IonicContact NZ-OE2 2.98Å; K22-E26 PolarHBondContact NZ-OE2 3.45Å; K22-E26 WeakPolarHBondContact O-CG 3.49Å; K22-E26 PolarHBondContact O-N 3.07Å; I23-E26 PolarHBondContact O-N 3.3Å; E26-I29 PolarHBondContact O-N 3.23Å; E26-G30 PolarHBondContact O-N 3.06Å
27E95.8Very high95.3Very high113 Ų11397.5 Ų97.553%0.52849%0.485SS..Hα-helixtrans-61-46.1172.2-175.6179.7-166.900112.1I23 I29 G30 L31I23-E27 WeakPolarHBondContact O-CB 3.4Å; I23-E27 PolarHBondContact O-N 3.25Å; E27-I29 VanDerWaalsContact C-N 3.33Å; E27-I29 PolarHBondContact O-N 3.14Å; E27-G30 PolarHBondContact O-N 2.89Å; E27-G30 VanDerWaalsContact O-N 3.16Å; E27-L31 HydrophobicContact CG-CD1 4.11Å; E27-L31 HydrophobicContact CG-CG 4.5Å; E27-L31 WeakPolarHBondContact O-CG 3.37Å; E27-L31 PolarHBondContact O-N 3Å
28N95.2Very high95.6Very high94 Ų9497 Ų9750%0.50348%0.481SS..Hα-helixtrans-63.1-36.6177.3-88.1-90.9000112.5T24 S25 K32T24-N28 WeakPolarHBondContact O-CB 3.36Å; T24-N28 PolarHBondContact O-N 3.37Å; T24-N28 PolarHBondContact O-ND2 3.18Å; S25-N28 PolarHBondContact O-N 3.02Å; N28-K32 VanDerWaalsContact O-CB 3.27Å; N28-K32 WeakPolarHBondContact O-CB 3.39Å; N28-K32 PolarHBondContact O-N 3.2Å
29I95.4Very high95.8Very high119 Ų11996 Ų9661%0.6148%0.48SS*.Hα-helixtrans-64.4-43.5173.4-69.7162.3000110.4S25 E26 E27 K32 S33S25-I29 WeakPolarHBondContact O-CD1 3.43Å; S25-I29 VanDerWaalsContact O-CG1 3.26Å; S25-I29 WeakPolarHBondContact O-CG1 3.4Å; S25-I29 PolarHBondContact O-N 3.32Å; E26-I29 PolarHBondContact O-N 3.23Å; E27-I29 VanDerWaalsContact C-N 3.33Å; E27-I29 PolarHBondContact O-N 3.14Å; I29-K32 PolarHBondContact O-N 2.97Å; I29-S33 PolarHBondContact O-N 3.29Å
30G96.2Very high95.9Very high43 Ų4393.8 Ų93.844%0.44348%0.477SS..Hα-helixtrans-61.2-48.3175.600000113E26 E27 K32 S33 Y34E26-G30 PolarHBondContact O-N 3.06Å; E27-G30 PolarHBondContact O-N 2.89Å; E27-G30 VanDerWaalsContact O-N 3.16Å; G30-K32 PolarHBondContact O-N 2.85Å; G30-S33 PolarHBondContact O-N 3.29Å; G30-Y34 PolarHBondContact O-N 3.22Å
31L97.6Very high95.9Very high88 Ų8892.8 Ų92.846%0.46147%0.474SS..Hα-helixtrans-61.9-41.9176.4-70.7171.7000111.9E27 Y34 I35E27-L31 HydrophobicContact CG-CD1 4.11Å; E27-L31 HydrophobicContact CG-CG 4.5Å; E27-L31 WeakPolarHBondContact O-CG 3.37Å; E27-L31 PolarHBondContact O-N 3Å; L31-Y34 WeakPolarHBondContact O-CB 3.47Å; L31-Y34 PolarHBondContact O-N 3.48Å; L31-I35 VanDerWaalsContact O-CG1 3.31Å; L31-I35 WeakPolarHBondContact O-CG1 3.48Å; L31-I35 PolarHBondContact O-N 2.98Å
32K97Very high96Very high126 Ų12691.6 Ų91.655%0.54847%0.474SS..Hα-helixtrans-62.1-45.5176.1-173172.5-175.3-81.40111.7N28 I29 G30 Y34 I35 E36N28-K32 VanDerWaalsContact O-CB 3.27Å; N28-K32 WeakPolarHBondContact O-CB 3.39Å; N28-K32 PolarHBondContact O-N 3.2Å; I29-K32 PolarHBondContact O-N 2.97Å; G30-K32 PolarHBondContact O-N 2.85Å; K32-Y34 VanDerWaalsContact C-N 3.3Å; K32-Y34 PolarHBondContact O-N 3.4Å; K32-I35 PolarHBondContact O-N 3.17Å; K32-E36 WeakPolarHBondContact CE-OE1 3.14Å; K32-E36 IonicContact NZ-OE1 3.71Å; K32-E36 PolarHBondContact NZ-OE1 3.25Å; K32-E36 WeakPolarHBondContact O-CB 3.24Å; K32-E36 WeakPolarHBondContact O-CG 3.49Å; K32-E36 PolarHBondContact O-N 3.17Å
33S96.1Very high96Very high53 Ų5393.1 Ų93.137%0.37149%0.485SS..Hα-helixtrans-63.8-34.3176-177.60000112.8I29 G30 R37I29-S33 PolarHBondContact O-N 3.29Å; G30-S33 PolarHBondContact O-N 3.29Å; S33-R37 WeakPolarHBondContact O-CB 3.44Å; S33-R37 PolarHBondContact O-N 2.69Å; S33-R37 VanDerWaalsContact O-N 3.11Å
34Y97.2Very high95.9Very high130 Ų13095.1 Ų95.151%0.5149%0.492SS..Hα-helixtrans-66.6-44.7173.5-179.3-98.8000112G30 L31 K32 R37 M38G30-Y34 PolarHBondContact O-N 3.22Å; L31-Y34 WeakPolarHBondContact O-CB 3.47Å; L31-Y34 PolarHBondContact O-N 3.48Å; K32-Y34 VanDerWaalsContact C-N 3.3Å; K32-Y34 PolarHBondContact O-N 3.4Å; Y34-R37 PolarHBondContact O-N 3.34Å; Y34-M38 HydrophobicContact CD1-CG 4.2Å; Y34-M38 HydrophobicContact CE1-CG 3.8Å; Y34-M38 HydrophobicContact CE1-SD 4.27Å; Y34-M38 HydrophobicContact CE2-CG 4.19Å; Y34-M38 HydrophobicContact CE2-SD 4.43Å; Y34-M38 WeakPolarHBondContact O-CB 3.48Å; Y34-M38 VanDerWaalsContact O-CG 3.31Å; Y34-M38 WeakPolarHBondContact O-CG 3.46Å; Y34-M38 PolarHBondContact O-N 3.15Å
35I97.5Very high96Very high95 Ų9597.5 Ų97.549%0.48750%0.502SS..Hα-helixtrans-63.5-44176.3-68.9163.5000111.2L31 K32 R37 M38 N39L31-I35 VanDerWaalsContact O-CG1 3.31Å; L31-I35 WeakPolarHBondContact O-CG1 3.48Å; L31-I35 PolarHBondContact O-N 2.98Å; K32-I35 PolarHBondContact O-N 3.17Å; I35-R37 VanDerWaalsContact C-N 3.32Å; I35-R37 PolarHBondContact O-N 2.59Å; I35-M38 PolarHBondContact O-N 2.89Å; I35-N39 WeakPolarHBondContact O-CB 3.28Å; I35-N39 VanDerWaalsContact O-CG 3.25Å; I35-N39 PolarHBondContact O-N 3.38Å; I35-N39 PolarHBondContact O-ND2 3.17Å
36E96.5Very high96Very high100 Ų10098.9 Ų98.947%0.46751%0.505SS..Hα-helixtrans-59.9-41.5176.9-74.9168.1173.900111.8K32 S40K32-E36 WeakPolarHBondContact CE-OE1 3.14Å; K32-E36 IonicContact NZ-OE1 3.71Å; K32-E36 PolarHBondContact NZ-OE1 3.25Å; K32-E36 WeakPolarHBondContact O-CB 3.24Å; K32-E36 WeakPolarHBondContact O-CG 3.49Å; K32-E36 PolarHBondContact O-N 3.17Å; E36-S40 PolarHBondContact O-N 2.68Å
37R96.1Very high96Very high126 Ų12696.5 Ų96.548%0.47550%0.502SS..Hα-helixtrans-66.7-48175.9-163.5-171.9-50128.417.3112.4S33 Y34 I35 N39 S40 E41S33-R37 WeakPolarHBondContact O-CB 3.44Å; S33-R37 PolarHBondContact O-N 2.69Å; S33-R37 VanDerWaalsContact O-N 3.11Å; Y34-R37 PolarHBondContact O-N 3.34Å; I35-R37 VanDerWaalsContact C-N 3.32Å; I35-R37 PolarHBondContact O-N 2.59Å; R37-N39 VanDerWaalsContact C-N 3.3Å; R37-N39 PolarHBondContact O-N 3Å; R37-S40 WeakPolarHBondContact O-CA 3.3Å; R37-S40 WeakPolarHBondContact O-CB 3.33Å; R37-S40 PolarHBondContact O-N 2.76Å; R37-E41 WeakPolarHBondContact CG-OE1 3.44Å; R37-E41 PolarHBondContact O-N 3.28Å
38M97.7Very high95.8Very high71 Ų7194.9 Ų94.935%0.3550%0.5SS..Hα-helixtrans-63.3-35.5178.6-70.6-93.770.200112.3Y34 I35 E41 C42Y34-M38 HydrophobicContact CD1-CG 4.2Å; Y34-M38 HydrophobicContact CE1-CG 3.8Å; Y34-M38 HydrophobicContact CE1-SD 4.27Å; Y34-M38 HydrophobicContact CE2-CG 4.19Å; Y34-M38 HydrophobicContact CE2-SD 4.43Å; Y34-M38 WeakPolarHBondContact O-CB 3.48Å; Y34-M38 VanDerWaalsContact O-CG 3.31Å; Y34-M38 WeakPolarHBondContact O-CG 3.46Å; Y34-M38 PolarHBondContact O-N 3.15Å; I35-M38 PolarHBondContact O-N 2.89Å; M38-E41 HydrophobicContact CE-CB 4.36Å; M38-E41 WeakPolarHBondContact CE-OE2 3.48Å; M38-C42 VanDerWaalsContact O-CB 3.25Å; M38-C42 WeakPolarHBondContact O-CB 3.15Å; M38-C42 PolarHBondContact O-N 2.94Å
39N96.8Very high95.8Very high92 Ų9295.5 Ų95.549%0.49250%0.503SS..Hα-helixtrans-65.4-40.4171.5-74.5-22.2000111.5I35 R37 C42 M43I35-N39 WeakPolarHBondContact O-CB 3.28Å; I35-N39 VanDerWaalsContact O-CG 3.25Å; I35-N39 PolarHBondContact O-N 3.38Å; I35-N39 PolarHBondContact O-ND2 3.17Å; R37-N39 VanDerWaalsContact C-N 3.3Å; R37-N39 PolarHBondContact O-N 3Å; N39-C42 PolarHBondContact O-N 3.35Å; N39-M43 WeakPolarHBondContact O-CB 3.14Å; N39-M43 VanDerWaalsContact O-CG 3.27Å; N39-M43 WeakPolarHBondContact O-CG 3.37Å; N39-M43 PolarHBondContact O-N 2.96Å
40S95.7Very high95.8Very high73 Ų7395.8 Ų95.851%0.5150%0.5SS..Hα-helixtrans-62.1-47.5175.2-165.90000112.1E36 R37 C42 M43 E44E36-S40 PolarHBondContact O-N 2.68Å; R37-S40 WeakPolarHBondContact O-CA 3.3Å; R37-S40 WeakPolarHBondContact O-CB 3.33Å; R37-S40 PolarHBondContact O-N 2.76Å; S40-C42 VanDerWaalsContact C-N 3.3Å; S40-C42 PolarHBondContact O-N 3.31Å; S40-M43 PolarHBondContact O-N 2.7Å; S40-E44 PolarHBondContact O-N 3.31Å
41E94.8Very high95.7Very high96 Ų96100.6 Ų100.645%0.44951%0.511SS..Hα-helixtrans-61.2-39.1176.3-69.4172.8-137.100111.5R37 M38 L45R37-E41 WeakPolarHBondContact CG-OE1 3.44Å; R37-E41 PolarHBondContact O-N 3.28Å; M38-E41 HydrophobicContact CE-CB 4.36Å; M38-E41 WeakPolarHBondContact CE-OE2 3.48Å; E41-L45 WeakPolarHBondContact O-CB 3.4Å; E41-L45 PolarHBondContact O-N 3.42Å
42C96.6Very high95.4Very high78 Ų7899.4 Ų99.453%0.52750%0.503SS..Hα-helixtrans-65.6-40174.7-172.40000112.5M38 N39 S40 N46M38-C42 VanDerWaalsContact O-CB 3.25Å; M38-C42 WeakPolarHBondContact O-CB 3.15Å; M38-C42 PolarHBondContact O-N 2.94Å; N39-C42 PolarHBondContact O-N 3.35Å; S40-C42 VanDerWaalsContact C-N 3.3Å; S40-C42 PolarHBondContact O-N 3.31Å; C42-N46 VanDerWaalsContact O-CB 3.26Å; C42-N46 WeakPolarHBondContact O-CB 3.37Å; C42-N46 PolarHBondContact O-N 3.23Å
43M95.2Very high95.2Very high141 Ų14195.2 Ų95.270%0.69549%0.491SS*.Hα-helixtrans-67.8-40176.9-73176.271.500112.3N39 S40 N46 A47N39-M43 WeakPolarHBondContact O-CB 3.14Å; N39-M43 VanDerWaalsContact O-CG 3.27Å; N39-M43 WeakPolarHBondContact O-CG 3.37Å; N39-M43 PolarHBondContact O-N 2.96Å; S40-M43 PolarHBondContact O-N 2.7Å; M43-N46 PolarHBondContact O-N 3.46Å; M43-A47 WeakPolarHBondContact O-CB 3.41Å; M43-A47 PolarHBondContact O-N 3.45Å
44E92.3Very high95.1Very high135 Ų13597 Ų9763%0.63150%0.497SS*.Hα-helixtrans-65.1-44175-174.6176177.200111.8S40 N46 A47 T48S40-E44 PolarHBondContact O-N 3.31Å; E44-N46 PolarHBondContact O-N 3.02Å; E44-A47 PolarHBondContact O-N 3.03Å; E44-T48 WeakPolarHBondContact O-CB 3.31Å; E44-T48 PolarHBondContact O-N 2.91Å; E44-T48 PolarHBondContact O-OG1 3.34Å
45L96.6Very high94.9Very high120 Ų12097.2 Ų97.263%0.62850%0.497SS*.Hα-helixtrans-62.1-42.8174.6178.860.6000111.9E41 T48 L49E41-L45 WeakPolarHBondContact O-CB 3.4Å; E41-L45 PolarHBondContact O-N 3.42Å; L45-T48 PolarHBondContact O-N 3.47Å; L45-L49 WeakPolarHBondContact O-CB 3.28Å; L45-L49 PolarHBondContact O-N 3.18Å
46N95.1Very high94.5Very high85 Ų8597.7 Ų97.746%0.45550%0.498SS..Hα-helixtrans-65.5-42.1178.6-169.642.7000111.7C42 M43 E44 L49 F50C42-N46 VanDerWaalsContact O-CB 3.26Å; C42-N46 WeakPolarHBondContact O-CB 3.37Å; C42-N46 PolarHBondContact O-N 3.23Å; M43-N46 PolarHBondContact O-N 3.46Å; E44-N46 PolarHBondContact O-N 3.02Å; N46-L49 PolarHBondContact O-N 2.84Å; N46-F50 VanDerWaalsContact O-CD2 3.3Å; N46-F50 WeakPolarHBondContact O-CD2 3.32Å; N46-F50 PolarHBondContact O-N 2.55Å
47A94.5Very high94.4Very high49 Ų4996.9 Ų96.941%0.40550%0.5SS..Hα-helixtrans-60-47.2173.300000111.6M43 E44 L49 F50 E51M43-A47 WeakPolarHBondContact O-CB 3.41Å; M43-A47 PolarHBondContact O-N 3.45Å; E44-A47 PolarHBondContact O-N 3.03Å; A47-L49 VanDerWaalsContact C-N 3.29Å; A47-L49 PolarHBondContact O-N 3.46Å; A47-F50 PolarHBondContact O-N 3.22Å; A47-F50 VanDerWaalsContact O-N 3.16Å; A47-E51 PolarHBondContact O-N 2.82Å
48T92.9Very high94.2Very high78 Ų7897.2 Ų97.248%0.47951%0.507SS..Hα-helixtrans-58.6-39.9176.3-55.10000111.9E44 L45 E51 E52E44-T48 WeakPolarHBondContact O-CB 3.31Å; E44-T48 PolarHBondContact O-N 2.91Å; E44-T48 PolarHBondContact O-OG1 3.34Å; L45-T48 PolarHBondContact O-N 3.47Å; T48-E51 PolarHBondContact O-N 2.8Å; T48-E52 WeakPolarHBondContact O-CB 3.33Å; T48-E52 PolarHBondContact O-N 3.4Å
49L93.6Very high93.7Very high108 Ų10896.4 Ų96.457%0.56550%0.502SS*.Hα-helixtrans-67.4-37.9177.4-176.461.7000112.5L45 N46 A47 A53L45-L49 WeakPolarHBondContact O-CB 3.28Å; L45-L49 PolarHBondContact O-N 3.18Å; N46-L49 PolarHBondContact O-N 2.84Å; A47-L49 VanDerWaalsContact C-N 3.29Å; A47-L49 PolarHBondContact O-N 3.46Å; L49-A53 VanDerWaalsContact O-CB 3.31Å; L49-A53 WeakPolarHBondContact O-CB 3.37Å; L49-A53 PolarHBondContact O-N 3.45Å
50F96.4Very high93.3Very high125 Ų12594.8 Ų94.855%0.54850%0.501SS..Hα-helixtrans-67.4-40.5173.2-87-70.6000112.5N46 A47 A53 N54N46-F50 VanDerWaalsContact O-CD2 3.3Å; N46-F50 WeakPolarHBondContact O-CD2 3.32Å; N46-F50 PolarHBondContact O-N 2.55Å; A47-F50 PolarHBondContact O-N 3.22Å; A47-F50 VanDerWaalsContact O-N 3.16Å; F50-A53 PolarHBondContact O-N 2.92Å; F50-N54 WeakPolarHBondContact O-CB 3.09Å; F50-N54 VanDerWaalsContact O-CG 3.27Å; F50-N54 PolarHBondContact O-N 3.11Å; F50-N54 PolarHBondContact O-ND2 3Å; F50-N54 VanDerWaalsContact O-ND2 3.13Å
51E92.7Very high93Very high144 Ų14494.9 Ų94.967%0.67350%0.496SS*.Hα-helixtrans-61.6-44.8173.8-72-174.8-172.100111.8A47 T48 N54 R55A47-E51 PolarHBondContact O-N 2.82Å; T48-E51 PolarHBondContact O-N 2.8Å; E51-N54 PolarHBondContact O-N 3.45Å; E51-R55 WeakPolarHBondContact O-CB 3.21Å; E51-R55 PolarHBondContact O-N 2.81Å
52E92.7Very high92.7Very high62 Ų6294 Ų9429%0.2950%0.5SS..Hα-helixtrans-64.8-43.8177.1-177.258.5-11500112.2T48 N54 R55 M56T48-E52 WeakPolarHBondContact O-CB 3.33Å; T48-E52 PolarHBondContact O-N 3.4Å; E52-N54 PolarHBondContact O-N 2.81Å; E52-R55 VanDerWaalsContact CD-CZ 3.43Å; E52-R55 WeakPolarHBondContact O-CB 3.39Å; E52-R55 PolarHBondContact O-N 3.46Å; E52-R55 IonicContact OE1-CZ 2.81Å; E52-R55 IonicContact OE1-NE 3.68Å; E52-R55 PolarHBondContact OE1-NE 2.94Å; E52-R55 IonicContact OE1-NH2 2.76Å; E52-R55 PolarHBondContact OE1-NH2 3.2Å; E52-R55 IonicContact OE2-CZ 3.86Å; E52-R55 IonicContact OE2-NE 2.67Å; E52-R55 IonicContact OE2-NH1 3.64Å; E52-R55 PolarHBondContact OE2-NH1 3.44Å; E52-R55 IonicContact OE2-NH2 3.26Å; E52-R55 PolarHBondContact OE2-NH2 2.97Å; E52-M56 HydrophobicContact CG-CE 4.25Å; E52-M56 WeakPolarHBondContact O-CG 3.45Å; E52-M56 PolarHBondContact O-N 3.47Å
53A92.3Very high92.5Very high38 Ų3895.7 Ų95.731%0.31450%0.499SS..Hα-helixtrans-60.2-46.8175.800000111.9L49 F50 R55 M56 V57L49-A53 VanDerWaalsContact O-CB 3.31Å; L49-A53 WeakPolarHBondContact O-CB 3.37Å; L49-A53 PolarHBondContact O-N 3.45Å; F50-A53 PolarHBondContact O-N 2.92Å; A53-R55 VanDerWaalsContact C-N 3.32Å; A53-R55 PolarHBondContact O-N 3.5Å; A53-M56 PolarHBondContact O-N 3.06Å; A53-V57 WeakPolarHBondContact O-CG2 3.26Å; A53-V57 PolarHBondContact O-N 2.72Å
54N93.5Very high92.2Very high92 Ų9294.5 Ų94.549%0.49249%0.492SS..Hα-helixtrans-62.6-39176-72.9-31.2000111.8F50 E51 E52 V57 H58F50-N54 WeakPolarHBondContact O-CB 3.09Å; F50-N54 VanDerWaalsContact O-CG 3.27Å; F50-N54 PolarHBondContact O-N 3.11Å; F50-N54 PolarHBondContact O-ND2 3Å; F50-N54 VanDerWaalsContact O-ND2 3.13Å; E51-N54 PolarHBondContact O-N 3.45Å; E52-N54 PolarHBondContact O-N 2.81Å; N54-V57 PolarHBondContact O-N 3.38Å; N54-H58 PolarHBondContact O-CD2 2.94Å; N54-H58 PolarHBondContact O-N 3.44Å
55R94.6Very high92.1Very high134 Ų13493.2 Ų93.251%0.50649%0.485SS..Hα-helixtrans-59.9-48.8174.9-171.4-175.576.6-179.85.8111.7E51 E52 A53 V57 H58 E59E51-R55 WeakPolarHBondContact O-CB 3.21Å; E51-R55 PolarHBondContact O-N 2.81Å; E52-R55 VanDerWaalsContact CD-CZ 3.43Å; E52-R55 WeakPolarHBondContact O-CB 3.39Å; E52-R55 PolarHBondContact O-N 3.46Å; E52-R55 IonicContact OE1-CZ 2.81Å; E52-R55 IonicContact OE1-NE 3.68Å; E52-R55 PolarHBondContact OE1-NE 2.94Å; E52-R55 IonicContact OE1-NH2 2.76Å; E52-R55 PolarHBondContact OE1-NH2 3.2Å; E52-R55 IonicContact OE2-CZ 3.86Å; E52-R55 IonicContact OE2-NE 2.67Å; E52-R55 IonicContact OE2-NH1 3.64Å; E52-R55 PolarHBondContact OE2-NH1 3.44Å; E52-R55 IonicContact OE2-NH2 3.26Å; E52-R55 PolarHBondContact OE2-NH2 2.97Å; A53-R55 VanDerWaalsContact C-N 3.32Å; A53-R55 PolarHBondContact O-N 3.5Å; R55-V57 VanDerWaalsContact C-N 3.33Å; R55-V57 PolarHBondContact O-N 2.99Å; R55-H58 PolarHBondContact O-N 3.12Å; R55-E59 WeakPolarHBondContact O-CB 3.26Å; R55-E59 PolarHBondContact O-N 3.1Å
56M89.2Confident91.6Very high105 Ų10591.5 Ų91.552%0.51747%0.471SS..Hα-helixtrans-61.8-39.8178.4-70.8-172.7-68.100112.2E52 A53 E59 A60E52-M56 HydrophobicContact CG-CE 4.25Å; E52-M56 WeakPolarHBondContact O-CG 3.45Å; E52-M56 PolarHBondContact O-N 3.47Å; A53-M56 PolarHBondContact O-N 3.06Å; M56-E59 PolarHBondContact O-N 3.23Å; M56-A60 WeakPolarHBondContact O-CB 3.36Å; M56-A60 PolarHBondContact O-N 2.84Å
57V92.5Very high91.2Very high83 Ų8390.2 Ų90.250%0.50347%0.472SS..Hα-helixtrans-63.9-45.8175.6170.60000111.4A53 N54 R55 E59 A60 L61A53-V57 WeakPolarHBondContact O-CG2 3.26Å; A53-V57 PolarHBondContact O-N 2.72Å; N54-V57 PolarHBondContact O-N 3.38Å; R55-V57 VanDerWaalsContact C-N 3.33Å; R55-V57 PolarHBondContact O-N 2.99Å; V57-E59 PolarHBondContact O-N 3.47Å; V57-A60 PolarHBondContact O-N 3.36Å; V57-L61 HydrophobicContact CG1-CD1 3.89Å; V57-L61 HydrophobicContact CG1-CG 4.48Å; V57-L61 WeakPolarHBondContact O-CB 3.44Å; V57-L61 WeakPolarHBondContact O-CG 3.46Å; V57-L61 PolarHBondContact O-N 3.47Å
58H92.4Very high91Very high132 Ų13292.1 Ų92.161%0.61148%0.478SS*.Hα-helixtrans-64-37.9176.1-74.3-53.5000112.9N54 R55 S62N54-H58 PolarHBondContact O-CD2 2.94Å; N54-H58 PolarHBondContact O-N 3.44Å; R55-H58 PolarHBondContact O-N 3.12Å; H58-S62 WeakPolarHBondContact O-CB 3.44Å; H58-S62 PolarHBondContact O-N 3.27Å
59E86.7Confident90.9Very high54 Ų5495.4 Ų95.425%0.25248%0.482SS..Hα-helixtrans-65.2-42.6175.4-171.6-179.4159.200111.7R55 M56 V57 S62 K63 I306R55-E59 WeakPolarHBondContact O-CB 3.26Å; R55-E59 PolarHBondContact O-N 3.1Å; M56-E59 PolarHBondContact O-N 3.23Å; V57-E59 PolarHBondContact O-N 3.47Å; E59-S62 PolarHBondContact O-N 3.11Å; E59-K63 HydrophobicContact CG-CD 4.4Å; E59-K63 WeakPolarHBondContact O-CG 3.43Å; E59-K63 PolarHBondContact O-N 3.2Å; E59-K63 VanDerWaalsContact OE1-CE 3.31Å; E59-K63 WeakPolarHBondContact OE1-CE 3.46Å; E59-K63 IonicContact OE1-NZ 3.81Å; E59-K63 PolarHBondContact OE1-NZ 3.33Å; E59-I306 VanDerWaalsContact OE2-CD1 3.27Å; E59-I306 WeakPolarHBondContact OE2-CD1 3.21Å
60A88.8Confident90.7Very high58 Ų5893.1 Ų93.148%0.47947%0.469SS..Hα-helixtrans-62.4-49.8175.800000112M56 V57 S62 K63 E64M56-A60 WeakPolarHBondContact O-CB 3.36Å; M56-A60 PolarHBondContact O-N 2.84Å; V57-A60 PolarHBondContact O-N 3.36Å; A60-S62 VanDerWaalsContact C-N 3.28Å; A60-S62 PolarHBondContact O-N 3.04Å; A60-K63 PolarHBondContact O-N 3.1Å; A60-E64 PolarHBondContact O-N 2.94Å
61L90.2Very high90.4Very high75 Ų7589.7 Ų89.739%0.39346%0.463SS..Hα-helixtrans-60.5-36.2177-71.9168.9000112.4V57 Q65V57-L61 HydrophobicContact CG1-CD1 3.89Å; V57-L61 HydrophobicContact CG1-CG 4.48Å; V57-L61 WeakPolarHBondContact O-CB 3.44Å; V57-L61 WeakPolarHBondContact O-CG 3.46Å; V57-L61 PolarHBondContact O-N 3.47Å; L61-Q65 WeakPolarHBondContact O-CB 3.37Å; L61-Q65 VanDerWaalsContact O-CG 3.31Å; L61-Q65 WeakPolarHBondContact O-CG 3.5Å; L61-Q65 PolarHBondContact O-N 3.06Å
62S87.2Confident90.5Very high77 Ų7789.2 Ų89.254%0.53846%0.459SS..Hα-helixtrans-65.7-45.4176-170.60000111.8H58 E59 A60 Q65 Y66H58-S62 WeakPolarHBondContact O-CB 3.44Å; H58-S62 PolarHBondContact O-N 3.27Å; E59-S62 PolarHBondContact O-N 3.11Å; A60-S62 VanDerWaalsContact C-N 3.28Å; A60-S62 PolarHBondContact O-N 3.04Å; S62-Q65 PolarHBondContact O-N 3.27Å; S62-Y66 WeakPolarHBondContact O-CB 3.47Å; S62-Y66 PolarHBondContact O-N 3.49Å
63K92.3Very high90.4Very high114 Ų11490.9 Ų90.950%0.49647%0.467SS..Hα-helixtrans-64.3-40.7176.3-71.1172.4-175.3173.40112.2E59 A60 Y66 A67E59-K63 HydrophobicContact CG-CD 4.4Å; E59-K63 WeakPolarHBondContact O-CG 3.43Å; E59-K63 PolarHBondContact O-N 3.2Å; E59-K63 VanDerWaalsContact OE1-CE 3.31Å; E59-K63 WeakPolarHBondContact OE1-CE 3.46Å; E59-K63 IonicContact OE1-NZ 3.81Å; E59-K63 PolarHBondContact OE1-NZ 3.33Å; A60-K63 PolarHBondContact O-N 3.1Å; K63-Y66 PolarHBondContact O-N 3.45Å; K63-A67 WeakPolarHBondContact O-CB 3.31Å; K63-A67 PolarHBondContact O-N 2.86Å
64E89.3Confident90.4Very high117 Ų11794.3 Ų94.355%0.54748%0.475SS..Hα-helixtrans-60.9-52.9174.3-177.7-177.9-164.800111.4A60 Y66 A67 V68A60-E64 PolarHBondContact O-N 2.94Å; E64-Y66 PolarHBondContact O-N 3.42Å; E64-A67 PolarHBondContact O-N 2.89Å; E64-A67 VanDerWaalsContact O-N 3.14Å; E64-V68 HydrophobicContact CG-CG2 4.31Å; E64-V68 WeakPolarHBondContact O-CB 3.31Å; E64-V68 WeakPolarHBondContact O-CG2 3.48Å; E64-V68 PolarHBondContact O-N 2.84Å
65Q89.9Confident90.4Very high107 Ų10794.7 Ų94.750%0.548%0.476SS..Hα-helixtrans-57.3-36.9178.6-76.3-176.334.600112.7L61 S62 R69L61-Q65 WeakPolarHBondContact O-CB 3.37Å; L61-Q65 VanDerWaalsContact O-CG 3.31Å; L61-Q65 WeakPolarHBondContact O-CG 3.5Å; L61-Q65 PolarHBondContact O-N 3.06Å; S62-Q65 PolarHBondContact O-N 3.27Å; Q65-R69 WeakPolarHBondContact O-CD 3.33Å; Q65-R69 VanDerWaalsContact O-CG 3.22Å; Q65-R69 WeakPolarHBondContact O-CG 3.45Å; Q65-R69 PolarHBondContact O-N 2.76Å
66Y87.3Confident90.2Very high85 Ų8593 Ų9333%0.33347%0.473SS..Hα-helixtrans-68.9-48.1175.5169.8-121.2000112.1S62 K63 E64 V68 R69 Q70 R154 E549S62-Y66 WeakPolarHBondContact O-CB 3.47Å; S62-Y66 PolarHBondContact O-N 3.49Å; K63-Y66 PolarHBondContact O-N 3.45Å; E64-Y66 PolarHBondContact O-N 3.42Å; Y66-V68 VanDerWaalsContact C-N 3.33Å; Y66-V68 PolarHBondContact O-N 3.48Å; Y66-R69 PolarHBondContact O-N 3.37Å; Y66-Q70 HydrophobicContact CD2-CG 3.93Å; Y66-Q70 HydrophobicContact CE1-CG 4.42Å; Y66-Q70 HydrophobicContact CE2-CG 3.37Å; Y66-Q70 WeakPolarHBondContact O-CG 3.35Å; Y66-Q70 PolarHBondContact O-N 2.77Å; Y66-R154 PolarHBondContact OH-NH1 3.18Å; Y66-R154 PolarHBondContact OH-NH2 3.41Å; Y66-E549 WeakPolarHBondContact CE1-OE1 3.27Å; Y66-E549 VanDerWaalsContact CZ-OE1 3.29Å; Y66-E549 PolarHBondContact OH-OE1 2.92Å
67A87.1Confident90.4Very high57 Ų5792.1 Ų92.147%0.47147%0.468SS..Hα-helixtrans-59.9-41.5177.500000112.3K63 E64 R69 Q70 A71K63-A67 WeakPolarHBondContact O-CB 3.31Å; K63-A67 PolarHBondContact O-N 2.86Å; E64-A67 PolarHBondContact O-N 2.89Å; E64-A67 VanDerWaalsContact O-N 3.14Å; A67-R69 PolarHBondContact O-N 2.97Å; A67-Q70 PolarHBondContact O-N 3.15Å; A67-A71 WeakPolarHBondContact O-CB 3.49Å; A67-A71 PolarHBondContact O-N 3.38Å
68V89.9Confident90.2Very high89 Ų8992.2 Ų92.254%0.53947%0.465SS..Hα-helixtrans-63.8-38.7176.8170.60000111.9E64 Y66 K72E64-V68 HydrophobicContact CG-CG2 4.31Å; E64-V68 WeakPolarHBondContact O-CB 3.31Å; E64-V68 WeakPolarHBondContact O-CG2 3.48Å; E64-V68 PolarHBondContact O-N 2.84Å; Y66-V68 VanDerWaalsContact C-N 3.33Å; Y66-V68 PolarHBondContact O-N 3.48Å; V68-K72 WeakPolarHBondContact O-CB 3.36Å; V68-K72 PolarHBondContact O-N 3.24Å
69R91.4Very high90.2Very high148 Ų14891.6 Ų91.656%0.55846%0.463SS*.Hα-helixtrans-65.3-50.7174.6-70.9169.1-158.5-171.19111.4Q65 Y66 A67 A71 K72 E73Q65-R69 WeakPolarHBondContact O-CD 3.33Å; Q65-R69 VanDerWaalsContact O-CG 3.22Å; Q65-R69 WeakPolarHBondContact O-CG 3.45Å; Q65-R69 PolarHBondContact O-N 2.76Å; Y66-R69 PolarHBondContact O-N 3.37Å; A67-R69 PolarHBondContact O-N 2.97Å; R69-A71 VanDerWaalsContact C-N 3.29Å; R69-A71 PolarHBondContact O-N 2.99Å; R69-K72 PolarHBondContact O-N 3.17Å; R69-K72 VanDerWaalsContact O-N 3.12Å; R69-E73 WeakPolarHBondContact O-CG 3.38Å; R69-E73 PolarHBondContact O-N 2.78Å
70Q88Confident90.5Very high60 Ų6094.3 Ų94.328%0.2848%0.478SS..Hα-helixtrans-57.6-40.8177.4-69.4-73.8130.900112.1Y66 A67 K74Y66-Q70 HydrophobicContact CD2-CG 3.93Å; Y66-Q70 HydrophobicContact CE1-CG 4.42Å; Y66-Q70 HydrophobicContact CE2-CG 3.37Å; Y66-Q70 WeakPolarHBondContact O-CG 3.35Å; Y66-Q70 PolarHBondContact O-N 2.77Å; A67-Q70 PolarHBondContact O-N 3.15Å; Q70-K74 WeakPolarHBondContact O-CG 3.49Å; Q70-K74 PolarHBondContact O-N 3.19Å; Q70-K74 VanDerWaalsContact O-N 3.1Å
71A91Very high90.7Very high52 Ų5295.6 Ų95.643%0.4348%0.476SS..Hα-helixtrans-64.4-43.9175.600000112A67 R69 K74 I75A67-A71 WeakPolarHBondContact O-CB 3.49Å; A67-A71 PolarHBondContact O-N 3.38Å; R69-A71 VanDerWaalsContact C-N 3.29Å; R69-A71 PolarHBondContact O-N 2.99Å; A71-K74 PolarHBondContact O-N 2.81Å; A71-I75 VanDerWaalsContact O-CG1 3.31Å; A71-I75 WeakPolarHBondContact O-CG1 3.41Å; A71-I75 PolarHBondContact O-N 2.87Å
72K94.5Very high90.9Very high134 Ų13497 Ų9758%0.58348%0.481SS*.Hα-helixtrans-62.5-44.2177.4-174.8176.9-179.21770112.4V68 R69 K74 I75 Q76V68-K72 WeakPolarHBondContact O-CB 3.36Å; V68-K72 PolarHBondContact O-N 3.24Å; R69-K72 PolarHBondContact O-N 3.17Å; R69-K72 VanDerWaalsContact O-N 3.12Å; K72-K74 VanDerWaalsContact C-N 3.34Å; K72-K74 PolarHBondContact O-N 2.94Å; K72-I75 PolarHBondContact O-N 3.36Å; K72-Q76 WeakPolarHBondContact O-CG 3.22Å; K72-Q76 PolarHBondContact O-N 3.41Å; K72-Q76 VanDerWaalsContact O-N 3.08Å
73E90.8Very high91Very high97 Ų9796.1 Ų96.145%0.45348%0.475SS..Hα-helixtrans-60-44.5175.8-72171.9-15500111.2R69 I75 Q76 E77R69-E73 WeakPolarHBondContact O-CG 3.38Å; R69-E73 PolarHBondContact O-N 2.78Å; E73-I75 PolarHBondContact O-N 2.89Å; E73-Q76 PolarHBondContact O-N 3.29Å; E73-E77 PolarHBondContact O-N 3.12Å
74K92.4Very high90.8Very high111 Ų11195.7 Ų95.748%0.48348%0.475SS..Hα-helixtrans-71-25.3178-69.2-67.9169.6-162.20114.2Q70 A71 K72 E77 N78Q70-K74 WeakPolarHBondContact O-CG 3.49Å; Q70-K74 PolarHBondContact O-N 3.19Å; Q70-K74 VanDerWaalsContact O-N 3.1Å; A71-K74 PolarHBondContact O-N 2.81Å; K72-K74 VanDerWaalsContact C-N 3.34Å; K72-K74 PolarHBondContact O-N 2.94Å; K74-E77 WeakPolarHBondContact CD-OE2 3.45Å; K74-E77 WeakPolarHBondContact CE-OE2 3.33Å; K74-E77 IonicContact NZ-OE1 3.31Å; K74-E77 PolarHBondContact NZ-OE1 2.98Å; K74-E77 VanDerWaalsContact NZ-OE1 3.08Å; K74-E77 IonicContact NZ-OE2 3.39Å; K74-E77 PolarHBondContact NZ-OE2 2.94Å; K74-N78 WeakPolarHBondContact O-CB 3.37Å; K74-N78 PolarHBondContact O-N 2.76Å
75I93.1Very high91Very high100 Ų10093.5 Ų93.551%0.51347%0.469SS..Hα-helixtrans-66.4-48.6168.3-71.6163000110A71 K72 E73 E77 N78 E79A71-I75 VanDerWaalsContact O-CG1 3.31Å; A71-I75 WeakPolarHBondContact O-CG1 3.41Å; A71-I75 PolarHBondContact O-N 2.87Å; K72-I75 PolarHBondContact O-N 3.36Å; E73-I75 PolarHBondContact O-N 2.89Å; I75-E77 PolarHBondContact O-N 2.97Å; I75-N78 WeakPolarHBondContact O-CB 3.24Å; I75-N78 PolarHBondContact O-N 3.32Å; I75-N78 VanDerWaalsContact O-N 3.12Å; I75-E79 WeakPolarHBondContact O-CG 3.44Å; I75-E79 PolarHBondContact O-N 2.94Å
76Q91.2Very high91.1Very high97 Ų9795.7 Ų95.745%0.45347%0.473SS..Hα-helixtrans-63.1-40.4-179.9-68.6179-44.600112.6K72 E73 N78 E79 I80K72-Q76 WeakPolarHBondContact O-CG 3.22Å; K72-Q76 PolarHBondContact O-N 3.41Å; K72-Q76 VanDerWaalsContact O-N 3.08Å; E73-Q76 PolarHBondContact O-N 3.29Å; Q76-N78 VanDerWaalsContact C-N 3.32Å; Q76-N78 PolarHBondContact O-N 3.31Å; Q76-E79 PolarHBondContact O-N 2.76Å; Q76-I80 WeakPolarHBondContact O-CG1 3.34Å; Q76-I80 PolarHBondContact O-N 3.28Å; Q76-I80 VanDerWaalsContact O-N 3.07Å
77E92.6Very high91.3Very high87 Ų8794 Ų9441%0.40748%0.476SS..Hα-helixtrans-60-41.6172.5-174.5178.8142.100111.8E73 K74 I75 I80 L81E73-E77 PolarHBondContact O-N 3.12Å; K74-E77 WeakPolarHBondContact CD-OE2 3.45Å; K74-E77 WeakPolarHBondContact CE-OE2 3.33Å; K74-E77 IonicContact NZ-OE1 3.31Å; K74-E77 PolarHBondContact NZ-OE1 2.98Å; K74-E77 VanDerWaalsContact NZ-OE1 3.08Å; K74-E77 IonicContact NZ-OE2 3.39Å; K74-E77 PolarHBondContact NZ-OE2 2.94Å; I75-E77 PolarHBondContact O-N 2.97Å; E77-I80 PolarHBondContact O-N 2.92Å; E77-L81 HydrophobicContact CG-CD1 4.11Å; E77-L81 WeakPolarHBondContact O-CB 3.49Å; E77-L81 VanDerWaalsContact O-CG 3.28Å; E77-L81 WeakPolarHBondContact O-CG 3.45Å; E77-L81 PolarHBondContact O-N 3.08Å
78N89.1Confident91.4Very high85 Ų8595.5 Ų95.546%0.45548%0.476SS..Hα-helixtrans-68.5-39.4178.2-158.5-43.7000111.9K74 I75 Q76 I80 L81 Q82K74-N78 WeakPolarHBondContact O-CB 3.37Å; K74-N78 PolarHBondContact O-N 2.76Å; I75-N78 WeakPolarHBondContact O-CB 3.24Å; I75-N78 PolarHBondContact O-N 3.32Å; I75-N78 VanDerWaalsContact O-N 3.12Å; Q76-N78 VanDerWaalsContact C-N 3.32Å; Q76-N78 PolarHBondContact O-N 3.31Å; N78-I80 PolarHBondContact O-N 3.48Å; N78-L81 PolarHBondContact O-N 3.1Å; N78-Q82 WeakPolarHBondContact O-CB 3.48Å; N78-Q82 VanDerWaalsContact O-CG 3.27Å; N78-Q82 WeakPolarHBondContact O-CG 3.31Å; N78-Q82 PolarHBondContact O-N 3.43Å; N78-Q82 PolarHBondContact OD1-NE2 3.37Å
79E92Very high91.5Very high120 Ų12098.2 Ų98.256%0.56148%0.481SS*.Hα-helixtrans-59.4-44.6172.8-71.8176.5163.100112I75 Q76 Q82 S83I75-E79 WeakPolarHBondContact O-CG 3.44Å; I75-E79 PolarHBondContact O-N 2.94Å; Q76-E79 PolarHBondContact O-N 2.76Å; E79-Q82 PolarHBondContact O-N 3.45Å; E79-S83 PolarHBondContact O-N 2.95Å
80I92.3Very high91.3Very high111 Ų11196.9 Ų96.957%0.56948%0.484SS*.Hα-helixtrans-62.4-51.9176.4-67.4165.1000110.2Q76 E77 N78 Q82 S83 E84Q76-I80 WeakPolarHBondContact O-CG1 3.34Å; Q76-I80 PolarHBondContact O-N 3.28Å; Q76-I80 VanDerWaalsContact O-N 3.07Å; E77-I80 PolarHBondContact O-N 2.92Å; N78-I80 PolarHBondContact O-N 3.48Å; I80-Q82 VanDerWaalsContact C-N 3.33Å; I80-Q82 PolarHBondContact O-N 3.48Å; I80-S83 WeakPolarHBondContact O-CA 3.32Å; I80-S83 WeakPolarHBondContact O-CB 3.41Å; I80-S83 PolarHBondContact O-N 2.91Å; I80-S83 PolarHBondContact O-OG 3.19Å; I80-E84 PolarHBondContact O-N 2.95Å
81L93.8Very high91Very high84 Ų8498.5 Ų98.544%0.4449%0.494SS..Hα-helixtrans-61.6-38.3179.7-70.6169.4000112.5E77 N78 S83 E84 V85E77-L81 HydrophobicContact CG-CD1 4.11Å; E77-L81 WeakPolarHBondContact O-CB 3.49Å; E77-L81 VanDerWaalsContact O-CG 3.28Å; E77-L81 WeakPolarHBondContact O-CG 3.45Å; E77-L81 PolarHBondContact O-N 3.08Å; N78-L81 PolarHBondContact O-N 3.1Å; L81-S83 VanDerWaalsContact C-N 3.31Å; L81-S83 PolarHBondContact O-N 3.1Å; L81-E84 PolarHBondContact O-N 3.23Å; L81-V85 WeakPolarHBondContact O-CB 3.49Å; L81-V85 VanDerWaalsContact O-CG2 3.29Å; L81-V85 WeakPolarHBondContact O-CG2 3.3Å; L81-V85 PolarHBondContact O-N 2.92Å
82Q93.4Very high90.7Very high104 Ų104100.3 Ų100.349%0.48650%0.5SS..Hα-helixtrans-63.7-35.9172.5-77.1-177.545.500112.4N78 E79 I80 R86N78-Q82 WeakPolarHBondContact O-CB 3.48Å; N78-Q82 VanDerWaalsContact O-CG 3.27Å; N78-Q82 WeakPolarHBondContact O-CG 3.31Å; N78-Q82 PolarHBondContact O-N 3.43Å; N78-Q82 PolarHBondContact OD1-NE2 3.37Å; E79-Q82 PolarHBondContact O-N 3.45Å; I80-Q82 VanDerWaalsContact C-N 3.33Å; I80-Q82 PolarHBondContact O-N 3.48Å; Q82-R86 VanDerWaalsContact O-CB 3.27Å; Q82-R86 WeakPolarHBondContact O-CB 3.42Å; Q82-R86 PolarHBondContact O-N 3.47Å
83S90.7Very high90Very high60 Ų6097 Ų9742%0.4250%0.497SS..Hα-helixtrans-68.6-40.8176.183.10000112E79 I80 L81 R86 A87E79-S83 PolarHBondContact O-N 2.95Å; I80-S83 WeakPolarHBondContact O-CA 3.32Å; I80-S83 WeakPolarHBondContact O-CB 3.41Å; I80-S83 PolarHBondContact O-N 2.91Å; I80-S83 PolarHBondContact O-OG 3.19Å; L81-S83 VanDerWaalsContact C-N 3.31Å; L81-S83 PolarHBondContact O-N 3.1Å; S83-R86 WeakPolarHBondContact O-CB 3.46Å; S83-R86 PolarHBondContact O-N 3.34Å; S83-A87 PolarHBondContact O-N 3.47Å
84E86.9Confident89.4Confident105 Ų10597.2 Ų97.249%0.49150%0.498SS..Hα-helixtrans-66.8-48.8176.6-172.5-176.5178.100111.3I80 L81 R86 A87 L88I80-E84 PolarHBondContact O-N 2.95Å; L81-E84 PolarHBondContact O-N 3.23Å; E84-R86 PolarHBondContact O-N 3.3Å; E84-A87 PolarHBondContact O-N 2.99Å; E84-L88 HydrophobicContact CG-CD1 4.01Å; E84-L88 HydrophobicContact CG-CG 4.33Å; E84-L88 WeakPolarHBondContact O-CG 3.47Å; E84-L88 PolarHBondContact O-N 3.22Å
85V93.3Very high88.1Confident71 Ų7195.5 Ų95.543%0.4349%0.493SS..Hα-helixtrans-58.8-33.3175.81690000111.4L81 K89L81-V85 WeakPolarHBondContact O-CB 3.49Å; L81-V85 VanDerWaalsContact O-CG2 3.29Å; L81-V85 WeakPolarHBondContact O-CG2 3.3Å; L81-V85 PolarHBondContact O-N 2.92Å; V85-K89 HydrophobicContact CG1-CD 4.19Å; V85-K89 WeakPolarHBondContact O-CB 3.48Å; V85-K89 WeakPolarHBondContact O-CD 3.35Å; V85-K89 WeakPolarHBondContact O-CG 3.46Å; V85-K89 PolarHBondContact O-N 3.43Å; V85-K89 VanDerWaalsContact O-N 3.12Å
86R92.3Very high86.8Confident153 Ų15395.1 Ų95.158%0.57750%0.5SS*.Hα-helixtrans-68.9-44.2173.7-168.7-175.5-59134.74.4111.7Q82 S83 E84 K89 L90Q82-R86 VanDerWaalsContact O-CB 3.27Å; Q82-R86 WeakPolarHBondContact O-CB 3.42Å; Q82-R86 PolarHBondContact O-N 3.47Å; S83-R86 WeakPolarHBondContact O-CB 3.46Å; S83-R86 PolarHBondContact O-N 3.34Å; E84-R86 PolarHBondContact O-N 3.3Å; R86-K89 PolarHBondContact O-N 3.38Å; R86-L90 WeakPolarHBondContact O-CG 3.48Å; R86-L90 PolarHBondContact O-N 3.32Å
87A91.8Very high85.5Confident49 Ų4992.8 Ų92.841%0.40549%0.494SS..Hα-helixtrans-64.8-44.217700000112.5S83 E84 K89 L90 L91S83-A87 PolarHBondContact O-N 3.47Å; E84-A87 PolarHBondContact O-N 2.99Å; A87-K89 VanDerWaalsContact C-N 3.35Å; A87-K89 PolarHBondContact O-N 2.98Å; A87-L90 WeakPolarHBondContact O-CB 3.47Å; A87-L90 PolarHBondContact O-N 2.9Å; A87-L91 PolarHBondContact O-N 3.5Å
88L89.6Confident83.7Confident88 Ų8893.6 Ų93.646%0.46151%0.509SS..Hα-helixtrans-62.4-39.8176.5-69.3173.3000112E84 L90 L91 V92E84-L88 HydrophobicContact CG-CD1 4.01Å; E84-L88 HydrophobicContact CG-CG 4.33Å; E84-L88 WeakPolarHBondContact O-CG 3.47Å; E84-L88 PolarHBondContact O-N 3.22Å; L88-L90 VanDerWaalsContact C-N 3.33Å; L88-L90 PolarHBondContact O-N 3.06Å; L88-L91 PolarHBondContact O-N 3.25Å; L88-V92 WeakPolarHBondContact O-CG2 3.3Å; L88-V92 PolarHBondContact O-N 3.44Å
89K90.7Very high82.1Confident147 Ų14797 Ų9764%0.63953%0.526SS*.Hα-helixtrans-61.1-38.7173.9-78.7171.3-179.7178.30112.7V85 R86 A87 A93V85-K89 HydrophobicContact CG1-CD 4.19Å; V85-K89 WeakPolarHBondContact O-CB 3.48Å; V85-K89 WeakPolarHBondContact O-CD 3.35Å; V85-K89 WeakPolarHBondContact O-CG 3.46Å; V85-K89 PolarHBondContact O-N 3.43Å; V85-K89 VanDerWaalsContact O-N 3.12Å; R86-K89 PolarHBondContact O-N 3.38Å; A87-K89 VanDerWaalsContact C-N 3.35Å; A87-K89 PolarHBondContact O-N 2.98Å; K89-A93 PolarHBondContact O-N 3.05Å; K89-A93 VanDerWaalsContact O-N 3.11Å
90L86.7Confident80.2Confident120 Ų12093 Ų9363%0.62851%0.51SS*.Hα-helixtrans-66.1-46.4175.2-68.5169.8000111.5R86 A87 L88 V92 A93 E94R86-L90 WeakPolarHBondContact O-CG 3.48Å; R86-L90 PolarHBondContact O-N 3.32Å; A87-L90 WeakPolarHBondContact O-CB 3.47Å; A87-L90 PolarHBondContact O-N 2.9Å; L88-L90 VanDerWaalsContact C-N 3.33Å; L88-L90 PolarHBondContact O-N 3.06Å; L90-V92 PolarHBondContact O-N 2.97Å; L90-A93 WeakPolarHBondContact O-CB 3.45Å; L90-A93 PolarHBondContact O-N 3.27Å; L90-E94 PolarHBondContact O-N 3.38Å
91L82.3Confident78.4Confident93 Ų9390.7 Ų90.749%0.48750%0.499SS..Hα-helixtrans-62.3-38.9177.6-71170.3000112.6A87 L88 E94 L95A87-L91 PolarHBondContact O-N 3.5Å; L88-L91 PolarHBondContact O-N 3.25Å; L91-E94 PolarHBondContact O-N 3.36Å; L91-L95 WeakPolarHBondContact O-CB 3.31Å; L91-L95 VanDerWaalsContact O-CG 3.26Å; L91-L95 WeakPolarHBondContact O-CG 3.34Å; L91-L95 PolarHBondContact O-N 3.28Å
92V84.1Confident76.6Confident91 Ų9194.1 Ų94.155%0.55251%0.513SS*.Hα-helixtrans-67-36.6175.3170.80000111.7L88 L90 S96L88-V92 WeakPolarHBondContact O-CG2 3.3Å; L88-V92 PolarHBondContact O-N 3.44Å; L90-V92 PolarHBondContact O-N 2.97Å; V92-S96 WeakPolarHBondContact O-CB 3.42Å; V92-S96 PolarHBondContact O-N 3.33Å; V92-S96 PolarHBondContact O-OG 3.41Å
93A81.9Confident74.9Confident63 Ų6397.3 Ų97.352%0.52153%0.525SS..Hα-helixtrans-67.2-41.6173.900000112K89 L90 S96 S97K89-A93 PolarHBondContact O-N 3.05Å; K89-A93 VanDerWaalsContact O-N 3.11Å; L90-A93 WeakPolarHBondContact O-CB 3.45Å; L90-A93 PolarHBondContact O-N 3.27Å; A93-S96 WeakPolarHBondContact O-CB 3.11Å; A93-S96 PolarHBondContact O-N 3.09Å; A93-S97 PolarHBondContact O-N 2.77Å
94E76.6Confident73.3Confident102 Ų10296.7 Ų96.748%0.47752%0.516SS..Hα-helixtrans-64.7-43.1175.4-171.4173.9-166.500111.8L90 L91 S96 S97 T100L90-E94 PolarHBondContact O-N 3.38Å; L91-E94 PolarHBondContact O-N 3.36Å; E94-S96 VanDerWaalsContact C-N 3.27Å; E94-S96 PolarHBondContact O-N 3.24Å; E94-S97 WeakPolarHBondContact O-CB 3.37Å; E94-S97 PolarHBondContact O-N 2.67Å; E94-S97 PolarHBondContact O-OG 3.21Å; E94-T100 HydrophobicContact CG-CG2 4.36Å
95L66Low71.8Confident75 Ų7598.8 Ų98.839%0.39352%0.524SS..Hα-helixtrans-67.5-23.8173.8-71.1167.6000113.2L91 S97 N101 I104L91-L95 WeakPolarHBondContact O-CB 3.31Å; L91-L95 VanDerWaalsContact O-CG 3.26Å; L91-L95 WeakPolarHBondContact O-CG 3.34Å; L91-L95 PolarHBondContact O-N 3.28Å; L95-S97 PolarHBondContact O-N 2.78Å; L95-N101 PolarHBondContact O-ND2 3.18Å; L95-N101 PolarHBondContact O-OD1 3.18Å; L95-I104 HydrophobicContact CD2-CD1 3.82Å; L95-I104 HydrophobicContact CD2-CG2 4.26Å
96S66.2Low69.9Low93 Ų93101.4 Ų101.465%0.6554%0.535SS*.Hα-helixtrans-72-16.4170.9-60.10000112.5V92 A93 E94 S98V92-S96 WeakPolarHBondContact O-CB 3.42Å; V92-S96 PolarHBondContact O-N 3.33Å; V92-S96 PolarHBondContact O-OG 3.41Å; A93-S96 WeakPolarHBondContact O-CB 3.11Å; A93-S96 PolarHBondContact O-N 3.09Å; E94-S96 VanDerWaalsContact C-N 3.27Å; E94-S96 PolarHBondContact O-N 3.24Å; S96-S98 PolarHBondContact O-N 2.85Å; S96-S98 VanDerWaalsContact O-N 3.17Å
97S62.5Low68.2Low48 Ų4897.3 Ų97.334%0.33653%0.53SS..SBendtrans-75.6102.6170.576.60000110.6A93 E94 L95 I99 T100 N101A93-S97 PolarHBondContact O-N 2.77Å; E94-S97 WeakPolarHBondContact O-CB 3.37Å; E94-S97 PolarHBondContact O-N 2.67Å; E94-S97 PolarHBondContact O-OG 3.21Å; L95-S97 PolarHBondContact O-N 2.78Å; S97-I99 PolarHBondContact O-N 3.44Å; S97-T100 PolarHBondContact O-N 2.94Å; S97-T100 WeakPolarHBondContact OG-CB 3.41Å; S97-T100 PolarHBondContact OG-OG1 3.45Å; S97-N101 PolarHBondContact O-ND2 3.03Å
98S54.7Low66.3Low103 Ų10399.9 Ų99.972%0.7254%0.537SS*.THydrogen-bonded Turntrans-49.6-35.5-171-170.90000114.4S96 T100S96-S98 PolarHBondContact O-N 2.85Å; S96-S98 VanDerWaalsContact O-N 3.17Å; S98-T100 VanDerWaalsContact C-N 3.32Å; S98-T100 PolarHBondContact O-N 3.33Å
99I57Low64.4Low156 Ų156102.4 Ų102.480%0.855%0.546SS*.THydrogen-bonded Turntrans-66.6-28.3-178-61.6172.6000112.8S97S97-I99 PolarHBondContact O-N 3.44Å
100T52.1Low62.2Low38 Ų3898.7 Ų98.723%0.23354%0.538CS..THydrogen-bonded Turntrans-88.1-27.4-169-45.60000112.5E94 S97 S98 Q102 K103 I104E94-T100 HydrophobicContact CG-CG2 4.36Å; S97-T100 PolarHBondContact O-N 2.94Å; S97-T100 WeakPolarHBondContact OG-CB 3.41Å; S97-T100 PolarHBondContact OG-OG1 3.45Å; S98-T100 VanDerWaalsContact C-N 3.32Å; S98-T100 PolarHBondContact O-N 3.33Å; T100-Q102 VanDerWaalsContact C-N 3.31Å; T100-Q102 PolarHBondContact O-N 3.11Å; T100-K103 PolarHBondContact O-N 3.43Å; T100-K103 VanDerWaalsContact O-N 3.17Å; T100-I104 HydrophobicContact CG2-CD1 3.69Å; T100-I104 HydrophobicContact CG2-CG1 4.18Å; T100-I104 PolarHBondContact O-N 2.89Å; T100-I104 VanDerWaalsContact O-N 3.17Å
101N53.4Low60.4Low61 Ų6194.9 Ų94.933%0.32652%0.52SS..Hα-helixtrans-53.6-38.6-176.4-78.6-62.9000114.9L95 S97 K105L95-N101 PolarHBondContact O-ND2 3.18Å; L95-N101 PolarHBondContact O-OD1 3.18Å; S97-N101 PolarHBondContact O-ND2 3.03Å; N101-K105 WeakPolarHBondContact O-CB 3.42Å; N101-K105 PolarHBondContact O-N 3.4Å
102Q56Low58.6Low157 Ų15799.1 Ų99.173%0.73453%0.53SS*.Hα-helixtrans-71.6-37.7-178-70.2-179.1-15.600112.6T100 N106T100-Q102 VanDerWaalsContact C-N 3.31Å; T100-Q102 PolarHBondContact O-N 3.11Å; Q102-N106 PolarHBondContact O-N 3.03Å
103K57.6Low56.6Low171 Ų171101.7 Ų101.774%0.74354%0.538SS*.Hα-helixtrans-66.5-42.3174.2-73-177.4176.9177.40111T100 S107T100-K103 PolarHBondContact O-N 3.43Å; T100-K103 VanDerWaalsContact O-N 3.17Å; K103-S107 WeakPolarHBondContact O-CB 3.34Å; K103-S107 PolarHBondContact O-N 3.38Å
104I57Low54.9Low47 Ų47104.7 Ų104.724%0.24154%0.539CS..Hα-helixtrans-66-45179.6-66.7172.5000111.5L95 T100 N106 S107 L108L95-I104 HydrophobicContact CD2-CD1 3.82Å; L95-I104 HydrophobicContact CD2-CG2 4.26Å; T100-I104 HydrophobicContact CG2-CD1 3.69Å; T100-I104 HydrophobicContact CG2-CG1 4.18Å; T100-I104 PolarHBondContact O-N 2.89Å; T100-I104 VanDerWaalsContact O-N 3.17Å; I104-N106 VanDerWaalsContact C-N 3.3Å; I104-N106 PolarHBondContact O-N 3.41Å; I104-S107 PolarHBondContact O-N 3.23Å; I104-L108 HydrophobicContact CG2-CD1 3.61Å; I104-L108 HydrophobicContact CG2-CG 4.05Å; I104-L108 WeakPolarHBondContact O-CB 3.49Å; I104-L108 WeakPolarHBondContact O-CG 3.5Å; I104-L108 PolarHBondContact O-N 2.95Å
105K55.8Low53.1Low149 Ų149107 Ų10765%0.64854%0.544SS*.Hα-helixtrans-57.2-40.4179.2-111.4-179.3178.3177.30113.6N101 H109N101-K105 WeakPolarHBondContact O-CB 3.42Å; N101-K105 PolarHBondContact O-N 3.4Å; K105-H109 PolarHBondContact O-N 2.92Å; K105-H109 PolarHBondContact O-ND1 3.26Å
106N53.6Low51.8Low125 Ų125109 Ų10967%0.66856%0.555SS**Hα-helixtrans-77.6-35.7-179.4-66.3-3.9000111.7Q102 I104Q102-N106 PolarHBondContact O-N 3.03Å; I104-N106 VanDerWaalsContact C-N 3.3Å; I104-N106 PolarHBondContact O-N 3.41Å
107S55.7Low50.6Low68 Ų68110.9 Ų110.948%0.47656%0.558SS.*Hα-helixtrans-60.4-50.3171.2-176.90000111.5K103 I104 H109 S110 T111K103-S107 WeakPolarHBondContact O-CB 3.34Å; K103-S107 PolarHBondContact O-N 3.38Å; I104-S107 PolarHBondContact O-N 3.23Å; S107-H109 VanDerWaalsContact C-N 3.35Å; S107-H109 PolarHBondContact O-N 2.6Å; S107-S110 PolarHBondContact O-N 3.1Å; S107-T111 PolarHBondContact O-N 3.04Å; S107-T111 PolarHBondContact O-OG1 2.95Å
108L52.9Low49.4Very low103 Ų103113.4 Ų113.454%0.53957%0.567SS.*Hα-helixtrans-61.2-35.6-176.3-74.9173.4000113.9I104 T111 R112I104-L108 HydrophobicContact CG2-CD1 3.61Å; I104-L108 HydrophobicContact CG2-CG 4.05Å; I104-L108 WeakPolarHBondContact O-CB 3.49Å; I104-L108 WeakPolarHBondContact O-CG 3.5Å; I104-L108 PolarHBondContact O-N 2.95Å; L108-T111 WeakPolarHBondContact CA-OG1 3.44Å; L108-T111 PolarHBondContact O-OG1 3.11Å; L108-R112 WeakPolarHBondContact O-CB 3.35Å; L108-R112 PolarHBondContact O-N 3.09Å
109H49.3Very low48.5Very low140 Ų140112.5 Ų112.565%0.64857%0.566SS**Hα-helixtrans-68.1-34.9175.1-80.681.4000112.6K105 S107K105-H109 PolarHBondContact O-N 2.92Å; K105-H109 PolarHBondContact O-ND1 3.26Å; S107-H109 VanDerWaalsContact C-N 3.35Å; S107-H109 PolarHBondContact O-N 2.6Å
110S44.9Very low47.4Very low69 Ų69108.9 Ų108.948%0.48355%0.553SS.*Hα-helixtrans-76.2-28.6178.7-169.10000112.9S107 K114S107-S110 PolarHBondContact O-N 3.1Å; S110-K114 WeakPolarHBondContact O-CD 3.45Å
111T49.8Very low46.3Very low41 Ų41109.6 Ų109.625%0.25256%0.556SS.*Hα-helixtrans-89-35.9178.546.20000114S107 L108 M113 K114 Y115S107-T111 PolarHBondContact O-N 3.04Å; S107-T111 PolarHBondContact O-OG1 2.95Å; L108-T111 WeakPolarHBondContact CA-OG1 3.44Å; L108-T111 PolarHBondContact O-OG1 3.11Å; T111-M113 PolarHBondContact O-N 3.37Å; T111-K114 WeakPolarHBondContact O-CA 3.46Å; T111-K114 PolarHBondContact O-N 2.96Å; T111-Y115 HydrophobicContact CG2-CE2 3.99Å; T111-Y115 VanDerWaalsContact O-CD2 3.3Å; T111-Y115 WeakPolarHBondContact O-CD2 3.47Å; T111-Y115 PolarHBondContact O-N 3.45Å
112R43Very low45.4Very low181 Ų181116.6 Ų116.668%0.68358%0.583SS**Hα-helixtrans-54-50.9179.3-169.5171.7-170.8164.63.8112L108 K114 Y115 D116L108-R112 WeakPolarHBondContact O-CB 3.35Å; L108-R112 PolarHBondContact O-N 3.09Å; R112-K114 PolarHBondContact O-N 3.39Å; R112-Y115 PolarHBondContact O-N 3.24Å; R112-D116 VanDerWaalsContact O-CG 3.27Å; R112-D116 PolarHBondContact O-N 2.95Å
113M43.2Very low44Very low146 Ų146114.4 Ų114.472%0.71959%0.585SS**Hα-helixtrans-62.1-14.2176.7-65.6-64.9175.700114.8T111 N117T111-M113 PolarHBondContact O-N 3.37Å; M113-N117 PolarHBondContact O-ND2 2.78Å
114K45.7Very low43.1Very low126 Ų126111.7 Ų111.755%0.54859%0.585SS.*Hα-helixtrans-101-35.8179.1-68.7178.2-179.2170.70112.6S110 T111 R112 N117 I118S110-K114 WeakPolarHBondContact O-CD 3.45Å; T111-K114 WeakPolarHBondContact O-CA 3.46Å; T111-K114 PolarHBondContact O-N 2.96Å; R112-K114 PolarHBondContact O-N 3.39Å; K114-N117 PolarHBondContact O-N 3.26Å; K114-I118 WeakPolarHBondContact O-CB 3.22Å; K114-I118 WeakPolarHBondContact O-CD1 3.32Å; K114-I118 VanDerWaalsContact O-CG1 3.25Å; K114-I118 WeakPolarHBondContact O-CG1 3.14Å; K114-I118 PolarHBondContact O-N 2.85Å
115Y38.8Very low41.8Very low150 Ų150118.7 Ų118.759%0.58862%0.617SS**Hα-helixtrans-73.1-34.6179.2-73.7-60.6000113T111 R112 N117 I118 A119T111-Y115 HydrophobicContact CG2-CE2 3.99Å; T111-Y115 VanDerWaalsContact O-CD2 3.3Å; T111-Y115 WeakPolarHBondContact O-CD2 3.47Å; T111-Y115 PolarHBondContact O-N 3.45Å; R112-Y115 PolarHBondContact O-N 3.24Å; Y115-N117 PolarHBondContact O-N 3.42Å; Y115-I118 PolarHBondContact O-N 3.31Å; Y115-A119 WeakPolarHBondContact O-CB 3.26Å; Y115-A119 PolarHBondContact O-N 3.07Å
116D37.9Very low40.8Very low117 Ų117118.2 Ų118.263%0.62662%0.62SS**THydrogen-bonded Turntrans-57.2-22.9175.9-63.6-16.5000113.1R112R112-D116 VanDerWaalsContact O-CG 3.27Å; R112-D116 PolarHBondContact O-N 2.95Å
117N41.5Very low39.6Very low133 Ų133122.6 Ų122.671%0.71163%0.629SS**THydrogen-bonded Turntrans-104-5.5177.9-72.3-76.4000114.4M113 K114 Y115M113-N117 PolarHBondContact O-ND2 2.78Å; K114-N117 PolarHBondContact O-N 3.26Å; Y115-N117 PolarHBondContact O-N 3.42Å
118I38.2Very low38.5Very low100 Ų100129.7 Ų129.751%0.51365%0.645SS.*THydrogen-bonded Turntrans-118.1-27.3-171.4-67.3175.1000112.4K114 Y115 C120 N121K114-I118 WeakPolarHBondContact O-CB 3.22Å; K114-I118 WeakPolarHBondContact O-CD1 3.32Å; K114-I118 VanDerWaalsContact O-CG1 3.25Å; K114-I118 WeakPolarHBondContact O-CG1 3.14Å; K114-I118 PolarHBondContact O-N 2.85Å; Y115-I118 PolarHBondContact O-N 3.31Å; I118-C120 PolarHBondContact O-N 2.98Å; I118-N121 PolarHBondContact O-N 3.34Å
119A35.9Very low37.4Very low85 Ų85134.4 Ų134.470%0.70266%0.661SS**THydrogen-bonded Turntrans-61-18.9-174.800000115.6Y115 N121Y115-A119 WeakPolarHBondContact O-CB 3.26Å; Y115-A119 PolarHBondContact O-N 3.07Å; A119-N121 PolarHBondContact O-N 2.85Å
120C32.4Very low36.5Very low80 Ų80135.7 Ų135.754%0.54167%0.672SS.*THydrogen-bonded Turntrans-87.411.9178.6-65.10000115.3I118I118-C120 PolarHBondContact O-N 2.98Å
121N29.1Very low35.9Very low53 Ų53133.9 Ų133.928%0.28366%0.661SS.*SBendtrans-142.8116.2-169.2-71.3-83000114.1I118 A119 K144I118-N121 PolarHBondContact O-N 3.34Å; A119-N121 PolarHBondContact O-N 2.85Å; N121-K144 WeakPolarHBondContact OD1-CD 3.46Å; N121-K144 WeakPolarHBondContact OD1-CE 3.33Å; N121-K144 PolarHBondContact OD1-NZ 2.87Å
122K34.3Very low35.1Very low208 Ų208138.6 Ų138.690%0.90469%0.69SS**  trans86.4137-171.5-53.2155.7-172.3177.30111.2
123S28.5Very low34.5Very low111 Ų111133.8 Ų133.878%0.77668%0.684SS**  cis-174.2167-4.1-165.20000107.6
124P37.8Very low34Very low113 Ų113134 Ų13473%0.73469%0.688SS**  cis-119.4164.2-14.228.8-9.6000114.1
125E30.4Very low33.5Very low194 Ų194132.9 Ų132.991%0.90769%0.687SS**  trans-89.5129.5171.3-59.7178.6118.800112.4
126I33.4Very low33.3Very low139 Ų139134.8 Ų134.871%0.71370%0.699SS**  trans-143142.7146.2-38.2177.9000108.8
127Y29.5Very low32.8Very low218 Ų218138.1 Ų138.186%0.85571%0.711SS**SBendtrans65.571.5171.9-58.4-65.6000119.8
128R31.4Very low32.5Very low217 Ų217137 Ų13782%0.81971%0.708SS**  trans-153.348.9142.2-142.8172.7-71-175.8-3.7115.4
129K29.5Very low32Very low201 Ų201141.3 Ų141.387%0.87472%0.723SS**  trans-79.9144.2171.1-127.8172.9-173.6173.80110.2
130L30.5Very low31.8Very low168 Ų168147.6 Ų147.688%0.8873%0.729SS**SBendtrans74.8100.2179.2-50.4170.4000116.3
131A32.8Very low31.7Very low30 Ų30150.7 Ų150.725%0.24874%0.74CS.*SBendtrans176.6-38.8137.800000113.7K444 Y445A131-K444 WeakPolarHBondContact O-CD 3.3Å; A131-K444 PolarHBondContact O-NZ 3.03Å; A131-K444 VanDerWaalsContact O-NZ 3.15Å; A131-Y445 HydrophobicContact CB-CE1 4.38Å
132T34.4Very low31.6Very low141 Ų141156.2 Ų156.287%0.86577%0.77SS**  trans-111.133.5-159.347.10000116.3
133S29.8Very low31.7Very low79 Ų79151.1 Ų151.155%0.55277%0.766SS**  trans-91.8156.1165.558.40000112.7K444S133-K444 PolarHBondContact O-NZ 3.24Å
134N32.2Very low31.8Very low150 Ų150153.5 Ų153.580%0.80276%0.763SS**SBendtrans80.146.8170.2-50.917.6000117.1
135L34.9Very low31.4Very low104 Ų104154.3 Ų154.355%0.54577%0.77SS.*SBendtrans-142143.2143.6-151.771.9000108.3F388L135-F388 HydrophobicContact CD1-CE2 4.07Å; L135-F388 HydrophobicContact CD1-CZ 3.73Å; L135-F388 HydrophobicContact CD2-CE2 4.08Å; L135-F388 HydrophobicContact CD2-CZ 4.24Å
136F34.3Very low31.6Very low190 Ų190147.1 Ų147.183%0.83375%0.748SS**  trans64.772.2-166.4-56.4-76000115.5V138F136-V138 PolarHBondContact O-N 2.92Å
137E28.8Very low31.5Very low187 Ų187144.5 Ų144.587%0.87476%0.755SS**  trans-70118.5147.3-82.1-163.1111.200109.6
138V33.9Very low31.9Very low108 Ų108142.4 Ų142.466%0.65576%0.758SS**  trans-133112.3155.3178.40000107.7F136 R140F136-V138 PolarHBondContact O-N 2.92Å; V138-R140 PolarHBondContact O-N 3.1Å
139K28.3Very low32.3Very low191 Ų191139.7 Ų139.783%0.8376%0.755SS**  trans-59.4109.5174.8-73.4174.1175.4171.40110.4
140R31.5Very low33Very low218 Ų218137.5 Ų137.582%0.82375%0.747SS**  trans-16089.2160.1-105.1156.7-148148.45.3112.2V138V138-R140 PolarHBondContact O-N 3.1Å
141N29.8Very low33.9Very low145 Ų145135.2 Ų135.278%0.77573%0.73SS**  trans12.6119.3144.8-48-4.4000118.3
142N28.5Very low35Very low168 Ų168137 Ų13790%0.89874%0.736SS**  trans54.771.2139.4-57.3-3.5000119.5
143A35.3Very low36.1Very low101 Ų101131.9 Ų131.984%0.83570%0.701SS**  trans-149.7149.8147.600000110.8
144K30.6Very low37.4Very low161 Ų161132 Ų13270%0.769%0.689SS**  trans-98.9130.5-178.5-67.3149.883.4-168.20109.3N121N121-K144 WeakPolarHBondContact OD1-CD 3.46Å; N121-K144 WeakPolarHBondContact OD1-CE 3.33Å; N121-K144 PolarHBondContact OD1-NZ 2.87Å
145C30.5Very low38.8Very low130 Ų130129.2 Ų129.288%0.87867%0.674SS**  trans-111.6137.2175.5-1670000109.3
146G33.7Very low39.9Very low44 Ų44126.6 Ų126.645%0.45466%0.661SS.*PPolyproline II helixtrans-74.9161.3-177.100000113.6
147G31.2Very low41Very low84 Ų84119 Ų11987%0.86663%0.629SS**PPolyproline II helixtrans-71144.2176.600000112.7
148L38Very low42.4Very low173 Ų173113.7 Ų113.791%0.90661%0.609SS**PPolyproline II helixtrans-82.1138.6171.1-71.4168.5000110.7
149E39.4Very low43.4Very low161 Ų161110.8 Ų110.875%0.75260%0.596SS**PPolyproline II helixtrans-65.8142.5175.6-164.2160.8-138.400111.2F151E149-F151 VanDerWaalsContact O-CD2 3.31Å; E149-F151 WeakPolarHBondContact O-CD2 3.29Å; E149-F151 PolarHBondContact O-N 3.44Å
150Q45.7Very low44.8Very low154 Ų154105 Ų10572%0.7258%0.577SS**  trans-88.179-168.4-171167.2-50.700111.9N152Q150-N152 PolarHBondContact O-N 3.23Å
151F47.8Very low45.9Very low120 Ų12098.8 Ų98.853%0.52656%0.559SS.*  trans-51.3131.5173.8-64.6-82.2000112.5E149E149-F151 VanDerWaalsContact O-CD2 3.31Å; E149-F151 WeakPolarHBondContact O-CD2 3.29Å; E149-F151 PolarHBondContact O-N 3.44Å
152N56.2Low46.9Very low67 Ų6796.7 Ų96.736%0.35855%0.551SS.*  trans-65.5143.8172.7-169.9-35.7000110Q150 R154 D155 L156Q150-N152 PolarHBondContact O-N 3.23Å; N152-R154 PolarHBondContact O-N 3.18Å; N152-R154 PolarHBondContact OD1-N 2.99Å; N152-D155 HydrophobicContact CB-CB 4.27Å; N152-D155 VanDerWaalsContact CB-OD2 3.28Å; N152-D155 WeakPolarHBondContact CB-OD2 3.48Å; N152-D155 PolarHBondContact O-N 3.27Å; N152-D155 VanDerWaalsContact O-N 3.16Å; N152-L156 PolarHBondContact O-N 3.28Å
153R57.3Low47.7Very low34 Ų3495.8 Ų95.813%0.12854%0.541CS..Hα-helixtrans-54.2-42.7174.1-172.2-159.8174.681.56.5111.3L156 L157 N535 Y543 G544 A545R153-L156 PolarHBondContact O-N 3.36Å; R153-L157 HydrophobicContact CG-CD1 4.04Å; R153-L157 WeakPolarHBondContact O-CB 3.46Å; R153-L157 WeakPolarHBondContact O-CG 3.33Å; R153-L157 PolarHBondContact O-N 3.46Å; R153-N535 PolarHBondContact NH2-OD1 3.3Å; R153-Y543 PolarHBondContact NH1-O 3.5Å; R153-G544 PolarHBondContact NH1-O 2.6Å; R153-A545 PolarHBondContact NH1-O 2.96Å
154R58.5Low48Very low81 Ų81101.4 Ų101.431%0.30654%0.541SS..Hα-helixtrans-64.3-40.4179.5-72.5-162.1-178.593.64.7111.7Y66 N152 T158 E549Y66-R154 PolarHBondContact OH-NH1 3.18Å; Y66-R154 PolarHBondContact OH-NH2 3.41Å; N152-R154 PolarHBondContact O-N 3.18Å; N152-R154 PolarHBondContact OD1-N 2.99Å; R154-T158 WeakPolarHBondContact O-CB 3.44Å; R154-T158 PolarHBondContact O-N 2.98Å; R154-T158 PolarHBondContact O-OG1 2.91Å; R154-E549 IonicContact CZ-OE1 3.06Å; R154-E549 IonicContact CZ-OE2 3.37Å; R154-E549 IonicContact NE-OE2 3.67Å; R154-E549 PolarHBondContact NE-OE2 2.93Å; R154-E549 VanDerWaalsContact NE-OE2 3.15Å; R154-E549 IonicContact NH2-OE1 2.64Å; R154-E549 PolarHBondContact NH2-OE1 3.09Å; R154-E549 IonicContact NH2-OE2 3.59Å; R154-E549 PolarHBondContact NH2-OE2 3.16Å
155D59.7Low48.6Very low92 Ų9297.1 Ų97.149%0.49253%0.53SS..Hα-helixtrans-71.1-38.8-179.9-58.8-28000111.6N152 T158 A159N152-D155 HydrophobicContact CB-CB 4.27Å; N152-D155 VanDerWaalsContact CB-OD2 3.28Å; N152-D155 WeakPolarHBondContact CB-OD2 3.48Å; N152-D155 PolarHBondContact O-N 3.27Å; N152-D155 VanDerWaalsContact O-N 3.16Å; D155-T158 PolarHBondContact O-N 3.4Å; D155-A159 WeakPolarHBondContact O-CB 3.39Å; D155-A159 PolarHBondContact O-N 3.08Å
156L59.7Low48.7Very low50 Ų5094.8 Ų94.826%0.26251%0.514SS..Hα-helixtrans-67.2-43.6175.3-177.957000112N152 R153 V160 L538 Y543N152-L156 PolarHBondContact O-N 3.28Å; R153-L156 PolarHBondContact O-N 3.36Å; L156-V160 HydrophobicContact CD1-CG2 4.42Å; L156-V160 VanDerWaalsContact O-CG2 3.31Å; L156-V160 WeakPolarHBondContact O-CG2 3.46Å; L156-V160 PolarHBondContact O-N 2.99Å; L156-V160 VanDerWaalsContact O-N 3.12Å; L156-L538 HydrophobicContact CD2-CD2 3.52Å; L156-L538 HydrophobicContact CG-CD2 4.14Å; L156-Y543 HydrophobicContact CD2-CD2 4.36Å; L156-Y543 HydrophobicContact CD2-CE1 4.17Å; L156-Y543 HydrophobicContact CD2-CE2 3.9Å
157L56.8Low49.1Very low31 Ų31102.7 Ų102.716%0.16254%0.536CS..Hα-helixtrans-60.4-46170.9-82.1169.7000111.1R153 V160 I161 L534 L538R153-L157 HydrophobicContact CG-CD1 4.04Å; R153-L157 WeakPolarHBondContact O-CB 3.46Å; R153-L157 WeakPolarHBondContact O-CG 3.33Å; R153-L157 PolarHBondContact O-N 3.46Å; L157-V160 PolarHBondContact O-N 2.72Å; L157-I161 HydrophobicContact CB-CD1 4.43Å; L157-I161 HydrophobicContact CD2-CD1 4.33Å; L157-I161 VanDerWaalsContact O-CB 3.3Å; L157-I161 WeakPolarHBondContact O-CB 3.19Å; L157-I161 WeakPolarHBondContact O-CD1 3.35Å; L157-I161 WeakPolarHBondContact O-CG1 3.48Å; L157-I161 PolarHBondContact O-N 2.75Å; L157-L534 HydrophobicContact CD2-CD2 3.83Å; L157-L534 HydrophobicContact CD2-CG 4.25Å; L157-L538 HydrophobicContact CD1-CD1 4.41Å; L157-L538 HydrophobicContact CD2-CD1 3.49Å; L157-L538 VanDerWaalsContact CD2-CD1 3.49Å; L157-L538 HydrophobicContact CG-CD1 3.73Å
158T59.1Low49.6Very low75 Ų75105.4 Ų105.446%0.4653%0.53SS..Hα-helixtrans-62.7-47-179.7-61.40000110.6R154 D155 V160 I161 T162R154-T158 WeakPolarHBondContact O-CB 3.44Å; R154-T158 PolarHBondContact O-N 2.98Å; R154-T158 PolarHBondContact O-OG1 2.91Å; D155-T158 PolarHBondContact O-N 3.4Å; T158-V160 PolarHBondContact O-N 2.95Å; T158-I161 PolarHBondContact O-N 3.36Å; T158-T162 HydrophobicContact CG2-CG2 3.64Å; T158-T162 WeakPolarHBondContact O-CA 3.43Å; T158-T162 VanDerWaalsContact O-CB 3.22Å; T158-T162 WeakPolarHBondContact O-CB 3.46Å; T158-T162 VanDerWaalsContact O-CG2 3.26Å; T158-T162 WeakPolarHBondContact O-CG2 3.42Å; T158-T162 PolarHBondContact O-N 2.81Å; T158-T162 PolarHBondContact O-OG1 3.06Å
159A53.4Low50.3Low46 Ų46102.6 Ų102.638%0.3852%0.516SS..Hα-helixtrans-57.3-48.1175.700000112.1D155 I161 H163D155-A159 WeakPolarHBondContact O-CB 3.39Å; D155-A159 PolarHBondContact O-N 3.08Å; A159-I161 VanDerWaalsContact C-N 3.32Å; A159-I161 PolarHBondContact O-N 3.33Å; A159-H163 PolarHBondContact O-CD2 3.32Å; A159-H163 VanDerWaalsContact O-CD2 3.23Å; A159-H163 PolarHBondContact O-N 3.17Å
160V57.3Low51.1Low71 Ų7197.2 Ų97.243%0.4349%0.492SS..Hα-helixtrans-67.9-28.7-179.5176.90000112.8L156 L157 T158 L534L156-V160 HydrophobicContact CD1-CG2 4.42Å; L156-V160 VanDerWaalsContact O-CG2 3.31Å; L156-V160 WeakPolarHBondContact O-CG2 3.46Å; L156-V160 PolarHBondContact O-N 2.99Å; L156-V160 VanDerWaalsContact O-N 3.12Å; L157-V160 PolarHBondContact O-N 2.72Å; T158-V160 PolarHBondContact O-N 2.95Å; V160-L534 HydrophobicContact CB-CD2 4.1Å; V160-L534 HydrophobicContact CG1-CD1 4.13Å; V160-L534 HydrophobicContact CG1-CD2 3.56Å
161I56.5Low52.3Low86 Ų8693.1 Ų93.144%0.44148%0.476SS..Hα-helixtrans-91.2-33.6-179.8-65.5167.4000112.4L157 T158 A159L157-I161 HydrophobicContact CB-CD1 4.43Å; L157-I161 HydrophobicContact CD2-CD1 4.33Å; L157-I161 VanDerWaalsContact O-CB 3.3Å; L157-I161 WeakPolarHBondContact O-CB 3.19Å; L157-I161 WeakPolarHBondContact O-CD1 3.35Å; L157-I161 WeakPolarHBondContact O-CG1 3.48Å; L157-I161 PolarHBondContact O-N 2.75Å; T158-I161 PolarHBondContact O-N 3.36Å; A159-I161 VanDerWaalsContact C-N 3.32Å; A159-I161 PolarHBondContact O-N 3.33Å
162T50.4Low53.7Low101 Ų10192.2 Ų92.262%0.6248%0.475SS*.Hα-helixtrans-83.3-13.6178.758.80000113.5T158 R164T158-T162 HydrophobicContact CG2-CG2 3.64Å; T158-T162 WeakPolarHBondContact O-CA 3.43Å; T158-T162 VanDerWaalsContact O-CB 3.22Å; T158-T162 WeakPolarHBondContact O-CB 3.46Å; T158-T162 VanDerWaalsContact O-CG2 3.26Å; T158-T162 WeakPolarHBondContact O-CG2 3.42Å; T158-T162 PolarHBondContact O-N 2.81Å; T158-T162 PolarHBondContact O-OG1 3.06Å; T162-R164 PolarHBondContact O-N 2.79Å
163H45.2Very low54.9Low149 Ų14993.8 Ų93.869%0.6948%0.484SS*.SBendtrans-58.580.4147.3-88.8-64.8000109.1A159 P165A159-H163 PolarHBondContact O-CD2 3.32Å; A159-H163 VanDerWaalsContact O-CD2 3.23Å; A159-H163 PolarHBondContact O-N 3.17Å; H163-P165 WeakPolarHBondContact O-CD 3.2Å
164R41.2Very low56.2Low220 Ų22092.2 Ų92.283%0.8348%0.478SS*.  trans-44.4113.8166.5171.8-170.4-76.9-172-3.5105.9T162 C166T162-R164 PolarHBondContact O-N 2.79Å; R164-C166 PolarHBondContact O-N 3.39Å; R164-C166 VanDerWaalsContact O-N 3.08Å
165P42.3Very low57.6Low71 Ų7190 Ų9046%0.46147%0.47SS..  trans-56.4125.6-179.5-26.435.1000108H163 K167H163-P165 WeakPolarHBondContact O-CD 3.2Å; P165-K167 PolarHBondContact O-N 3.07Å
166C33.3Very low58.9Low81 Ų8191.6 Ų91.655%0.54748%0.475SS..  trans-50.5137.3160.8-58.30000106.2R164 N168 N169R164-C166 PolarHBondContact O-N 3.39Å; R164-C166 VanDerWaalsContact O-N 3.08Å; C166-N168 PolarHBondContact O-N 3.4Å; C166-N169 HydrophobicContact CB-CB 4.49Å; C166-N169 PolarHBondContact O-N 3.35Å
167K42.6Very low60.3Low209 Ų20990.5 Ų90.591%0.90947%0.468SS*.THydrogen-bonded Turntrans-58.4-7.6-171.6-70.7-174.9172.1-173.60114.2P165P165-K167 PolarHBondContact O-N 3.07Å
168N42.1Very low61.9Low141 Ų14189 Ų8975%0.75446%0.46SS*.THydrogen-bonded Turntrans-108.12-174.7-4619.1000112.3C166C166-N168 PolarHBondContact O-N 3.4Å
169N51.8Low63.4Low114 Ų11487.3 Ų87.361%0.6145%0.449SS*.  trans-107.127.5-173.9-6724.4000112.9C166C166-N169 HydrophobicContact CB-CB 4.49Å; C166-N169 PolarHBondContact O-N 3.35Å
170L56.1Low65.1Low48 Ų4888.3 Ų88.325%0.25145%0.445SS..SBendtrans-78.5136.9157.8-14570.4000107.1I172 F175 F526L170-I172 PolarHBondContact O-N 3.09Å; L170-F175 HydrophobicContact CD2-CB 3.84Å; L170-F175 HydrophobicContact CD2-CD1 3.97Å; L170-F175 HydrophobicContact CD2-CD2 3.86Å; L170-F175 HydrophobicContact CD2-CE1 4.49Å; L170-F175 HydrophobicContact CD2-CE2 4.41Å; L170-F175 HydrophobicContact CD2-CG 3.61Å; L170-F175 HydrophobicContact CG-CB 4.47Å; L170-F526 HydrophobicContact CD1-CD1 3.86Å; L170-F526 HydrophobicContact CD1-CE1 3.72Å; L170-F526 HydrophobicContact CD2-CD1 4.1Å; L170-F526 HydrophobicContact CD2-CE1 4.05Å; L170-F526 HydrophobicContact CG-CD1 4.12Å; L170-F526 HydrophobicContact CG-CE1 3.7Å
171D70.1Confident66.6Low69 Ų6985 Ų8537%0.36943%0.425SS..  trans-69.3100167.7176.9-5.5000107.2T174 F175 R376D171-T174 VanDerWaalsContact CG-CB 3.47Å; D171-T174 PolarHBondContact O-N 2.92Å; D171-T174 PolarHBondContact OD1-N 3.39Å; D171-T174 PolarHBondContact OD1-OG1 3.35Å; D171-T174 VanDerWaalsContact OD2-CB 3.28Å; D171-T174 WeakPolarHBondContact OD2-CB 3.3Å; D171-T174 PolarHBondContact OD2-OG1 3.12Å; D171-F175 PolarHBondContact O-N 3.44Å; D171-R376 IonicContact OD2-NH1 3.2Å
172I77.7Confident68.2Low101 Ų10182.9 Ų82.952%0.51841%0.414SS..Hα-helixtrans-61.1-49.9-170.7-60.5175.6000109.3L170 T174 F175 E176L170-I172 PolarHBondContact O-N 3.09Å; I172-T174 VanDerWaalsContact C-N 3.31Å; I172-T174 PolarHBondContact O-N 3.26Å; I172-F175 CarbonylContact O-C 3.54Å; I172-F175 WeakPolarHBondContact O-CA 3.44Å; I172-F175 PolarHBondContact O-N 3.07Å; I172-E176 HydrophobicContact CG2-CG 4.3Å; I172-E176 PolarHBondContact O-N 2.73Å
173D81Confident69.8Low100 Ų10085.5 Ų85.554%0.53542%0.419SS..Hα-helixtrans-52.4-47.8176.2-51.911.8000111.4F175 E176 E177D173-F175 VanDerWaalsContact C-N 3.32Å; D173-F175 PolarHBondContact O-N 3.18Å; D173-E176 PolarHBondContact O-N 2.97Å; D173-E177 WeakPolarHBondContact O-CB 3.48Å; D173-E177 WeakPolarHBondContact O-CG 3.42Å; D173-E177 PolarHBondContact O-N 3.01Å
174T86Confident71.8Confident1 Ų183.2 Ų83.21%0.00641%0.412CS..Hα-helixtrans-70.5-26.3178.8-610000112.6D171 I172 F178 F373 R376 F526D171-T174 VanDerWaalsContact CG-CB 3.47Å; D171-T174 PolarHBondContact O-N 2.92Å; D171-T174 PolarHBondContact OD1-N 3.39Å; D171-T174 PolarHBondContact OD1-OG1 3.35Å; D171-T174 VanDerWaalsContact OD2-CB 3.28Å; D171-T174 WeakPolarHBondContact OD2-CB 3.3Å; D171-T174 PolarHBondContact OD2-OG1 3.12Å; I172-T174 VanDerWaalsContact C-N 3.31Å; I172-T174 PolarHBondContact O-N 3.26Å; T174-F178 WeakPolarHBondContact O-CB 3.26Å; T174-F178 PolarHBondContact O-N 2.97Å; T174-F373 HydrophobicContact CG2-CD2 4.43Å; T174-F373 HydrophobicContact CG2-CE2 4.16Å; T174-R376 WeakPolarHBondContact OG1-CD 3.43Å; T174-R376 PolarHBondContact OG1-NE 2.9Å; T174-R376 PolarHBondContact OG1-NH1 2.8Å; T174-F526 HydrophobicContact CG2-CE2 3.98Å; T174-F526 HydrophobicContact CG2-CZ 3.93Å; T174-F526 WeakPolarHBondContact O-CE2 3.22Å
175F87.4Confident73.9Confident34 Ų3479.4 Ų79.415%0.14941%0.408CS..Hα-helixtrans-77.8-39.6173.8-175.5-117000112.1L170 D171 I172 D173 F178 L179 E523 F526L170-F175 HydrophobicContact CD2-CB 3.84Å; L170-F175 HydrophobicContact CD2-CD1 3.97Å; L170-F175 HydrophobicContact CD2-CD2 3.86Å; L170-F175 HydrophobicContact CD2-CE1 4.49Å; L170-F175 HydrophobicContact CD2-CE2 4.41Å; L170-F175 HydrophobicContact CD2-CG 3.61Å; L170-F175 HydrophobicContact CG-CB 4.47Å; D171-F175 PolarHBondContact O-N 3.44Å; I172-F175 CarbonylContact O-C 3.54Å; I172-F175 WeakPolarHBondContact O-CA 3.44Å; I172-F175 PolarHBondContact O-N 3.07Å; D173-F175 VanDerWaalsContact C-N 3.32Å; D173-F175 PolarHBondContact O-N 3.18Å; F175-F178 AromaticContact CD2-CD1 3.89Å; F175-F178 HydrophobicContact CD2-CD1 3.89Å; F175-F178 AromaticContact CE2-CD1 3.86Å; F175-F178 HydrophobicContact CE2-CD1 3.86Å; F175-F178 HydrophobicContact CE2-CE1 4.17Å; F175-F178 WeakPolarHBondContact O-CB 3.36Å; F175-F178 PolarHBondContact O-N 3.32Å; F175-F178 VanDerWaalsContact O-N 3.12Å; F175-L179 HydrophobicContact CD1-CD1 4.2Å; F175-L179 HydrophobicContact CE1-CD1 3.78Å; F175-L179 HydrophobicContact CE1-CG 4.27Å; F175-L179 HydrophobicContact CE2-CD2 4.39Å; F175-L179 HydrophobicContact CZ-CD1 4.13Å; F175-L179 HydrophobicContact CZ-CD2 4.13Å; F175-L179 HydrophobicContact CZ-CG 4.24Å; F175-L179 WeakPolarHBondContact O-CG 3.46Å; F175-L179 PolarHBondContact O-N 2.61Å; F175-E523 HydrophobicContact CZ-CG 4.35Å; F175-F526 HydrophobicContact CB-CE1 4.24Å; F175-F526 HydrophobicContact CB-CE2 4.17Å; F175-F526 HydrophobicContact CB-CZ 3.91Å; F175-F526 HydrophobicContact CD2-CB 3.89Å; F175-F526 AromaticContact CD2-CD1 3.86Å; F175-F526 HydrophobicContact CD2-CD1 3.86Å; F175-F526 AromaticContact CD2-CD2 3.75Å; F175-F526 HydrophobicContact CD2-CD2 3.75Å; F175-F526 HydrophobicContact CD2-CE1 4.23Å; F175-F526 HydrophobicContact CD2-CE2 4.11Å; F175-F526 AromaticContact CD2-CG 3.57Å; F175-F526 HydrophobicContact CD2-CG 3.57Å; F175-F526 HydrophobicContact CD2-CZ 4.31Å; F175-F526 HydrophobicContact CE2-CB 3.9Å; F175-F526 HydrophobicContact CE2-CG 4.11Å
176E86.4Confident76Confident125 Ų12576.5 Ų76.558%0.58439%0.39SS*.Hα-helixtrans-63.2-42.2172.5-71.1-176.6-17500111.1I172 D173 F178 L179 E180I172-E176 HydrophobicContact CG2-CG 4.3Å; I172-E176 PolarHBondContact O-N 2.73Å; D173-E176 PolarHBondContact O-N 2.97Å; E176-F178 VanDerWaalsContact C-N 3.27Å; E176-F178 PolarHBondContact O-N 3.19Å; E176-L179 PolarHBondContact O-N 3.46Å; E176-E180 WeakPolarHBondContact O-CB 3.36Å; E176-E180 PolarHBondContact O-N 2.81Å
177E89.7Confident78.5Confident27 Ų2773.9 Ų73.913%0.12637%0.371CS..Hα-helixtrans-59.8-35170.7-76.7-175.8-173.200112.8D173 W181 K372 F373 R376D173-E177 WeakPolarHBondContact O-CB 3.48Å; D173-E177 WeakPolarHBondContact O-CG 3.42Å; D173-E177 PolarHBondContact O-N 3.01Å; E177-W181 VanDerWaalsContact O-CB 3.31Å; E177-W181 WeakPolarHBondContact O-CB 3.24Å; E177-W181 PolarHBondContact O-N 3.36Å; E177-K372 HydrophobicContact CG-CB 3.81Å; E177-K372 HydrophobicContact CG-CD 4.25Å; E177-F373 HydrophobicContact CB-CB 4.09Å; E177-F373 HydrophobicContact CB-CD2 4.34Å; E177-F373 WeakPolarHBondContact O-CB 3.47Å; E177-R376 VanDerWaalsContact CD-NE 3.31Å; E177-R376 IonicContact OE1-CZ 3.26Å; E177-R376 IonicContact OE1-NE 3.37Å; E177-R376 PolarHBondContact OE1-NE 2.85Å; E177-R376 IonicContact OE1-NH2 2.66Å; E177-R376 PolarHBondContact OE1-NH2 3.07Å; E177-R376 WeakPolarHBondContact OE2-CD 3.47Å; E177-R376 IonicContact OE2-CZ 3.8Å; E177-R376 IonicContact OE2-NE 3.98Å; E177-R376 PolarHBondContact OE2-NE 2.84Å; E177-R376 IonicContact OE2-NH2 2.63Å
178F91.2Very high80.6Confident0 Ų064.5 Ų64.50%033%0.331CS..Hα-helixtrans-70-39.2175.8165.9-106000112.4T174 F175 E176 W181 I182 F373 I486 Q522 Q525 F526 I529T174-F178 WeakPolarHBondContact O-CB 3.26Å; T174-F178 PolarHBondContact O-N 2.97Å; F175-F178 AromaticContact CD2-CD1 3.89Å; F175-F178 HydrophobicContact CD2-CD1 3.89Å; F175-F178 AromaticContact CE2-CD1 3.86Å; F175-F178 HydrophobicContact CE2-CD1 3.86Å; F175-F178 HydrophobicContact CE2-CE1 4.17Å; F175-F178 WeakPolarHBondContact O-CB 3.36Å; F175-F178 PolarHBondContact O-N 3.32Å; F175-F178 VanDerWaalsContact O-N 3.12Å; E176-F178 VanDerWaalsContact C-N 3.27Å; E176-F178 PolarHBondContact O-N 3.19Å; F178-W181 AromaticContact CD2-CE3 3.89Å; F178-W181 HydrophobicContact CD2-CE3 3.89Å; F178-W181 HydrophobicContact CD2-CZ3 4.31Å; F178-W181 HydrophobicContact CE2-CE3 4.01Å; F178-W181 AromaticContact CE2-CZ3 4Å; F178-W181 HydrophobicContact CE2-CZ3 4Å; F178-W181 WeakPolarHBondContact O-CB 3.3Å; F178-W181 PolarHBondContact O-N 2.8Å; F178-I182 HydrophobicContact CD1-CD1 4.43Å; F178-I182 HydrophobicContact CE1-CD1 3.73Å; F178-I182 HydrophobicContact CE2-CD1 3.85Å; F178-I182 HydrophobicContact CE2-CG1 4.25Å; F178-I182 HydrophobicContact CZ-CD1 3.41Å; F178-I182 VanDerWaalsContact CZ-CD1 3.41Å; F178-I182 HydrophobicContact CZ-CG1 4.3Å; F178-I182 PolarHBondContact O-N 2.79Å; F178-F373 HydrophobicContact CB-CD2 3.92Å; F178-F373 HydrophobicContact CB-CE1 4.48Å; F178-F373 HydrophobicContact CB-CE2 3.69Å; F178-F373 HydrophobicContact CB-CG 4.42Å; F178-F373 HydrophobicContact CB-CZ 3.98Å; F178-F373 HydrophobicContact CD2-CD1 4.46Å; F178-F373 AromaticContact CD2-CE1 3.78Å; F178-F373 HydrophobicContact CD2-CE1 3.78Å; F178-F373 HydrophobicContact CD2-CE2 4.29Å; F178-F373 AromaticContact CD2-CZ 3.68Å; F178-F373 HydrophobicContact CD2-CZ 3.68Å; F178-F373 HydrophobicContact CG-CE2 4.43Å; F178-F373 HydrophobicContact CG-CZ 4.24Å; F178-I486 HydrophobicContact CE2-CD1 4.47Å; F178-Q522 HydrophobicContact CE1-CB 4.36Å; F178-Q522 WeakPolarHBondContact CE1-O 3.42Å; F178-Q525 HydrophobicContact CZ-CB 3.9Å; F178-F526 HydrophobicContact CB-CD2 3.71Å; F178-F526 HydrophobicContact CB-CE2 3.87Å; F178-F526 HydrophobicContact CD1-CB 3.96Å; F178-F526 AromaticContact CD1-CD2 3.69Å; F178-F526 HydrophobicContact CD1-CD2 3.69Å; F178-F526 HydrophobicContact CD1-CG 4.24Å; F178-F526 HydrophobicContact CD2-CD2 4.23Å; F178-F526 HydrophobicContact CE1-CB 3.81Å; F178-F526 HydrophobicContact CE1-CD2 4.34Å; F178-F526 AromaticContact CG-CD2 3.61Å; F178-F526 HydrophobicContact CG-CD2 3.61Å; F178-F526 HydrophobicContact CG-CE2 4.29Å; F178-F526 HydrophobicContact CZ-CB 4.3Å; F178-I529 HydrophobicContact CD2-CD1 3.79Å; F178-I529 HydrophobicContact CE2-CD1 3.39Å; F178-I529 HydrophobicContact CZ-CD1 4.21Å
179L88.9Confident82.6Confident40 Ų4061.6 Ų61.621%0.20932%0.316CS..Hα-helixtrans-67.9-41.3173.9-64.8-179.6000111.3F175 E176 W181 I182 Q183 Q522F175-L179 HydrophobicContact CD1-CD1 4.2Å; F175-L179 HydrophobicContact CE1-CD1 3.78Å; F175-L179 HydrophobicContact CE1-CG 4.27Å; F175-L179 HydrophobicContact CE2-CD2 4.39Å; F175-L179 HydrophobicContact CZ-CD1 4.13Å; F175-L179 HydrophobicContact CZ-CD2 4.13Å; F175-L179 HydrophobicContact CZ-CG 4.24Å; F175-L179 WeakPolarHBondContact O-CG 3.46Å; F175-L179 PolarHBondContact O-N 2.61Å; E176-L179 PolarHBondContact O-N 3.46Å; L179-W181 VanDerWaalsContact C-N 3.29Å; L179-W181 PolarHBondContact O-N 3.13Å; L179-I182 PolarHBondContact O-N 3.15Å; L179-Q183 WeakPolarHBondContact O-CB 3.46Å; L179-Q183 VanDerWaalsContact O-CG 3.26Å; L179-Q183 WeakPolarHBondContact O-CG 3.46Å; L179-Q183 PolarHBondContact O-N 2.89Å; L179-Q522 HydrophobicContact CD2-CB 4.14Å; L179-Q522 HydrophobicContact CD2-CG 4.25Å
180E89Confident84Confident66 Ų6656.8 Ų56.831%0.30829%0.29SS..Hα-helixtrans-58.7-40.4170.3-179-178.8-149.700111.2E176 Q183 N184 K372E176-E180 WeakPolarHBondContact O-CB 3.36Å; E176-E180 PolarHBondContact O-N 2.81Å; E180-Q183 PolarHBondContact O-N 3.43Å; E180-N184 PolarHBondContact O-N 3.02Å; E180-N184 VanDerWaalsContact O-N 3.15Å; E180-N184 PolarHBondContact O-ND2 3.21Å; E180-K372 WeakPolarHBondContact OE1-CE 3.34Å; E180-K372 IonicContact OE1-NZ 2.85Å; E180-K372 PolarHBondContact OE1-NZ 2.77Å; E180-K372 WeakPolarHBondContact OE2-CD 3.35Å; E180-K372 WeakPolarHBondContact OE2-CE 3.46Å; E180-K372 IonicContact OE2-NZ 2.76Å; E180-K372 PolarHBondContact OE2-NZ 3.49Å
181W90.7Very high84.8Confident2 Ų255.4 Ų55.41%0.00828%0.284CS..Hα-helixtrans-64.7-40.3176.2175.473000113E177 F178 L179 C186 P187 L188 S371 F373 I374 L483 I486E177-W181 VanDerWaalsContact O-CB 3.31Å; E177-W181 WeakPolarHBondContact O-CB 3.24Å; E177-W181 PolarHBondContact O-N 3.36Å; F178-W181 AromaticContact CD2-CE3 3.89Å; F178-W181 HydrophobicContact CD2-CE3 3.89Å; F178-W181 HydrophobicContact CD2-CZ3 4.31Å; F178-W181 HydrophobicContact CE2-CE3 4.01Å; F178-W181 AromaticContact CE2-CZ3 4Å; F178-W181 HydrophobicContact CE2-CZ3 4Å; F178-W181 WeakPolarHBondContact O-CB 3.3Å; F178-W181 PolarHBondContact O-N 2.8Å; L179-W181 VanDerWaalsContact C-N 3.29Å; L179-W181 PolarHBondContact O-N 3.13Å; W181-C186 HydrophobicContact CD2-CB 4.41Å; W181-C186 HydrophobicContact CH2-CB 3.86Å; W181-C186 HydrophobicContact CZ2-CB 3.54Å; W181-C186 HydrophobicContact CZ3-CB 4.42Å; W181-C186 VanDerWaalsContact O-CA 3.29Å; W181-C186 WeakPolarHBondContact O-CA 3.28Å; W181-C186 PolarHBondContact O-N 3.35Å; W181-P187 PolarHBondContact NE1-O 2.93Å; W181-L188 HydrophobicContact CZ2-CD2 3.7Å; W181-L188 HydrophobicContact CZ2-CG 4.47Å; W181-S371 VanDerWaalsContact CD1-OG 3.28Å; W181-F373 HydrophobicContact CB-CB 3.85Å; W181-F373 HydrophobicContact CB-CD1 3.99Å; W181-F373 HydrophobicContact CB-CG 4.2Å; W181-F373 AromaticContact CD2-CD1 3.84Å; W181-F373 HydrophobicContact CD2-CD1 3.84Å; W181-F373 HydrophobicContact CD2-CE1 4.28Å; W181-F373 HydrophobicContact CE3-CD1 4.11Å; W181-F373 HydrophobicContact CE3-CE1 4.12Å; W181-F373 HydrophobicContact CG-CB 4.28Å; W181-F373 AromaticContact CG-CD1 3.78Å; W181-F373 HydrophobicContact CG-CD1 3.78Å; W181-F373 HydrophobicContact CG-CG 4.42Å; W181-I374 HydrophobicContact CZ2-CD1 4.49Å; W181-L483 HydrophobicContact CH2-CB 4.13Å; W181-L483 HydrophobicContact CH2-CD2 3.81Å; W181-L483 HydrophobicContact CZ2-CB 4.39Å; W181-L483 HydrophobicContact CZ2-CD2 4.35Å; W181-L483 HydrophobicContact CZ3-CD2 4.09Å; W181-I486 HydrophobicContact CH2-CB 4.36Å; W181-I486 HydrophobicContact CH2-CG2 4.21Å; W181-I486 HydrophobicContact CZ3-CB 4.44Å; W181-I486 HydrophobicContact CZ3-CG2 3.91Å
182I88.3Confident84.3Confident42 Ų4256.8 Ų56.822%0.21530%0.295CS..Hα-helixtrans-63.4-46.7173.2-73.9178.5000110.9F178 L179 N184 D185 Q522F178-I182 HydrophobicContact CD1-CD1 4.43Å; F178-I182 HydrophobicContact CE1-CD1 3.73Å; F178-I182 HydrophobicContact CE2-CD1 3.85Å; F178-I182 HydrophobicContact CE2-CG1 4.25Å; F178-I182 HydrophobicContact CZ-CD1 3.41Å; F178-I182 VanDerWaalsContact CZ-CD1 3.41Å; F178-I182 HydrophobicContact CZ-CG1 4.3Å; F178-I182 PolarHBondContact O-N 2.79Å; L179-I182 PolarHBondContact O-N 3.15Å; I182-N184 PolarHBondContact O-N 2.89Å; I182-D185 PolarHBondContact O-N 2.89Å; I182-Q522 HydrophobicContact CD1-CG 4.28Å
183Q85.8Confident83.1Confident155 Ų15558 Ų5872%0.72430%0.301SS*.Hα-helixtrans-64.9-21.9-177.7-71.9170.110.100114.1L179 E180L179-Q183 WeakPolarHBondContact O-CB 3.46Å; L179-Q183 VanDerWaalsContact O-CG 3.26Å; L179-Q183 WeakPolarHBondContact O-CG 3.46Å; L179-Q183 PolarHBondContact O-N 2.89Å; E180-Q183 PolarHBondContact O-N 3.43Å
184N86.4Confident81.1Confident101 Ų10155.3 Ų55.354%0.5429%0.293SS..THydrogen-bonded Turntrans-101.734.3-179.1-73.3-79.9000113.5E180 I182 C186 P187E180-N184 PolarHBondContact O-N 3.02Å; E180-N184 VanDerWaalsContact O-N 3.15Å; E180-N184 PolarHBondContact O-ND2 3.21Å; I182-N184 PolarHBondContact O-N 2.89Å; N184-C186 VanDerWaalsContact C-N 3.34Å; N184-C186 PolarHBondContact O-N 2.88Å; N184-P187 VanDerWaalsContact O-CD 3.32Å; N184-P187 WeakPolarHBondContact O-CD 3.32Å
185D84.5Confident79.1Confident140 Ų14061.3 Ų61.375%0.74932%0.319SS*.THydrogen-bonded Turntrans62.928.8-180-62.6-42.1000115.6I182 K487I182-D185 PolarHBondContact O-N 2.89Å; D185-K487 PolarHBondContact O-NZ 2.96Å
186C86.3Confident76.9Confident10 Ų1065.6 Ų65.67%0.06835%0.349CS..  trans49.158.8173.7-65.50000113.8W181 N184 L188 K487W181-C186 HydrophobicContact CD2-CB 4.41Å; W181-C186 HydrophobicContact CH2-CB 3.86Å; W181-C186 HydrophobicContact CZ2-CB 3.54Å; W181-C186 HydrophobicContact CZ3-CB 4.42Å; W181-C186 VanDerWaalsContact O-CA 3.29Å; W181-C186 WeakPolarHBondContact O-CA 3.28Å; W181-C186 PolarHBondContact O-N 3.35Å; N184-C186 VanDerWaalsContact C-N 3.34Å; N184-C186 PolarHBondContact O-N 2.88Å; C186-L188 PolarHBondContact O-N 3.44Å; C186-K487 HydrophobicContact CB-CB 3.79Å; C186-K487 HydrophobicContact CB-CD 4.35Å; C186-K487 HydrophobicContact CB-CG 3.84Å; C186-K487 WeakPolarHBondContact O-CD 3.42Å; C186-K487 PolarHBondContact O-NZ 2.98Å
187P87.1Confident74.5Confident26 Ų2666.8 Ų66.817%0.16935%0.354CS..  trans-67.4124.5-178.528-34.5000109.8W181 N184 I374W181-P187 PolarHBondContact NE1-O 2.93Å; N184-P187 VanDerWaalsContact O-CD 3.32Å; N184-P187 WeakPolarHBondContact O-CD 3.32Å; P187-I374 WeakPolarHBondContact O-CG1 3.49Å
188L86.8Confident71.8Confident13 Ų1370.8 Ų70.87%0.06838%0.376CS..  trans-99.74.5-176.6-69.9172.2000113.3W181 C186 L190 I374 P402 L483 K487W181-L188 HydrophobicContact CZ2-CD2 3.7Å; W181-L188 HydrophobicContact CZ2-CG 4.47Å; C186-L188 PolarHBondContact O-N 3.44Å; L188-L190 PolarHBondContact O-N 2.73Å; L188-I374 HydrophobicContact CD2-CD1 4.47Å; L188-P402 HydrophobicContact CB-CB 4.23Å; L188-P402 WeakPolarHBondContact O-CG 3.39Å; L188-L483 HydrophobicContact CD2-CB 3.63Å; L188-L483 HydrophobicContact CD2-CD1 4.4Å; L188-K487 HydrophobicContact CD1-CB 4.41Å; L188-K487 HydrophobicContact CD1-CD 3.78Å; L188-K487 HydrophobicContact CG-CD 4.17Å
189N83.1Confident68.9Low80 Ų8077.1 Ų77.143%0.42841%0.41SS..  trans-60.6124.8-177-59.2-8.6000109.8L370 I374N189-L370 WeakPolarHBondContact O-CD1 3.41Å; N189-I374 WeakPolarHBondContact O-CG2 3.07Å
190L81.2Confident66.3Low12 Ų1281 Ų816%0.06343%0.426CS..  trans-80.2152.7163.5-75.9178.4000109.5L188 T192 I374 Y378 I382 Y398 L401 F480L188-L190 PolarHBondContact O-N 2.73Å; L190-T192 PolarHBondContact O-N 3.12Å; L190-I374 HydrophobicContact CD2-CG2 4.04Å; L190-Y378 HydrophobicContact CD2-CD2 3.82Å; L190-Y378 HydrophobicContact CD2-CG 4.22Å; L190-I382 HydrophobicContact CD2-CD1 4.18Å; L190-Y398 HydrophobicContact CD1-CD1 4.11Å; L190-Y398 HydrophobicContact CD1-CG 4.24Å; L190-L401 HydrophobicContact CD1-CB 4.31Å; L190-L401 HydrophobicContact CD1-CD1 4.22Å; L190-F480 HydrophobicContact CD1-CE2 4.34Å; L190-F480 HydrophobicContact CD1-CZ 3.79Å; L190-F480 HydrophobicContact CD2-CZ 3.94Å; L190-F480 HydrophobicContact CG-CE1 4.43Å; L190-F480 HydrophobicContact CG-CZ 3.82Å
191P72.6Confident63.6Low20 Ų2087.3 Ų87.313%0.1346%0.456CS..  trans-59.7113.5173.319.8-27.8000110.4I193 L370 Y375 Y378P191-I193 PolarHBondContact O-N 2.72Å; P191-L370 HydrophobicContact CB-CD2 3.84Å; P191-L370 HydrophobicContact CG-CD2 4.15Å; P191-Y375 HydrophobicContact CG-CD2 4.35Å; P191-Y378 HydrophobicContact CG-CD1 3.57Å; P191-Y378 HydrophobicContact CG-CD2 4.25Å; P191-Y378 HydrophobicContact CG-CE1 3.62Å; P191-Y378 HydrophobicContact CG-CE2 4.27Å; P191-Y378 HydrophobicContact CG-CG 3.9Å
192T60Low60.8Low97 Ų9794.1 Ų94.160%0.59549%0.492SS*.SBendtrans-58.6-25.8171.8-40.40000111.3L190 A194 F195L190-T192 PolarHBondContact O-N 3.12Å; T192-A194 PolarHBondContact O-N 3.48Å; T192-F195 HydrophobicContact CG2-CE2 4.5Å; T192-F195 WeakPolarHBondContact O-CD2 3.41Å; T192-F195 WeakPolarHBondContact O-CE2 3.37Å
193I52.7Low58.1Low126 Ų12699.2 Ų99.265%0.64652%0.519SS*.  trans-86.188.1-179.3-55.2178.1000110.5P191 F195P191-I193 PolarHBondContact O-N 2.72Å; I193-F195 HydrophobicContact CG2-CB 4.31Å
194A39.7Very low55.4Low45 Ų4595.9 Ų95.937%0.37251%0.512SS..  trans-111.322.7141.300000111.1T192 R391T192-A194 PolarHBondContact O-N 3.48Å; A194-R391 PolarHBondContact O-NH1 2.88Å; A194-R391 VanDerWaalsContact O-NH1 3.15Å
195F44Very low52.7Low126 Ų126100 Ų10055%0.55353%0.527SS*.SBendtrans-62.7151.8164.3-69.9-128.6000108.9T192 I193 E197T192-F195 HydrophobicContact CG2-CE2 4.5Å; T192-F195 WeakPolarHBondContact O-CD2 3.41Å; T192-F195 WeakPolarHBondContact O-CE2 3.37Å; I193-F195 HydrophobicContact CG2-CB 4.31Å; F195-E197 VanDerWaalsContact C-N 3.26Å; F195-E197 PolarHBondContact O-N 3Å
196T40.5Very low50.1Low125 Ų125101.5 Ų101.577%0.76753%0.53SS*.SBendtrans45.120.2151.955.10000121.1
197E35.6Very low47.4Very low149 Ų149108.3 Ų108.370%0.69657%0.565SS**  trans-15387.4166.6-117.7-178.814200111.9F195F195-E197 VanDerWaalsContact C-N 3.26Å; F195-E197 PolarHBondContact O-N 3Å
198L32.8Very low44.6Very low111 Ų111114.6 Ų114.658%0.58160%0.598SS**SBendtrans-15529.3167.7-119.8176.5000113.4
199N31.7Very low42Very low133 Ų133119.5 Ų119.571%0.71163%0.629SS**SBendtrans-149-5.1172.4-120.416.1000114Q201 L202N199-Q201 VanDerWaalsContact C-N 3.33Å; N199-Q201 PolarHBondContact O-N 3.31Å; N199-L202 PolarHBondContact O-N 2.99Å
200E34.2Very low39.7Very low121 Ų121124.1 Ų124.157%0.56565%0.645SS**G310 helixtrans-82.6-2.9-169.8-120.5156.7153.800115.4L202E200-L202 PolarHBondContact O-N 3.16Å
201Q32Very low37.3Very low200 Ų200132.4 Ų132.494%0.93568%0.683SS**G310 helixtrans-88.116164.1-67.3-170.8-7.600113.3N199N199-Q201 VanDerWaalsContact C-N 3.33Å; N199-Q201 PolarHBondContact O-N 3.31Å
202L30.6Very low35.4Very low144 Ų144134.8 Ų134.875%0.75471%0.711SS**G310 helixtrans-116.812.8170.6-129.5161.6000112.5N199 E200N199-L202 PolarHBondContact O-N 2.99Å; E200-L202 PolarHBondContact O-N 3.16Å
203L32.7Very low34.2Very low150 Ų150139.3 Ų139.379%0.78573%0.726SS**SBendtrans-136.3-0.7-178.3-143.171.5000115.7
204C28Very low33.4Very low85 Ų85140 Ų14057%0.57473%0.726SS**SBendtrans-124.613.4-175.3-66.80000115.4
205H31.3Very low33.2Very low187 Ų187145.2 Ų145.287%0.86674%0.74SS**SBendtrans-137.638176.3-81.6-38.5000114.2
206Q30.2Very low32.6Very low172 Ų172146.2 Ų146.280%0.80475%0.747SS**SBendtrans-123.6162.6145.6-69.1-172-31.800107.6
207D29.1Very low32.2Very low152 Ų152147.3 Ų147.381%0.81374%0.743SS**  trans56.466.2176.5-54.5-20000116.3
208N28Very low32.1Very low159 Ų159145.9 Ų145.985%0.8574%0.744SS**  trans-129.750.6158.6-111.3-49.8000111.2
209T32.3Very low32Very low116 Ų116148.4 Ų148.471%0.71275%0.746SS**SBendtrans-140.999.2170.644.30000111.9
210K34.4Very low32.3Very low177 Ų177151.9 Ų151.977%0.7776%0.755SS**  trans69108.5150.5-56.5-174.9-178.3-1730115.6
211E31.3Very low32.3Very low186 Ų186152.9 Ų152.987%0.86976%0.76SS**  63.110488.3-68.4176.7127.600112.2
212G32.8Very low32.4Very low70 Ų70149.8 Ų149.872%0.72275%0.748SS**  trans157.3108.4175.400000112.2
213E34.1Very low32.6Very low191 Ų191149 Ų14989%0.89376%0.755SS**  trans11.4135.9136-60.4166.7-177.700116.8
214E35.8Very low32.8Very low141 Ų141149.4 Ų149.466%0.65975%0.753SS**  cis-177.5175.71.3-96.3-152.9139.500104.2
215K35.9Very low33.1Very low154 Ų154156.2 Ų156.267%0.6777%0.766SS**  trans16146.4141.2-58.6167.5-158.5145.70120.1
216E31.5Very low33.2Very low147 Ų147156.7 Ų156.769%0.68777%0.771SS**  cis175.9153.2-7-170.1-176.5141.300106.9
217H32.5Very low33.5Very low148 Ų148154 Ų15469%0.68577%0.767SS**  trans61.7131.5155.7-94.7108.7000123.1
218T32.2Very low33.8Very low119 Ų119155.9 Ų155.973%0.7377%0.768SS**  trans86.6153.4150.667.40000122.5
219R31.3Very low34Very low165 Ų165156.3 Ų156.362%0.62377%0.768SS**  trans75.5134.7174.2-61.3-173.7148.3115.2-0.2117.5E221R219-E221 HydrophobicContact CG-CB 4.42Å; R219-E221 IonicContact CZ-OE2 3.7Å; R219-E221 IonicContact NE-OE2 3.99Å; R219-E221 PolarHBondContact NE-OE2 2.8Å; R219-E221 IonicContact NH2-OE2 2.8Å; R219-E221 PolarHBondContact NH2-OE2 2.85Å
220K37.7Very low34.2Very low205 Ų205157.1 Ų157.189%0.89177%0.768SS**SBendcis51.3108.5-3-93.8-174.4174.4-179.60116.7
221E33.7Very low34.3Very low142 Ų142155.8 Ų155.866%0.66477%0.768SS**  trans92.8158.3-151.6-63.1-174.2129.800111.3R219R219-E221 HydrophobicContact CG-CB 4.42Å; R219-E221 IonicContact CZ-OE2 3.7Å; R219-E221 IonicContact NE-OE2 3.99Å; R219-E221 PolarHBondContact NE-OE2 2.8Å; R219-E221 IonicContact NH2-OE2 2.8Å; R219-E221 PolarHBondContact NH2-OE2 2.85Å
222I35.1Very low34.5Very low135 Ų135151.9 Ų151.969%0.69276%0.759SS**  trans68.138175.9-29.2175.7000116.1
223S35Very low34.7Very low127 Ų127153.7 Ų153.789%0.88876%0.76SS**SBendtrans-130.57151-166.10000113.7
224E36Very low34.9Very low159 Ų159152.7 Ų152.774%0.74376%0.756SS**SBendtrans-107.2148.7153.6-66.3-170.615200108
225R34Very low34.8Very low228 Ų228152.2 Ų152.286%0.8676%0.756SS**  trans64.584.6175.2-49.4174.9-173.5167.22.4116.3
226M34Very low34.7Very low197 Ų197151.4 Ų151.497%0.9776%0.758SS**  trans-144110.2132.4-93.6-99.3172.300108.6
227T36.8Very low34.8Very low116 Ų116150.5 Ų150.571%0.71276%0.758SS**  trans-111.8149.8-176.757.30000111.4
228K34.4Very low35Very low191 Ų191151.4 Ų151.483%0.8376%0.76SS**  trans72.899158.4-61.4165.2178.8177.90119
229I34Very low35.1Very low168 Ų168152 Ų15286%0.86276%0.764SS**  trans-143.397.4139.8-55.9-180000103.7
230N35.1Very low35.3Very low133 Ų133149.9 Ų149.971%0.71177%0.769SS**  60.8108.160.5-149.128.6000111.1
231I36.5Very low35.2Very low150 Ų150146 Ų14677%0.76976%0.762SS**  -162162.767.7-88.3177.1000110.4
232P36.3Very low35Very low104 Ų104145.9 Ų145.968%0.67577%0.766SS**  trans-126.8175.3-153.443.5-30.7000118.7
233S36Very low35Very low108 Ų108144.8 Ų144.876%0.75576%0.762SS**  trans-136.2120.5159.8-62.90000108.3
234Q38.1Very low34.9Very low170 Ų170146.8 Ų146.879%0.79476%0.757SS**  64.7133.383.1-65.5-176.344.600114.3
235I33.9Very low34.7Very low131 Ų131144.2 Ų144.267%0.67275%0.752SS**  cis-165.6146.5-4.4-120.6164.5000110.2
236L33.8Very low34.7Very low136 Ų136139.8 Ų139.871%0.71275%0.746SS**  trans54.1164.5165.3-89.255.1000119
237D35.3Very low34.7Very low128 Ų128137.6 Ų137.668%0.68473%0.733SS**  cis-135.1152.4-8.5-92.3-50.7000107.2
238K36.5Very low34.5Very low167 Ų167137.7 Ų137.773%0.72673%0.729SS**  cis94101.535.5-83.6-169.6172.1-177.70117.3
239T33Very low34.4Very low132 Ų132133.8 Ų133.881%0.8172%0.722SS**  trans68.5158.1145.158.90000117.1
240V35.3Very low34.3Very low121 Ų121131.8 Ų131.873%0.73371%0.713SS**  cis-159.315043.11580000112
241V35.7Very low34.2Very low122 Ų122131.1 Ų131.174%0.73971%0.709SS**  trans17.3131.8147.8-178.80000119.5
242N30.7Very low34Very low140 Ų140129.8 Ų129.875%0.74970%0.703SS**  cis100.4161.842.2-151.372000113.6
243N34.3Very low33.7Very low113 Ų113130.9 Ų130.960%0.60470%0.704SS**  trans85.1128.1177.7-52-1.9000114.1
244Q32.4Very low33.3Very low169 Ų169132.6 Ų132.679%0.7970%0.7SS**  7114065.4-75.1171.6-32.400112.6
245T33.1Very low33.1Very low104 Ų104131.5 Ų131.564%0.63869%0.692SS**  cis-158.116520.5-6.30000111.6
246D33Very low32.8Very low136 Ų136131.8 Ų131.873%0.72770%0.696SS**  trans59.3159.9143.9-56.8-21000120.9
247E34.9Very low32.9Very low151 Ų151133.4 Ų133.471%0.70671%0.705SS**  cis-156170-0.4-135.1-169.2-145.700111.9
248N31.5Very low32.5Very low118 Ų118134.2 Ų134.263%0.63170%0.704SS**  trans24.4147.2139.7-67.2-22000122.2
249T33Very low32.3Very low109 Ų109134.4 Ų134.467%0.66971%0.712SS**  cis-168.8166.389.40000113.4
250N32.5Very low31.9Very low126 Ų126133 Ų13367%0.67470%0.703SS**  trans66.5114.3139.9-72.5-12.6000124.4
251N31.7Very low31.6Very low119 Ų119135.7 Ų135.764%0.63671%0.713SS**  91.5123.8110.9-67-4.8000124.5
252N32.5Very low31.2Very low121 Ų121134.7 Ų134.765%0.64771%0.711SS**  84.4108.7127.6-64.4-2000122.4
253N30.3Very low31.2Very low128 Ų128136 Ų13668%0.68472%0.719SS**  72.8111.8119.7-61-1.7000122
254E28.3Very low30.8Very low144 Ų144135 Ų13567%0.67372%0.72SS**  76.8151.1126.1-72.1-162116.500122.4
255K32.8Very low30.8Very low146 Ų146137.2 Ų137.264%0.63573%0.728SS**  trans71.9102.4153.9-75.2148.4-173.41500118
256N27.9Very low30.6Very low138 Ų138135.5 Ų135.574%0.73873%0.731SS**  57.8120.3126.5-51.6-7.4000117.9
257N36Very low30.6Very low170 Ų170134.9 Ų134.991%0.90973%0.732SS**  -153.4146.5110.5-102.7-40.2000114.5
258H27.7Very low30.3Very low145 Ų145135.2 Ų135.267%0.67173%0.733SS**  trans-78.3141-174.7179-83.5000111.8T260H258-T260 PolarHBondContact CE1-OG1 2.79Å
259L31.4Very low30.4Very low170 Ų170136.1 Ų136.189%0.8974%0.738SS**  trans-156.599.4157.2-113.3171.1000111.7
260T24.9Very low30.1Very low102 Ų102137.6 Ų137.663%0.62674%0.742SS**  trans-86.8141.5171.545.30000111.4H258H258-T260 PolarHBondContact CE1-OG1 2.79Å
261L29.7Very low30Very low178 Ų178139.4 Ų139.493%0.93275%0.749SS**  trans-131.5119158-96169.2000109.6
262S25.8Very low29.9Very low101 Ų101139.9 Ų139.971%0.70676%0.756SS**  trans-96.7157.917850.20000111.3
263N30.9Very low29.6Very low169 Ų169140.8 Ų140.890%0.90476%0.761SS**  trans-153.7142.9147-110.5-23.8000109.5
264S27.4Very low29.5Very low92 Ų92141.7 Ų141.764%0.64377%0.766SS**  trans-149.7124.9-159.8560000114.1
265F32.4Very low29.6Very low214 Ų214143 Ų14394%0.93978%0.776SS**  trans-150139.7155.3-68.2-80.5000105.3
266G29Very low29.3Very low68 Ų68144.4 Ų144.470%0.70179%0.785SS**  cis112.1132.515.100000109.6
267V31.3Very low29.4Very low124 Ų124146.5 Ų146.575%0.75279%0.787SS**  cis-157165.52.8-159.30000108.9
268H30.3Very low29Very low158 Ų158145.9 Ų145.973%0.73178%0.782SS**  trans72.2148.3164.8-66.9-67.8000117.8
269N33.5Very low29.2Very low136 Ų136144 Ų14473%0.72779%0.785SS**  cis-144.2149.73.2-123.3-13.4000112.2
270D26.3Very low28.8Very low141 Ų141143.7 Ų143.775%0.75479%0.785SS**  trans-81.6165.9172.1-49-89.1000112.6
271I29.5Very low29.2Very low163 Ų163144.6 Ų144.684%0.83680%0.795SS**  trans168.9150.4131.3-88.1157.2000112
272V30.5Very low29Very low129 Ų129142.5 Ų142.578%0.78279%0.785SS**  trans78.3101.1-178.4-161.50000117.2
273N25.4Very low29.4Very low140 Ų140145.3 Ų145.375%0.74979%0.792SS**  trans-91.8179.6152.1-80.1-33000110.1
274D27.8Very low29.1Very low147 Ų147143.5 Ų143.579%0.78678%0.782SS**  trans73.2104.8157.1-52.4-44.2000117.7
275I31.2Very low29.4Very low173 Ų173150.2 Ų150.289%0.88780%0.795SS**  -167.4111.8103.8-88.4150.4000108.7
276E26.4Very low29.1Very low175 Ų175146.7 Ų146.782%0.81879%0.786SS**  trans-148108.6165.1-174.7-165.2-114.500108.3
277K29Very low29.3Very low182 Ų182151.4 Ų151.479%0.79180%0.795SS**  trans165.8154.6153.8-97.4157.6-171.1166.50114.8
278I28.2Very low29.1Very low157 Ų157154.6 Ų154.681%0.80580%0.802SS**  trans51.5113.11660.8178.5000116.3
279S31.6Very low29.1Very low105 Ų105150.9 Ų150.973%0.73481%0.806SS**  -168.714157.2-60.50000113.3
280N24.4Very low28.7Very low164 Ų164154.5 Ų154.588%0.87782%0.815SS**  trans-86.7138.1163.4-72-12.3000110.3
281S32.9Very low28.9Very low120 Ų120152.7 Ų152.784%0.83981%0.814SS**  trans-142128.8149.455.40000109.9
282N26.1Very low28.8Very low134 Ų134154.3 Ų154.372%0.71782%0.815SS**  trans-75.2158179.9-52-40.4000110.5
283N32.5Very low28.8Very low161 Ų161155.4 Ų155.486%0.86182%0.816SS**  trans-155.1115.4130.5-93.9-37.5000109.8
284N25.8Very low28.9Very low131 Ų131153.9 Ų153.970%0.70182%0.816SS**  trans-75.1146.4168.1-64-7.5000109.2
285Y32.5Very low29.1Very low232 Ų232154.5 Ų154.591%0.9182%0.82SS**  trans-147.8120.2136-95.9-68.7000109.8
286D27.2Very low28.9Very low140 Ų140158.1 Ų158.175%0.74982%0.822SS**  trans-65153.4170-63.6-81.8000111.3
287N32.3Very low29Very low168 Ų168154 Ų15490%0.89881%0.813SS**  trans-156.1143.7136.6-110.3-60000112.6
288H26.8Very low29Very low191 Ų191152.2 Ų152.288%0.88481%0.812SS**  trans-81.3135.3-179.8-77.6-61.2000112.1
289G30.7Very low29Very low79 Ų79152.7 Ų152.781%0.81481%0.81SS**  trans-14487.6170.800000112.3
290K24.7Very low29.2Very low212 Ų212154.2 Ų154.292%0.92281%0.809SS**  trans-84.1113.1169.3-73.8179.3-179.6172.60109.5
291S30.5Very low29.5Very low104 Ų104149.3 Ų149.373%0.72778%0.782SS**  trans-127.3148.5150.7-164.20000110.3
292K28.4Very low29.3Very low197 Ų197152.8 Ų152.886%0.85778%0.782SS**  trans-101127.5165.5-65.1171.5176.5177.70106.4
293D30.9Very low29.4Very low151 Ų151150.6 Ų150.681%0.80777%0.773SS**  trans-141.6138157.4-91-59.2000110.5
294S26.9Very low29.2Very low108 Ų108149.7 Ų149.776%0.75577%0.767SS**  trans-88.2125.7-179560000110.5
295N32.8Very low29.2Very low161 Ų161147.3 Ų147.386%0.86177%0.765SS**  trans-145.8139.5160.1-99.2-50.9000112.3S297N295-S297 PolarHBondContact O-N 2.95Å
296R26.4Very low28.9Very low249 Ų249140 Ų14094%0.9474%0.741SS**  trans-64.9120.1170.9-77.2169.4158.1169-8.7108.7
297S29.3Very low28.9Very low88 Ų88139.3 Ų139.362%0.61574%0.742SS**  trans-123.2128.8170-171.70000110.6N295 H299N295-S297 PolarHBondContact O-N 2.95Å; S297-H299 PolarHBondContact O-N 2.9Å; S297-H299 VanDerWaalsContact O-N 3.12Å
298N27.5Very low28.7Very low144 Ų144137.4 Ų137.477%0.7773%0.731SS**  trans-83.983-176.8-67.6-50.6000110.5I300N298-I300 HydrophobicContact CB-CG1 4.42Å; N298-I300 PolarHBondContact O-N 2.78Å
299H29.8Very low28.8Very low168 Ų168137.4 Ų137.478%0.77873%0.729SS**  trans-74.377167.7-76.8-59000111.1S297S297-H299 PolarHBondContact O-N 2.9Å; S297-H299 VanDerWaalsContact O-N 3.12Å
300I34.2Very low28.6Very low136 Ų136140.8 Ų140.870%0.69773%0.728SS**  trans-64.6142.5165-62.3169000108.5N298 K302N298-I300 HydrophobicContact CB-CG1 4.42Å; N298-I300 PolarHBondContact O-N 2.78Å; I300-K302 PolarHBondContact O-N 3.38Å
301I30.6Very low28.9Very low61 Ų61136.2 Ų136.231%0.31372%0.723SS.*  trans-55.4111172.4-51.6172.6000108.8T303 L406 V477I301-T303 PolarHBondContact O-N 2.63Å; I301-L406 VanDerWaalsContact CD1-O 3.27Å; I301-L406 WeakPolarHBondContact CD1-O 3.45Å; I301-V477 HydrophobicContact CD1-CG1 4.04Å
302K29.6Very low28.6Very low194 Ų194137.7 Ų137.784%0.84373%0.728SS**  trans-74.869.8172.5-77-172.4174.2-178.20110.7I300 I304I300-K302 PolarHBondContact O-N 3.38Å; K302-I304 PolarHBondContact O-N 3Å
303T28.1Very low28.7Very low87 Ų87137.3 Ų137.353%0.53473%0.729SS.*  trans-67.3108.7155.9-58.40000106.9I301 A305I301-T303 PolarHBondContact O-N 2.63Å; T303-A305 PolarHBondContact O-N 2.68Å
304I28Very low28.6Very low142 Ų142135 Ų13573%0.72873%0.725SS**  trans-73.796.7-178.5-62.5175000108.5K302 I306K302-I304 PolarHBondContact O-N 3Å; I304-I306 HydrophobicContact CG2-CD1 4.09Å; I304-I306 HydrophobicContact CG2-CG1 3.79Å
305A25.7Very low28.5Very low81 Ų81136.7 Ų136.767%0.66973%0.725SS**  trans-106.997169.900000108.7T303 T307T303-A305 PolarHBondContact O-N 2.68Å; A305-T307 PolarHBondContact O-N 2.98Å
306I26.9Very low28.4Very low79 Ų79137 Ų13741%0.40573%0.727SS.*  trans-78.388179.7-60.8172.8000108.5E59 I304 L308E59-I306 VanDerWaalsContact OE2-CD1 3.27Å; E59-I306 WeakPolarHBondContact OE2-CD1 3.21Å; I304-I306 HydrophobicContact CG2-CD1 4.09Å; I304-I306 HydrophobicContact CG2-CG1 3.79Å; I306-L308 HydrophobicContact CG2-CD2 4.33Å; I306-L308 HydrophobicContact CG2-CG 4.42Å; I306-L308 PolarHBondContact O-N 2.84Å
307T26.1Very low28.4Very low126 Ų126131.3 Ų131.377%0.77372%0.715SS**  trans-71.695.9168.4-51.80000109.2A305 K309A305-T307 PolarHBondContact O-N 2.98Å; T307-K309 PolarHBondContact O-N 2.91Å; T307-K309 VanDerWaalsContact O-N 3.12Å
308L28.8Very low28.5Very low127 Ų127138.4 Ų138.467%0.66573%0.73SS**  trans-58.3114.1175.3-74.7168.2000110.6I306 N310I306-L308 HydrophobicContact CG2-CD2 4.33Å; I306-L308 HydrophobicContact CG2-CG 4.42Å; I306-L308 PolarHBondContact O-N 2.84Å; L308-N310 PolarHBondContact O-N 3.04Å
309K28.7Very low28.5Very low192 Ų192136.9 Ų136.984%0.83573%0.726SS**  trans-77.1109163.2-76.8-178.1174.9178.80108.2T307 S311T307-K309 PolarHBondContact O-N 2.91Å; T307-K309 VanDerWaalsContact O-N 3.12Å; K309-S311 PolarHBondContact O-N 3.22Å
310N26.9Very low28.5Very low150 Ų150134.4 Ų134.480%0.80272%0.722SS**  trans-71.793.9168.1-70.7-5.2000109.3L308L308-N310 PolarHBondContact O-N 3.04Å
311S30.4Very low28.5Very low115 Ų115136.2 Ų136.280%0.80473%0.725SS**  trans-65.9136.2165.8-65.90000110.1K309K309-S311 PolarHBondContact O-N 3.22Å
312T24.7Very low28.3Very low135 Ų135141.6 Ų141.683%0.82875%0.749SS**  trans-92.2103.5-176.248.90000112.1
313E29.6Very low28.6Very low190 Ų190140 Ų14089%0.88875%0.748SS**  trans-164.8144.6168-104.1159.1-138.600107.9
314S29.7Very low28.7Very low102 Ų102140.1 Ų140.171%0.71375%0.753SS**  cis-153.6165.2-23.759.80000109.9
315N24.9Very low28.9Very low144 Ų144139.5 Ų139.577%0.7775%0.751SS**  trans-18.5135.8176-47.6-28000118.7
316N31.4Very low29.2Very low168 Ų168141.5 Ų141.590%0.89875%0.75SS**  -159.4141.7116.1-97.1-38.3000111.6
317D25Very low29.6Very low128 Ų128142.6 Ų142.668%0.68477%0.765SS**  trans-70.2154.8174-79.2-70.2000112.2
318Y31Very low29.9Very low238 Ų238142.2 Ų142.293%0.93376%0.762SS**  -154.8125.6111.9-100.3-67.3000110.4
319T27.7Very low30.1Very low112 Ų112142.2 Ų142.269%0.68776%0.763SS**  trans-84.5163.1-179.751.70000112.1
320V30Very low30.2Very low115 Ų115139 Ų13970%0.69776%0.755SS**  -177.2121.9125.5141.30000112.4
321K33.9Very low30.6Very low174 Ų174139.2 Ų139.276%0.75775%0.751SS**  trans52.4119.8154.6-59167-166.5171.10118.4
322E28.2Very low30.6Very low175 Ų175139.8 Ų139.882%0.81875%0.745SS**  cis71.412944.2-61.1-166.7126.700117
323I34.2Very low30.9Very low159 Ų159139.5 Ų139.582%0.81574%0.738SS**  trans156.1108148.9-83.4157.8000104.6
324S31.1Very low31Very low91 Ų91137 Ų13764%0.63673%0.73SS**  67.5144.557-58.40000113.5
325N32.8Very low31.1Very low129 Ų129141.1 Ų141.169%0.6974%0.738SS**  cis-157.5174.2-15.4-107.349.4000104.5
326D30.5Very low31.3Very low123 Ų123138 Ų13866%0.65874%0.74SS**  cis-160-178.410.6-142.1-51.8000110.8
327S35.7Very low31.2Very low102 Ų102138.7 Ų138.771%0.71374%0.735SS**  trans73.4142.2158.3740000120.1
328V32.8Very low31.3Very low118 Ų118138.1 Ų138.172%0.71574%0.736SS**  cis127.9131.3-10.3170.10000114
329N32.4Very low31.2Very low126 Ų126132.5 Ų132.567%0.67473%0.727SS**  trans78.898.9160.6-73.3-10.2000123.1
330N30.3Very low31.4Very low126 Ų126132.3 Ų132.367%0.67473%0.726SS**  87.1149.2107-64.5-9000124.3
331H35.8Very low31.3Very low154 Ų154133.3 Ų133.371%0.71373%0.727SS**  trans76.1110.5160-68.9-56.9000120
332N30.7Very low31.2Very low126 Ų126131.2 Ų131.267%0.67472%0.724SS**  41.3134.5103.1-54.926000117
333D32.1Very low31.3Very low130 Ų130130.1 Ų130.170%0.69572%0.717SS**  cis-162.7158.729-124.3-34.9000115.1
334L31.7Very low31.3Very low136 Ų136134 Ų13471%0.71272%0.723SS**  trans32.5128.5145.4-85.1159.9000124.6
335Q30.9Very low31.1Very low190 Ų190135.1 Ų135.189%0.88873%0.731SS**  trans91.9132.5145.3-65.2-175.449.500122.3
336G29.6Very low31Very low79 Ų79134.3 Ų134.381%0.81474%0.735SS**  trans105.8125.1148.600000117.3
337K28.4Very low30.9Very low182 Ų182134.4 Ų134.479%0.79174%0.743SS**  cis176139.1-33.2160.3177.5174.3-175.80106.7
338T27.2Very low30.6Very low116 Ų116136.2 Ų136.271%0.71274%0.743SS**  trans60.7150.6174.248.40000115.1
339T28.3Very low30.3Very low120 Ų120136.9 Ų136.974%0.73675%0.747SS**  cis-162169.3-6.914.10000106.6
340T32.6Very low30.2Very low107 Ų107137 Ų13766%0.65675%0.746SS**  cis-156.3173.413.4-6.10000109.6
341D27.2Very low30Very low136 Ų136138.2 Ų138.273%0.72775%0.752SS**  trans22.4136.2140.8-49.7-15.7000120.3
342D33.6Very low29.6Very low130 Ų130134.8 Ų134.870%0.69575%0.745SS**  -157.8173.559.7-142.5-18.5000116.8
343K30.3Very low29.4Very low153 Ų153131.2 Ų131.267%0.66574%0.738SS**  trans-71150.1-165.5-51.3142.7-166.785.20114.8
344Y33.6Very low29.1Very low240 Ų240133 Ų13394%0.94174%0.74SS**  -151.2129.6124.3-97.6-71.1000110.2
345S27.3Very low28.9Very low115 Ų115132.1 Ų132.180%0.80474%0.74SS**  trans-125.2130.3-179.1-55.60000111
346S29.6Very low28.6Very low111 Ų111130.4 Ų130.478%0.77674%0.737SS**  trans-111.8145.6167.5-68.80000109.3I348S346-I348 PolarHBondContact O-N 3.38Å
347P29Very low28.7Very low126 Ų126130.1 Ų130.182%0.81872%0.723SS**  trans-74.2114-166.428.4-34.7000112.2V349P347-V349 PolarHBondContact O-N 3.45Å
348I28.8Very low28.7Very low139 Ų139126.4 Ų126.471%0.71372%0.719SS**  trans-69.8116.8164.7-52.1175.4000107.1S346 I350S346-I348 PolarHBondContact O-N 3.38Å; I348-I350 HydrophobicContact CB-CD1 4.43Å; I348-I350 HydrophobicContact CB-CG1 3.92Å; I348-I350 HydrophobicContact CG2-CD1 4.37Å; I348-I350 HydrophobicContact CG2-CG1 3.53Å; I348-I350 PolarHBondContact O-N 3.12Å
349V27.9Very low29Very low133 Ų133128.9 Ų128.981%0.80672%0.721SS**  trans-75.478.7171-177.50000108.3P347 N351P347-V349 PolarHBondContact O-N 3.45Å; V349-N351 VanDerWaalsContact C-N 3.27Å; V349-N351 PolarHBondContact O-N 2.98Å
350I29.2Very low29Very low127 Ų127128.9 Ų128.965%0.65172%0.716SS**  trans-71.384.3176.3-58.2173.8000107.8I348 C352I348-I350 HydrophobicContact CB-CD1 4.43Å; I348-I350 HydrophobicContact CB-CG1 3.92Å; I348-I350 HydrophobicContact CG2-CD1 4.37Å; I348-I350 HydrophobicContact CG2-CG1 3.53Å; I348-I350 PolarHBondContact O-N 3.12Å; I350-C352 HydrophobicContact CG2-CB 3.42Å; I350-C352 VanDerWaalsContact CG2-CB 3.42Å; I350-C352 PolarHBondContact O-N 3.22Å
351N27.3Very low29Very low152 Ų152129.4 Ų129.481%0.81372%0.724SS**  trans-78.846.9163-158.120.9000110.7V349 G353V349-N351 VanDerWaalsContact C-N 3.27Å; V349-N351 PolarHBondContact O-N 2.98Å; N351-G353 PolarHBondContact O-N 3.06Å
352C26.1Very low29.3Very low82 Ų82128.2 Ų128.255%0.55472%0.718SS**  trans-72.577.1160.4-174.30000106.6I350 K354I350-C352 HydrophobicContact CG2-CB 3.42Å; I350-C352 VanDerWaalsContact CG2-CB 3.42Å; I350-C352 PolarHBondContact O-N 3.22Å; C352-K354 PolarHBondContact O-N 3.34Å
353G26.8Very low29.4Very low52 Ų52130.6 Ų130.654%0.53672%0.724SS.*  trans-62.487.6166.800000108.1N351 T355N351-G353 PolarHBondContact O-N 3.06Å; G353-T355 PolarHBondContact O-N 2.81Å
354K25.9Very low29.8Very low168 Ų168129 Ų12973%0.7372%0.722SS**  trans-66.378.3171.1-70-175.5178.7-178.80108.8C352 N356C352-K354 PolarHBondContact O-N 3.34Å; K354-N356 PolarHBondContact O-N 3.08Å
355T27Very low30Very low117 Ų117123.5 Ų123.572%0.71872%0.716SS**  trans-66.985.1160500000107.1G353 S357G353-T355 PolarHBondContact O-N 2.81Å; T355-S357 PolarHBondContact O-N 2.91Å
356N26Very low30.9Very low154 Ų154122.1 Ų122.182%0.82470%0.699SS**  trans-68.450162.8-74.98000109.8K354K354-N356 PolarHBondContact O-N 3.08Å
357S29.7Very low31.9Very low73 Ų73121.6 Ų121.651%0.5169%0.687SS.*  trans-91.395.8163.352.60000106.3T355 F359T355-S357 PolarHBondContact O-N 2.91Å; S357-F359 PolarHBondContact O-N 3.13Å
358S29Very low33Very low103 Ų103125.8 Ų125.872%0.7269%0.693SS**  trans-49.4124.9158.4177.40000107.4N360S358-N360 PolarHBondContact O-N 3.37Å
359F33.7Very low34.7Very low169 Ų169121.7 Ų121.774%0.74168%0.676SS**  trans-69.687.2174.1-101.2-88.1000107.8S357 S361S357-F359 PolarHBondContact O-N 3.13Å; F359-S361 PolarHBondContact O-N 3.3Å
360N28.9Very low37Very low119 Ų119116.3 Ų116.364%0.63664%0.643SS**  trans-55.7104.4169.3-95.8-24.8000108.1S358 N362S358-N360 PolarHBondContact O-N 3.37Å; N360-N362 HydrophobicContact CB-CB 4.43Å; N360-N362 PolarHBondContact O-N 3.22Å
361S33.2Very low39.6Very low119 Ų119111.1 Ų111.183%0.83262%0.618SS**  trans-74.140.2175.746.60000111.8F359 H363F359-S361 PolarHBondContact O-N 3.3Å; S361-H363 PolarHBondContact O-N 3.5Å
362N32.5Very low42.6Very low111 Ų111108.5 Ų108.559%0.59460%0.599SS**  trans-86.794.3-170.3-69-7.8000110.3N360N360-N362 HydrophobicContact CB-CB 4.43Å; N360-N362 PolarHBondContact O-N 3.22Å
363H36.3Very low45.7Very low179 Ų179104.6 Ų104.683%0.82957%0.573SS**SBendtrans55.670.1156.3-64-82000117.3S361S361-H363 PolarHBondContact O-N 3.5Å
364I37.1Very low48.8Very low121 Ų121102.2 Ų102.262%0.62155%0.548SS*.  trans-110.9131.8132.9-61.2176.1000106L366I364-L366 PolarHBondContact O-N 2.94Å
365P38.6Very low51.9Low124 Ų12497.5 Ų97.581%0.80553%0.526SS*.  trans-62.8103.6171.8-18.932000109.1D367P365-D367 PolarHBondContact O-N 2.93Å; P365-D367 VanDerWaalsContact O-N 3.14Å
366L46.4Very low54.9Low85 Ų8594.1 Ų94.145%0.44550%0.5SS..  trans-63.6114.8170.4-167.871.7000106.7I364 K368 L370 Y375I364-L366 PolarHBondContact O-N 2.94Å; L366-K368 PolarHBondContact O-N 3.11Å; L366-L370 HydrophobicContact CD1-CB 4.25Å; L366-L370 HydrophobicContact CD1-CD2 3.84Å; L366-L370 HydrophobicContact CD1-CG 4.04Å; L366-L370 WeakPolarHBondContact CD2-O 3.3Å; L366-L370 HydrophobicContact CG-CB 4.45Å; L366-Y375 HydrophobicContact CD1-CG 4.49Å
367D49.9Very low58.1Low100 Ų10087 Ų8754%0.53546%0.462SS..  trans-55.4137.9173.5174.147000108.8P365 S369 L370P365-D367 PolarHBondContact O-N 2.93Å; P365-D367 VanDerWaalsContact O-N 3.14Å; D367-S369 PolarHBondContact O-N 3.45Å; D367-S369 WeakPolarHBondContact OD2-CB 3.5Å; D367-S369 PolarHBondContact OD2-OG 3.47Å; D367-L370 PolarHBondContact O-N 3.39Å
368K53.6Low61Low215 Ų21583.8 Ų83.894%0.93544%0.439SS*.THydrogen-bonded Turntrans-66.7-5.8-166.2-153.1175.4-178.4-1780113.1L366L366-K368 PolarHBondContact O-N 3.11Å
369S64.8Low63.8Low53 Ų5381.8 Ų81.837%0.37142%0.42SS..THydrogen-bonded Turntrans-92.9-11.8174.8790000115.1D367D367-S369 PolarHBondContact O-N 3.45Å; D367-S369 WeakPolarHBondContact OD2-CB 3.5Å; D367-S369 PolarHBondContact OD2-OG 3.47Å
370L74.5Confident66.5Low20 Ų2077.3 Ų77.311%0.10540%0.401CS..  trans-101.7123.8-170.1-178.560.5000112.1N189 P191 L366 D367 I374 Y375N189-L370 WeakPolarHBondContact O-CD1 3.41Å; P191-L370 HydrophobicContact CB-CD2 3.84Å; P191-L370 HydrophobicContact CG-CD2 4.15Å; L366-L370 HydrophobicContact CD1-CB 4.25Å; L366-L370 HydrophobicContact CD1-CD2 3.84Å; L366-L370 HydrophobicContact CD1-CG 4.04Å; L366-L370 WeakPolarHBondContact CD2-O 3.3Å; L366-L370 HydrophobicContact CG-CB 4.45Å; D367-L370 PolarHBondContact O-N 3.39Å; L370-I374 HydrophobicContact CD1-CG2 4.36Å; L370-Y375 HydrophobicContact CD2-CD2 3.88Å; L370-Y375 HydrophobicContact CD2-CG 4.29Å
371S85.5Confident69.5Low18 Ų1872.2 Ų72.213%0.12637%0.374CS..  trans-81.1147.9176.260.60000112.7W181 F373 I374 Y375W181-S371 VanDerWaalsContact CD1-OG 3.28Å; S371-F373 VanDerWaalsContact C-N 3.28Å; S371-F373 PolarHBondContact O-N 2.85Å; S371-I374 PolarHBondContact O-N 3.17Å; S371-I374 WeakPolarHBondContact OG-CB 3.22Å; S371-I374 VanDerWaalsContact OG-CG1 3.31Å; S371-I374 WeakPolarHBondContact OG-CG1 3.41Å; S371-I374 PolarHBondContact OG-N 2.87Å; S371-Y375 WeakPolarHBondContact O-CB 3.46Å; S371-Y375 PolarHBondContact O-N 3.48Å
372K88.8Confident72.2Confident96 Ų9666.6 Ų66.642%0.41733%0.334SS..Hα-helixtrans-54.8-45.5175.9-55.3-179.8-159.9135.30111.4E177 E180 Y375 R376E177-K372 HydrophobicContact CG-CB 3.81Å; E177-K372 HydrophobicContact CG-CD 4.25Å; E180-K372 WeakPolarHBondContact OE1-CE 3.34Å; E180-K372 IonicContact OE1-NZ 2.85Å; E180-K372 PolarHBondContact OE1-NZ 2.77Å; E180-K372 WeakPolarHBondContact OE2-CD 3.35Å; E180-K372 WeakPolarHBondContact OE2-CE 3.46Å; E180-K372 IonicContact OE2-NZ 2.76Å; E180-K372 PolarHBondContact OE2-NZ 3.49Å; K372-Y375 CarbonylContact O-C 3.56Å; K372-Y375 WeakPolarHBondContact O-CB 3.41Å; K372-Y375 PolarHBondContact O-N 3.44Å; K372-R376 WeakPolarHBondContact O-CB 3.44Å; K372-R376 PolarHBondContact O-N 3.38Å
373F92.2Very high74.9Confident1 Ų165.1 Ų65.10%0.00432%0.323CS..Hα-helixtrans-57.8-52.8179.3-174.2-117.9000113.4T174 E177 F178 W181 S371 Y375 R376 L377 L483 F526 I529T174-F373 HydrophobicContact CG2-CD2 4.43Å; T174-F373 HydrophobicContact CG2-CE2 4.16Å; E177-F373 HydrophobicContact CB-CB 4.09Å; E177-F373 HydrophobicContact CB-CD2 4.34Å; E177-F373 WeakPolarHBondContact O-CB 3.47Å; F178-F373 HydrophobicContact CB-CD2 3.92Å; F178-F373 HydrophobicContact CB-CE1 4.48Å; F178-F373 HydrophobicContact CB-CE2 3.69Å; F178-F373 HydrophobicContact CB-CG 4.42Å; F178-F373 HydrophobicContact CB-CZ 3.98Å; F178-F373 HydrophobicContact CD2-CD1 4.46Å; F178-F373 AromaticContact CD2-CE1 3.78Å; F178-F373 HydrophobicContact CD2-CE1 3.78Å; F178-F373 HydrophobicContact CD2-CE2 4.29Å; F178-F373 AromaticContact CD2-CZ 3.68Å; F178-F373 HydrophobicContact CD2-CZ 3.68Å; F178-F373 HydrophobicContact CG-CE2 4.43Å; F178-F373 HydrophobicContact CG-CZ 4.24Å; W181-F373 HydrophobicContact CB-CB 3.85Å; W181-F373 HydrophobicContact CB-CD1 3.99Å; W181-F373 HydrophobicContact CB-CG 4.2Å; W181-F373 AromaticContact CD2-CD1 3.84Å; W181-F373 HydrophobicContact CD2-CD1 3.84Å; W181-F373 HydrophobicContact CD2-CE1 4.28Å; W181-F373 HydrophobicContact CE3-CD1 4.11Å; W181-F373 HydrophobicContact CE3-CE1 4.12Å; W181-F373 HydrophobicContact CG-CB 4.28Å; W181-F373 AromaticContact CG-CD1 3.78Å; W181-F373 HydrophobicContact CG-CD1 3.78Å; W181-F373 HydrophobicContact CG-CG 4.42Å; S371-F373 VanDerWaalsContact C-N 3.28Å; S371-F373 PolarHBondContact O-N 2.85Å; F373-Y375 VanDerWaalsContact C-N 3.3Å; F373-Y375 PolarHBondContact O-N 3.04Å; F373-R376 WeakPolarHBondContact O-CB 3.44Å; F373-R376 PolarHBondContact O-N 3.04Å; F373-L377 HydrophobicContact CD1-CD1 4.21Å; F373-L377 HydrophobicContact CE1-CD1 3.79Å; F373-L377 HydrophobicContact CZ-CD1 3.99Å; F373-L377 WeakPolarHBondContact O-CG 3.46Å; F373-L377 PolarHBondContact O-N 3.26Å; F373-L483 HydrophobicContact CE1-CD2 4.13Å; F373-F526 HydrophobicContact CE2-CE2 4.22Å; F373-I529 HydrophobicContact CE1-CD1 4.25Å; F373-I529 HydrophobicContact CZ-CD1 3.99Å; F373-I529 HydrophobicContact CZ-CG2 4.1Å
374I92Very high77.3Confident2 Ų258.7 Ų58.71%0.0130%0.297CS..Hα-helixtrans-67-33.7178.6-62.5-56.6000110.9W181 P187 L188 N189 L190 L370 S371 L377 Y378 L483W181-I374 HydrophobicContact CZ2-CD1 4.49Å; P187-I374 WeakPolarHBondContact O-CG1 3.49Å; L188-I374 HydrophobicContact CD2-CD1 4.47Å; N189-I374 WeakPolarHBondContact O-CG2 3.07Å; L190-I374 HydrophobicContact CD2-CG2 4.04Å; L370-I374 HydrophobicContact CD1-CG2 4.36Å; S371-I374 PolarHBondContact O-N 3.17Å; S371-I374 WeakPolarHBondContact OG-CB 3.22Å; S371-I374 VanDerWaalsContact OG-CG1 3.31Å; S371-I374 WeakPolarHBondContact OG-CG1 3.41Å; S371-I374 PolarHBondContact OG-N 2.87Å; I374-L377 HydrophobicContact CD1-CD1 4.11Å; I374-L377 PolarHBondContact O-N 2.66Å; I374-Y378 VanDerWaalsContact O-CB 3.24Å; I374-Y378 WeakPolarHBondContact O-CB 3.4Å; I374-Y378 PolarHBondContact O-N 2.96Å; I374-L483 HydrophobicContact CD1-CD1 3.98Å
375Y90Very high79.7Confident69 Ų6953 Ų5327%0.27127%0.268SS..Hα-helixtrans-64.9-38.4172.4-173.7-121.8000112.7P191 L366 L370 S371 K372 F373 Y378 L379P191-Y375 HydrophobicContact CG-CD2 4.35Å; L366-Y375 HydrophobicContact CD1-CG 4.49Å; L370-Y375 HydrophobicContact CD2-CD2 3.88Å; L370-Y375 HydrophobicContact CD2-CG 4.29Å; S371-Y375 WeakPolarHBondContact O-CB 3.46Å; S371-Y375 PolarHBondContact O-N 3.48Å; K372-Y375 CarbonylContact O-C 3.56Å; K372-Y375 WeakPolarHBondContact O-CB 3.41Å; K372-Y375 PolarHBondContact O-N 3.44Å; F373-Y375 VanDerWaalsContact C-N 3.3Å; F373-Y375 PolarHBondContact O-N 3.04Å; Y375-Y378 HydrophobicContact CD2-CD1 4.23Å; Y375-Y378 HydrophobicContact CE2-CD1 4.37Å; Y375-Y378 WeakPolarHBondContact O-CB 3.33Å; Y375-Y378 PolarHBondContact O-N 2.98Å; Y375-L379 HydrophobicContact CD1-CD1 4.16Å; Y375-L379 HydrophobicContact CD2-CG 4.37Å; Y375-L379 HydrophobicContact CE1-CD1 3.61Å; Y375-L379 HydrophobicContact CE1-CG 4.36Å; Y375-L379 HydrophobicContact CE2-CD1 4.11Å; Y375-L379 HydrophobicContact CE2-CD2 4.22Å; Y375-L379 HydrophobicContact CE2-CG 4.02Å; Y375-L379 WeakPolarHBondContact O-CG 3.48Å; Y375-L379 PolarHBondContact O-N 3.1Å
376R90.7Very high81.8Confident46 Ų4647.4 Ų47.417%0.17423%0.231CC..Hα-helixtrans-63.8-48.3174.3-172-179.6-68.9-122.1-3.7111.2D171 T174 E177 K372 F373 Y378 L379 Q380D171-R376 IonicContact OD2-NH1 3.2Å; T174-R376 WeakPolarHBondContact OG1-CD 3.43Å; T174-R376 PolarHBondContact OG1-NE 2.9Å; T174-R376 PolarHBondContact OG1-NH1 2.8Å; E177-R376 VanDerWaalsContact CD-NE 3.31Å; E177-R376 IonicContact OE1-CZ 3.26Å; E177-R376 IonicContact OE1-NE 3.37Å; E177-R376 PolarHBondContact OE1-NE 2.85Å; E177-R376 IonicContact OE1-NH2 2.66Å; E177-R376 PolarHBondContact OE1-NH2 3.07Å; E177-R376 WeakPolarHBondContact OE2-CD 3.47Å; E177-R376 IonicContact OE2-CZ 3.8Å; E177-R376 IonicContact OE2-NE 3.98Å; E177-R376 PolarHBondContact OE2-NE 2.84Å; E177-R376 IonicContact OE2-NH2 2.63Å; K372-R376 WeakPolarHBondContact O-CB 3.44Å; K372-R376 PolarHBondContact O-N 3.38Å; F373-R376 WeakPolarHBondContact O-CB 3.44Å; F373-R376 PolarHBondContact O-N 3.04Å; R376-Y378 VanDerWaalsContact C-N 3.31Å; R376-Y378 PolarHBondContact O-N 2.68Å; R376-L379 PolarHBondContact O-N 3.38Å; R376-Q380 HydrophobicContact CG-CG 4.36Å; R376-Q380 VanDerWaalsContact O-CB 3.3Å; R376-Q380 WeakPolarHBondContact O-CB 3.15Å; R376-Q380 WeakPolarHBondContact O-CG 3.37Å; R376-Q380 PolarHBondContact O-N 3.48Å
377L92.2Very high83Confident3 Ų349 Ų492%0.01624%0.236CC..Hα-helixtrans-60.5-40.5173.4-63.5179.9000111.8F373 I374 D381 I382 L479 L483 R533F373-L377 HydrophobicContact CD1-CD1 4.21Å; F373-L377 HydrophobicContact CE1-CD1 3.79Å; F373-L377 HydrophobicContact CZ-CD1 3.99Å; F373-L377 WeakPolarHBondContact O-CG 3.46Å; F373-L377 PolarHBondContact O-N 3.26Å; I374-L377 HydrophobicContact CD1-CD1 4.11Å; I374-L377 PolarHBondContact O-N 2.66Å; L377-D381 WeakPolarHBondContact O-CA 3.46Å; L377-D381 WeakPolarHBondContact O-CB 3.47Å; L377-D381 PolarHBondContact O-N 3.07Å; L377-I382 PolarHBondContact O-N 3.43Å; L377-I382 VanDerWaalsContact O-N 3.11Å; L377-L479 HydrophobicContact CD1-CD2 4.41Å; L377-L483 HydrophobicContact CD1-CD1 4.03Å; L377-R533 VanDerWaalsContact CD2-CD 3.44Å; L377-R533 HydrophobicContact CD2-CG 3.83Å; L377-R533 VanDerWaalsContact CD2-NE 3.32Å
378Y91.1Very high83.8Confident7 Ų751.9 Ų51.93%0.02724%0.244CC..Iπ-helixtrans-60.2-52.8176.1171.2-103.9000112L190 P191 I374 Y375 R376 I382 K383 Y398L190-Y378 HydrophobicContact CD2-CD2 3.82Å; L190-Y378 HydrophobicContact CD2-CG 4.22Å; P191-Y378 HydrophobicContact CG-CD1 3.57Å; P191-Y378 HydrophobicContact CG-CD2 4.25Å; P191-Y378 HydrophobicContact CG-CE1 3.62Å; P191-Y378 HydrophobicContact CG-CE2 4.27Å; P191-Y378 HydrophobicContact CG-CG 3.9Å; I374-Y378 VanDerWaalsContact O-CB 3.24Å; I374-Y378 WeakPolarHBondContact O-CB 3.4Å; I374-Y378 PolarHBondContact O-N 2.96Å; Y375-Y378 HydrophobicContact CD2-CD1 4.23Å; Y375-Y378 HydrophobicContact CE2-CD1 4.37Å; Y375-Y378 WeakPolarHBondContact O-CB 3.33Å; Y375-Y378 PolarHBondContact O-N 2.98Å; R376-Y378 VanDerWaalsContact C-N 3.31Å; R376-Y378 PolarHBondContact O-N 2.68Å; Y378-I382 PolarHBondContact O-N 3.17Å; Y378-K383 HydrophobicContact CD2-CB 4.48Å; Y378-K383 HydrophobicContact CE1-CB 4.32Å; Y378-K383 HydrophobicContact CE1-CD 3.85Å; Y378-K383 HydrophobicContact CE1-CG 4.5Å; Y378-K383 HydrophobicContact CE2-CB 4.14Å; Y378-K383 WeakPolarHBondContact O-CB 3.43Å; Y378-K383 PolarHBondContact O-N 2.89Å; Y378-Y398 HydrophobicContact CE2-CD2 4.12Å; Y378-Y398 HydrophobicContact CE2-CE1 4.45Å; Y378-Y398 AromaticContact CE2-CE2 3.68Å; Y378-Y398 HydrophobicContact CE2-CE2 3.68Å; Y378-Y398 AromaticContact CE2-CZ 3.88Å
379L88.6Confident84.8Confident61 Ų6142.7 Ų42.732%0.31921%0.205SC..Iπ-helixtrans-69.1-45.4-177.9-71.7-176.9000113.1Y375 R376 K383 P384Y375-L379 HydrophobicContact CD1-CD1 4.16Å; Y375-L379 HydrophobicContact CD2-CG 4.37Å; Y375-L379 HydrophobicContact CE1-CD1 3.61Å; Y375-L379 HydrophobicContact CE1-CG 4.36Å; Y375-L379 HydrophobicContact CE2-CD1 4.11Å; Y375-L379 HydrophobicContact CE2-CD2 4.22Å; Y375-L379 HydrophobicContact CE2-CG 4.02Å; Y375-L379 WeakPolarHBondContact O-CG 3.48Å; Y375-L379 PolarHBondContact O-N 3.1Å; R376-L379 PolarHBondContact O-N 3.38Å; L379-K383 HydrophobicContact CD2-CD 3.97Å; L379-P384 WeakPolarHBondContact O-CD 3.46Å
380Q89.5Confident85.4Confident74 Ų7444.6 Ų44.635%0.34621%0.211SC..Iπ-helixtrans-81.6-39.6-171.1-64.1-175.72.600112.4R376 R540R376-Q380 HydrophobicContact CG-CG 4.36Å; R376-Q380 VanDerWaalsContact O-CB 3.3Å; R376-Q380 WeakPolarHBondContact O-CB 3.15Å; R376-Q380 WeakPolarHBondContact O-CG 3.37Å; R376-Q380 PolarHBondContact O-N 3.48Å; Q380-R540 PolarHBondContact O-NH1 3.14Å
381D91.3Very high85.6Confident12 Ų1250.4 Ų50.46%0.06423%0.232CC..Iπ-helixtrans-108-53.1-168.6-57.6-73.6000112.8L377 R533 I536 R540L377-D381 WeakPolarHBondContact O-CA 3.46Å; L377-D381 WeakPolarHBondContact O-CB 3.47Å; L377-D381 PolarHBondContact O-N 3.07Å; D381-R533 IonicContact OD1-NE 2.69Å; D381-R533 IonicContact OD1-NH2 2.74Å; D381-R533 IonicContact OD2-CZ 3.41Å; D381-R533 VanDerWaalsContact OD2-CZ 3.26Å; D381-R533 IonicContact OD2-NE 3.15Å; D381-R533 PolarHBondContact OD2-NE 3.12Å; D381-R533 IonicContact OD2-NH2 2.68Å; D381-R533 PolarHBondContact OD2-NH2 2.87Å; D381-I536 HydrophobicContact CB-CD1 4.35Å; D381-I536 HydrophobicContact CB-CG2 4.22Å; D381-I536 WeakPolarHBondContact O-CG2 3.43Å; D381-R540 PolarHBondContact O-NH1 2.89Å
382I91.4Very high85.5Confident1 Ų157.3 Ų57.31%0.00526%0.259CS..Iπ-helixtrans-82.3-55.8-167.6-58.9162.6000112.7L190 L377 Y378 P384 C385 F386 Y398 I476 F480L190-I382 HydrophobicContact CD2-CD1 4.18Å; L377-I382 PolarHBondContact O-N 3.43Å; L377-I382 VanDerWaalsContact O-N 3.11Å; Y378-I382 PolarHBondContact O-N 3.17Å; I382-P384 VanDerWaalsContact C-CD 3.43Å; I382-P384 VanDerWaalsContact C-N 3.31Å; I382-C385 VanDerWaalsContact O-CB 3.31Å; I382-C385 WeakPolarHBondContact O-CB 3.2Å; I382-C385 PolarHBondContact O-N 2.8Å; I382-F386 HydrophobicContact CG2-CE2 4.38Å; I382-Y398 HydrophobicContact CG2-CE1 3.89Å; I382-I476 HydrophobicContact CG1-CG1 4.47Å; I382-I476 HydrophobicContact CG1-CG2 4.13Å; I382-I476 HydrophobicContact CG2-CD1 4.18Å; I382-I476 HydrophobicContact CG2-CG2 4.35Å; I382-F480 HydrophobicContact CD1-CE2 3.64Å; I382-F480 HydrophobicContact CD1-CZ 3.99Å
383K88.4Confident85.4Confident81 Ų8153.4 Ų53.435%0.35224%0.243SC..G310 helixtrans-52.7-39.8-176.6-179.7178.7-178.41730113.1Y378 L379 C385 F386Y378-K383 HydrophobicContact CD2-CB 4.48Å; Y378-K383 HydrophobicContact CE1-CB 4.32Å; Y378-K383 HydrophobicContact CE1-CD 3.85Å; Y378-K383 HydrophobicContact CE1-CG 4.5Å; Y378-K383 HydrophobicContact CE2-CB 4.14Å; Y378-K383 WeakPolarHBondContact O-CB 3.43Å; Y378-K383 PolarHBondContact O-N 2.89Å; L379-K383 HydrophobicContact CD2-CD 3.97Å; K383-C385 VanDerWaalsContact C-N 3.29Å; K383-C385 PolarHBondContact O-N 3.22Å; K383-F386 PolarHBondContact O-N 2.96Å
384P88Confident85.1Confident43 Ų4354.5 Ų54.528%0.27925%0.249SC..G310 helixtrans-73.2-10.5178.3-18.333.7000115.2L379 I382 F386L379-P384 WeakPolarHBondContact O-CD 3.46Å; I382-P384 VanDerWaalsContact C-CD 3.43Å; I382-P384 VanDerWaalsContact C-N 3.31Å; P384-F386 VanDerWaalsContact C-N 3.26Å; P384-F386 PolarHBondContact O-N 3.5Å
385C86.7Confident84.7Confident3 Ų356.3 Ų56.32%0.0226%0.261CS..G310 helixtrans-67.9-28173-74.90000112.9I382 K383 R472 I476 R540I382-C385 VanDerWaalsContact O-CB 3.31Å; I382-C385 WeakPolarHBondContact O-CB 3.2Å; I382-C385 PolarHBondContact O-N 2.8Å; K383-C385 VanDerWaalsContact C-N 3.29Å; K383-C385 PolarHBondContact O-N 3.22Å; C385-R472 HydrophobicContact CB-CB 4.36Å; C385-R472 PolarHBondContact O-NH1 3.06Å; C385-R472 VanDerWaalsContact O-NH1 3.11Å; C385-I476 HydrophobicContact CB-CD1 3.86Å; C385-R540 HydrophobicContact CB-CG 4.48Å; C385-R540 VanDerWaalsContact SG-CD 3.5Å; C385-R540 WeakPolarHBondContact SG-CG 3.36Å
386F83Confident84.6Confident6 Ų653.8 Ų53.83%0.02625%0.254CS..G310 helixtrans-121.324.7-164.4-57.3-59.1000113.8I382 K383 P384 F388 I389 I394 I397 Y398 L441 L473 I476I382-F386 HydrophobicContact CG2-CE2 4.38Å; K383-F386 PolarHBondContact O-N 2.96Å; P384-F386 VanDerWaalsContact C-N 3.26Å; P384-F386 PolarHBondContact O-N 3.5Å; F386-F388 PolarHBondContact O-N 3.29Å; F386-I389 HydrophobicContact CB-CD1 3.84Å; F386-I389 HydrophobicContact CD1-CD1 3.79Å; F386-I389 HydrophobicContact CG-CD1 4.3Å; F386-I394 HydrophobicContact CB-CG1 4.49Å; F386-I397 HydrophobicContact CE2-CG2 4.37Å; F386-I397 HydrophobicContact CZ-CG2 4.34Å; F386-Y398 AromaticContact CD2-CE1 3.74Å; F386-Y398 HydrophobicContact CD2-CE1 3.74Å; F386-Y398 HydrophobicContact CE2-CE1 4.12Å; F386-L441 HydrophobicContact CE1-CD1 4.49Å; F386-L473 HydrophobicContact CE1-CD2 3.94Å; F386-L473 HydrophobicContact CE1-CG 4.12Å; F386-L473 HydrophobicContact CZ-CD2 3.67Å; F386-L473 HydrophobicContact CZ-CG 4.15Å; F386-I476 HydrophobicContact CE2-CD1 3.5Å; F386-I476 VanDerWaalsContact CE2-CD1 3.5Å; F386-I476 HydrophobicContact CZ-CD1 3.68Å
387Q71.5Confident84.5Confident119 Ų11951.6 Ų51.656%0.55625%0.246SC*.THydrogen-bonded Turntrans-62.6135177.6-154.4-179.11.300110.8
388F66.1Low84.4Confident159 Ų15952.4 Ų52.470%0.69725%0.249SC*.THydrogen-bonded Turntrans68.927179-42.4-74.3000117.1L135 F386L135-F388 HydrophobicContact CD1-CE2 4.07Å; L135-F388 HydrophobicContact CD1-CZ 3.73Å; L135-F388 HydrophobicContact CD2-CE2 4.08Å; L135-F388 HydrophobicContact CD2-CZ 4.24Å; F386-F388 PolarHBondContact O-N 3.29Å
389I74.8Confident84.1Confident22 Ų2256.6 Ų56.611%0.11327%0.268CS..SBendtrans-97.6160.4174.7-58176.1000110.7F386 R391 L393 I394 L441F386-I389 HydrophobicContact CB-CD1 3.84Å; F386-I389 HydrophobicContact CD1-CD1 3.79Å; F386-I389 HydrophobicContact CG-CD1 4.3Å; I389-R391 PolarHBondContact O-N 3.19Å; I389-L393 HydrophobicContact CG2-CD2 4.48Å; I389-I394 HydrophobicContact CB-CD1 3.82Å; I389-I394 HydrophobicContact CB-CG1 3.75Å; I389-I394 HydrophobicContact CG2-CD1 4.41Å; I389-I394 HydrophobicContact CG2-CG1 3.85Å; I389-I394 WeakPolarHBondContact O-CD1 3.2Å; I389-L441 HydrophobicContact CD1-CB 3.81Å; I389-L441 HydrophobicContact CD1-CD2 3.99Å; I389-L441 HydrophobicContact CD1-CG 4.46Å; I389-L441 WeakPolarHBondContact CD1-O 3.39Å; I389-L441 WeakPolarHBondContact CG1-O 3.33Å; I389-L441 HydrophobicContact CG2-CD2 3.73Å
390D77.6Confident84.1Confident94 Ų9453.8 Ų53.850%0.50325%0.254SS..  trans-52.1125.2170.7171.622.5000111.5K392 L393 I394D390-K392 PolarHBondContact O-N 3.28Å; D390-K392 PolarHBondContact OD1-N 3.49Å; D390-L393 HydrophobicContact CB-CB 4.24Å; D390-L393 PolarHBondContact O-N 3.15Å; D390-I394 WeakPolarHBondContact O-CG1 3.49Å; D390-I394 PolarHBondContact O-N 3.17Å
391R79.3Confident84.1Confident142 Ų14250.3 Ų50.354%0.53624%0.238SC..Hα-helixtrans-57.9-34.3-179.5-66.8-175.9179.5-104.43.5112.7A194 I389 S395A194-R391 PolarHBondContact O-NH1 2.88Å; A194-R391 VanDerWaalsContact O-NH1 3.15Å; I389-R391 PolarHBondContact O-N 3.19Å; R391-S395 WeakPolarHBondContact O-CB 3.36Å; R391-S395 PolarHBondContact O-N 3.12Å
392K82.3Confident84Confident162 Ų16251.2 Ų51.270%0.70424%0.244SC*.Hα-helixtrans-66.1-52.2177.7-66.3-177.1176-176.60110.5D390 I394 S395 S396D390-K392 PolarHBondContact O-N 3.28Å; D390-K392 PolarHBondContact OD1-N 3.49Å; K392-I394 PolarHBondContact O-N 2.66Å; K392-S395 WeakPolarHBondContact O-CB 3.3Å; K392-S395 PolarHBondContact O-N 3.24Å; K392-S395 VanDerWaalsContact O-N 3.12Å; K392-S396 PolarHBondContact O-N 3.12Å; K392-S396 VanDerWaalsContact O-N 3.1Å; K392-S396 PolarHBondContact O-OG 3.41Å
393L86.6Confident83.7Confident14 Ų1456.2 Ų56.27%0.07327%0.267CS..Hα-helixtrans-60.7-42.1178.5-172.857.8000112.3I389 D390 S395 I397 L441 I453 I461I389-L393 HydrophobicContact CG2-CD2 4.48Å; D390-L393 HydrophobicContact CB-CB 4.24Å; D390-L393 PolarHBondContact O-N 3.15Å; L393-S395 PolarHBondContact O-N 3.46Å; L393-I397 HydrophobicContact CG-CD1 4.32Å; L393-I397 VanDerWaalsContact O-CG1 3.28Å; L393-I397 WeakPolarHBondContact O-CG1 3.24Å; L393-I397 PolarHBondContact O-N 2.9Å; L393-I397 VanDerWaalsContact O-N 3.1Å; L393-L441 HydrophobicContact CD2-CD2 3.5Å; L393-L441 VanDerWaalsContact CD2-CD2 3.5Å; L393-L441 HydrophobicContact CD2-CG 4.47Å; L393-L441 HydrophobicContact CG-CD2 3.88Å; L393-I453 HydrophobicContact CD1-CD1 3.53Å; L393-I461 HydrophobicContact CD1-CG2 4.06Å
394I86.7Confident83.7Confident25 Ų2554.6 Ų54.613%0.12826%0.262CS..Hα-helixtrans-58.7-47172.5-63.8169.1000111.1F386 I389 D390 K392 S396 I397 Y398F386-I394 HydrophobicContact CB-CG1 4.49Å; I389-I394 HydrophobicContact CB-CD1 3.82Å; I389-I394 HydrophobicContact CB-CG1 3.75Å; I389-I394 HydrophobicContact CG2-CD1 4.41Å; I389-I394 HydrophobicContact CG2-CG1 3.85Å; I389-I394 WeakPolarHBondContact O-CD1 3.2Å; D390-I394 WeakPolarHBondContact O-CG1 3.49Å; D390-I394 PolarHBondContact O-N 3.17Å; K392-I394 PolarHBondContact O-N 2.66Å; I394-S396 PolarHBondContact O-N 2.62Å; I394-I397 PolarHBondContact O-N 3.08Å; I394-Y398 HydrophobicContact CG2-CD1 4.48Å; I394-Y398 HydrophobicContact CG2-CD2 3.64Å; I394-Y398 HydrophobicContact CG2-CE1 4.12Å; I394-Y398 HydrophobicContact CG2-CE2 3.17Å; I394-Y398 HydrophobicContact CG2-CG 4.27Å; I394-Y398 VanDerWaalsContact CG2-CZ 3.44Å; I394-Y398 PolarHBondContact O-N 2.88Å
395S84.1Confident83.7Confident39 Ų3952.6 Ų52.627%0.27325%0.25SC..Hα-helixtrans-58.2-48.1-177.8-172.10000111.4R391 K392 L393 I397 Y398 Q399R391-S395 WeakPolarHBondContact O-CB 3.36Å; R391-S395 PolarHBondContact O-N 3.12Å; K392-S395 WeakPolarHBondContact O-CB 3.3Å; K392-S395 PolarHBondContact O-N 3.24Å; K392-S395 VanDerWaalsContact O-N 3.12Å; L393-S395 PolarHBondContact O-N 3.46Å; S395-I397 VanDerWaalsContact C-N 3.34Å; S395-I397 PolarHBondContact O-N 2.96Å; S395-Y398 PolarHBondContact O-N 2.96Å; S395-Q399 WeakPolarHBondContact O-CG 3.38Å; S395-Q399 PolarHBondContact O-N 3.4Å; S395-Q399 PolarHBondContact O-OE1 3.37Å; S395-Q399 PolarHBondContact OG-OE1 3.46Å
396S86.7Confident83.9Confident16 Ų1652.7 Ų52.711%0.11225%0.25CC..Hα-helixtrans-64.9-35.4178.3-54.70000112.5K392 I394 Q399 A400 I453 I461K392-S396 PolarHBondContact O-N 3.12Å; K392-S396 VanDerWaalsContact O-N 3.1Å; K392-S396 PolarHBondContact O-OG 3.41Å; I394-S396 PolarHBondContact O-N 2.62Å; S396-Q399 PolarHBondContact O-N 3.45Å; S396-A400 VanDerWaalsContact O-CB 3.24Å; S396-A400 WeakPolarHBondContact O-CB 3.46Å; S396-A400 PolarHBondContact O-N 2.85Å; S396-I453 WeakPolarHBondContact O-CG2 3.34Å; S396-I461 WeakPolarHBondContact OG-CD1 3.27Å
397I89.2Confident84.3Confident1 Ų156.2 Ų56.21%0.00527%0.266CS..Hα-helixtrans-61.9-46.9171.7-68.1166.1000110.8F386 L393 I394 S395 Q399 A400 L401 L406 L441 M451 I453 L473F386-I397 HydrophobicContact CE2-CG2 4.37Å; F386-I397 HydrophobicContact CZ-CG2 4.34Å; L393-I397 HydrophobicContact CG-CD1 4.32Å; L393-I397 VanDerWaalsContact O-CG1 3.28Å; L393-I397 WeakPolarHBondContact O-CG1 3.24Å; L393-I397 PolarHBondContact O-N 2.9Å; L393-I397 VanDerWaalsContact O-N 3.1Å; I394-I397 PolarHBondContact O-N 3.08Å; S395-I397 VanDerWaalsContact C-N 3.34Å; S395-I397 PolarHBondContact O-N 2.96Å; I397-Q399 VanDerWaalsContact C-N 3.35Å; I397-Q399 PolarHBondContact O-N 3.07Å; I397-A400 PolarHBondContact O-N 3.49Å; I397-L401 HydrophobicContact CG2-CD1 4.08Å; I397-L401 HydrophobicContact CG2-CG 4.28Å; I397-L401 WeakPolarHBondContact O-CB 3.46Å; I397-L401 WeakPolarHBondContact O-CG 3.27Å; I397-L401 PolarHBondContact O-N 3.17Å; I397-L406 HydrophobicContact CG2-CD1 4.34Å; I397-L441 HydrophobicContact CD1-CD1 4.24Å; I397-L441 HydrophobicContact CD1-CD2 3.71Å; I397-M451 HydrophobicContact CD1-CE 3.98Å; I397-M451 HydrophobicContact CG1-CE 4.15Å; I397-I453 HydrophobicContact CG1-CD1 3.64Å; I397-L473 HydrophobicContact CG2-CD2 4.17Å
398Y88.9Confident85.2Confident20 Ų2052.2 Ų52.28%0.07825%0.249CC..Hα-helixtrans-68.5-31.1-179.8-66.6-17.9000113.3L190 Y378 I382 F386 I394 S395 L401 P402L190-Y398 HydrophobicContact CD1-CD1 4.11Å; L190-Y398 HydrophobicContact CD1-CG 4.24Å; Y378-Y398 HydrophobicContact CE2-CD2 4.12Å; Y378-Y398 HydrophobicContact CE2-CE1 4.45Å; Y378-Y398 AromaticContact CE2-CE2 3.68Å; Y378-Y398 HydrophobicContact CE2-CE2 3.68Å; Y378-Y398 AromaticContact CE2-CZ 3.88Å; I382-Y398 HydrophobicContact CG2-CE1 3.89Å; F386-Y398 AromaticContact CD2-CE1 3.74Å; F386-Y398 HydrophobicContact CD2-CE1 3.74Å; F386-Y398 HydrophobicContact CE2-CE1 4.12Å; I394-Y398 HydrophobicContact CG2-CD1 4.48Å; I394-Y398 HydrophobicContact CG2-CD2 3.64Å; I394-Y398 HydrophobicContact CG2-CE1 4.12Å; I394-Y398 HydrophobicContact CG2-CE2 3.17Å; I394-Y398 HydrophobicContact CG2-CG 4.27Å; I394-Y398 VanDerWaalsContact CG2-CZ 3.44Å; I394-Y398 PolarHBondContact O-N 2.88Å; S395-Y398 PolarHBondContact O-N 2.96Å; Y398-L401 HydrophobicContact CD1-CD1 4.27Å; Y398-P402 WeakPolarHBondContact O-CD 3.16Å
399Q86.1Confident86.4Confident95 Ų9546.9 Ų46.944%0.44423%0.229SC..Hα-helixtrans-71.1-39.8172-71169.3-61.900111.7S395 S396 I397S395-Q399 WeakPolarHBondContact O-CG 3.38Å; S395-Q399 PolarHBondContact O-N 3.4Å; S395-Q399 PolarHBondContact O-OE1 3.37Å; S395-Q399 PolarHBondContact OG-OE1 3.46Å; S396-Q399 PolarHBondContact O-N 3.45Å; I397-Q399 VanDerWaalsContact C-N 3.35Å; I397-Q399 PolarHBondContact O-N 3.07Å
400A88.2Confident87Confident2 Ų249.9 Ų49.92%0.01725%0.25CC..Hα-helixtrans-76.2-26.9-179.300000114.1S396 I397 E403 L404 G405 L406 I453S396-A400 VanDerWaalsContact O-CB 3.24Å; S396-A400 WeakPolarHBondContact O-CB 3.46Å; S396-A400 PolarHBondContact O-N 2.85Å; I397-A400 PolarHBondContact O-N 3.49Å; A400-E403 CarbonylContact O-C 3.57Å; A400-E403 PolarHBondContact O-N 3.46Å; A400-L404 PolarHBondContact O-N 3.42Å; A400-G405 PolarHBondContact O-N 3.5Å; A400-L406 HydrophobicContact CB-CD2 3.84Å; A400-L406 HydrophobicContact CB-CG 4.19Å; A400-I453 HydrophobicContact CB-CG2 3.59Å
401L90.4Very high87.4Confident1 Ų147.9 Ų47.91%0.00524%0.239CC..THydrogen-bonded Turntrans-58-48.5-175.5-88.8173.2000114.4L190 I397 Y398 E403 L404 L406 I476 V477 F480L190-L401 HydrophobicContact CD1-CB 4.31Å; L190-L401 HydrophobicContact CD1-CD1 4.22Å; I397-L401 HydrophobicContact CG2-CD1 4.08Å; I397-L401 HydrophobicContact CG2-CG 4.28Å; I397-L401 WeakPolarHBondContact O-CB 3.46Å; I397-L401 WeakPolarHBondContact O-CG 3.27Å; I397-L401 PolarHBondContact O-N 3.17Å; Y398-L401 HydrophobicContact CD1-CD1 4.27Å; L401-E403 VanDerWaalsContact C-N 3.29Å; L401-E403 PolarHBondContact O-N 3.02Å; L401-L404 PolarHBondContact O-N 2.92Å; L401-L404 VanDerWaalsContact O-N 3.17Å; L401-L406 HydrophobicContact CD2-CD1 3.73Å; L401-L406 HydrophobicContact CG-CD1 4.08Å; L401-I476 HydrophobicContact CD1-CG2 3.69Å; L401-I476 HydrophobicContact CD2-CG2 3.8Å; L401-I476 HydrophobicContact CG-CG2 4.41Å; L401-V477 HydrophobicContact CD2-CG2 3.82Å; L401-F480 HydrophobicContact CB-CD2 4.1Å; L401-F480 HydrophobicContact CB-CE2 4.05Å; L401-F480 HydrophobicContact CB-CG 4.39Å; L401-F480 HydrophobicContact CB-CZ 4.32Å; L401-F480 HydrophobicContact CD1-CD2 4.43Å; L401-F480 HydrophobicContact CD1-CE2 4.07Å; L401-F480 HydrophobicContact CD2-CD2 3.99Å; L401-F480 HydrophobicContact CD2-CE2 4.45Å; L401-F480 HydrophobicContact CG-CD2 4.4Å; L401-F480 HydrophobicContact CG-CE2 4.43Å
402P87.6Confident87.1Confident30 Ų3046.2 Ų46.220%0.19524%0.244CC..THydrogen-bonded Turntrans-63.6-29.7176.8-24.435.7000114.2L188 Y398 F480L188-P402 HydrophobicContact CB-CB 4.23Å; L188-P402 WeakPolarHBondContact O-CG 3.39Å; Y398-P402 WeakPolarHBondContact O-CD 3.16Å; P402-F480 HydrophobicContact CG-CE1 4.11Å
403E86Confident86.2Confident107 Ų10743.5 Ų43.550%0.524%0.243SC..THydrogen-bonded Turntrans-88.2-0.6176.9-64-164.917600113.9A400 L401 G405 R454A400-E403 CarbonylContact O-C 3.57Å; A400-E403 PolarHBondContact O-N 3.46Å; L401-E403 VanDerWaalsContact C-N 3.29Å; L401-E403 PolarHBondContact O-N 3.02Å; E403-G405 PolarHBondContact O-N 2.87Å; E403-R454 IonicContact OE2-NH1 3.36Å
404L88.7Confident84.6Confident46 Ų4651 Ų5124%0.24128%0.278CS..THydrogen-bonded Turntrans52.838.1-169.4-53174.8000112A400 L401 L406 R454 F480 Q481A400-L404 PolarHBondContact O-N 3.42Å; L401-L404 PolarHBondContact O-N 2.92Å; L401-L404 VanDerWaalsContact O-N 3.17Å; L404-L406 PolarHBondContact O-N 3.19Å; L404-R454 PolarHBondContact O-NH2 3.04Å; L404-F480 HydrophobicContact CD2-CB 3.89Å; L404-Q481 HydrophobicContact CD1-CG 3.9Å; L404-Q481 HydrophobicContact CD2-CG 3.8Å
405G87.5Confident82.7Confident2 Ų257.9 Ų57.92%0.02131%0.314CS..  trans-79.823.1-177.800000115.8A400 E403 R454A400-G405 PolarHBondContact O-N 3.5Å; E403-G405 PolarHBondContact O-N 2.87Å; G405-R454 PolarHBondContact O-N 2.82Å
406L91.2Very high80.3Confident4 Ų459 Ų592%0.02133%0.333CS..EExtended strand (participates in β ladder)trans-111.9121.6179.8-60178.6000110.2I301 I397 A400 L401 L404 M451 I453 L473 V477I301-L406 VanDerWaalsContact CD1-O 3.27Å; I301-L406 WeakPolarHBondContact CD1-O 3.45Å; I397-L406 HydrophobicContact CG2-CD1 4.34Å; A400-L406 HydrophobicContact CB-CD2 3.84Å; A400-L406 HydrophobicContact CB-CG 4.19Å; L401-L406 HydrophobicContact CD2-CD1 3.73Å; L401-L406 HydrophobicContact CG-CD1 4.08Å; L404-L406 PolarHBondContact O-N 3.19Å; L406-M451 HydrophobicContact CD2-SD 4.21Å; L406-I453 HydrophobicContact CD2-CB 4.22Å; L406-I453 HydrophobicContact CD2-CG1 3.82Å; L406-I453 HydrophobicContact CD2-CG2 3.94Å; L406-L473 HydrophobicContact CD1-CD2 4.07Å; L406-V477 HydrophobicContact CD1-CG2 3.91Å
407E90.3Very high77.7Confident80 Ų8061.9 Ų61.937%0.37436%0.364SS..EExtended strand (participates in β ladder)trans-107.1130.1170.4-169.7-160.3145.500108.1T409 M451 K452E407-T409 HydrophobicContact CG-CG2 4.48Å; E407-T409 WeakPolarHBondContact OE1-CG2 3.41Å; E407-M451 CarbonylContact O-C 3.47Å; E407-M451 VanDerWaalsContact O-CA 3.24Å; E407-M451 WeakPolarHBondContact O-CA 3.39Å; E407-K452 HydrophobicContact CB-CB 4.26Å; E407-K452 PolarHBondContact N-O 3.28Å; E407-K452 PolarHBondContact O-N 3.08Å; E407-K452 IonicContact OE2-NZ 2.76Å; E407-K452 PolarHBondContact OE2-NZ 3.02Å
408I91.6Very high74.8Confident36 Ų3664.2 Ų64.219%0.18539%0.388CS..EExtended strand (participates in β ladder)trans-125.4119.3175.9-57.7173.7000108.9F449 R450 M451 I465 R470 L473 V474I408-F449 HydrophobicContact CG2-CB 3.89Å; I408-F449 HydrophobicContact CG2-CD1 4.2Å; I408-F449 HydrophobicContact CG2-CG 4.27Å; I408-R450 WeakPolarHBondContact CA-O 3.28Å; I408-M451 HydrophobicContact CG1-CB 4.23Å; I408-M451 HydrophobicContact CG1-CG 3.97Å; I408-M451 HydrophobicContact CG1-SD 4.44Å; I408-I465 HydrophobicContact CD1-CD1 4.2Å; I408-I465 HydrophobicContact CG1-CD1 4.43Å; I408-I465 HydrophobicContact CG2-CD1 4.18Å; I408-R470 HydrophobicContact CG2-CG 4.04Å; I408-L473 HydrophobicContact CD1-CB 3.95Å; I408-L473 HydrophobicContact CD1-CD1 4.17Å; I408-V474 HydrophobicContact CD1-CG2 4.35Å
409T89.8Confident72.3Confident46 Ų4671.1 Ų71.128%0.28243%0.426SS..EExtended strand (participates in β ladder)trans-120.5149178.645.90000110.7E407 F449 R450E407-T409 HydrophobicContact CG-CG2 4.48Å; E407-T409 WeakPolarHBondContact OE1-CG2 3.41Å; T409-F449 CarbonylContact O-C 3.6Å; T409-F449 WeakPolarHBondContact O-CA 3.23Å; T409-F449 WeakPolarHBondContact O-CB 3.3Å; T409-R450 PolarHBondContact N-O 3.32Å; T409-R450 PolarHBondContact O-N 3.49Å
410P88.6Confident69.8Low85 Ų8572.2 Ų72.255%0.55244%0.443SS*.EExtended strand (participates in β ladder)trans-66.8143.5173.829.1-34.2000110.4T412 F449P410-T412 PolarHBondContact O-N 2.58Å; P410-T412 VanDerWaalsContact O-N 3.12Å; P410-F449 HydrophobicContact CB-CD1 4.31Å; P410-F449 HydrophobicContact CB-CE1 4.42Å
411I85.3Confident67.1Low53 Ų5382 Ų8227%0.27248%0.479SS..  trans-7797.8165.2-63.3169.2000106.4P413 A447 A448 R450 K464I411-P413 WeakPolarHBondContact O-CD 3.29Å; I411-A447 HydrophobicContact CD1-CB 4.17Å; I411-A448 PolarHBondContact N-O 3.33Å; I411-R450 HydrophobicContact CG1-CB 4.28Å; I411-K464 HydrophobicContact CD1-CB 4.32Å; I411-K464 HydrophobicContact CD1-CD 4.17Å; I411-K464 HydrophobicContact CD1-CG 4.17Å
412T73.3Confident64.6Low106 Ų10685.8 Ų85.865%0.6551%0.505SS*.  trans-61.3119.316448.20000107.9P410 E414P410-T412 PolarHBondContact O-N 2.58Å; P410-T412 VanDerWaalsContact O-N 3.12Å; T412-E414 PolarHBondContact O-N 3.04Å
413P63.3Low62.2Low105 Ų10591.1 Ų91.168%0.68253%0.532SS*.  trans-62.3123.6169.827.2-32.7000107.4I411 L415I411-P413 WeakPolarHBondContact O-CD 3.29Å; P413-L415 PolarHBondContact O-N 2.9Å
414E53Low60.4Low173 Ų17391.8 Ų91.881%0.80854%0.539SS*.  trans-65.6111.2-179.4-69176.3-155.100109.4T412 G416T412-E414 PolarHBondContact O-N 3.04Å; E414-G416 PolarHBondContact O-N 3.33Å
415L46.3Very low58.5Low168 Ų16896 Ų9688%0.8857%0.567SS**THydrogen-bonded Turntrans-70.231.3159.3-81.479.2000111.3P413 G417P413-L415 PolarHBondContact O-N 2.9Å; L415-G417 VanDerWaalsContact C-N 3.32Å
416G34.6Very low56.6Low64 Ų64103.2 Ų103.266%0.6661%0.605SS**THydrogen-bonded Turntrans-85.8-1.8167.200000113.1E414 G418E414-G416 PolarHBondContact O-N 3.33Å; G416-G418 PolarHBondContact O-N 3.17Å
417G31.2Very low53.9Low75 Ų75107.4 Ų107.477%0.77365%0.649SS**SBendtrans-66.960.9157.700000111.2L415L415-G417 VanDerWaalsContact C-N 3.32Å
418G29.7Very low51.5Low50 Ų50106.4 Ų106.452%0.51566%0.66SS.*  trans-57.7142.2-177.600000110.8G416 C420G416-G418 PolarHBondContact O-N 3.17Å; G418-C420 PolarHBondContact O-N 3.43Å
419L34.6Very low49.2Very low166 Ų166112 Ų11287%0.86969%0.69SS**  trans-74.957.7178.1-163.279.4000111.1R421L419-R421 PolarHBondContact O-N 2.98Å
420C34.6Very low47.3Very low118 Ų118118.6 Ų118.680%0.79772%0.715SS**  trans-61.591.7162.6-69.70000107.7G418 S422G418-C420 PolarHBondContact O-N 3.43Å; C420-S422 PolarHBondContact O-N 2.95Å
421R31.8Very low45.4Very low208 Ų208120.1 Ų120.179%0.78572%0.723SS**  trans-55.692.5151.8-75.3-175.4170.7-151.4-0.3106.8L419 N423L419-R421 PolarHBondContact O-N 2.98Å; R421-N423 PolarHBondContact O-N 3.36Å; R421-N423 VanDerWaalsContact O-N 3.12Å
422S37.4Very low43.9Very low79 Ų79123.8 Ų123.855%0.55275%0.747SS**  trans-63.9115.3161.8-152.70000105.6C420 D424C420-S422 PolarHBondContact O-N 2.95Å; S422-D424 VanDerWaalsContact CB-OD2 3.3Å; S422-D424 WeakPolarHBondContact CB-OD2 3.36Å; S422-D424 PolarHBondContact O-N 3.14Å; S422-D424 PolarHBondContact OG-OD2 3.09Å
423N38.1Very low42.5Very low142 Ų142127.9 Ų127.976%0.75976%0.756SS**  trans-76.639.3172.3-71-26.7000110.1R421 V425R421-N423 PolarHBondContact O-N 3.36Å; R421-N423 VanDerWaalsContact O-N 3.12Å; N423-V425 PolarHBondContact O-N 3.5Å
424D47.2Very low42.1Very low121 Ų121128.5 Ų128.565%0.64776%0.758SS**  trans-71.295.6169.4-72.6-40.8000107.6S422 N426S422-D424 VanDerWaalsContact CB-OD2 3.3Å; S422-D424 WeakPolarHBondContact CB-OD2 3.36Å; S422-D424 PolarHBondContact O-N 3.14Å; S422-D424 PolarHBondContact OG-OD2 3.09Å; D424-N426 PolarHBondContact O-N 3.41Å
425V48.5Very low42.3Very low134 Ų134125.1 Ų125.181%0.81275%0.753SS**  trans-70.375.5168.6-176.90000108.4N423N423-V425 PolarHBondContact O-N 3.5Å
426N46.9Very low43.2Very low155 Ų155124.9 Ų124.983%0.82974%0.741SS**SBendtrans-170.5125.1159.8-91.2-44.5000109.6D424D424-N426 PolarHBondContact O-N 3.41Å
427G35.5Very low45.3Very low91 Ų91126.2 Ų126.294%0.93873%0.73SS**  trans-70.2137.7-173.200000114.1
428G40.2Very low47.9Very low59 Ų59129.2 Ų129.261%0.60872%0.719SS**  trans-170.4105172.200000111.5K430G428-K430 PolarHBondContact O-N 3.03Å
429D42.2Very low50.6Low153 Ų153126.9 Ų126.982%0.81869%0.694SS**  trans-69.992.4-177.6-176.112000111.6T431D429-T431 PolarHBondContact O-N 3.32Å
430K51.6Low53.1Low186 Ų186121.5 Ų121.581%0.80967%0.671SS**  trans-93.781.4179.2-72.8175.7-178.4169.40110.2G428 V432G428-K430 PolarHBondContact O-N 3.03Å; K430-V432 PolarHBondContact O-N 2.71Å; K430-V432 VanDerWaalsContact O-N 3.09Å
431T48.8Very low55.5Low116 Ų116116.1 Ų116.171%0.71263%0.634SS**  trans-55.1113.3169.445.20000110.9D429 K433D429-T431 PolarHBondContact O-N 3.32Å; T431-K433 PolarHBondContact O-N 2.98Å; T431-K433 VanDerWaalsContact O-N 3.11Å
432V52.2Low58.1Low130 Ų130107.5 Ų107.579%0.78860%0.603SS**  trans-69.9109.5-178.6178.40000109.3K430 V434K430-V432 PolarHBondContact O-N 2.71Å; K430-V432 VanDerWaalsContact O-N 3.09Å; V432-V434 PolarHBondContact O-N 3.35Å
433K45.5Very low60.1Low192 Ų192108.2 Ų108.284%0.83561%0.606SS**  trans-66.796.8170.3-89.2-174.6173.6178.10110T431 S435T431-K433 PolarHBondContact O-N 2.98Å; T431-K433 VanDerWaalsContact O-N 3.11Å; K433-S435 PolarHBondContact O-N 3.29Å
434V53.4Low62.2Low119 Ų119107.5 Ų107.572%0.72160%0.596SS**  trans-59.7109.3164.8-179.30000108V432 R436V432-V434 PolarHBondContact O-N 3.35Å; V434-R436 PolarHBondContact O-N 3.08Å; V434-R436 VanDerWaalsContact O-N 3.1Å
435S56.9Low64Low102 Ų102105.1 Ų105.171%0.71358%0.578SS**  trans-76.397.4179.4-66.60000109K433 E437K433-S435 PolarHBondContact O-N 3.29Å; S435-E437 PolarHBondContact O-N 3.09Å
436R66Low65.8Low162 Ų162103.3 Ų103.361%0.61156%0.561SS**PPolyproline II helixtrans-65.5118.8177.4-62.2-167.3175160.81110.2V434 Y438 E446V434-R436 PolarHBondContact O-N 3.08Å; V434-R436 VanDerWaalsContact O-N 3.1Å; R436-Y438 HydrophobicContact CB-CE2 4.47Å; R436-Y438 WeakPolarHBondContact O-CD2 3.5Å; R436-Y438 WeakPolarHBondContact O-CE2 3.47Å; R436-E446 WeakPolarHBondContact CB-OE1 3.42Å; R436-E446 VanDerWaalsContact CD-OE1 3.22Å; R436-E446 WeakPolarHBondContact CD-OE1 3.41Å; R436-E446 WeakPolarHBondContact CG-OE1 3.37Å; R436-E446 IonicContact NE-OE1 3.08Å
437E79.7Confident67.8Low93 Ų9396.8 Ų96.844%0.43553%0.529SS..PPolyproline II helixtrans-91.8135.6177.7-64.6-178.1113.200110.3S435 A447 K464S435-E437 PolarHBondContact O-N 3.09Å; E437-A447 PolarHBondContact O-N 3.12Å; E437-K464 HydrophobicContact CB-CD 4.44Å; E437-K464 IonicContact OE1-NZ 2.62Å; E437-K464 PolarHBondContact OE1-NZ 3.35Å; E437-K464 VanDerWaalsContact OE2-CD 3.3Å; E437-K464 WeakPolarHBondContact OE2-CD 3.49Å; E437-K464 WeakPolarHBondContact OE2-CE 3.22Å; E437-K464 IonicContact OE2-NZ 3.57Å; E437-K464 PolarHBondContact OE2-NZ 3.04Å
438Y84.9Confident70.2Confident137 Ų13794.6 Ų94.654%0.53750%0.502SS..EExtended strand (participates in β ladder)trans-100.8148.1-175.4-68.4-87.6000111.6R436 S440 P443R436-Y438 HydrophobicContact CB-CE2 4.47Å; R436-Y438 WeakPolarHBondContact O-CD2 3.5Å; R436-Y438 WeakPolarHBondContact O-CE2 3.47Å; Y438-S440 PolarHBondContact O-N 2.75Å; Y438-P443 VanDerWaalsContact CD1-O 3.26Å; Y438-P443 WeakPolarHBondContact CD1-O 3.27Å
439C87.5Confident72.7Confident1 Ų193.8 Ų93.81%0.00748%0.482CS..EExtended strand (participates in β ladder)trans-64.3121.4-178.6172.60000112.1L441 M442 P443 Y445 K464 I465 S466 A469C439-L441 PolarHBondContact O-N 3.22Å; C439-L441 VanDerWaalsContact O-N 3.1Å; C439-L441 PolarHBondContact SG-N 3.32Å; C439-L441 VanDerWaalsContact SG-N 3.45Å; C439-M442 HydrophobicContact CB-CB 4.37Å; C439-M442 CarbonylContact O-C 3.56Å; C439-M442 VanDerWaalsContact O-C 3.23Å; C439-M442 PolarHBondContact O-N 2.74Å; C439-M442 PolarHBondContact SG-N 2.97Å; C439-P443 WeakPolarHBondContact O-CA 3.27Å; C439-Y445 WeakPolarHBondContact CB-O 3.33Å; C439-Y445 PolarHBondContact N-O 2.95Å; C439-K464 CarbonylContact C-O 3.53Å; C439-K464 WeakPolarHBondContact CA-O 3.45Å; C439-I465 VanDerWaalsContact SG-CA 3.55Å; C439-S466 PolarHBondContact SG-N 3.34Å; C439-S466 PolarHBondContact SG-OG 3.03Å; C439-S466 VanDerWaalsContact SG-OG 3.33Å; C439-A469 VanDerWaalsContact SG-CB 3.56Å
440S86.7Confident75Confident53 Ų5390.9 Ų90.937%0.37146%0.459SS..THydrogen-bonded Turntrans-59.2-22.9178.1-49.50000113.6Y438 K464Y438-S440 PolarHBondContact O-N 2.75Å; S440-K464 PolarHBondContact N-O 3Å; S440-K464 PolarHBondContact OG-O 2.87Å
441L85.4Confident77Confident5 Ų582 Ų823%0.02642%0.421CS..THydrogen-bonded Turntrans-97-20.1177.7-58.3-177.7000113.6F386 I389 L393 I397 C439 M451 I465 A469 L473F386-L441 HydrophobicContact CE1-CD1 4.49Å; I389-L441 HydrophobicContact CD1-CB 3.81Å; I389-L441 HydrophobicContact CD1-CD2 3.99Å; I389-L441 HydrophobicContact CD1-CG 4.46Å; I389-L441 WeakPolarHBondContact CD1-O 3.39Å; I389-L441 WeakPolarHBondContact CG1-O 3.33Å; I389-L441 HydrophobicContact CG2-CD2 3.73Å; L393-L441 HydrophobicContact CD2-CD2 3.5Å; L393-L441 VanDerWaalsContact CD2-CD2 3.5Å; L393-L441 HydrophobicContact CD2-CG 4.47Å; L393-L441 HydrophobicContact CG-CD2 3.88Å; I397-L441 HydrophobicContact CD1-CD1 4.24Å; I397-L441 HydrophobicContact CD1-CD2 3.71Å; C439-L441 PolarHBondContact O-N 3.22Å; C439-L441 VanDerWaalsContact O-N 3.1Å; C439-L441 PolarHBondContact SG-N 3.32Å; C439-L441 VanDerWaalsContact SG-N 3.45Å; L441-M451 HydrophobicContact CD1-CE 4.06Å; L441-I465 HydrophobicContact CD1-CG2 3.83Å; L441-I465 HydrophobicContact CG-CG2 3.99Å; L441-A469 HydrophobicContact CB-CB 4.11Å; L441-A469 HydrophobicContact CD1-CB 4.33Å; L441-L473 HydrophobicContact CD1-CD1 3.57Å; L441-L473 HydrophobicContact CD1-CG 4.32Å
442M84.9Confident79Confident27 Ų2779.3 Ų79.313%0.13340%0.399CS..EExtended strand (participates in β ladder)trans-149.973.9-175.1-61.3-175.572.800109.6C439 K444 Y445 P468 A469C439-M442 HydrophobicContact CB-CB 4.37Å; C439-M442 CarbonylContact O-C 3.56Å; C439-M442 VanDerWaalsContact O-C 3.23Å; C439-M442 PolarHBondContact O-N 2.74Å; C439-M442 PolarHBondContact SG-N 2.97Å; M442-K444 PolarHBondContact O-N 2.98Å; M442-Y445 HydrophobicContact CB-CD2 3.83Å; M442-Y445 HydrophobicContact CB-CE2 4.45Å; M442-Y445 HydrophobicContact CE-CD2 4.14Å; M442-Y445 HydrophobicContact CE-CE2 3.67Å; M442-Y445 PolarHBondContact O-N 2.94Å; M442-P468 HydrophobicContact CE-CB 4.34Å; M442-P468 HydrophobicContact SD-CB 4.13Å; M442-A469 HydrophobicContact CG-CB 4.08Å; M442-A469 HydrophobicContact SD-CB 3.86Å
443P80.8Confident80.8Confident94 Ų9473.1 Ų73.161%0.6136%0.362SS*.EExtended strand (participates in β ladder)trans-60.9-8.9-167.2-27.736.7000116.6Y438 C439 Y445Y438-P443 VanDerWaalsContact CD1-O 3.26Å; Y438-P443 WeakPolarHBondContact CD1-O 3.27Å; C439-P443 WeakPolarHBondContact O-CA 3.27Å; P443-Y445 PolarHBondContact O-N 3.42Å
444K81.7Confident82.6Confident128 Ų12869.4 Ų69.456%0.55734%0.342SS*.EExtended strand (participates in β ladder)trans-76.1-7.5171.8-59.7-173.4-177.1179.90113.9A131 S133 M442A131-K444 WeakPolarHBondContact O-CD 3.3Å; A131-K444 PolarHBondContact O-NZ 3.03Å; A131-K444 VanDerWaalsContact O-NZ 3.15Å; S133-K444 PolarHBondContact O-NZ 3.24Å; M442-K444 PolarHBondContact O-N 2.98Å
445Y84.6Confident83.4Confident70 Ų7064.8 Ų64.828%0.27532%0.315SS..EExtended strand (participates in β ladder)trans-123141.4-173.3-62.1-99.3000111.4A131 C439 M442 P443 S466 P468A131-Y445 HydrophobicContact CB-CE1 4.38Å; C439-Y445 WeakPolarHBondContact CB-O 3.33Å; C439-Y445 PolarHBondContact N-O 2.95Å; M442-Y445 HydrophobicContact CB-CD2 3.83Å; M442-Y445 HydrophobicContact CB-CE2 4.45Å; M442-Y445 HydrophobicContact CE-CD2 4.14Å; M442-Y445 HydrophobicContact CE-CE2 3.67Å; M442-Y445 PolarHBondContact O-N 2.94Å; P443-Y445 PolarHBondContact O-N 3.42Å; Y445-S466 VanDerWaalsContact CB-CB 3.49Å; Y445-P468 HydrophobicContact CD1-CG 4Å; Y445-P468 HydrophobicContact CE1-CG 3.94Å
446E86.3Confident83.8Confident96 Ų9664.3 Ų64.345%0.44931%0.31SS..EExtended strand (participates in β ladder)trans-67.6142.9173.1-169.8158.1-158.700110.8R436 S466R436-E446 WeakPolarHBondContact CB-OE1 3.42Å; R436-E446 VanDerWaalsContact CD-OE1 3.22Å; R436-E446 WeakPolarHBondContact CD-OE1 3.41Å; R436-E446 WeakPolarHBondContact CG-OE1 3.37Å; R436-E446 IonicContact NE-OE1 3.08Å; E446-S466 WeakPolarHBondContact O-CA 3.31Å; E446-S466 WeakPolarHBondContact O-CB 3.47Å
447A88.7Confident83.8Confident19 Ų1962.2 Ų62.216%0.15731%0.311CS..  trans-82138.2-179.700000111.6I411 E437 K464 I465I411-A447 HydrophobicContact CD1-CB 4.17Å; E437-A447 PolarHBondContact O-N 3.12Å; A447-K464 HydrophobicContact CB-CB 3.76Å; A447-I465 WeakPolarHBondContact CA-O 3.43Å
448A87Confident82.8Confident45 Ų4563 Ų6337%0.37233%0.326SS..  trans-129.8-9.517800000112.7I411 I465I411-A448 PolarHBondContact N-O 3.33Å; A448-I465 PolarHBondContact N-O 3.35Å
449F91.1Very high82.1Confident41 Ų4162.4 Ų62.418%0.1833%0.332CS..EExtended strand (participates in β ladder)trans-133.9151179.6-56.4-92.5000110.1I408 T409 P410 I465 L467 R470I408-F449 HydrophobicContact CG2-CB 3.89Å; I408-F449 HydrophobicContact CG2-CD1 4.2Å; I408-F449 HydrophobicContact CG2-CG 4.27Å; T409-F449 CarbonylContact O-C 3.6Å; T409-F449 WeakPolarHBondContact O-CA 3.23Å; T409-F449 WeakPolarHBondContact O-CB 3.3Å; P410-F449 HydrophobicContact CB-CD1 4.31Å; P410-F449 HydrophobicContact CB-CE1 4.42Å; F449-I465 HydrophobicContact CB-CD1 4.44Å; F449-I465 HydrophobicContact CB-CG1 3.8Å; F449-I465 PolarHBondContact N-O 2.99Å; F449-I465 PolarHBondContact O-N 2.78Å; F449-L467 HydrophobicContact CE2-CB 4.05Å; F449-L467 HydrophobicContact CE2-CD1 3.77Å; F449-L467 HydrophobicContact CZ-CD1 4.03Å; F449-R470 HydrophobicContact CD1-CG 4.31Å; F449-R470 HydrophobicContact CD2-CB 3.86Å; F449-R470 HydrophobicContact CD2-CG 4.08Å; F449-R470 HydrophobicContact CE1-CG 4.39Å; F449-R470 HydrophobicContact CE2-CB 4.17Å; F449-R470 HydrophobicContact CE2-CG 4.17Å; F449-R470 HydrophobicContact CG-CB 4.26Å; F449-R470 HydrophobicContact CG-CG 4.17Å; F449-R470 HydrophobicContact CZ-CG 4.32Å
450R92Very high81.8Confident92 Ų9268.2 Ų68.235%0.34736%0.36SS..EExtended strand (participates in β ladder)trans-100.1133.7168.8-175-172.5-74.1-94.714.5107.5I408 T409 I411 D462I408-R450 WeakPolarHBondContact CA-O 3.28Å; T409-R450 PolarHBondContact N-O 3.32Å; T409-R450 PolarHBondContact O-N 3.49Å; I411-R450 HydrophobicContact CG1-CB 4.28Å; R450-D462 WeakPolarHBondContact CD-OD1 3.37Å; R450-D462 WeakPolarHBondContact CD-OD2 3.2Å; R450-D462 WeakPolarHBondContact CG-OD1 3.49Å; R450-D462 IonicContact CZ-OD1 2.6Å; R450-D462 IonicContact CZ-OD2 3.89Å; R450-D462 IonicContact NE-OD1 2.99Å; R450-D462 IonicContact NE-OD2 2.97Å; R450-D462 IonicContact NH1-OD1 2.66Å; R450-D462 PolarHBondContact NH1-OD1 3.45Å; R450-D462 IonicContact NH1-OD2 2.74Å; R450-D462 PolarHBondContact NH1-OD2 3.41Å
451M92.1Very high81.7Confident0 Ų068.5 Ų68.50%036%0.356CS..EExtended strand (participates in β ladder)trans-118.6123.8173.1-179.9179.968.100109.6I397 L406 E407 I408 L441 I453 C463 I465 L473I397-M451 HydrophobicContact CD1-CE 3.98Å; I397-M451 HydrophobicContact CG1-CE 4.15Å; L406-M451 HydrophobicContact CD2-SD 4.21Å; E407-M451 CarbonylContact O-C 3.47Å; E407-M451 VanDerWaalsContact O-CA 3.24Å; E407-M451 WeakPolarHBondContact O-CA 3.39Å; I408-M451 HydrophobicContact CG1-CB 4.23Å; I408-M451 HydrophobicContact CG1-CG 3.97Å; I408-M451 HydrophobicContact CG1-SD 4.44Å; L441-M451 HydrophobicContact CD1-CE 4.06Å; M451-I453 HydrophobicContact CE-CD1 4.01Å; M451-I453 HydrophobicContact CE-CG1 4.03Å; M451-C463 WeakPolarHBondContact CE-SG 3.45Å; M451-C463 PolarHBondContact N-O 3.43Å; M451-C463 PolarHBondContact O-N 3.1Å; M451-C463 PolarHBondContact O-SG 2.66Å; M451-I465 HydrophobicContact CB-CD1 3.98Å; M451-I465 HydrophobicContact CB-CG1 4.37Å; M451-I465 HydrophobicContact CB-CG2 4.18Å; M451-I465 HydrophobicContact CE-CG2 4.37Å; M451-L473 HydrophobicContact CE-CD1 4.25Å; M451-L473 HydrophobicContact SD-CD1 3.47Å; M451-L473 WeakPolarHBondContact SD-CD1 3.45Å; M451-L473 HydrophobicContact SD-CD2 4.05Å; M451-L473 HydrophobicContact SD-CG 4.4Å
452K91.7Very high81.9Confident60 Ų6071.7 Ų71.726%0.26137%0.373SS..EExtended strand (participates in β ladder)trans-99138.8166.3-57.9-176.6-167.5160.60110.2E407 I461 D462E407-K452 HydrophobicContact CB-CB 4.26Å; E407-K452 PolarHBondContact N-O 3.28Å; E407-K452 PolarHBondContact O-N 3.08Å; E407-K452 IonicContact OE2-NZ 2.76Å; E407-K452 PolarHBondContact OE2-NZ 3.02Å; K452-I461 CarbonylContact C-O 3.58Å; K452-I461 WeakPolarHBondContact CA-O 3.23Å; K452-D462 HydrophobicContact CG-CB 4.45Å
453I89.7Confident82.1Confident0 Ų071 Ų710%037%0.371CS..EExtended strand (participates in β ladder)trans-111110.6172.4-49174.9000107.8L393 S396 I397 A400 L406 M451 S455 E460 I461L393-I453 HydrophobicContact CD1-CD1 3.53Å; S396-I453 WeakPolarHBondContact O-CG2 3.34Å; I397-I453 HydrophobicContact CG1-CD1 3.64Å; A400-I453 HydrophobicContact CB-CG2 3.59Å; L406-I453 HydrophobicContact CD2-CB 4.22Å; L406-I453 HydrophobicContact CD2-CG1 3.82Å; L406-I453 HydrophobicContact CD2-CG2 3.94Å; M451-I453 HydrophobicContact CE-CD1 4.01Å; M451-I453 HydrophobicContact CE-CG1 4.03Å; I453-S455 PolarHBondContact O-N 2.8Å; I453-E460 WeakPolarHBondContact O-CA 3.32Å; I453-I461 HydrophobicContact CB-CB 4.21Å; I453-I461 HydrophobicContact CD1-CB 4.38Å; I453-I461 HydrophobicContact CD1-CG2 4.44Å; I453-I461 PolarHBondContact N-O 2.94Å; I453-I461 PolarHBondContact O-N 2.91Å
454R84.5Confident82.6Confident114 Ų11469 Ų6943%0.4335%0.353SS..  trans-81.799.9172.7175.4173.650.368.3-5.5108.8E403 L404 G405E403-R454 IonicContact OE2-NH1 3.36Å; L404-R454 PolarHBondContact O-NH2 3.04Å; G405-R454 PolarHBondContact O-N 2.82Å
455S69.9Low83Confident22 Ų2263 Ų6315%0.15433%0.327CS..  trans-84.3150.2169-50.10000110.1I453 D457I453-S455 PolarHBondContact O-N 2.8Å; S455-D457 PolarHBondContact O-N 2.75Å
456P65.3Low83.3Confident92 Ų9259.7 Ų59.760%0.59731%0.314SS*.THydrogen-bonded Turntrans-62.5-31.317424.8-33.7000112.5S458P456-S458 PolarHBondContact O-N 2.83Å
457D65.7Low83.5Confident118 Ų11859.3 Ų59.363%0.63131%0.314SS*.THydrogen-bonded Turntrans-79.935.7-177.7-53.5-47.9000114.1S455 N459S455-D457 PolarHBondContact O-N 2.75Å; D457-N459 PolarHBondContact O-N 2.82Å
458S59.2Low83.5Confident108 Ų10860.1 Ų60.176%0.75532%0.318SS*.SBendtrans53.7-10.9173.767.70000119.8P456 E460P456-S458 PolarHBondContact O-N 2.83Å; S458-E460 PolarHBondContact O-N 3.1Å
459N69.4Low83.7Confident125 Ų12558.1 Ų58.167%0.66830%0.301SS*.  trans-79.994.5171.7-70.6-54.5000110.4D457 I461D457-N459 PolarHBondContact O-N 2.82Å; N459-I461 PolarHBondContact O-N 3.12Å
460E81Confident83.7Confident124 Ų12459.4 Ų59.458%0.57931%0.305SS*.  trans-66.8124.9167.6-67.4-169.9176.700110.4I453 S458I453-E460 WeakPolarHBondContact O-CA 3.32Å; S458-E460 PolarHBondContact O-N 3.1Å
461I85.5Confident83.7Confident58 Ų5855.7 Ų55.730%0.29729%0.292SS..EExtended strand (participates in β ladder)trans-97.7108.2175.5-58.3174.9000108.5L393 S396 K452 I453 N459L393-I461 HydrophobicContact CD1-CG2 4.06Å; S396-I461 WeakPolarHBondContact OG-CD1 3.27Å; K452-I461 CarbonylContact C-O 3.58Å; K452-I461 WeakPolarHBondContact CA-O 3.23Å; I453-I461 HydrophobicContact CB-CB 4.21Å; I453-I461 HydrophobicContact CD1-CB 4.38Å; I453-I461 HydrophobicContact CD1-CG2 4.44Å; I453-I461 PolarHBondContact N-O 2.94Å; I453-I461 PolarHBondContact O-N 2.91Å; N459-I461 PolarHBondContact O-N 3.12Å
462D88.2Confident83.7Confident73 Ų7358 Ų5839%0.3930%0.301SS..EExtended strand (participates in β ladder)trans-94.4123.9173.3-168.9-34.6000109.7R450 K452R450-D462 WeakPolarHBondContact CD-OD1 3.37Å; R450-D462 WeakPolarHBondContact CD-OD2 3.2Å; R450-D462 WeakPolarHBondContact CG-OD1 3.49Å; R450-D462 IonicContact CZ-OD1 2.6Å; R450-D462 IonicContact CZ-OD2 3.89Å; R450-D462 IonicContact NE-OD1 2.99Å; R450-D462 IonicContact NE-OD2 2.97Å; R450-D462 IonicContact NH1-OD1 2.66Å; R450-D462 PolarHBondContact NH1-OD1 3.45Å; R450-D462 IonicContact NH1-OD2 2.74Å; R450-D462 PolarHBondContact NH1-OD2 3.41Å; K452-D462 HydrophobicContact CG-CB 4.45Å
463C89.8Confident83.7Confident13 Ų1355.1 Ų55.19%0.08829%0.289CS..EExtended strand (participates in β ladder)trans-143161-178.567.60000111.8M451M451-C463 WeakPolarHBondContact CE-SG 3.45Å; M451-C463 PolarHBondContact N-O 3.43Å; M451-C463 PolarHBondContact O-N 3.1Å; M451-C463 PolarHBondContact O-SG 2.66Å
464K90.6Very high83.8Confident52 Ų5256.5 Ų56.523%0.22630%0.297CS..EExtended strand (participates in β ladder)trans-107.2131.4-174.5-64.2-176.8178.3179.30110.1I411 E437 C439 S440 A447I411-K464 HydrophobicContact CD1-CB 4.32Å; I411-K464 HydrophobicContact CD1-CD 4.17Å; I411-K464 HydrophobicContact CD1-CG 4.17Å; E437-K464 HydrophobicContact CB-CD 4.44Å; E437-K464 IonicContact OE1-NZ 2.62Å; E437-K464 PolarHBondContact OE1-NZ 3.35Å; E437-K464 VanDerWaalsContact OE2-CD 3.3Å; E437-K464 WeakPolarHBondContact OE2-CD 3.49Å; E437-K464 WeakPolarHBondContact OE2-CE 3.22Å; E437-K464 IonicContact OE2-NZ 3.57Å; E437-K464 PolarHBondContact OE2-NZ 3.04Å; C439-K464 CarbonylContact C-O 3.53Å; C439-K464 WeakPolarHBondContact CA-O 3.45Å; S440-K464 PolarHBondContact N-O 3Å; S440-K464 PolarHBondContact OG-O 2.87Å; A447-K464 HydrophobicContact CB-CB 3.76Å
465I91.6Very high84.2Confident0 Ų051.1 Ų51.10%028%0.277CS..EExtended strand (participates in β ladder)trans-130150.9-172.972.1171.7000112.8I408 C439 L441 A447 A448 F449 M451 A469 R470 L473I408-I465 HydrophobicContact CD1-CD1 4.2Å; I408-I465 HydrophobicContact CG1-CD1 4.43Å; I408-I465 HydrophobicContact CG2-CD1 4.18Å; C439-I465 VanDerWaalsContact SG-CA 3.55Å; L441-I465 HydrophobicContact CD1-CG2 3.83Å; L441-I465 HydrophobicContact CG-CG2 3.99Å; A447-I465 WeakPolarHBondContact CA-O 3.43Å; A448-I465 PolarHBondContact N-O 3.35Å; F449-I465 HydrophobicContact CB-CD1 4.44Å; F449-I465 HydrophobicContact CB-CG1 3.8Å; F449-I465 PolarHBondContact N-O 2.99Å; F449-I465 PolarHBondContact O-N 2.78Å; M451-I465 HydrophobicContact CB-CD1 3.98Å; M451-I465 HydrophobicContact CB-CG1 4.37Å; M451-I465 HydrophobicContact CB-CG2 4.18Å; M451-I465 HydrophobicContact CE-CG2 4.37Å; I465-A469 HydrophobicContact CB-CB 4.16Å; I465-R470 HydrophobicContact CD1-CB 3.92Å; I465-R470 HydrophobicContact CG1-CB 4.47Å; I465-L473 HydrophobicContact CD1-CD1 3.54Å
466S91.3Very high85.3Confident1 Ų150 Ų501%0.00727%0.269CS..  trans-86164.4177.458.40000111.7C439 Y445 E446 A469 R470C439-S466 PolarHBondContact SG-N 3.34Å; C439-S466 PolarHBondContact SG-OG 3.03Å; C439-S466 VanDerWaalsContact SG-OG 3.33Å; Y445-S466 VanDerWaalsContact CB-CB 3.49Å; E446-S466 WeakPolarHBondContact O-CA 3.31Å; E446-S466 WeakPolarHBondContact O-CB 3.47Å; S466-A469 WeakPolarHBondContact O-CB 3.45Å; S466-A469 PolarHBondContact O-N 3.12Å; S466-A469 VanDerWaalsContact O-N 3.09Å; S466-R470 PolarHBondContact O-N 3.42Å
467L89Confident86.6Confident88 Ų8846 Ų4646%0.46124%0.243SC..Hα-helixtrans-53.5-48.7175.917863.6000113.1F449 A469 R470 D471F449-L467 HydrophobicContact CE2-CB 4.05Å; F449-L467 HydrophobicContact CE2-CD1 3.77Å; F449-L467 HydrophobicContact CZ-CD1 4.03Å; L467-A469 VanDerWaalsContact C-N 3.26Å; L467-A469 PolarHBondContact O-N 2.85Å; L467-R470 WeakPolarHBondContact O-CB 3.33Å; L467-R470 PolarHBondContact O-N 2.94Å; L467-D471 WeakPolarHBondContact O-CB 3.3Å; L467-D471 PolarHBondContact O-N 3.14Å
468P89.1Confident87.9Confident36 Ų3641.1 Ų41.123%0.23422%0.217CC..Hα-helixtrans-63.7-27.8177.1-2435.9000114.4M442 Y445 R472M442-P468 HydrophobicContact CE-CB 4.34Å; M442-P468 HydrophobicContact SD-CB 4.13Å; Y445-P468 HydrophobicContact CD1-CG 4Å; Y445-P468 HydrophobicContact CE1-CG 3.94Å; P468-R472 WeakPolarHBondContact O-CD 3.5Å; P468-R472 VanDerWaalsContact O-CG 3.3Å; P468-R472 WeakPolarHBondContact O-CG 3.21Å; P468-R472 PolarHBondContact O-N 3.22Å
469A90.8Very high89.5Confident3 Ų336 Ų363%0.02518%0.181CC..Hα-helixtrans-74.9-45.2174.900000111.1C439 L441 M442 I465 S466 L467 D471 R472 L473C439-A469 VanDerWaalsContact SG-CB 3.56Å; L441-A469 HydrophobicContact CB-CB 4.11Å; L441-A469 HydrophobicContact CD1-CB 4.33Å; M442-A469 HydrophobicContact CG-CB 4.08Å; M442-A469 HydrophobicContact SD-CB 3.86Å; I465-A469 HydrophobicContact CB-CB 4.16Å; S466-A469 WeakPolarHBondContact O-CB 3.45Å; S466-A469 PolarHBondContact O-N 3.12Å; S466-A469 VanDerWaalsContact O-N 3.09Å; L467-A469 VanDerWaalsContact C-N 3.26Å; L467-A469 PolarHBondContact O-N 2.85Å; A469-D471 VanDerWaalsContact C-N 3.26Å; A469-D471 PolarHBondContact O-N 3.01Å; A469-R472 PolarHBondContact O-N 3.2Å; A469-L473 WeakPolarHBondContact O-CB 3.42Å; A469-L473 WeakPolarHBondContact O-CD1 3.33Å; A469-L473 WeakPolarHBondContact O-CG 3.33Å; A469-L473 PolarHBondContact O-N 3.45Å
470R92Very high90.7Very high68 Ų6830.2 Ų30.226%0.25715%0.15SC..Hα-helixtrans-53.8-44.7171.1171.8-87.4-176.9-176-0110.8I408 F449 I465 S466 L467 L473 V474I408-R470 HydrophobicContact CG2-CG 4.04Å; F449-R470 HydrophobicContact CD1-CG 4.31Å; F449-R470 HydrophobicContact CD2-CB 3.86Å; F449-R470 HydrophobicContact CD2-CG 4.08Å; F449-R470 HydrophobicContact CE1-CG 4.39Å; F449-R470 HydrophobicContact CE2-CB 4.17Å; F449-R470 HydrophobicContact CE2-CG 4.17Å; F449-R470 HydrophobicContact CG-CB 4.26Å; F449-R470 HydrophobicContact CG-CG 4.17Å; F449-R470 HydrophobicContact CZ-CG 4.32Å; I465-R470 HydrophobicContact CD1-CB 3.92Å; I465-R470 HydrophobicContact CG1-CB 4.47Å; S466-R470 PolarHBondContact O-N 3.42Å; L467-R470 WeakPolarHBondContact O-CB 3.33Å; L467-R470 PolarHBondContact O-N 2.94Å; R470-L473 PolarHBondContact O-N 2.98Å; R470-V474 HydrophobicContact CG-CG2 4.27Å; R470-V474 WeakPolarHBondContact O-CB 3.48Å; R470-V474 VanDerWaalsContact O-CG2 3.3Å; R470-V474 WeakPolarHBondContact O-CG2 3.35Å; R470-V474 PolarHBondContact O-N 3.49Å
471D90.6Very high91.2Very high14 Ų1426.8 Ų26.88%0.07513%0.134CC..Hα-helixtrans-67.3-40.9-176-73.1-21.8000113L467 A469 A475 G544 A545L467-D471 WeakPolarHBondContact O-CB 3.3Å; L467-D471 PolarHBondContact O-N 3.14Å; A469-D471 VanDerWaalsContact C-N 3.26Å; A469-D471 PolarHBondContact O-N 3.01Å; D471-A475 WeakPolarHBondContact O-CB 3.42Å; D471-A475 PolarHBondContact O-N 3.4Å; D471-G544 VanDerWaalsContact OD2-CA 3.32Å; D471-G544 WeakPolarHBondContact OD2-CA 3.38Å; D471-A545 HydrophobicContact CB-CB 4.17Å; D471-A545 VanDerWaalsContact CG-N 3.3Å
472R92.3Very high91.6Very high49 Ų4924.9 Ų24.919%0.18512%0.123CC..Hα-helixtrans-63.7-44172.3-71168.1178.5-159.8-0.5111.7C385 P468 A469 I476 A539 R540C385-R472 HydrophobicContact CB-CB 4.36Å; C385-R472 PolarHBondContact O-NH1 3.06Å; C385-R472 VanDerWaalsContact O-NH1 3.11Å; P468-R472 WeakPolarHBondContact O-CD 3.5Å; P468-R472 VanDerWaalsContact O-CG 3.3Å; P468-R472 WeakPolarHBondContact O-CG 3.21Å; P468-R472 PolarHBondContact O-N 3.22Å; A469-R472 PolarHBondContact O-N 3.2Å; R472-I476 WeakPolarHBondContact O-CD1 3.31Å; R472-I476 WeakPolarHBondContact O-CG1 3.27Å; R472-I476 PolarHBondContact O-N 3.07Å; R472-A539 HydrophobicContact CG-CB 4.17Å; R472-A539 WeakPolarHBondContact CG-O 3.41Å; R472-A539 PolarHBondContact NE-O 3.22Å; R472-R540 PolarHBondContact NH2-O 2.86Å
473L92.5Very high91.8Very high0 Ų021.5 Ų21.50%011%0.105CC..Hα-helixtrans-61.5-50.2176.2-78.6160.2000111.7F386 I397 L406 I408 L441 M451 I465 A469 R470 A475 I476 V477F386-L473 HydrophobicContact CE1-CD2 3.94Å; F386-L473 HydrophobicContact CE1-CG 4.12Å; F386-L473 HydrophobicContact CZ-CD2 3.67Å; F386-L473 HydrophobicContact CZ-CG 4.15Å; I397-L473 HydrophobicContact CG2-CD2 4.17Å; L406-L473 HydrophobicContact CD1-CD2 4.07Å; I408-L473 HydrophobicContact CD1-CB 3.95Å; I408-L473 HydrophobicContact CD1-CD1 4.17Å; L441-L473 HydrophobicContact CD1-CD1 3.57Å; L441-L473 HydrophobicContact CD1-CG 4.32Å; M451-L473 HydrophobicContact CE-CD1 4.25Å; M451-L473 HydrophobicContact SD-CD1 3.47Å; M451-L473 WeakPolarHBondContact SD-CD1 3.45Å; M451-L473 HydrophobicContact SD-CD2 4.05Å; M451-L473 HydrophobicContact SD-CG 4.4Å; I465-L473 HydrophobicContact CD1-CD1 3.54Å; A469-L473 WeakPolarHBondContact O-CB 3.42Å; A469-L473 WeakPolarHBondContact O-CD1 3.33Å; A469-L473 WeakPolarHBondContact O-CG 3.33Å; A469-L473 PolarHBondContact O-N 3.45Å; R470-L473 PolarHBondContact O-N 2.98Å; L473-A475 PolarHBondContact O-N 2.88Å; L473-I476 PolarHBondContact O-N 3.02Å; L473-I476 VanDerWaalsContact O-N 3.13Å; L473-V477 WeakPolarHBondContact O-CG2 3.47Å; L473-V477 PolarHBondContact O-N 3.03Å
474V91.8Very high91.9Very high28 Ų2821.1 Ų21.117%0.1710%0.102CC..Hα-helixtrans-60.8-42.4179.6168.30000111.2I408 R470 I476 V477 N478 A545I408-V474 HydrophobicContact CD1-CG2 4.35Å; R470-V474 HydrophobicContact CG-CG2 4.27Å; R470-V474 WeakPolarHBondContact O-CB 3.48Å; R470-V474 VanDerWaalsContact O-CG2 3.3Å; R470-V474 WeakPolarHBondContact O-CG2 3.35Å; R470-V474 PolarHBondContact O-N 3.49Å; V474-I476 VanDerWaalsContact C-N 3.28Å; V474-I476 PolarHBondContact O-N 3.05Å; V474-V477 PolarHBondContact O-N 2.6Å; V474-N478 WeakPolarHBondContact O-CB 3.38Å; V474-N478 PolarHBondContact O-N 2.93Å; V474-N478 PolarHBondContact O-OD1 3.2Å; V474-A545 HydrophobicContact CB-CB 4.46Å; V474-A545 HydrophobicContact CG1-CB 4.17Å
475A91.9Very high91.8Very high1 Ų121.1 Ų21.11%0.00810%0.104CC..Hα-helixtrans-60-37.3175.800000112.8D471 L473 L479 I536 A539D471-A475 WeakPolarHBondContact O-CB 3.42Å; D471-A475 PolarHBondContact O-N 3.4Å; L473-A475 PolarHBondContact O-N 2.88Å; A475-L479 PolarHBondContact O-N 3.4Å; A475-I536 HydrophobicContact CB-CB 4.43Å; A475-I536 HydrophobicContact CB-CG1 3.8Å; A475-I536 WeakPolarHBondContact O-CG1 3.46Å; A475-A539 HydrophobicContact CB-CB 3.97Å
476I93.6Very high91.7Very high0 Ų021.7 Ų21.70%011%0.107CC..Hα-helixtrans-75.3-43.7176-63.8162.7000111.5I382 C385 F386 L401 R472 L473 V474 N478 L479 F480 I536I382-I476 HydrophobicContact CG1-CG1 4.47Å; I382-I476 HydrophobicContact CG1-CG2 4.13Å; I382-I476 HydrophobicContact CG2-CD1 4.18Å; I382-I476 HydrophobicContact CG2-CG2 4.35Å; C385-I476 HydrophobicContact CB-CD1 3.86Å; F386-I476 HydrophobicContact CE2-CD1 3.5Å; F386-I476 VanDerWaalsContact CE2-CD1 3.5Å; F386-I476 HydrophobicContact CZ-CD1 3.68Å; L401-I476 HydrophobicContact CD1-CG2 3.69Å; L401-I476 HydrophobicContact CD2-CG2 3.8Å; L401-I476 HydrophobicContact CG-CG2 4.41Å; R472-I476 WeakPolarHBondContact O-CD1 3.31Å; R472-I476 WeakPolarHBondContact O-CG1 3.27Å; R472-I476 PolarHBondContact O-N 3.07Å; L473-I476 PolarHBondContact O-N 3.02Å; L473-I476 VanDerWaalsContact O-N 3.13Å; V474-I476 VanDerWaalsContact C-N 3.28Å; V474-I476 PolarHBondContact O-N 3.05Å; I476-N478 VanDerWaalsContact C-N 3.29Å; I476-N478 PolarHBondContact O-N 3.12Å; I476-L479 WeakPolarHBondContact O-CB 3.35Å; I476-L479 PolarHBondContact O-N 3Å; I476-L479 VanDerWaalsContact O-N 3.07Å; I476-F480 HydrophobicContact CG2-CD2 3.8Å; I476-F480 HydrophobicContact CG2-CE2 3.86Å; I476-F480 WeakPolarHBondContact O-CD2 3.34Å; I476-F480 PolarHBondContact O-N 3.35Å; I476-I536 HydrophobicContact CG1-CD1 3.97Å; I476-I536 HydrophobicContact CG1-CG1 4.02Å; I476-I536 HydrophobicContact CG1-CG2 4.17Å
477V92.9Very high91.5Very high7 Ų726.3 Ų26.34%0.04213%0.127CC..Hα-helixtrans-59.5-42177168.40000110.4I301 L401 L406 L473 V474 L479 F480 Q481I301-V477 HydrophobicContact CD1-CG1 4.04Å; L401-V477 HydrophobicContact CD2-CG2 3.82Å; L406-V477 HydrophobicContact CD1-CG2 3.91Å; L473-V477 WeakPolarHBondContact O-CG2 3.47Å; L473-V477 PolarHBondContact O-N 3.03Å; V474-V477 PolarHBondContact O-N 2.6Å; V477-L479 VanDerWaalsContact C-N 3.28Å; V477-L479 PolarHBondContact O-N 3.47Å; V477-F480 PolarHBondContact O-N 3.4Å; V477-Q481 HydrophobicContact CG1-CG 4.28Å; V477-Q481 WeakPolarHBondContact O-CB 3.31Å; V477-Q481 VanDerWaalsContact O-CG 3.3Å; V477-Q481 WeakPolarHBondContact O-CG 3.39Å; V477-Q481 PolarHBondContact O-N 3.15Å
478N92.1Very high91.4Very high16 Ų1630 Ų309%0.08614%0.135CC..Hα-helixtrans-62.6-33.9176.2-66.51.8000112.1V474 I476 Y482 H532V474-N478 WeakPolarHBondContact O-CB 3.38Å; V474-N478 PolarHBondContact O-N 2.93Å; V474-N478 PolarHBondContact O-OD1 3.2Å; I476-N478 VanDerWaalsContact C-N 3.29Å; I476-N478 PolarHBondContact O-N 3.12Å; N478-Y482 PolarHBondContact O-N 2.99Å; N478-Y482 VanDerWaalsContact O-N 3.12Å; N478-H532 PolarHBondContact O-CE1 2.94Å; N478-H532 VanDerWaalsContact O-CE1 3.28Å; N478-H532 PolarHBondContact O-ND1 3.43Å
479L93.9Very high90.8Very high1 Ų131.5 Ų31.51%0.00516%0.157CC..Hα-helixtrans-66.2-48.9171.617462.4000111.2L377 A475 I476 V477 Q481 Y482 L483 I529 H532 I536L377-L479 HydrophobicContact CD1-CD2 4.41Å; A475-L479 PolarHBondContact O-N 3.4Å; I476-L479 WeakPolarHBondContact O-CB 3.35Å; I476-L479 PolarHBondContact O-N 3Å; I476-L479 VanDerWaalsContact O-N 3.07Å; V477-L479 VanDerWaalsContact C-N 3.28Å; V477-L479 PolarHBondContact O-N 3.47Å; L479-Q481 VanDerWaalsContact C-N 3.31Å; L479-Q481 PolarHBondContact O-N 3.07Å; L479-Y482 PolarHBondContact O-N 3.21Å; L479-L483 HydrophobicContact CD1-CD1 3.89Å; L479-L483 HydrophobicContact CD1-CG 4Å; L479-L483 HydrophobicContact CG-CD1 3.9Å; L479-L483 HydrophobicContact CG-CG 4.41Å; L479-L483 WeakPolarHBondContact O-CG 3.4Å; L479-L483 PolarHBondContact O-N 2.95Å; L479-I529 HydrophobicContact CD1-CG2 4Å; L479-H532 HydrophobicContact CB-CB 4.06Å; L479-H532 HydrophobicContact CD1-CB 3.78Å; L479-H532 HydrophobicContact CG-CB 4.47Å; L479-I536 HydrophobicContact CB-CD1 4.09Å; L479-I536 HydrophobicContact CD2-CD1 3.57Å; L479-I536 HydrophobicContact CG-CD1 4.47Å
480F93.7Very high89.5Confident2 Ų236 Ų361%0.00918%0.181CC..Hα-helixtrans-64.4-33.9178.1-86.2-83.3000113L190 I382 L401 P402 L404 I476 V477 S484L190-F480 HydrophobicContact CD1-CE2 4.34Å; L190-F480 HydrophobicContact CD1-CZ 3.79Å; L190-F480 HydrophobicContact CD2-CZ 3.94Å; L190-F480 HydrophobicContact CG-CE1 4.43Å; L190-F480 HydrophobicContact CG-CZ 3.82Å; I382-F480 HydrophobicContact CD1-CE2 3.64Å; I382-F480 HydrophobicContact CD1-CZ 3.99Å; L401-F480 HydrophobicContact CB-CD2 4.1Å; L401-F480 HydrophobicContact CB-CE2 4.05Å; L401-F480 HydrophobicContact CB-CG 4.39Å; L401-F480 HydrophobicContact CB-CZ 4.32Å; L401-F480 HydrophobicContact CD1-CD2 4.43Å; L401-F480 HydrophobicContact CD1-CE2 4.07Å; L401-F480 HydrophobicContact CD2-CD2 3.99Å; L401-F480 HydrophobicContact CD2-CE2 4.45Å; L401-F480 HydrophobicContact CG-CD2 4.4Å; L401-F480 HydrophobicContact CG-CE2 4.43Å; P402-F480 HydrophobicContact CG-CE1 4.11Å; L404-F480 HydrophobicContact CD2-CB 3.89Å; I476-F480 HydrophobicContact CG2-CD2 3.8Å; I476-F480 HydrophobicContact CG2-CE2 3.86Å; I476-F480 WeakPolarHBondContact O-CD2 3.34Å; I476-F480 PolarHBondContact O-N 3.35Å; V477-F480 PolarHBondContact O-N 3.4Å; F480-S484 WeakPolarHBondContact O-CB 3.4Å; F480-S484 PolarHBondContact O-N 2.9Å; F480-S484 PolarHBondContact O-OG 3.38Å
481Q92.5Very high87.8Confident53 Ų5338.7 Ų38.725%0.24820%0.2CC..Hα-helixtrans-59.6-51.8170.2-75.2172.9-4.300110.4L404 V477 L479 L483 S484 I485L404-Q481 HydrophobicContact CD1-CG 3.9Å; L404-Q481 HydrophobicContact CD2-CG 3.8Å; V477-Q481 HydrophobicContact CG1-CG 4.28Å; V477-Q481 WeakPolarHBondContact O-CB 3.31Å; V477-Q481 VanDerWaalsContact O-CG 3.3Å; V477-Q481 WeakPolarHBondContact O-CG 3.39Å; V477-Q481 PolarHBondContact O-N 3.15Å; L479-Q481 VanDerWaalsContact C-N 3.31Å; L479-Q481 PolarHBondContact O-N 3.07Å; Q481-L483 PolarHBondContact O-N 2.98Å; Q481-S484 WeakPolarHBondContact O-CB 3.45Å; Q481-S484 PolarHBondContact O-N 3.4Å; Q481-S484 VanDerWaalsContact O-N 3.17Å; Q481-I485 WeakPolarHBondContact O-CD1 3.43Å; Q481-I485 VanDerWaalsContact O-CG1 3.24Å; Q481-I485 WeakPolarHBondContact O-CG1 3.49Å; Q481-I485 PolarHBondContact O-N 2.68Å
482Y93.5Very high85.7Confident18 Ų1839.8 Ų39.87%0.07121%0.209CC..Hα-helixtrans-61.7-45.9-179.9-165.1-106.6000112.7N478 L479 S484 I485 I486 S492 T528 I529 H532N478-Y482 PolarHBondContact O-N 2.99Å; N478-Y482 VanDerWaalsContact O-N 3.12Å; L479-Y482 PolarHBondContact O-N 3.21Å; Y482-S484 VanDerWaalsContact C-N 3.29Å; Y482-S484 PolarHBondContact O-N 3.03Å; Y482-I485 PolarHBondContact O-N 2.65Å; Y482-I485 VanDerWaalsContact O-N 3.1Å; Y482-I486 HydrophobicContact CD1-CD1 3.82Å; Y482-I486 HydrophobicContact CD1-CG1 4.48Å; Y482-I486 HydrophobicContact CE1-CD1 3.63Å; Y482-I486 HydrophobicContact CE1-CG1 4.24Å; Y482-I486 PolarHBondContact O-N 3.37Å; Y482-S492 WeakPolarHBondContact CE2-OG 3.47Å; Y482-S492 PolarHBondContact OH-O 3.34Å; Y482-T528 HydrophobicContact CD1-CG2 4.24Å; Y482-T528 HydrophobicContact CD2-CG2 4.17Å; Y482-T528 HydrophobicContact CE1-CG2 3.71Å; Y482-T528 HydrophobicContact CE2-CG2 3.64Å; Y482-T528 HydrophobicContact CG-CG2 4.46Å; Y482-T528 WeakPolarHBondContact OH-CB 3.41Å; Y482-I529 HydrophobicContact CD1-CG1 3.87Å; Y482-I529 HydrophobicContact CE1-CG1 4.03Å; Y482-H532 AromaticContact CD2-NE2 3.98Å; Y482-H532 AromaticContact CG-NE2 3.7Å
483L93Very high83.2Confident2 Ų240.1 Ų40.11%0.0122%0.219CC..Hα-helixtrans-63-34.5175.5-63.2171.4000112.2W181 L188 F373 I374 L377 L479 Q481 I485 K487 I529W181-L483 HydrophobicContact CH2-CB 4.13Å; W181-L483 HydrophobicContact CH2-CD2 3.81Å; W181-L483 HydrophobicContact CZ2-CB 4.39Å; W181-L483 HydrophobicContact CZ2-CD2 4.35Å; W181-L483 HydrophobicContact CZ3-CD2 4.09Å; L188-L483 HydrophobicContact CD2-CB 3.63Å; L188-L483 HydrophobicContact CD2-CD1 4.4Å; F373-L483 HydrophobicContact CE1-CD2 4.13Å; I374-L483 HydrophobicContact CD1-CD1 3.98Å; L377-L483 HydrophobicContact CD1-CD1 4.03Å; L479-L483 HydrophobicContact CD1-CD1 3.89Å; L479-L483 HydrophobicContact CD1-CG 4Å; L479-L483 HydrophobicContact CG-CD1 3.9Å; L479-L483 HydrophobicContact CG-CG 4.41Å; L479-L483 WeakPolarHBondContact O-CG 3.4Å; L479-L483 PolarHBondContact O-N 2.95Å; Q481-L483 PolarHBondContact O-N 2.98Å; L483-I485 VanDerWaalsContact C-N 3.33Å; L483-K487 WeakPolarHBondContact O-CB 3.37Å; L483-K487 PolarHBondContact O-N 2.92Å; L483-I529 HydrophobicContact CD2-CD1 3.62Å; L483-I529 HydrophobicContact CD2-CG1 4.01Å
484S90.8Very high80.7Confident5 Ų545.5 Ų45.54%0.03525%0.254CS..Hα-helixtrans-69.6-27.8173.8-62.10000113.4F480 Q481 Y482 R488F480-S484 WeakPolarHBondContact O-CB 3.4Å; F480-S484 PolarHBondContact O-N 2.9Å; F480-S484 PolarHBondContact O-OG 3.38Å; Q481-S484 WeakPolarHBondContact O-CB 3.45Å; Q481-S484 PolarHBondContact O-N 3.4Å; Q481-S484 VanDerWaalsContact O-N 3.17Å; Y482-S484 VanDerWaalsContact C-N 3.29Å; Y482-S484 PolarHBondContact O-N 3.03Å; S484-R488 WeakPolarHBondContact O-CD 3.46Å; S484-R488 VanDerWaalsContact O-CG 3.23Å; S484-R488 WeakPolarHBondContact O-CG 3.33Å; S484-R488 PolarHBondContact O-N 3.47Å
485I89.6Confident77.9Confident51 Ų5152.1 Ų52.126%0.26229%0.285SS..Hα-helixtrans-76-43.7175.9-63.1160.2000109.5Q481 Y482 L483 K487 R488 L490 S492Q481-I485 WeakPolarHBondContact O-CD1 3.43Å; Q481-I485 VanDerWaalsContact O-CG1 3.24Å; Q481-I485 WeakPolarHBondContact O-CG1 3.49Å; Q481-I485 PolarHBondContact O-N 2.68Å; Y482-I485 PolarHBondContact O-N 2.65Å; Y482-I485 VanDerWaalsContact O-N 3.1Å; L483-I485 VanDerWaalsContact C-N 3.33Å; I485-K487 PolarHBondContact O-N 3.44Å; I485-R488 PolarHBondContact O-N 3.32Å; I485-R488 VanDerWaalsContact O-N 3.09Å; I485-L490 HydrophobicContact CG2-CB 3.67Å; I485-L490 WeakPolarHBondContact CG2-O 3.41Å; I485-L490 PolarHBondContact O-N 3.31Å; I485-S492 VanDerWaalsContact CG2-OG 3.27Å; I485-S492 WeakPolarHBondContact CG2-OG 3.31Å
486I89.6Confident75Confident13 Ų1357.7 Ų57.77%0.06732%0.318CS..Hα-helixtrans-56-49170.7-62.5166.5000110.7F178 W181 Y482 R488 G489 Q525 I529F178-I486 HydrophobicContact CE2-CD1 4.47Å; W181-I486 HydrophobicContact CH2-CB 4.36Å; W181-I486 HydrophobicContact CH2-CG2 4.21Å; W181-I486 HydrophobicContact CZ3-CB 4.44Å; W181-I486 HydrophobicContact CZ3-CG2 3.91Å; Y482-I486 HydrophobicContact CD1-CD1 3.82Å; Y482-I486 HydrophobicContact CD1-CG1 4.48Å; Y482-I486 HydrophobicContact CE1-CD1 3.63Å; Y482-I486 HydrophobicContact CE1-CG1 4.24Å; Y482-I486 PolarHBondContact O-N 3.37Å; I486-R488 PolarHBondContact O-N 3.06Å; I486-R488 VanDerWaalsContact O-N 3.11Å; I486-G489 PolarHBondContact O-N 3.23Å; I486-Q525 HydrophobicContact CD1-CB 4.13Å; I486-Q525 HydrophobicContact CD1-CG 4.32Å; I486-Q525 HydrophobicContact CG1-CG 4.24Å; I486-I529 HydrophobicContact CD1-CD1 3.9Å; I486-I529 HydrophobicContact CD1-CG1 4.36Å
487K87.2Confident71.8Confident98 Ų9863.9 Ų63.943%0.42635%0.351SS..Hα-helixtrans-55.6-30177.7178.9172.5-169.2113.30113.4D185 C186 L188 L483 I485 G489D185-K487 PolarHBondContact O-NZ 2.96Å; C186-K487 HydrophobicContact CB-CB 3.79Å; C186-K487 HydrophobicContact CB-CD 4.35Å; C186-K487 HydrophobicContact CB-CG 3.84Å; C186-K487 WeakPolarHBondContact O-CD 3.42Å; C186-K487 PolarHBondContact O-NZ 2.98Å; L188-K487 HydrophobicContact CD1-CB 4.41Å; L188-K487 HydrophobicContact CD1-CD 3.78Å; L188-K487 HydrophobicContact CG-CD 4.17Å; L483-K487 WeakPolarHBondContact O-CB 3.37Å; L483-K487 PolarHBondContact O-N 2.92Å; I485-K487 PolarHBondContact O-N 3.44Å; K487-G489 VanDerWaalsContact C-N 3.28Å; K487-G489 PolarHBondContact O-N 3.49Å
488R85.7Confident69Low165 Ų16569 Ų6962%0.62338%0.382SS*.THydrogen-bonded Turntrans-83.90.9179.5-71.2166.9-174.7149.44.1113.4S484 I485 I486 L490S484-R488 WeakPolarHBondContact O-CD 3.46Å; S484-R488 VanDerWaalsContact O-CG 3.23Å; S484-R488 WeakPolarHBondContact O-CG 3.33Å; S484-R488 PolarHBondContact O-N 3.47Å; I485-R488 PolarHBondContact O-N 3.32Å; I485-R488 VanDerWaalsContact O-N 3.09Å; I486-R488 PolarHBondContact O-N 3.06Å; I486-R488 VanDerWaalsContact O-N 3.11Å; R488-L490 HydrophobicContact CB-CD1 4.07Å; R488-L490 HydrophobicContact CB-CG 4.1Å; R488-L490 PolarHBondContact O-N 3.45Å
489G77.8Confident65.9Low68 Ų6875.4 Ų75.470%0.70142%0.417SS*.THydrogen-bonded Turntrans68.716.9-17500000113.7I486 K487I486-G489 PolarHBondContact O-N 3.23Å; K487-G489 VanDerWaalsContact C-N 3.28Å; K487-G489 PolarHBondContact O-N 3.49Å
490L62.6Low63Low98 Ų9886.2 Ų86.251%0.51346%0.457SS..  trans-91.2124.1179.3-67.1173.6000109.3I485 R488 S492I485-L490 HydrophobicContact CG2-CB 3.67Å; I485-L490 WeakPolarHBondContact CG2-O 3.41Å; I485-L490 PolarHBondContact O-N 3.31Å; R488-L490 HydrophobicContact CB-CD1 4.07Å; R488-L490 HydrophobicContact CB-CG 4.1Å; R488-L490 PolarHBondContact O-N 3.45Å; L490-S492 PolarHBondContact O-N 3.13Å
491D56.4Low60.1Low123 Ų12395.2 Ų95.266%0.65850%0.496SS*.  trans-82.777.8-177.560.8-40.1000111.6S493D491-S493 PolarHBondContact O-N 2.99Å
492S46.4Very low57.3Low38 Ų38100 Ų10027%0.26652%0.524SS..  trans-70.666.9171.946.70000113Y482 I485 L490Y482-S492 WeakPolarHBondContact CE2-OG 3.47Å; Y482-S492 PolarHBondContact OH-O 3.34Å; I485-S492 VanDerWaalsContact CG2-OG 3.27Å; I485-S492 WeakPolarHBondContact CG2-OG 3.31Å; L490-S492 PolarHBondContact O-N 3.13Å
493S40.6Very low54.2Low56 Ų56106 Ų10639%0.39256%0.557SS.*  trans-104.3126.3156.3-1720000108.7D491 M495D491-S493 PolarHBondContact O-N 2.99Å; S493-M495 PolarHBondContact O-N 2.97Å
494P39.9Very low51.3Low113 Ų113111.6 Ų111.673%0.73460%0.595SS**  trans-54.3133.1156.2-18.331.2000108.2V496P494-V496 PolarHBondContact O-N 3.05Å
495M31.7Very low48.4Very low167 Ų167117.8 Ų117.882%0.82363%0.627SS**  trans-71.7100.1-177.9-68.6-167.978.400110.6S493 N497S493-M495 PolarHBondContact O-N 2.97Å; M495-N497 PolarHBondContact O-N 3.37Å
496V31.8Very low45.8Very low118 Ų118123 Ų12372%0.71566%0.656SS**  trans-68102.5159.8-179.90000106.8P494 V498P494-V496 PolarHBondContact O-N 3.05Å; V496-V498 VanDerWaalsContact C-N 3.25Å; V496-V498 HydrophobicContact CG1-CG2 4.1Å; V496-V498 PolarHBondContact O-N 3.01Å
497N25.8Very low43Very low129 Ų129132.1 Ų132.169%0.6969%0.691SS**  trans-6681.4177.5-92.5-24.8000111.1M495 N499M495-N497 PolarHBondContact O-N 3.37Å; N497-N499 VanDerWaalsContact C-N 3.34Å; N497-N499 PolarHBondContact O-N 3.41Å
498V33.7Very low40.6Very low114 Ų114135.9 Ų135.969%0.69171%0.71SS**  trans-74.691.8168-177.30000107.9V496 R500V496-V498 VanDerWaalsContact C-N 3.25Å; V496-V498 HydrophobicContact CG1-CG2 4.1Å; V496-V498 PolarHBondContact O-N 3.01Å; V498-R500 PolarHBondContact O-N 3.5Å
499N27.7Very low38.6Very low152 Ų152133.6 Ų133.681%0.81371%0.71SS**  trans-45.8106.8-175.9-66.2-53.3000113.4N497N497-N499 VanDerWaalsContact C-N 3.34Å; N497-N499 PolarHBondContact O-N 3.41Å
500R32.2Very low36.8Very low228 Ų228135.6 Ų135.686%0.8670%0.704SS**  trans-102.972.6167.4-71.2-168.1-178.6-163.10.3111.5V498V498-R500 PolarHBondContact O-N 3.5Å
501K32.6Very low35.8Very low191 Ų191133 Ų13383%0.8370%0.702SS**  trans-72.7165.9144.5-82.5-174.8174179.40108.6
502N34.4Very low35.5Very low153 Ų153131.4 Ų131.482%0.81870%0.697SS**  trans75.464.9175.8-53.1-0.8000115.3C504N502-C504 PolarHBondContact O-N 2.81Å
503N28.4Very low35.8Very low144 Ų144134.6 Ų134.677%0.7771%0.707SS**  4.3107.9118.8-174.325.4000116
504C32.7Very low36.6Very low119 Ų119135.9 Ų135.980%0.80471%0.713SS**  trans-163117144.1-105.80000112.7N502N502-C504 PolarHBondContact O-N 2.81Å
505N29.9Very low37.8Very low135 Ų135135.6 Ų135.672%0.72270%0.704SS**  trans-25.7124.7161.4-49.7-31.3000115.8
506N33.8Very low39.7Very low160 Ų160130.9 Ų130.986%0.85669%0.685SS**  -169.3134.1110.2-95.4-25000112.2
507Y31.3Very low41.9Very low205 Ų205129.8 Ų129.880%0.80467%0.67SS**  trans-82112.1171.2-78.5-103.9000109.5
508H36.7Very low44.4Very low178 Ų178128.9 Ų128.982%0.82466%0.662SS**  trans16980.6147.5-93-62.5000110.6
509N44Very low46.6Very low116 Ų116126.4 Ų126.462%0.6265%0.647SS**  trans-171.129.6157.1-102.6-32.4000113.9G511 T512 E513N509-G511 VanDerWaalsContact C-N 3.32Å; N509-G511 PolarHBondContact O-N 3.29Å; N509-G511 VanDerWaalsContact O-N 3.1Å; N509-T512 PolarHBondContact O-N 2.97Å; N509-T512 VanDerWaalsContact O-N 3.17Å; N509-E513 PolarHBondContact O-N 2.96Å
510N39.6Very low49.1Very low110 Ų110124.9 Ų124.959%0.58864%0.635SS**Hα-helixtrans-61.4-31.4-158.4-59.323.6000115T514N510-T514 PolarHBondContact O-N 3.35Å; N510-T514 PolarHBondContact O-OG1 2.91Å
511G41.7Very low51.6Low45 Ų45117.9 Ų117.946%0.46461%0.614SS.*Hα-helixtrans-76.2-32.6179.900000114.6N509 T514 I515N509-G511 VanDerWaalsContact C-N 3.32Å; N509-G511 PolarHBondContact O-N 3.29Å; N509-G511 VanDerWaalsContact O-N 3.1Å; G511-T514 PolarHBondContact O-OG1 3.42Å; G511-I515 WeakPolarHBondContact O-CG1 3.26Å; G511-I515 PolarHBondContact O-N 3.37Å
512T49.7Very low54.1Low89 Ų89110.1 Ų110.155%0.54658%0.58SS.*Hα-helixtrans-73.5-36.3179.4-35.60000110.7N509 T516N509-T512 PolarHBondContact O-N 2.97Å; N509-T512 VanDerWaalsContact O-N 3.17Å; T512-T516 WeakPolarHBondContact O-CB 3.1Å; T512-T516 PolarHBondContact O-N 3Å; T512-T516 VanDerWaalsContact O-N 3.09Å; T512-T516 PolarHBondContact O-OG1 3.16Å
513E53.4Low56.5Low104 Ų104106 Ų10649%0.48656%0.557SS.*Hα-helixtrans-66.2-38.1175.9-87.5-157.4-151.500113.6N509 T516 K517N509-E513 PolarHBondContact O-N 2.96Å; E513-T516 PolarHBondContact O-N 2.96Å; E513-K517 VanDerWaalsContact O-CD 3.3Å; E513-K517 WeakPolarHBondContact O-CD 3.3Å; E513-K517 WeakPolarHBondContact O-CG 3.41Å; E513-K517 PolarHBondContact O-N 2.91Å; E513-K517 WeakPolarHBondContact OE2-CE 3.45Å; E513-K517 IonicContact OE2-NZ 2.7Å; E513-K517 PolarHBondContact OE2-NZ 2.9Å
514T57.6Low59.1Low84 Ų84102.3 Ų102.352%0.51553%0.534SS..Hα-helixtrans-67.8-47.7179.846.30000111.4N510 G511 T516 K517 E518N510-T514 PolarHBondContact O-N 3.35Å; N510-T514 PolarHBondContact O-OG1 2.91Å; G511-T514 PolarHBondContact O-OG1 3.42Å; T514-T516 VanDerWaalsContact C-N 3.28Å; T514-T516 PolarHBondContact O-N 3.48Å; T514-K517 PolarHBondContact O-N 3.03Å; T514-K517 VanDerWaalsContact O-N 3.14Å; T514-E518 PolarHBondContact O-N 2.93Å
515I64.1Low61.8Low107 Ų10797.9 Ų97.955%0.54950%0.502SS..Hα-helixtrans-58.2-43.2175.6-62.8167.3000110.4G511 K517 E518 V519G511-I515 WeakPolarHBondContact O-CG1 3.26Å; G511-I515 PolarHBondContact O-N 3.37Å; I515-K517 VanDerWaalsContact C-N 3.34Å; I515-K517 PolarHBondContact O-N 3.42Å; I515-E518 PolarHBondContact O-N 2.98Å; I515-V519 WeakPolarHBondContact O-CG2 3.42Å; I515-V519 PolarHBondContact O-N 3.2Å
516T72.5Confident64.6Low67 Ų6791.5 Ų91.541%0.41147%0.468SS..Hα-helixtrans-63-38.3178.5-570000112.4T512 E513 T514 Q520T512-T516 WeakPolarHBondContact O-CB 3.1Å; T512-T516 PolarHBondContact O-N 3Å; T512-T516 VanDerWaalsContact O-N 3.09Å; T512-T516 PolarHBondContact O-OG1 3.16Å; E513-T516 PolarHBondContact O-N 2.96Å; T514-T516 VanDerWaalsContact C-N 3.28Å; T514-T516 PolarHBondContact O-N 3.48Å; T516-Q520 VanDerWaalsContact O-CG 3.23Å; T516-Q520 WeakPolarHBondContact O-CG 3.49Å; T516-Q520 PolarHBondContact O-N 3.36Å
517K77.7Confident67Low95 Ų9587.9 Ų87.941%0.41344%0.442SS..Hα-helixtrans-69.3-42.2176.4-70.7159.6-165.8166.50111.5E513 T514 I515 Q520 I521E513-K517 VanDerWaalsContact O-CD 3.3Å; E513-K517 WeakPolarHBondContact O-CD 3.3Å; E513-K517 WeakPolarHBondContact O-CG 3.41Å; E513-K517 PolarHBondContact O-N 2.91Å; E513-K517 WeakPolarHBondContact OE2-CE 3.45Å; E513-K517 IonicContact OE2-NZ 2.7Å; E513-K517 PolarHBondContact OE2-NZ 2.9Å; T514-K517 PolarHBondContact O-N 3.03Å; T514-K517 VanDerWaalsContact O-N 3.14Å; I515-K517 VanDerWaalsContact C-N 3.34Å; I515-K517 PolarHBondContact O-N 3.42Å; K517-Q520 PolarHBondContact O-N 3.38Å; K517-I521 VanDerWaalsContact O-CG1 3.3Å; K517-I521 WeakPolarHBondContact O-CG1 3.48Å; K517-I521 PolarHBondContact O-N 3.43Å
518E78.9Confident69.7Low110 Ų11079.1 Ų79.151%0.51441%0.41SS..Hα-helixtrans-61.8-48178.9-168.1-176.3159.300111.9T514 I515 Q520 I521 Q522T514-E518 PolarHBondContact O-N 2.93Å; I515-E518 PolarHBondContact O-N 2.98Å; E518-Q520 VanDerWaalsContact C-N 3.31Å; E518-Q520 PolarHBondContact O-N 2.93Å; E518-I521 WeakPolarHBondContact O-CB 3.48Å; E518-I521 PolarHBondContact O-N 3.11Å; E518-I521 VanDerWaalsContact O-N 3.13Å; E518-Q522 WeakPolarHBondContact O-CG 3.49Å; E518-Q522 PolarHBondContact O-N 3.42Å; E518-Q522 PolarHBondContact OE1-NE2 3.05Å; E518-Q522 VanDerWaalsContact OE1-NE2 3.08Å
519V80.7Confident72.2Confident63 Ų6370.7 Ų70.738%0.38237%0.371SS..Hα-helixtrans-60.9-39.3176.1173.60000111.6I515 I521 Q522 E523I515-V519 WeakPolarHBondContact O-CG2 3.42Å; I515-V519 PolarHBondContact O-N 3.2Å; V519-I521 PolarHBondContact O-N 3.05Å; V519-Q522 PolarHBondContact O-N 3.5Å; V519-E523 WeakPolarHBondContact O-CB 3.5Å; V519-E523 PolarHBondContact O-N 3.27Å
520Q79.8Confident74.3Confident119 Ų11967.7 Ų67.756%0.55635%0.353SS*.Hα-helixtrans-65.2-36.5175.4-74.817312.200112.8T516 K517 E518 Q524T516-Q520 VanDerWaalsContact O-CG 3.23Å; T516-Q520 WeakPolarHBondContact O-CG 3.49Å; T516-Q520 PolarHBondContact O-N 3.36Å; K517-Q520 PolarHBondContact O-N 3.38Å; E518-Q520 VanDerWaalsContact C-N 3.31Å; E518-Q520 PolarHBondContact O-N 2.93Å; Q520-Q524 WeakPolarHBondContact O-CB 3.27Å; Q520-Q524 PolarHBondContact O-N 2.89Å; Q520-Q524 VanDerWaalsContact O-N 3.08Å
521I83.9Confident76.7Confident82 Ų8267 Ų6742%0.42134%0.343SS..Hα-helixtrans-67.1-47.5174.5-69162.3000110.2K517 E518 V519 E523 Q524 Q525K517-I521 VanDerWaalsContact O-CG1 3.3Å; K517-I521 WeakPolarHBondContact O-CG1 3.48Å; K517-I521 PolarHBondContact O-N 3.43Å; E518-I521 WeakPolarHBondContact O-CB 3.48Å; E518-I521 PolarHBondContact O-N 3.11Å; E518-I521 VanDerWaalsContact O-N 3.13Å; V519-I521 PolarHBondContact O-N 3.05Å; I521-E523 PolarHBondContact O-N 2.96Å; I521-Q524 PolarHBondContact O-N 3.37Å; I521-Q524 VanDerWaalsContact O-N 3.17Å; I521-Q525 HydrophobicContact CG2-CG 4.36Å; I521-Q525 WeakPolarHBondContact O-CB 3.36Å; I521-Q525 WeakPolarHBondContact O-CG 3.25Å; I521-Q525 PolarHBondContact O-N 3.34Å
522Q85.8Confident78.9Confident27 Ų2766.3 Ų66.313%0.12633%0.327CS..Hα-helixtrans-61.3-43177.9-70.4167.3-2.500111.8F178 L179 I182 E518 V519 Q524 Q525 F526F178-Q522 HydrophobicContact CE1-CB 4.36Å; F178-Q522 WeakPolarHBondContact CE1-O 3.42Å; L179-Q522 HydrophobicContact CD2-CB 4.14Å; L179-Q522 HydrophobicContact CD2-CG 4.25Å; I182-Q522 HydrophobicContact CD1-CG 4.28Å; E518-Q522 WeakPolarHBondContact O-CG 3.49Å; E518-Q522 PolarHBondContact O-N 3.42Å; E518-Q522 PolarHBondContact OE1-NE2 3.05Å; E518-Q522 VanDerWaalsContact OE1-NE2 3.08Å; V519-Q522 PolarHBondContact O-N 3.5Å; Q522-Q524 PolarHBondContact O-N 2.98Å; Q522-Q525 PolarHBondContact O-N 3.36Å; Q522-F526 WeakPolarHBondContact O-CB 3.31Å; Q522-F526 PolarHBondContact O-N 2.94Å
523E83.3Confident80.9Confident68 Ų6863.3 Ų63.332%0.31831%0.306SS..Hα-helixtrans-57.2-47171.4-89.7-160.2-132.900112.2F175 V519 I521 F526 R527F175-E523 HydrophobicContact CZ-CG 4.35Å; V519-E523 WeakPolarHBondContact O-CB 3.5Å; V519-E523 PolarHBondContact O-N 3.27Å; I521-E523 PolarHBondContact O-N 2.96Å; E523-F526 PolarHBondContact O-N 3.35Å; E523-R527 WeakPolarHBondContact O-CB 3.46Å; E523-R527 WeakPolarHBondContact O-CD 3.31Å; E523-R527 WeakPolarHBondContact O-CG 3.27Å; E523-R527 PolarHBondContact O-N 3.02Å; E523-R527 IonicContact OE2-CZ 2.68Å; E523-R527 IonicContact OE2-NE 3.09Å; E523-R527 PolarHBondContact OE2-NE 3.41Å; E523-R527 IonicContact OE2-NH2 2.65Å; E523-R527 PolarHBondContact OE2-NH2 2.99Å
524Q84.1Confident82.6Confident65 Ų6560.4 Ų60.430%0.30429%0.293SS..Hα-helixtrans-70.9-35.1-177.5175.863.5-11.800112.4Q520 I521 Q522 T528Q520-Q524 WeakPolarHBondContact O-CB 3.27Å; Q520-Q524 PolarHBondContact O-N 2.89Å; Q520-Q524 VanDerWaalsContact O-N 3.08Å; I521-Q524 PolarHBondContact O-N 3.37Å; I521-Q524 VanDerWaalsContact O-N 3.17Å; Q522-Q524 PolarHBondContact O-N 2.98Å; Q524-T528 WeakPolarHBondContact O-CB 3.33Å; Q524-T528 PolarHBondContact O-N 3.42Å; Q524-T528 PolarHBondContact O-OG1 2.89Å
525Q88.3Confident84Confident26 Ų2657.4 Ų57.412%0.12127%0.274CS..Hα-helixtrans-60.5-51.7169.5-74.5172.2-10.900110.4F178 I486 I521 Q522 R527 T528 I529F178-Q525 HydrophobicContact CZ-CB 3.9Å; I486-Q525 HydrophobicContact CD1-CB 4.13Å; I486-Q525 HydrophobicContact CD1-CG 4.32Å; I486-Q525 HydrophobicContact CG1-CG 4.24Å; I521-Q525 HydrophobicContact CG2-CG 4.36Å; I521-Q525 WeakPolarHBondContact O-CB 3.36Å; I521-Q525 WeakPolarHBondContact O-CG 3.25Å; I521-Q525 PolarHBondContact O-N 3.34Å; Q522-Q525 PolarHBondContact O-N 3.36Å; Q525-R527 PolarHBondContact O-N 2.87Å; Q525-T528 CarbonylContact O-C 3.23Å; Q525-T528 WeakPolarHBondContact O-CA 3.46Å; Q525-T528 WeakPolarHBondContact O-CB 3.31Å; Q525-T528 PolarHBondContact O-N 3.25Å; Q525-I529 PolarHBondContact O-N 2.94Å
526F89.8Confident85.2Confident2 Ų252.3 Ų52.31%0.00925%0.248CC..Hα-helixtrans-60.9-44.5178.9-174.1-99.2000112.6L170 T174 F175 F178 F373 Q522 E523 T528 I529 Q530L170-F526 HydrophobicContact CD1-CD1 3.86Å; L170-F526 HydrophobicContact CD1-CE1 3.72Å; L170-F526 HydrophobicContact CD2-CD1 4.1Å; L170-F526 HydrophobicContact CD2-CE1 4.05Å; L170-F526 HydrophobicContact CG-CD1 4.12Å; L170-F526 HydrophobicContact CG-CE1 3.7Å; T174-F526 HydrophobicContact CG2-CE2 3.98Å; T174-F526 HydrophobicContact CG2-CZ 3.93Å; T174-F526 WeakPolarHBondContact O-CE2 3.22Å; F175-F526 HydrophobicContact CB-CE1 4.24Å; F175-F526 HydrophobicContact CB-CE2 4.17Å; F175-F526 HydrophobicContact CB-CZ 3.91Å; F175-F526 HydrophobicContact CD2-CB 3.89Å; F175-F526 AromaticContact CD2-CD1 3.86Å; F175-F526 HydrophobicContact CD2-CD1 3.86Å; F175-F526 AromaticContact CD2-CD2 3.75Å; F175-F526 HydrophobicContact CD2-CD2 3.75Å; F175-F526 HydrophobicContact CD2-CE1 4.23Å; F175-F526 HydrophobicContact CD2-CE2 4.11Å; F175-F526 AromaticContact CD2-CG 3.57Å; F175-F526 HydrophobicContact CD2-CG 3.57Å; F175-F526 HydrophobicContact CD2-CZ 4.31Å; F175-F526 HydrophobicContact CE2-CB 3.9Å; F175-F526 HydrophobicContact CE2-CG 4.11Å; F178-F526 HydrophobicContact CB-CD2 3.71Å; F178-F526 HydrophobicContact CB-CE2 3.87Å; F178-F526 HydrophobicContact CD1-CB 3.96Å; F178-F526 AromaticContact CD1-CD2 3.69Å; F178-F526 HydrophobicContact CD1-CD2 3.69Å; F178-F526 HydrophobicContact CD1-CG 4.24Å; F178-F526 HydrophobicContact CD2-CD2 4.23Å; F178-F526 HydrophobicContact CE1-CB 3.81Å; F178-F526 HydrophobicContact CE1-CD2 4.34Å; F178-F526 AromaticContact CG-CD2 3.61Å; F178-F526 HydrophobicContact CG-CD2 3.61Å; F178-F526 HydrophobicContact CG-CE2 4.29Å; F178-F526 HydrophobicContact CZ-CB 4.3Å; F373-F526 HydrophobicContact CE2-CE2 4.22Å; Q522-F526 WeakPolarHBondContact O-CB 3.31Å; Q522-F526 PolarHBondContact O-N 2.94Å; E523-F526 PolarHBondContact O-N 3.35Å; F526-T528 PolarHBondContact O-N 2.64Å; F526-I529 WeakPolarHBondContact O-CB 3.49Å; F526-I529 PolarHBondContact O-N 2.64Å; F526-I529 VanDerWaalsContact O-N 3.1Å; F526-Q530 HydrophobicContact CD1-CG 4.08Å; F526-Q530 HydrophobicContact CE1-CG 3.84Å; F526-Q530 HydrophobicContact CZ-CG 4.36Å; F526-Q530 WeakPolarHBondContact O-CG 3.4Å; F526-Q530 PolarHBondContact O-N 3.36Å
527R84.4Confident85.9Confident83 Ų8350.7 Ų50.731%0.31324%0.241SC..Hα-helixtrans-56.5-35.5173.7-73167.1-167.5-63.6-1.6111.7E523 Q525 R531E523-R527 WeakPolarHBondContact O-CB 3.46Å; E523-R527 WeakPolarHBondContact O-CD 3.31Å; E523-R527 WeakPolarHBondContact O-CG 3.27Å; E523-R527 PolarHBondContact O-N 3.02Å; E523-R527 IonicContact OE2-CZ 2.68Å; E523-R527 IonicContact OE2-NE 3.09Å; E523-R527 PolarHBondContact OE2-NE 3.41Å; E523-R527 IonicContact OE2-NH2 2.65Å; E523-R527 PolarHBondContact OE2-NH2 2.99Å; Q525-R527 PolarHBondContact O-N 2.87Å; R527-R531 WeakPolarHBondContact O-CG 3.26Å; R527-R531 PolarHBondContact O-N 3.32Å
528T87.4Confident86.3Confident22 Ų2246.4 Ų46.414%0.13522%0.223CC..Hα-helixtrans-74.3-39.4176.3-54.20000111.8Y482 Q524 Q525 F526 Q530 R531 H532Y482-T528 HydrophobicContact CD1-CG2 4.24Å; Y482-T528 HydrophobicContact CD2-CG2 4.17Å; Y482-T528 HydrophobicContact CE1-CG2 3.71Å; Y482-T528 HydrophobicContact CE2-CG2 3.64Å; Y482-T528 HydrophobicContact CG-CG2 4.46Å; Y482-T528 WeakPolarHBondContact OH-CB 3.41Å; Q524-T528 WeakPolarHBondContact O-CB 3.33Å; Q524-T528 PolarHBondContact O-N 3.42Å; Q524-T528 PolarHBondContact O-OG1 2.89Å; Q525-T528 CarbonylContact O-C 3.23Å; Q525-T528 WeakPolarHBondContact O-CA 3.46Å; Q525-T528 WeakPolarHBondContact O-CB 3.31Å; Q525-T528 PolarHBondContact O-N 3.25Å; F526-T528 PolarHBondContact O-N 2.64Å; T528-Q530 VanDerWaalsContact C-N 3.33Å; T528-Q530 PolarHBondContact O-N 2.91Å; T528-R531 WeakPolarHBondContact O-CB 3.33Å; T528-R531 PolarHBondContact O-N 2.92Å; T528-R531 VanDerWaalsContact O-N 3.08Å; T528-R531 PolarHBondContact OG1-NH1 3.41Å; T528-H532 PolarHBondContact O-CD2 3.31Å; T528-H532 VanDerWaalsContact O-CD2 3.22Å; T528-H532 PolarHBondContact O-N 3.16Å
529I90Very high86.7Confident0 Ų041.2 Ų41.20%020%0.199CC..Hα-helixtrans-57.4-45.1170.3-64.6165.8000110.9F178 F373 L479 Y482 L483 I486 Q525 F526 R531 H532 R533F178-I529 HydrophobicContact CD2-CD1 3.79Å; F178-I529 HydrophobicContact CE2-CD1 3.39Å; F178-I529 HydrophobicContact CZ-CD1 4.21Å; F373-I529 HydrophobicContact CE1-CD1 4.25Å; F373-I529 HydrophobicContact CZ-CD1 3.99Å; F373-I529 HydrophobicContact CZ-CG2 4.1Å; L479-I529 HydrophobicContact CD1-CG2 4Å; Y482-I529 HydrophobicContact CD1-CG1 3.87Å; Y482-I529 HydrophobicContact CE1-CG1 4.03Å; L483-I529 HydrophobicContact CD2-CD1 3.62Å; L483-I529 HydrophobicContact CD2-CG1 4.01Å; I486-I529 HydrophobicContact CD1-CD1 3.9Å; I486-I529 HydrophobicContact CD1-CG1 4.36Å; Q525-I529 PolarHBondContact O-N 2.94Å; F526-I529 WeakPolarHBondContact O-CB 3.49Å; F526-I529 PolarHBondContact O-N 2.64Å; F526-I529 VanDerWaalsContact O-N 3.1Å; I529-R531 VanDerWaalsContact C-N 3.26Å; I529-R531 PolarHBondContact O-N 3.43Å; I529-H532 WeakPolarHBondContact O-CA 3.5Å; I529-H532 WeakPolarHBondContact O-CB 3.41Å; I529-H532 PolarHBondContact O-N 3.35Å; I529-R533 HydrophobicContact CG2-CG 4.28Å; I529-R533 WeakPolarHBondContact O-CG 3.42Å; I529-R533 PolarHBondContact O-N 2.97Å
530Q88.7Confident87.1Confident54 Ų5441.7 Ų41.725%0.25219%0.194SC..Hα-helixtrans-61.5-31.9177.1-58.7-53.3-37.200112.6F526 T528 R533 L534F526-Q530 HydrophobicContact CD1-CG 4.08Å; F526-Q530 HydrophobicContact CE1-CG 3.84Å; F526-Q530 HydrophobicContact CZ-CG 4.36Å; F526-Q530 WeakPolarHBondContact O-CG 3.4Å; F526-Q530 PolarHBondContact O-N 3.36Å; T528-Q530 VanDerWaalsContact C-N 3.33Å; T528-Q530 PolarHBondContact O-N 2.91Å; Q530-R533 PolarHBondContact O-N 2.98Å; Q530-L534 WeakPolarHBondContact O-CB 3.48Å; Q530-L534 PolarHBondContact O-N 2.92Å
531R88Confident87.4Confident96 Ų9642.4 Ų42.436%0.36220%0.201SC..Hα-helixtrans-65.4-41170-63.4171.3-171.7113.71.3111.9R527 T528 I529 L534 N535R527-R531 WeakPolarHBondContact O-CG 3.26Å; R527-R531 PolarHBondContact O-N 3.32Å; T528-R531 WeakPolarHBondContact O-CB 3.33Å; T528-R531 PolarHBondContact O-N 2.92Å; T528-R531 VanDerWaalsContact O-N 3.08Å; T528-R531 PolarHBondContact OG1-NH1 3.41Å; I529-R531 VanDerWaalsContact C-N 3.26Å; I529-R531 PolarHBondContact O-N 3.43Å; R531-L534 PolarHBondContact O-N 2.79Å; R531-N535 PolarHBondContact O-N 2.96Å; R531-N535 PolarHBondContact O-ND2 3.33Å; R531-N535 VanDerWaalsContact O-ND2 3.09Å
532H90Very high87.3Confident30 Ų3041.1 Ų41.114%0.13921%0.208CC..Hα-helixtrans-63.7-42.2174.5-76.1-81.3000112.3N478 L479 Y482 T528 I529 N535 I536N478-H532 PolarHBondContact O-CE1 2.94Å; N478-H532 VanDerWaalsContact O-CE1 3.28Å; N478-H532 PolarHBondContact O-ND1 3.43Å; L479-H532 HydrophobicContact CB-CB 4.06Å; L479-H532 HydrophobicContact CD1-CB 3.78Å; L479-H532 HydrophobicContact CG-CB 4.47Å; Y482-H532 AromaticContact CD2-NE2 3.98Å; Y482-H532 AromaticContact CG-NE2 3.7Å; T528-H532 PolarHBondContact O-CD2 3.31Å; T528-H532 VanDerWaalsContact O-CD2 3.22Å; T528-H532 PolarHBondContact O-N 3.16Å; I529-H532 WeakPolarHBondContact O-CA 3.5Å; I529-H532 WeakPolarHBondContact O-CB 3.41Å; I529-H532 PolarHBondContact O-N 3.35Å; H532-N535 WeakPolarHBondContact O-CB 3.29Å; H532-N535 PolarHBondContact O-N 3.25Å; H532-I536 WeakPolarHBondContact O-CG1 3.24Å; H532-I536 PolarHBondContact O-N 2.88Å
533R91.6Very high87Confident26 Ų2644 Ų4410%0.09822%0.218CC..Hα-helixtrans-60.7-46.1174.6-62.5177.876.8-156.67112.2L377 D381 I529 Q530 N535 I536 A537L377-R533 VanDerWaalsContact CD2-CD 3.44Å; L377-R533 HydrophobicContact CD2-CG 3.83Å; L377-R533 VanDerWaalsContact CD2-NE 3.32Å; D381-R533 IonicContact OD1-NE 2.69Å; D381-R533 IonicContact OD1-NH2 2.74Å; D381-R533 IonicContact OD2-CZ 3.41Å; D381-R533 VanDerWaalsContact OD2-CZ 3.26Å; D381-R533 IonicContact OD2-NE 3.15Å; D381-R533 PolarHBondContact OD2-NE 3.12Å; D381-R533 IonicContact OD2-NH2 2.68Å; D381-R533 PolarHBondContact OD2-NH2 2.87Å; I529-R533 HydrophobicContact CG2-CG 4.28Å; I529-R533 WeakPolarHBondContact O-CG 3.42Å; I529-R533 PolarHBondContact O-N 2.97Å; Q530-R533 PolarHBondContact O-N 2.98Å; R533-N535 VanDerWaalsContact C-N 3.3Å; R533-N535 PolarHBondContact O-N 2.85Å; R533-I536 WeakPolarHBondContact O-CB 3.39Å; R533-I536 PolarHBondContact O-N 3.16Å; R533-I536 VanDerWaalsContact O-N 3.1Å; R533-A537 PolarHBondContact O-N 3.06Å
534L87.8Confident86.3Confident42 Ų4241.5 Ų41.522%0.2221%0.21CC..Hα-helixtrans-56.9-42.8172.8178.562.1000111.7L157 V160 Q530 R531 I536 A537 L538L157-L534 HydrophobicContact CD2-CD2 3.83Å; L157-L534 HydrophobicContact CD2-CG 4.25Å; V160-L534 HydrophobicContact CB-CD2 4.1Å; V160-L534 HydrophobicContact CG1-CD1 4.13Å; V160-L534 HydrophobicContact CG1-CD2 3.56Å; Q530-L534 WeakPolarHBondContact O-CB 3.48Å; Q530-L534 PolarHBondContact O-N 2.92Å; R531-L534 PolarHBondContact O-N 2.79Å; L534-I536 VanDerWaalsContact C-N 3.34Å; L534-I536 PolarHBondContact O-N 2.92Å; L534-A537 PolarHBondContact O-N 2.86Å; L534-L538 HydrophobicContact CD1-CD1 4.43Å; L534-L538 HydrophobicContact CD1-CG 4.38Å; L534-L538 HydrophobicContact CG-CD1 4.16Å; L534-L538 WeakPolarHBondContact O-CB 3.47Å; L534-L538 VanDerWaalsContact O-CG 3.3Å; L534-L538 WeakPolarHBondContact O-CG 3.49Å; L534-L538 PolarHBondContact O-N 2.86Å
535N86.8Confident85.3Confident21 Ų2138.7 Ų38.711%0.11220%0.198CC..Hα-helixtrans-62.6-36.8175.8-78-45.4000112.9R153 R531 H532 R533 L538 A539 P546R153-N535 PolarHBondContact NH2-OD1 3.3Å; R531-N535 PolarHBondContact O-N 2.96Å; R531-N535 PolarHBondContact O-ND2 3.33Å; R531-N535 VanDerWaalsContact O-ND2 3.09Å; H532-N535 WeakPolarHBondContact O-CB 3.29Å; H532-N535 PolarHBondContact O-N 3.25Å; R533-N535 VanDerWaalsContact C-N 3.3Å; R533-N535 PolarHBondContact O-N 2.85Å; N535-L538 PolarHBondContact O-N 2.97Å; N535-A539 WeakPolarHBondContact O-CB 3.19Å; N535-A539 PolarHBondContact O-N 3.44Å; N535-P546 HydrophobicContact CB-CG 4.2Å
536I89.6Confident83.8Confident0 Ų038.3 Ų38.30%020%0.198CC..Hα-helixtrans-66.6-43.5173.3-64.6165.5000110.9D381 A475 I476 L479 H532 R533 L534 L538 A539 R540D381-I536 HydrophobicContact CB-CD1 4.35Å; D381-I536 HydrophobicContact CB-CG2 4.22Å; D381-I536 WeakPolarHBondContact O-CG2 3.43Å; A475-I536 HydrophobicContact CB-CB 4.43Å; A475-I536 HydrophobicContact CB-CG1 3.8Å; A475-I536 WeakPolarHBondContact O-CG1 3.46Å; I476-I536 HydrophobicContact CG1-CD1 3.97Å; I476-I536 HydrophobicContact CG1-CG1 4.02Å; I476-I536 HydrophobicContact CG1-CG2 4.17Å; L479-I536 HydrophobicContact CB-CD1 4.09Å; L479-I536 HydrophobicContact CD2-CD1 3.57Å; L479-I536 HydrophobicContact CG-CD1 4.47Å; H532-I536 WeakPolarHBondContact O-CG1 3.24Å; H532-I536 PolarHBondContact O-N 2.88Å; R533-I536 WeakPolarHBondContact O-CB 3.39Å; R533-I536 PolarHBondContact O-N 3.16Å; R533-I536 VanDerWaalsContact O-N 3.1Å; L534-I536 VanDerWaalsContact C-N 3.34Å; L534-I536 PolarHBondContact O-N 2.92Å; I536-L538 PolarHBondContact O-N 3.21Å; I536-A539 PolarHBondContact O-N 3.41Å; I536-R540 WeakPolarHBondContact O-CG 3.46Å; I536-R540 PolarHBondContact O-N 3.28Å
537A88.5Confident82.1Confident33 Ų3344.2 Ų44.227%0.27323%0.23SC..Hα-helixtrans-60.9-42.6175.400000112.1R533 L534 R540 L541R533-A537 PolarHBondContact O-N 3.06Å; L534-A537 PolarHBondContact O-N 2.86Å; A537-R540 WeakPolarHBondContact O-CB 3.47Å; A537-R540 PolarHBondContact O-N 3.34Å; A537-L541 WeakPolarHBondContact O-CG 3.42Å; A537-L541 PolarHBondContact O-N 3.34Å
538L86.1Confident80.2Confident5 Ų546.3 Ų46.33%0.02625%0.246CC..Hα-helixtrans-63.9-43.1175.2-71.5172.6000112.4L156 L157 L534 N535 I536 R540 L541 G542 Y543L156-L538 HydrophobicContact CD2-CD2 3.52Å; L156-L538 HydrophobicContact CG-CD2 4.14Å; L157-L538 HydrophobicContact CD1-CD1 4.41Å; L157-L538 HydrophobicContact CD2-CD1 3.49Å; L157-L538 VanDerWaalsContact CD2-CD1 3.49Å; L157-L538 HydrophobicContact CG-CD1 3.73Å; L534-L538 HydrophobicContact CD1-CD1 4.43Å; L534-L538 HydrophobicContact CD1-CG 4.38Å; L534-L538 HydrophobicContact CG-CD1 4.16Å; L534-L538 WeakPolarHBondContact O-CB 3.47Å; L534-L538 VanDerWaalsContact O-CG 3.3Å; L534-L538 WeakPolarHBondContact O-CG 3.49Å; L534-L538 PolarHBondContact O-N 2.86Å; N535-L538 PolarHBondContact O-N 2.97Å; I536-L538 PolarHBondContact O-N 3.21Å; L538-R540 VanDerWaalsContact C-N 3.33Å; L538-R540 PolarHBondContact O-N 2.82Å; L538-L541 PolarHBondContact O-N 3.17Å; L538-G542 PolarHBondContact O-N 3.33Å; L538-Y543 HydrophobicContact CD2-CD2 3.81Å; L538-Y543 HydrophobicContact CD2-CE2 4.39Å; L538-Y543 HydrophobicContact CD2-CG 4.2Å; L538-Y543 PolarHBondContact O-N 3.03Å
539A87.3Confident77.4Confident1 Ų153.9 Ų53.91%0.00828%0.28CS..Hα-helixtrans-66.1-33.517600000112.7R472 A475 N535 I536 G542 G544R472-A539 HydrophobicContact CG-CB 4.17Å; R472-A539 WeakPolarHBondContact CG-O 3.41Å; R472-A539 PolarHBondContact NE-O 3.22Å; A475-A539 HydrophobicContact CB-CB 3.97Å; N535-A539 WeakPolarHBondContact O-CB 3.19Å; N535-A539 PolarHBondContact O-N 3.44Å; I536-A539 PolarHBondContact O-N 3.41Å; A539-G542 PolarHBondContact O-N 3.32Å; A539-G544 WeakPolarHBondContact CA-O 3.25Å; A539-G544 WeakPolarHBondContact CB-O 3.49Å
540R87.9Confident76.8Confident74 Ų7456.6 Ų56.628%0.27929%0.294SS..Hα-helixtrans-62.8-46171.2-78.1161.453177.2-7.3112Q380 D381 C385 R472 I536 A537 L538 G542Q380-R540 PolarHBondContact O-NH1 3.14Å; D381-R540 PolarHBondContact O-NH1 2.89Å; C385-R540 HydrophobicContact CB-CG 4.48Å; C385-R540 VanDerWaalsContact SG-CD 3.5Å; C385-R540 WeakPolarHBondContact SG-CG 3.36Å; R472-R540 PolarHBondContact NH2-O 2.86Å; I536-R540 WeakPolarHBondContact O-CG 3.46Å; I536-R540 PolarHBondContact O-N 3.28Å; A537-R540 WeakPolarHBondContact O-CB 3.47Å; A537-R540 PolarHBondContact O-N 3.34Å; L538-R540 VanDerWaalsContact C-N 3.33Å; L538-R540 PolarHBondContact O-N 2.82Å; R540-G542 PolarHBondContact O-N 3.13Å
541L86Confident76.2Confident134 Ų13456.7 Ų56.770%0.70230%0.296SS*.Hα-helixtrans-70.5-13.4178.1-69.1171.1000113.7A537 L538 Y543A537-L541 WeakPolarHBondContact O-CG 3.42Å; A537-L541 PolarHBondContact O-N 3.34Å; L538-L541 PolarHBondContact O-N 3.17Å; L541-Y543 HydrophobicContact CB-CD2 3.78Å; L541-Y543 HydrophobicContact CB-CE2 3.91Å; L541-Y543 HydrophobicContact CD1-CE2 4.33Å
542G82Confident75.5Confident55 Ų5554.6 Ų54.657%0.56729%0.293SS*.THydrogen-bonded Turntrans98.610.3175.200000115.2L538 A539 R540 G544L538-G542 PolarHBondContact O-N 3.33Å; A539-G542 PolarHBondContact O-N 3.32Å; R540-G542 PolarHBondContact O-N 3.13Å; G542-G544 PolarHBondContact O-N 2.93Å; G542-G544 VanDerWaalsContact O-N 3.12Å
543Y79Confident74.6Confident88 Ų8856 Ų5635%0.34530%0.302SS..SBendtrans-7613.7174.7-66.4-83.3000113.7R153 L156 L538 L541R153-Y543 PolarHBondContact NH1-O 3.5Å; L156-Y543 HydrophobicContact CD2-CD2 4.36Å; L156-Y543 HydrophobicContact CD2-CE1 4.17Å; L156-Y543 HydrophobicContact CD2-CE2 3.9Å; L538-Y543 HydrophobicContact CD2-CD2 3.81Å; L538-Y543 HydrophobicContact CD2-CE2 4.39Å; L538-Y543 HydrophobicContact CD2-CG 4.2Å; L538-Y543 PolarHBondContact O-N 3.03Å; L541-Y543 HydrophobicContact CB-CD2 3.78Å; L541-Y543 HydrophobicContact CB-CE2 3.91Å; L541-Y543 HydrophobicContact CD1-CE2 4.33Å
544G69.8Low73.6Confident14 Ų1457.9 Ų57.914%0.14432%0.315CS..  trans74.7-173.9-177.600000115R153 D471 A539 G542R153-G544 PolarHBondContact NH1-O 2.6Å; D471-G544 VanDerWaalsContact OD2-CA 3.32Å; D471-G544 WeakPolarHBondContact OD2-CA 3.38Å; A539-G544 WeakPolarHBondContact CA-O 3.25Å; A539-G544 WeakPolarHBondContact CB-O 3.49Å; G542-G544 PolarHBondContact O-N 2.93Å; G542-G544 VanDerWaalsContact O-N 3.12Å
545A63.4Low72.6Confident7 Ų758.9 Ų58.96%0.05832%0.321CS..PPolyproline II helixtrans-72.9162.6162.200000109.7R153 D471 V474 D547R153-A545 PolarHBondContact NH1-O 2.96Å; D471-A545 HydrophobicContact CB-CB 4.17Å; D471-A545 VanDerWaalsContact CG-N 3.3Å; V474-A545 HydrophobicContact CB-CB 4.46Å; V474-A545 HydrophobicContact CG1-CB 4.17Å; A545-D547 PolarHBondContact O-N 3.2Å
546P56.3Low71.6Confident17 Ų1761.6 Ų61.611%0.1134%0.336CS..PPolyproline II helixtrans-68.2125.8159.430.2-32.2000108.7N535 L548N535-P546 HydrophobicContact CB-CG 4.2Å; P546-L548 PolarHBondContact O-N 2.98Å
547D54Low70.2Confident127 Ų12766.4 Ų66.468%0.67936%0.362SS*.PPolyproline II helixtrans-64.2119.8151-62.9-46.9000106.4A545 E549A545-D547 PolarHBondContact O-N 3.2Å; D547-E549 PolarHBondContact O-N 2.93Å
548L44.5Very low68.7Low126 Ų12669.2 Ų69.266%0.6637%0.369SS*.  trans-87.981.8178.6-75.4164.6000108.1P546P546-L548 PolarHBondContact O-N 2.98Å
549E28.4Very low67.1Low182 Ų18275 Ų7585%0.8540%0.4SS*.  trans-64.30161.7-67.5174.4125.600111.3Y66 R154 D547Y66-E549 WeakPolarHBondContact CE1-OE1 3.27Å; Y66-E549 VanDerWaalsContact CZ-OE1 3.29Å; Y66-E549 PolarHBondContact OH-OE1 2.92Å; R154-E549 IonicContact CZ-OE1 3.06Å; R154-E549 IonicContact CZ-OE2 3.37Å; R154-E549 IonicContact NE-OE2 3.67Å; R154-E549 PolarHBondContact NE-OE2 2.93Å; R154-E549 VanDerWaalsContact NE-OE2 3.15Å; R154-E549 IonicContact NH2-OE1 2.64Å; R154-E549 PolarHBondContact NH2-OE1 3.09Å; R154-E549 IonicContact NH2-OE2 3.59Å; R154-E549 PolarHBondContact NH2-OE2 3.16Å; D547-E549 PolarHBondContact O-N 2.93Å

Retrieved 549 of 549 residues in 461 ms (Link to these results)

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